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 2oqv_1_B 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 0.000 174.647 174.600 0.078 0.000 1.055 39 S CA 0.000 58.246 58.200 0.077 0.000 1.107 39 S CB 0.000 63.252 63.200 0.086 0.000 0.593 40 R N 2.686 123.235 120.500 0.082 0.000 3.141 40 R HA 0.579 4.919 4.340 -0.000 0.000 0.244 40 R C 0.457 176.809 176.300 0.086 0.000 1.161 40 R CA -0.619 55.527 56.100 0.077 0.000 1.091 40 R CB -0.256 30.086 30.300 0.071 0.000 0.957 40 R HN 0.754 nan 8.270 nan 0.000 0.512 41 K N 0.171 120.626 120.400 0.093 0.000 2.126 41 K HA 0.178 4.498 4.320 -0.000 0.000 0.257 41 K C -0.566 176.110 176.600 0.127 0.000 1.007 41 K CA -0.322 56.030 56.287 0.108 0.000 0.928 41 K CB 0.983 33.551 32.500 0.114 0.000 1.013 41 K HN 0.826 nan 8.250 nan 0.000 0.473 42 T N -1.489 113.149 114.554 0.140 0.000 2.923 42 T HA 0.226 4.576 4.350 -0.000 0.000 0.281 42 T C -0.429 174.424 174.700 0.255 0.000 0.995 42 T CA -0.704 61.497 62.100 0.167 0.000 0.985 42 T CB 0.376 69.329 68.868 0.143 0.000 1.114 42 T HN 0.477 nan 8.240 nan 0.000 0.548 43 Y N 2.581 122.981 120.300 0.167 0.000 2.539 43 Y HA 0.369 4.919 4.550 -0.000 0.000 0.352 43 Y C 0.954 177.020 175.900 0.276 0.000 1.004 43 Y CA -0.410 57.836 58.100 0.244 0.000 1.278 43 Y CB -0.342 38.237 38.460 0.199 0.000 1.136 43 Y HN 0.978 nan 8.280 nan 0.000 0.528 44 T N 2.381 116.914 114.554 -0.035 0.000 2.881 44 T HA 0.156 4.506 4.350 -0.000 0.000 0.278 44 T C 1.008 175.588 174.700 -0.200 0.000 0.982 44 T CA -0.722 61.404 62.100 0.043 0.000 0.989 44 T CB 1.261 70.122 68.868 -0.011 0.000 1.058 44 T HN 0.675 nan 8.240 nan 0.000 0.529 45 L N 1.310 122.273 121.223 -0.433 0.000 1.970 45 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 45 L C 2.738 179.403 176.870 -0.342 0.000 1.071 45 L CA 2.413 56.799 54.840 -0.756 0.000 0.751 45 L CB -1.621 39.855 42.059 -0.972 0.000 0.889 45 L HN 1.001 nan 8.230 nan 0.000 0.432 46 T N -0.021 114.377 114.554 -0.260 0.000 2.624 46 T HA -0.299 4.051 4.350 -0.000 0.000 0.266 46 T C 1.507 176.072 174.700 -0.225 0.000 1.050 46 T CA 1.909 63.890 62.100 -0.198 0.000 1.163 46 T CB -0.632 68.147 68.868 -0.149 0.000 0.861 46 T HN 0.485 nan 8.240 nan 0.000 0.443 47 D N -0.207 120.012 120.400 -0.301 0.000 2.133 47 D HA -0.137 4.503 4.640 -0.000 0.000 0.192 47 D C 1.775 177.927 176.300 -0.247 0.000 1.001 47 D CA 1.431 55.187 54.000 -0.407 0.000 0.844 47 D CB -0.525 39.851 40.800 -0.707 0.000 0.944 47 D HN 0.500 nan 8.370 nan 0.000 0.447 48 Y N 1.256 121.351 120.300 -0.342 0.000 2.242 48 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 48 Y C 2.171 178.047 175.900 -0.040 0.000 1.137 48 Y CA 1.054 59.112 58.100 -0.070 0.000 1.181 48 Y CB -0.426 38.042 38.460 0.013 0.000 0.989 48 Y HN -0.068 nan 8.280 nan 0.000 0.527 49 L N -0.339 120.696 121.223 -0.313 0.000 2.162 49 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 49 L C 2.068 178.830 176.870 -0.181 0.000 1.086 49 L CA 1.013 55.656 54.840 -0.328 0.000 0.778 49 L CB -0.375 41.532 42.059 -0.254 0.000 0.928 49 L HN -0.034 nan 8.230 nan 0.000 0.446 50 K N -0.081 120.228 120.400 -0.152 0.000 2.404 50 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 50 K C 0.192 176.734 176.600 -0.097 0.000 1.023 50 K CA -0.040 56.180 56.287 -0.112 0.000 1.094 50 K CB -0.020 32.412 32.500 -0.114 0.000 0.841 50 K HN 0.263 nan 8.250 nan 0.000 0.523 51 N N 2.008 120.653 118.700 -0.091 0.000 2.738 51 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 51 N C 0.568 176.053 175.510 -0.041 0.000 1.047 51 N CA 0.756 53.792 53.050 -0.023 0.000 0.707 51 N CB -0.572 37.909 38.487 -0.010 0.000 0.937 51 N HN 0.374 nan 8.380 nan 0.000 0.545 52 T N -3.032 111.426 114.554 -0.159 0.000 2.867 52 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 52 T C 0.749 175.330 174.700 -0.198 0.000 1.057 52 T CA 1.114 63.053 62.100 -0.268 0.000 1.136 52 T CB -0.195 68.350 68.868 -0.537 0.000 0.874 52 T HN 0.311 nan 8.240 nan 0.000 0.466 53 Y N 2.024 122.414 120.300 0.150 0.000 2.595 53 Y HA 0.666 5.216 4.550 -0.000 0.000 0.336 53 Y C 0.492 176.493 175.900 0.168 0.000 0.996 53 Y CA -2.089 56.118 58.100 0.178 0.000 1.260 53 Y CB 0.194 38.809 38.460 0.258 0.000 1.108 53 Y HN -0.051 nan 8.280 nan 0.000 0.509 54 R N 2.454 123.106 120.500 0.253 0.000 2.390 54 R HA 0.392 4.732 4.340 -0.000 0.000 0.291 54 R C -0.905 175.509 176.300 0.189 0.000 1.070 54 R CA -0.178 56.030 56.100 0.180 0.000 1.014 54 R CB 0.375 30.748 30.300 0.122 0.000 1.007 54 R HN 0.710 nan 8.270 nan 0.000 0.466 55 L N 4.679 126.011 121.223 0.181 0.000 2.265 55 L HA 0.321 4.660 4.340 -0.000 0.000 0.288 55 L C 0.133 177.089 176.870 0.143 0.000 1.058 55 L CA -0.338 54.611 54.840 0.181 0.000 0.809 55 L CB 1.137 43.324 42.059 0.213 0.000 1.179 55 L HN 0.508 nan 8.230 nan 0.000 0.429 56 K N 4.618 125.100 120.400 0.137 0.000 2.218 56 K HA 0.528 4.848 4.320 -0.000 0.000 0.276 56 K C -0.716 175.956 176.600 0.120 0.000 1.022 56 K CA -0.398 55.954 56.287 0.109 0.000 0.946 56 K CB 1.159 33.720 32.500 0.102 0.000 1.000 56 K HN 0.370 nan 8.250 nan 0.000 0.468 57 L N 0.777 121.998 121.223 -0.003 0.000 2.260 57 L HA 0.517 4.857 4.340 -0.000 0.000 0.265 57 L C -0.758 175.841 176.870 -0.451 0.000 1.015 57 L CA -1.114 53.575 54.840 -0.253 0.000 0.826 57 L CB 0.520 42.506 42.059 -0.121 0.000 1.373 57 L HN 0.469 nan 8.230 nan 0.000 0.450 58 Y N -0.011 119.668 120.300 -1.035 0.000 2.592 58 Y HA 0.383 4.933 4.550 -0.000 0.000 0.354 58 Y C -0.476 175.207 175.900 -0.363 0.000 1.063 58 Y CA -0.432 57.327 58.100 -0.569 0.000 1.205 58 Y CB 1.253 39.288 38.460 -0.708 0.000 1.106 58 Y HN 0.534 nan 8.280 nan 0.000 0.649 59 S N 5.595 121.154 115.700 -0.234 0.000 2.423 59 S HA 0.345 4.815 4.470 -0.000 0.000 0.302 59 S C -0.559 173.892 174.600 -0.249 0.000 1.143 59 S CA -0.290 57.793 58.200 -0.195 0.000 1.080 59 S CB -0.716 62.387 63.200 -0.161 0.000 1.081 59 S HN 0.538 nan 8.310 nan 0.000 0.522 60 L N 1.878 122.928 121.223 -0.288 0.000 2.319 60 L HA 0.783 5.123 4.340 -0.000 0.000 0.267 60 L C -0.130 176.549 176.870 -0.318 0.000 1.011 60 L CA -0.794 53.799 54.840 -0.413 0.000 0.818 60 L CB 0.933 42.419 42.059 -0.954 0.000 1.316 60 L HN 0.203 nan 8.230 nan 0.000 0.432 61 R N 1.248 121.612 120.500 -0.227 0.000 2.483 61 R HA 0.318 4.658 4.340 -0.000 0.000 0.303 61 R C -1.815 174.481 176.300 -0.005 0.000 0.987 61 R CA -0.426 55.620 56.100 -0.089 0.000 0.881 61 R CB 1.208 31.512 30.300 0.007 0.000 1.177 61 R HN 0.856 nan 8.270 nan 0.000 0.451 62 W N 5.553 126.940 121.300 0.143 0.000 2.469 62 W HA 0.096 4.756 4.660 -0.000 0.000 0.321 62 W C 1.826 178.425 176.519 0.134 0.000 1.415 62 W CA -0.393 57.059 57.345 0.179 0.000 1.308 62 W CB 0.424 29.991 29.460 0.178 0.000 1.368 62 W HN 0.591 nan 8.180 nan 0.000 0.546 63 I N 0.795 121.582 120.570 0.362 0.000 3.883 63 I HA 0.229 4.399 4.170 -0.000 0.000 0.326 63 I C 0.769 177.019 176.117 0.221 0.000 1.283 63 I CA 0.157 61.584 61.300 0.212 0.000 1.161 63 I CB -0.211 37.836 38.000 0.078 0.000 1.012 63 I HN 0.296 nan 8.210 nan 0.000 0.421 64 S N -0.511 115.370 115.700 0.302 0.000 2.930 64 S HA 0.257 4.727 4.470 -0.000 0.000 0.306 64 S C -0.207 174.528 174.600 0.225 0.000 1.238 64 S CA -0.155 58.190 58.200 0.242 0.000 1.000 64 S CB 1.198 64.535 63.200 0.228 0.000 1.342 64 S HN 0.077 nan 8.310 nan 0.000 0.575 65 D N -0.889 119.638 120.400 0.212 0.000 2.360 65 D HA 0.326 4.966 4.640 -0.000 0.000 0.210 65 D C 0.748 177.046 176.300 -0.003 0.000 1.047 65 D CA 0.671 54.699 54.000 0.047 0.000 0.854 65 D CB 0.051 40.871 40.800 0.034 0.000 0.936 65 D HN 0.588 nan 8.370 nan 0.000 0.514 66 H N -1.200 117.987 119.070 0.196 0.000 3.058 66 H HA 0.448 5.004 4.556 -0.000 0.000 0.266 66 H C -0.311 175.103 175.328 0.143 0.000 1.135 66 H CA -0.076 56.072 56.048 0.167 0.000 1.174 66 H CB 0.995 30.846 29.762 0.147 0.000 1.581 66 H HN -0.039 nan 8.280 nan 0.000 0.553 67 E N -0.089 120.347 120.200 0.394 0.000 2.390 67 E HA 0.365 4.715 4.350 -0.000 0.000 0.277 67 E C -1.576 175.305 176.600 0.468 0.000 0.939 67 E CA -1.161 55.424 56.400 0.309 0.000 0.769 67 E CB 2.858 32.675 29.700 0.195 0.000 1.251 67 E HN 0.154 nan 8.360 nan 0.000 0.450 68 Y N -0.998 119.404 120.300 0.169 0.000 2.655 68 Y HA 0.692 5.242 4.550 -0.000 0.000 0.336 68 Y C -1.840 174.060 175.900 -0.000 0.000 1.154 68 Y CA -1.409 56.667 58.100 -0.039 0.000 1.055 68 Y CB 0.859 38.986 38.460 -0.555 0.000 1.295 68 Y HN 0.355 nan 8.280 nan 0.000 0.465 69 L N 2.672 124.021 121.223 0.210 0.000 2.307 69 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 69 L C -1.281 175.739 176.870 0.250 0.000 1.023 69 L CA -0.943 53.985 54.840 0.147 0.000 0.810 69 L CB 1.311 43.310 42.059 -0.100 0.000 1.231 69 L HN 0.689 nan 8.230 nan 0.000 0.423 70 Y N 4.331 124.700 120.300 0.114 0.000 2.335 70 Y HA 0.349 4.899 4.550 -0.000 0.000 0.339 70 Y C 0.415 176.238 175.900 -0.128 0.000 0.987 70 Y CA -0.860 57.141 58.100 -0.164 0.000 1.140 70 Y CB 0.720 38.936 38.460 -0.407 0.000 1.173 70 Y HN 0.508 nan 8.280 nan 0.000 0.486 71 K N 3.464 123.481 120.400 -0.638 0.000 2.706 71 K HA 0.199 4.519 4.320 -0.000 0.000 0.290 71 K C -0.234 175.928 176.600 -0.731 0.000 1.063 71 K CA -0.222 55.715 56.287 -0.583 0.000 0.967 71 K CB 0.243 32.455 32.500 -0.479 0.000 1.157 71 K HN 0.771 nan 8.250 nan 0.000 0.476 72 Q N -0.841 118.661 119.800 -0.497 0.000 2.509 72 Q HA 0.076 4.416 4.340 -0.000 0.000 0.358 72 Q C 0.602 176.470 176.000 -0.220 0.000 0.631 72 Q CA -0.585 55.009 55.803 -0.348 0.000 1.017 72 Q CB 0.582 29.199 28.738 -0.202 0.000 1.108 72 Q HN 0.501 nan 8.270 nan 0.000 0.479 73 E N 0.019 120.141 120.200 -0.130 0.000 2.399 73 E HA 0.087 4.437 4.350 -0.000 0.000 0.205 73 E C 0.623 177.186 176.600 -0.061 0.000 0.906 73 E CA 0.236 56.588 56.400 -0.081 0.000 0.998 73 E CB 0.484 30.157 29.700 -0.046 0.000 1.002 73 E HN 0.260 nan 8.360 nan 0.000 0.501 74 N N 1.525 120.188 118.700 -0.062 0.000 2.242 74 N HA -0.030 4.710 4.740 -0.000 0.000 0.198 74 N C -0.074 175.397 175.510 -0.064 0.000 1.042 74 N CA 0.917 53.942 53.050 -0.041 0.000 0.964 74 N CB 0.045 38.519 38.487 -0.022 0.000 1.156 74 N HN 0.055 nan 8.380 nan 0.000 0.503 75 N N -0.303 118.357 118.700 -0.066 0.000 2.258 75 N HA 0.365 5.105 4.740 -0.000 0.000 0.299 75 N C -1.174 174.300 175.510 -0.060 0.000 1.047 75 N CA -0.400 52.617 53.050 -0.056 0.000 0.814 75 N CB 1.329 39.806 38.487 -0.017 0.000 1.413 75 N HN 0.127 nan 8.380 nan 0.000 0.478 76 I N 1.466 121.998 120.570 -0.062 0.000 2.587 76 I HA 0.043 4.213 4.170 -0.000 0.000 0.284 76 I C -0.174 176.018 176.117 0.126 0.000 1.134 76 I CA 0.048 61.338 61.300 -0.017 0.000 1.410 76 I CB 0.102 38.093 38.000 -0.014 0.000 1.392 76 I HN 0.306 nan 8.210 nan 0.000 0.545 77 L N 7.060 128.376 121.223 0.154 0.000 2.322 77 L HA 0.602 4.942 4.340 -0.000 0.000 0.269 77 L C -0.322 176.682 176.870 0.223 0.000 1.012 77 L CA -0.792 54.160 54.840 0.187 0.000 0.815 77 L CB 1.930 44.115 42.059 0.211 0.000 1.295 77 L HN 0.282 nan 8.230 nan 0.000 0.438 78 V N 1.762 121.745 119.914 0.114 0.000 2.513 78 V HA 0.529 4.649 4.120 -0.000 0.000 0.299 78 V C -1.047 174.970 176.094 -0.128 0.000 1.035 78 V CA -0.306 62.037 62.300 0.072 0.000 0.889 78 V CB 1.463 33.362 31.823 0.127 0.000 0.988 78 V HN 0.469 nan 8.190 nan 0.000 0.440 79 F N 5.079 124.793 119.950 -0.394 0.000 2.508 79 F HA 0.498 5.025 4.527 -0.000 0.000 0.325 79 F C 0.435 175.987 175.800 -0.415 0.000 1.090 79 F CA -0.563 57.123 58.000 -0.523 0.000 0.945 79 F CB 1.750 40.101 39.000 -1.083 0.000 1.156 79 F HN 0.450 nan 8.300 nan 0.000 0.463 80 N N 1.883 120.532 118.700 -0.085 0.000 2.422 80 N HA 0.283 5.023 4.740 -0.000 0.000 0.266 80 N C 0.402 175.877 175.510 -0.060 0.000 1.007 80 N CA 0.106 53.143 53.050 -0.023 0.000 0.941 80 N CB 1.892 40.410 38.487 0.051 0.000 1.115 80 N HN 0.830 nan 8.380 nan 0.000 0.492 81 A N 3.726 126.450 122.820 -0.160 0.000 1.930 81 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 81 A C 1.887 179.233 177.584 -0.396 0.000 1.175 81 A CA 1.326 53.163 52.037 -0.333 0.000 0.627 81 A CB -0.391 18.126 19.000 -0.806 0.000 0.815 81 A HN 0.801 nan 8.150 nan 0.000 0.443 82 E N -1.231 118.722 120.200 -0.412 0.000 2.049 82 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 82 E C 1.393 177.741 176.600 -0.421 0.000 1.007 82 E CA 2.156 58.287 56.400 -0.448 0.000 0.809 82 E CB -0.256 28.953 29.700 -0.818 0.000 0.749 82 E HN 0.747 nan 8.360 nan 0.000 0.450 83 Y N -3.181 117.126 120.300 0.013 0.000 2.607 83 Y HA 0.379 4.929 4.550 -0.000 0.000 0.276 83 Y C 1.682 177.586 175.900 0.007 0.000 1.117 83 Y CA 0.405 58.512 58.100 0.012 0.000 1.273 83 Y CB 0.929 39.395 38.460 0.009 0.000 1.282 83 Y HN 0.180 nan 8.280 nan 0.000 0.514 84 G N 0.407 109.294 108.800 0.146 0.000 2.218 84 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 84 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 84 G C 0.210 175.146 174.900 0.059 0.000 0.994 84 G CA -0.050 45.130 45.100 0.134 0.000 0.637 84 G HN 0.427 nan 8.290 nan 0.000 0.505 85 N N 0.854 119.561 118.700 0.012 0.000 2.267 85 N HA 0.377 5.117 4.740 -0.000 0.000 0.226 85 N C -0.035 175.305 175.510 -0.284 0.000 1.314 85 N CA 1.255 54.246 53.050 -0.099 0.000 0.887 85 N CB 0.845 39.297 38.487 -0.058 0.000 1.120 85 N HN 1.233 nan 8.380 nan 0.000 0.440 86 S N -1.674 113.811 115.700 -0.358 0.000 2.333 86 S HA 0.202 4.672 4.470 -0.000 0.000 0.208 86 S C -1.217 173.177 174.600 -0.342 0.000 0.911 86 S CA -1.034 56.824 58.200 -0.570 0.000 1.075 86 S CB -0.522 61.841 63.200 -1.395 0.000 1.293 86 S HN 0.541 nan 8.310 nan 0.000 0.396 87 S N 2.267 117.844 115.700 -0.204 0.000 2.549 87 S HA 0.380 4.850 4.470 -0.000 0.000 0.279 87 S C 0.692 175.240 174.600 -0.086 0.000 1.321 87 S CA -0.712 57.416 58.200 -0.121 0.000 1.054 87 S CB 0.782 63.935 63.200 -0.078 0.000 0.899 87 S HN 0.769 nan 8.310 nan 0.000 0.497 88 V N 4.646 124.522 119.914 -0.063 0.000 2.557 88 V HA -0.053 4.067 4.120 -0.000 0.000 0.301 88 V C 1.023 177.131 176.094 0.022 0.000 1.026 88 V CA 0.296 62.588 62.300 -0.014 0.000 1.137 88 V CB -0.759 31.049 31.823 -0.026 0.000 0.917 88 V HN 0.928 nan 8.190 nan 0.000 0.484 89 F N 6.283 126.209 119.950 -0.040 0.000 2.053 89 F HA 0.132 4.659 4.527 -0.000 0.000 0.292 89 F C 0.712 176.503 175.800 -0.015 0.000 1.125 89 F CA 1.107 59.094 58.000 -0.021 0.000 1.193 89 F CB 0.340 39.340 39.000 0.001 0.000 0.996 89 F HN 0.393 nan 8.300 nan 0.000 0.470 90 L N 0.361 121.617 121.223 0.056 0.000 2.438 90 L HA 0.452 4.792 4.340 -0.000 0.000 0.270 90 L C -0.826 176.033 176.870 -0.019 0.000 0.972 90 L CA -1.552 53.246 54.840 -0.071 0.000 0.831 90 L CB 0.156 42.166 42.059 -0.080 0.000 1.273 90 L HN 0.001 nan 8.230 nan 0.000 0.405 91 E N 2.498 122.654 120.200 -0.073 0.000 2.534 91 E HA -0.049 4.301 4.350 -0.000 0.000 0.264 91 E C 1.321 177.890 176.600 -0.053 0.000 0.981 91 E CA 0.962 57.324 56.400 -0.064 0.000 0.948 91 E CB 0.622 30.271 29.700 -0.085 0.000 0.934 91 E HN 0.804 nan 8.360 nan 0.000 0.459 92 N N 1.892 120.575 118.700 -0.030 0.000 2.443 92 N HA -0.208 4.532 4.740 -0.000 0.000 0.184 92 N C 1.140 176.646 175.510 -0.006 0.000 1.037 92 N CA 1.181 54.229 53.050 -0.004 0.000 0.896 92 N CB -0.106 38.378 38.487 -0.005 0.000 0.959 92 N HN 0.386 nan 8.380 nan 0.000 0.442 93 S N 0.355 116.027 115.700 -0.047 0.000 2.428 93 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 93 S C 1.793 176.314 174.600 -0.131 0.000 1.014 93 S CA 1.047 59.211 58.200 -0.061 0.000 0.957 93 S CB -0.764 62.399 63.200 -0.062 0.000 0.784 93 S HN 0.267 nan 8.310 nan 0.000 0.499 94 T N 1.356 115.761 114.554 -0.248 0.000 2.721 94 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 94 T C 0.353 174.573 174.700 -0.800 0.000 1.038 94 T CA 1.578 63.321 62.100 -0.594 0.000 1.145 94 T CB -0.457 67.894 68.868 -0.863 0.000 0.858 94 T HN 0.591 nan 8.240 nan 0.000 0.459 95 F N 0.582 120.502 119.950 -0.050 0.000 2.814 95 F HA 0.294 4.821 4.527 -0.000 0.000 0.326 95 F C 1.166 177.003 175.800 0.062 0.000 1.159 95 F CA -1.361 56.640 58.000 0.001 0.000 1.234 95 F CB 0.291 39.232 39.000 -0.098 0.000 1.016 95 F HN 0.102 nan 8.300 nan 0.000 0.510 96 D N 0.780 121.266 120.400 0.143 0.000 2.123 96 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 96 D C 1.187 177.547 176.300 0.100 0.000 0.976 96 D CA 1.034 55.099 54.000 0.107 0.000 0.831 96 D CB -0.167 40.662 40.800 0.049 0.000 0.974 96 D HN 0.507 nan 8.370 nan 0.000 0.469 97 E N 0.022 120.274 120.200 0.086 0.000 2.338 97 E HA 0.048 4.397 4.350 -0.000 0.000 0.231 97 E C 0.682 177.362 176.600 0.134 0.000 1.231 97 E CA -0.451 55.988 56.400 0.065 0.000 1.490 97 E CB -0.549 29.162 29.700 0.019 0.000 1.360 97 E HN 0.124 nan 8.360 nan 0.000 0.435 98 F N 0.959 120.953 119.950 0.074 0.000 2.335 98 F HA 0.296 4.823 4.527 -0.000 0.000 0.296 98 F C 1.674 177.454 175.800 -0.032 0.000 1.091 98 F CA 1.466 59.529 58.000 0.105 0.000 1.399 98 F CB 0.429 39.561 39.000 0.220 0.000 1.067 98 F HN 0.331 nan 8.300 nan 0.000 0.520 99 G N -0.308 108.350 108.800 -0.238 0.000 2.163 99 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.213 99 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.213 99 G C -0.153 174.285 174.900 -0.770 0.000 0.991 99 G CA 0.057 44.852 45.100 -0.509 0.000 0.653 99 G HN 0.560 nan 8.290 nan 0.000 0.518 100 H N -0.433 118.532 119.070 -0.175 0.000 2.996 100 H HA 0.534 5.089 4.556 -0.000 0.000 0.368 100 H C -0.170 175.190 175.328 0.052 0.000 1.185 100 H CA -0.048 55.951 56.048 -0.081 0.000 1.160 100 H CB 1.500 31.115 29.762 -0.245 0.000 1.820 100 H HN 0.298 nan 8.280 nan 0.000 0.547 101 S N 2.159 117.957 115.700 0.164 0.000 2.544 101 S HA 0.126 4.596 4.470 -0.000 0.000 0.290 101 S C 0.171 174.820 174.600 0.081 0.000 1.276 101 S CA -0.419 57.843 58.200 0.102 0.000 1.075 101 S CB -0.616 62.628 63.200 0.073 0.000 0.849 101 S HN 0.408 nan 8.310 nan 0.000 0.494 102 I N 5.462 126.022 120.570 -0.016 0.000 2.337 102 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 102 I C 1.177 177.188 176.117 -0.177 0.000 1.041 102 I CA -0.513 60.675 61.300 -0.186 0.000 1.199 102 I CB 0.936 38.632 38.000 -0.508 0.000 1.370 102 I HN 0.732 nan 8.210 nan 0.000 0.470 103 N N 3.501 122.116 118.700 -0.142 0.000 2.223 103 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 103 N C -0.115 175.336 175.510 -0.098 0.000 1.016 103 N CA 1.379 54.346 53.050 -0.139 0.000 0.863 103 N CB 0.309 38.677 38.487 -0.198 0.000 0.983 103 N HN 0.687 nan 8.380 nan 0.000 0.429 104 D N -2.893 117.417 120.400 -0.151 0.000 2.663 104 D HA 0.249 4.889 4.640 -0.000 0.000 0.233 104 D C -1.788 174.444 176.300 -0.113 0.000 1.240 104 D CA -0.543 53.458 54.000 0.002 0.000 0.774 104 D CB 0.560 41.388 40.800 0.046 0.000 1.443 104 D HN -0.071 nan 8.370 nan 0.000 0.441 105 Y N 0.083 120.396 120.300 0.022 0.000 2.598 105 Y HA 0.744 5.293 4.550 -0.000 0.000 0.340 105 Y C -0.078 175.889 175.900 0.113 0.000 1.038 105 Y CA -0.996 57.134 58.100 0.049 0.000 1.100 105 Y CB 2.565 41.041 38.460 0.025 0.000 1.281 105 Y HN 0.198 nan 8.280 nan 0.000 0.488 106 S N 1.638 117.539 115.700 0.335 0.000 2.325 106 S HA 0.425 4.895 4.470 -0.000 0.000 0.228 106 S C -1.485 173.381 174.600 0.442 0.000 0.942 106 S CA -0.426 57.985 58.200 0.352 0.000 1.070 106 S CB -0.269 63.141 63.200 0.351 0.000 1.232 106 S HN 0.555 nan 8.310 nan 0.000 0.405 107 I N 4.270 124.969 120.570 0.215 0.000 2.441 107 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 107 I C 1.061 176.991 176.117 -0.310 0.000 1.049 107 I CA -0.113 61.215 61.300 0.047 0.000 1.381 107 I CB 1.498 39.495 38.000 -0.003 0.000 1.409 107 I HN 0.704 nan 8.210 nan 0.000 0.523 108 S N 6.680 121.853 115.700 -0.877 0.000 2.563 108 S HA 0.137 4.607 4.470 -0.000 0.000 0.284 108 S C -1.809 172.510 174.600 -0.469 0.000 1.331 108 S CA -0.886 56.509 58.200 -1.341 0.000 1.047 108 S CB 0.595 62.829 63.200 -1.610 0.000 0.859 108 S HN 0.440 nan 8.310 nan 0.000 0.514 109 P HA -0.010 nan 4.420 nan 0.000 0.217 109 P C 0.969 178.240 177.300 -0.048 0.000 1.151 109 P CA 0.812 63.852 63.100 -0.099 0.000 0.828 109 P CB -0.083 31.587 31.700 -0.049 0.000 0.788 110 D N -0.490 119.884 120.400 -0.044 0.000 2.244 110 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 110 D C 1.757 178.061 176.300 0.006 0.000 1.006 110 D CA 2.242 56.254 54.000 0.020 0.000 0.888 110 D CB -0.804 40.059 40.800 0.105 0.000 0.912 110 D HN 0.272 nan 8.370 nan 0.000 0.452 111 G N -0.401 108.388 108.800 -0.018 0.000 2.176 111 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.253 111 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.253 111 G C 0.959 175.863 174.900 0.007 0.000 0.979 111 G CA 0.620 45.744 45.100 0.040 0.000 0.641 111 G HN 0.440 nan 8.290 nan 0.000 0.530 112 Q N -1.336 118.413 119.800 -0.084 0.000 2.398 112 Q HA 0.412 4.752 4.340 -0.000 0.000 0.204 112 Q C 0.096 175.724 176.000 -0.619 0.000 0.932 112 Q CA 0.591 56.197 55.803 -0.328 0.000 0.916 112 Q CB 0.381 28.902 28.738 -0.361 0.000 1.024 112 Q HN 0.568 nan 8.270 nan 0.000 0.504 113 F N -0.370 119.513 119.950 -0.112 0.000 2.613 113 F HA 0.477 5.004 4.527 -0.000 0.000 0.310 113 F C -0.663 175.199 175.800 0.104 0.000 1.085 113 F CA -1.166 56.837 58.000 0.006 0.000 0.945 113 F CB 1.571 40.591 39.000 0.033 0.000 1.298 113 F HN -0.246 nan 8.300 nan 0.000 0.455 114 I N 3.106 123.974 120.570 0.497 0.000 2.404 114 I HA 0.382 4.552 4.170 -0.000 0.000 0.293 114 I C -1.045 175.402 176.117 0.551 0.000 0.992 114 I CA -0.964 60.629 61.300 0.489 0.000 1.149 114 I CB 1.669 39.947 38.000 0.463 0.000 1.315 114 I HN 0.293 nan 8.210 nan 0.000 0.446 115 L N 7.183 128.756 121.223 0.583 0.000 2.350 115 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 115 L C -0.707 176.260 176.870 0.161 0.000 1.099 115 L CA 0.030 55.085 54.840 0.358 0.000 0.808 115 L CB 0.918 43.116 42.059 0.232 0.000 1.149 115 L HN 0.451 nan 8.230 nan 0.000 0.442 116 L N 4.645 125.894 121.223 0.043 0.000 2.345 116 L HA 0.458 4.798 4.340 -0.000 0.000 0.274 116 L C -0.229 176.581 176.870 -0.099 0.000 0.999 116 L CA -0.423 54.282 54.840 -0.224 0.000 0.849 116 L CB 1.453 43.189 42.059 -0.539 0.000 1.220 116 L HN 0.591 nan 8.230 nan 0.000 0.422 117 E N 3.917 124.023 120.200 -0.156 0.000 2.259 117 E HA 0.415 4.765 4.350 -0.000 0.000 0.281 117 E C -1.413 175.077 176.600 -0.182 0.000 1.027 117 E CA -0.378 55.887 56.400 -0.225 0.000 0.838 117 E CB 0.856 30.508 29.700 -0.080 0.000 1.066 117 E HN 0.445 nan 8.360 nan 0.000 0.401 118 Y N 1.850 121.909 120.300 -0.402 0.000 2.744 118 Y HA 0.418 4.967 4.550 -0.000 0.000 0.330 118 Y C -0.284 175.477 175.900 -0.233 0.000 1.263 118 Y CA -1.477 56.469 58.100 -0.257 0.000 1.065 118 Y CB 0.446 38.800 38.460 -0.176 0.000 1.306 118 Y HN 0.552 nan 8.280 nan 0.000 0.459 119 N N -0.566 118.106 118.700 -0.046 0.000 2.725 119 N HA -0.301 4.439 4.740 -0.000 0.000 0.249 119 N C -0.993 174.478 175.510 -0.066 0.000 1.103 119 N CA 1.039 54.031 53.050 -0.097 0.000 0.707 119 N CB -1.776 36.537 38.487 -0.290 0.000 1.043 119 N HN 0.876 nan 8.380 nan 0.000 0.553 120 Y N -0.226 119.967 120.300 -0.178 0.000 2.632 120 Y HA 0.302 4.852 4.550 -0.000 0.000 0.329 120 Y C -0.048 175.784 175.900 -0.114 0.000 1.174 120 Y CA -0.249 57.733 58.100 -0.196 0.000 1.469 120 Y CB 0.633 38.912 38.460 -0.301 0.000 1.242 120 Y HN -0.045 nan 8.280 nan 0.000 0.540 121 V N 8.390 128.045 119.914 -0.431 0.000 2.340 121 V HA 0.140 4.260 4.120 -0.000 0.000 0.277 121 V C -0.240 175.517 176.094 -0.560 0.000 1.017 121 V CA -1.200 60.889 62.300 -0.353 0.000 0.820 121 V CB 0.960 32.681 31.823 -0.169 0.000 1.028 121 V HN 0.779 nan 8.190 nan 0.000 0.436 122 K N 3.869 123.873 120.400 -0.660 0.000 2.511 122 K HA 0.041 4.361 4.320 -0.000 0.000 0.280 122 K C 0.544 176.977 176.600 -0.278 0.000 1.008 122 K CA 0.768 56.813 56.287 -0.402 0.000 1.050 122 K CB 0.814 33.300 32.500 -0.024 0.000 0.889 122 K HN 0.763 nan 8.250 nan 0.000 0.484 123 Q N 3.202 122.808 119.800 -0.323 0.000 2.729 123 Q HA 0.184 4.524 4.340 -0.000 0.000 0.228 123 Q C -0.003 175.782 176.000 -0.359 0.000 1.021 123 Q CA -0.361 55.079 55.803 -0.605 0.000 0.561 123 Q CB 0.058 28.251 28.738 -0.908 0.000 3.921 123 Q HN 0.731 nan 8.270 nan 0.000 0.430 124 W N 0.420 121.697 121.300 -0.037 0.000 1.833 124 W HA 0.303 4.963 4.660 -0.000 0.000 0.593 124 W C 1.821 178.319 176.519 -0.034 0.000 1.936 124 W CA -0.737 56.615 57.345 0.010 0.000 2.192 124 W CB -0.077 29.341 29.460 -0.070 0.000 2.633 124 W HN 0.341 nan 8.180 nan 0.000 0.783 125 R N -0.523 120.094 120.500 0.194 0.000 2.083 125 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 125 R C 1.768 177.934 176.300 -0.224 0.000 1.137 125 R CA 2.043 58.083 56.100 -0.100 0.000 0.951 125 R CB -0.495 29.621 30.300 -0.307 0.000 0.851 125 R HN 0.526 nan 8.270 nan 0.000 0.434 126 H N -0.969 118.171 119.070 0.117 0.000 2.594 126 H HA 0.147 4.702 4.556 -0.000 0.000 0.274 126 H C 0.665 176.029 175.328 0.059 0.000 0.982 126 H CA 0.501 56.627 56.048 0.130 0.000 1.228 126 H CB 0.080 29.901 29.762 0.099 0.000 1.447 126 H HN 0.179 nan 8.280 nan 0.000 0.485 127 S N 1.632 117.283 115.700 -0.082 0.000 2.568 127 S HA 0.243 4.713 4.470 -0.000 0.000 0.282 127 S C -0.248 174.136 174.600 -0.361 0.000 1.338 127 S CA -0.324 57.477 58.200 -0.666 0.000 1.045 127 S CB 0.189 62.587 63.200 -1.338 0.000 0.873 127 S HN 0.461 nan 8.310 nan 0.000 0.516 128 Y N -2.212 117.865 120.300 -0.371 0.000 2.702 128 Y HA 0.662 5.211 4.550 -0.000 0.000 0.336 128 Y C -0.581 175.219 175.900 -0.166 0.000 1.203 128 Y CA -0.926 56.955 58.100 -0.366 0.000 1.072 128 Y CB 0.379 38.525 38.460 -0.522 0.000 1.327 128 Y HN 0.853 nan 8.280 nan 0.000 0.456 129 T N -0.150 114.428 114.554 0.039 0.000 2.948 129 T HA 1.017 5.367 4.350 -0.000 0.000 0.285 129 T C -0.297 174.491 174.700 0.148 0.000 1.019 129 T CA -0.144 62.015 62.100 0.097 0.000 1.013 129 T CB 1.718 70.585 68.868 -0.001 0.000 1.117 129 T HN 1.848 nan 8.240 nan 0.000 0.533 130 A N 0.465 123.312 122.820 0.046 0.000 2.564 130 A HA 0.745 5.065 4.320 -0.000 0.000 0.291 130 A C -0.560 176.725 177.584 -0.499 0.000 1.102 130 A CA -0.958 50.935 52.037 -0.240 0.000 0.660 130 A CB 0.997 19.825 19.000 -0.287 0.000 1.283 130 A HN 0.852 nan 8.150 nan 0.000 0.430 131 S N -1.064 114.098 115.700 -0.896 0.000 2.718 131 S HA 0.858 5.328 4.470 -0.000 0.000 0.300 131 S C -1.586 172.239 174.600 -1.292 0.000 1.117 131 S CA -0.156 57.418 58.200 -1.043 0.000 1.002 131 S CB 0.881 63.255 63.200 -1.377 0.000 1.092 131 S HN 0.502 nan 8.310 nan 0.000 0.542 132 Y N 0.105 120.160 120.300 -0.408 0.000 2.399 132 Y HA 0.347 4.897 4.550 -0.000 0.000 0.327 132 Y C -0.769 175.132 175.900 0.002 0.000 1.111 132 Y CA -0.898 57.102 58.100 -0.167 0.000 1.047 132 Y CB 1.679 39.991 38.460 -0.246 0.000 1.259 132 Y HN 0.530 nan 8.280 nan 0.000 0.434 133 D N 3.529 124.078 120.400 0.250 0.000 2.433 133 D HA 0.543 5.183 4.640 -0.000 0.000 0.236 133 D C -0.784 175.617 176.300 0.169 0.000 1.026 133 D CA -0.459 53.666 54.000 0.208 0.000 0.884 133 D CB 3.055 44.032 40.800 0.294 0.000 1.384 133 D HN 0.392 nan 8.370 nan 0.000 0.477 134 I N 1.667 122.357 120.570 0.201 0.000 2.339 134 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 134 I C -0.867 175.489 176.117 0.398 0.000 0.994 134 I CA -0.771 60.703 61.300 0.291 0.000 1.191 134 I CB 0.987 39.112 38.000 0.209 0.000 1.343 134 I HN 0.223 nan 8.210 nan 0.000 0.458 135 Y N 5.761 126.256 120.300 0.326 0.000 2.341 135 Y HA 0.330 4.880 4.550 -0.000 0.000 0.338 135 Y C -0.320 175.746 175.900 0.277 0.000 0.965 135 Y CA -0.835 57.450 58.100 0.309 0.000 1.108 135 Y CB 1.180 39.864 38.460 0.373 0.000 1.180 135 Y HN 0.508 nan 8.280 nan 0.000 0.458 136 D N 5.745 126.032 120.400 -0.188 0.000 2.336 136 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 136 D C 0.613 176.652 176.300 -0.436 0.000 1.213 136 D CA 0.209 53.976 54.000 -0.388 0.000 0.870 136 D CB 0.943 41.528 40.800 -0.358 0.000 1.076 136 D HN 0.804 nan 8.370 nan 0.000 0.483 137 L N 3.491 124.540 121.223 -0.289 0.000 2.131 137 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 137 L C 2.109 178.844 176.870 -0.225 0.000 1.092 137 L CA 0.655 55.401 54.840 -0.156 0.000 0.759 137 L CB -0.372 41.614 42.059 -0.122 0.000 0.903 137 L HN 0.466 nan 8.230 nan 0.000 0.435 138 N N 1.247 119.766 118.700 -0.301 0.000 2.062 138 N HA -0.164 4.576 4.740 -0.000 0.000 0.191 138 N C 1.374 176.766 175.510 -0.195 0.000 1.042 138 N CA 1.537 54.445 53.050 -0.237 0.000 0.845 138 N CB -0.127 38.207 38.487 -0.254 0.000 1.024 138 N HN 0.493 nan 8.380 nan 0.000 0.424 139 K N 1.204 121.470 120.400 -0.222 0.000 2.469 139 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 139 K C -0.284 176.198 176.600 -0.197 0.000 1.028 139 K CA -0.249 55.933 56.287 -0.175 0.000 1.170 139 K CB 0.310 32.722 32.500 -0.146 0.000 0.874 139 K HN -0.071 nan 8.250 nan 0.000 0.507 140 R N 1.544 121.904 120.500 -0.233 0.000 2.879 140 R HA -0.219 4.121 4.340 -0.000 0.000 0.241 140 R C -0.952 175.185 176.300 -0.271 0.000 0.845 140 R CA 0.987 56.973 56.100 -0.189 0.000 0.599 140 R CB -1.569 28.711 30.300 -0.034 0.000 1.213 140 R HN 0.726 nan 8.270 nan 0.000 0.510 141 Q N 0.661 120.046 119.800 -0.692 0.000 2.331 141 Q HA 0.302 4.642 4.340 -0.000 0.000 0.249 141 Q C -0.925 174.804 176.000 -0.452 0.000 0.913 141 Q CA -0.576 54.999 55.803 -0.381 0.000 0.874 141 Q CB 1.301 29.917 28.738 -0.204 0.000 1.384 141 Q HN 0.383 nan 8.270 nan 0.000 0.427 142 L N 4.888 126.083 121.223 -0.046 0.000 2.499 142 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 142 L C -0.179 176.765 176.870 0.124 0.000 1.195 142 L CA 0.311 55.280 54.840 0.215 0.000 0.882 142 L CB 0.401 42.689 42.059 0.381 0.000 1.133 142 L HN 0.692 nan 8.230 nan 0.000 0.483 143 I N 3.693 124.356 120.570 0.154 0.000 2.352 143 I HA 0.031 4.201 4.170 -0.000 0.000 0.290 143 I C 1.214 177.397 176.117 0.111 0.000 1.036 143 I CA -0.007 61.367 61.300 0.122 0.000 1.336 143 I CB 1.501 39.588 38.000 0.145 0.000 1.407 143 I HN 0.730 nan 8.210 nan 0.000 0.497 144 T N 1.475 116.076 114.554 0.077 0.000 3.056 144 T HA 0.080 4.430 4.350 -0.000 0.000 0.241 144 T C 0.710 175.426 174.700 0.027 0.000 1.006 144 T CA -0.307 61.831 62.100 0.063 0.000 1.115 144 T CB 0.093 68.995 68.868 0.056 0.000 0.939 144 T HN 0.572 nan 8.240 nan 0.000 0.462 145 E N 2.081 122.290 120.200 0.016 0.000 2.371 145 E HA 0.085 4.434 4.350 -0.000 0.000 0.257 145 E C -0.397 176.187 176.600 -0.027 0.000 1.134 145 E CA -0.354 56.041 56.400 -0.008 0.000 0.919 145 E CB 0.284 29.980 29.700 -0.005 0.000 1.025 145 E HN 0.243 nan 8.360 nan 0.000 0.438 146 E N -0.020 120.148 120.200 -0.053 0.000 2.257 146 E HA -0.261 4.089 4.350 -0.000 0.000 0.224 146 E C -0.145 176.386 176.600 -0.115 0.000 1.286 146 E CA 1.039 57.387 56.400 -0.087 0.000 0.716 146 E CB -1.724 27.930 29.700 -0.077 0.000 1.159 146 E HN 0.609 nan 8.360 nan 0.000 0.367 147 R N -0.346 120.085 120.500 -0.115 0.000 2.738 147 R HA 0.424 4.764 4.340 -0.000 0.000 0.268 147 R C 0.897 177.036 176.300 -0.269 0.000 1.062 147 R CA -0.492 55.528 56.100 -0.134 0.000 1.158 147 R CB 0.448 30.704 30.300 -0.074 0.000 1.046 147 R HN 0.012 nan 8.270 nan 0.000 0.493 148 I N 2.880 123.247 120.570 -0.338 0.000 2.556 148 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 148 I C -1.554 174.272 176.117 -0.484 0.000 1.114 148 I CA -1.972 58.954 61.300 -0.624 0.000 1.418 148 I CB 0.368 37.946 38.000 -0.703 0.000 1.394 148 I HN 0.457 nan 8.210 nan 0.000 0.552 149 P HA 0.008 nan 4.420 nan 0.000 0.268 149 P C -0.727 176.432 177.300 -0.235 0.000 1.208 149 P CA -0.108 62.679 63.100 -0.522 0.000 0.777 149 P CB 0.376 31.404 31.700 -1.120 0.000 0.875 150 N N 1.992 120.629 118.700 -0.104 0.000 2.326 150 N HA -0.011 4.729 4.740 -0.000 0.000 0.239 150 N C 0.843 176.438 175.510 0.142 0.000 1.301 150 N CA 0.099 53.124 53.050 -0.042 0.000 0.909 150 N CB -0.333 38.122 38.487 -0.054 0.000 1.156 150 N HN 0.454 nan 8.380 nan 0.000 0.462 151 N N -1.096 117.642 118.700 0.064 0.000 2.741 151 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 151 N C -0.883 174.738 175.510 0.185 0.000 1.115 151 N CA 0.743 53.844 53.050 0.087 0.000 0.724 151 N CB -1.362 37.160 38.487 0.058 0.000 1.090 151 N HN 0.480 nan 8.380 nan 0.000 0.558 152 T N 0.794 115.499 114.554 0.253 0.000 2.851 152 T HA 0.125 4.474 4.350 -0.000 0.000 0.298 152 T C 1.690 176.558 174.700 0.280 0.000 0.977 152 T CA 0.013 62.313 62.100 0.333 0.000 1.126 152 T CB 1.248 70.300 68.868 0.307 0.000 0.916 152 T HN 0.155 nan 8.240 nan 0.000 0.529 153 Q N 1.909 121.860 119.800 0.250 0.000 2.269 153 Q HA 0.132 4.472 4.340 -0.000 0.000 0.201 153 Q C 0.172 176.376 176.000 0.339 0.000 0.946 153 Q CA 0.423 56.397 55.803 0.284 0.000 0.877 153 Q CB 0.778 29.628 28.738 0.185 0.000 0.963 153 Q HN 0.703 nan 8.270 nan 0.000 0.472 154 W N 0.110 121.402 121.300 -0.014 0.000 3.953 154 W HA 0.381 5.040 4.660 -0.000 0.000 0.286 154 W C -2.379 174.055 176.519 -0.140 0.000 1.256 154 W CA -0.620 56.665 57.345 -0.101 0.000 1.244 154 W CB 1.075 30.411 29.460 -0.206 0.000 1.262 154 W HN -0.340 nan 8.180 nan 0.000 0.522 155 V N 3.545 122.805 119.914 -1.090 0.000 2.735 155 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 155 V C -0.334 175.109 176.094 -1.085 0.000 1.061 155 V CA -0.679 61.048 62.300 -0.955 0.000 0.913 155 V CB 1.626 32.780 31.823 -1.115 0.000 1.005 155 V HN 0.483 nan 8.190 nan 0.000 0.428 156 T N 2.793 117.023 114.554 -0.539 0.000 2.993 156 T HA 0.523 4.873 4.350 -0.000 0.000 0.312 156 T C -1.192 173.531 174.700 0.037 0.000 1.115 156 T CA -0.322 61.661 62.100 -0.195 0.000 1.027 156 T CB 0.797 69.789 68.868 0.207 0.000 1.116 156 T HN 0.549 nan 8.240 nan 0.000 0.464 157 W N 3.005 124.350 121.300 0.076 0.000 2.093 157 W HA 0.425 5.085 4.660 -0.000 0.000 0.352 157 W C 1.278 177.683 176.519 -0.189 0.000 1.294 157 W CA -0.612 56.727 57.345 -0.009 0.000 1.290 157 W CB 0.543 29.989 29.460 -0.023 0.000 1.149 157 W HN 0.779 nan 8.180 nan 0.000 0.606 158 S N 0.998 116.483 115.700 -0.359 0.000 2.608 158 S HA 0.183 4.653 4.470 -0.000 0.000 0.261 158 S C -1.822 172.541 174.600 -0.395 0.000 1.314 158 S CA -0.977 56.518 58.200 -1.175 0.000 0.992 158 S CB 0.750 63.128 63.200 -1.371 0.000 0.935 158 S HN 0.308 nan 8.310 nan 0.000 0.564 159 P HA 0.066 nan 4.420 nan 0.000 0.231 159 P C 1.319 178.583 177.300 -0.060 0.000 1.168 159 P CA 0.399 63.464 63.100 -0.060 0.000 0.779 159 P CB -0.224 31.492 31.700 0.025 0.000 0.844 160 V N -3.451 116.389 119.914 -0.123 0.000 2.784 160 V HA 0.431 4.551 4.120 -0.000 0.000 0.231 160 V C 1.760 177.804 176.094 -0.083 0.000 1.128 160 V CA 1.043 63.296 62.300 -0.078 0.000 1.178 160 V CB -1.562 30.224 31.823 -0.062 0.000 0.943 160 V HN 0.056 nan 8.190 nan 0.000 0.500 161 G N 1.287 110.008 108.800 -0.131 0.000 3.107 161 G HA2 0.158 4.118 3.960 -0.000 0.000 0.155 161 G HA3 0.158 4.118 3.960 -0.000 0.000 0.155 161 G C 0.798 175.687 174.900 -0.018 0.000 1.875 161 G CA 0.667 45.712 45.100 -0.091 0.000 1.004 161 G HN 0.933 nan 8.290 nan 0.000 0.480 162 H N -0.803 118.246 119.070 -0.035 0.000 2.865 162 H HA 0.378 4.934 4.556 -0.000 0.000 0.247 162 H C -0.188 175.258 175.328 0.197 0.000 1.181 162 H CA -0.461 55.601 56.048 0.024 0.000 0.975 162 H CB -0.238 29.503 29.762 -0.035 0.000 1.899 162 H HN 0.177 nan 8.280 nan 0.000 0.651 163 K N 1.684 122.062 120.400 -0.037 0.000 2.401 163 K HA 0.327 4.647 4.320 -0.000 0.000 0.278 163 K C -0.483 176.197 176.600 0.133 0.000 1.018 163 K CA -0.207 56.067 56.287 -0.020 0.000 0.981 163 K CB 1.362 33.732 32.500 -0.216 0.000 0.933 163 K HN 0.089 nan 8.250 nan 0.000 0.477 164 L N 2.048 123.377 121.223 0.178 0.000 2.329 164 L HA 0.503 4.843 4.340 -0.000 0.000 0.279 164 L C -0.570 176.498 176.870 0.330 0.000 1.014 164 L CA -0.432 54.476 54.840 0.113 0.000 0.814 164 L CB 1.940 43.935 42.059 -0.107 0.000 1.257 164 L HN 0.682 nan 8.230 nan 0.000 0.424 165 A N 3.062 126.082 122.820 0.334 0.000 2.330 165 A HA 0.745 5.065 4.320 -0.000 0.000 0.313 165 A C -1.480 176.125 177.584 0.035 0.000 1.124 165 A CA -0.403 51.703 52.037 0.115 0.000 0.774 165 A CB 0.770 19.710 19.000 -0.101 0.000 1.198 165 A HN 0.628 nan 8.150 nan 0.000 0.465 166 Y N 0.240 120.494 120.300 -0.078 0.000 2.545 166 Y HA 0.773 5.323 4.550 -0.000 0.000 0.348 166 Y C -1.071 174.843 175.900 0.024 0.000 1.002 166 Y CA -1.584 56.452 58.100 -0.108 0.000 1.039 166 Y CB 1.237 39.567 38.460 -0.216 0.000 1.271 166 Y HN 0.346 nan 8.280 nan 0.000 0.467 167 V N 3.208 123.236 119.914 0.190 0.000 2.435 167 V HA 0.360 4.480 4.120 -0.000 0.000 0.290 167 V C -1.359 174.935 176.094 0.334 0.000 1.030 167 V CA -0.602 61.785 62.300 0.145 0.000 0.881 167 V CB 1.229 33.053 31.823 0.001 0.000 0.983 167 V HN 0.903 nan 8.190 nan 0.000 0.445 168 W N 5.269 126.640 121.300 0.118 0.000 3.326 168 W HA 0.418 5.078 4.660 -0.000 0.000 0.333 168 W C 0.126 176.681 176.519 0.060 0.000 1.108 168 W CA -0.593 56.805 57.345 0.089 0.000 1.245 168 W CB 1.092 30.594 29.460 0.070 0.000 1.331 168 W HN 0.777 nan 8.180 nan 0.000 0.464 169 N N 6.105 124.422 118.700 -0.639 0.000 2.714 169 N HA -0.354 4.386 4.740 -0.000 0.000 0.252 169 N C 0.160 175.500 175.510 -0.283 0.000 1.014 169 N CA 1.074 53.762 53.050 -0.603 0.000 0.735 169 N CB -1.010 36.900 38.487 -0.960 0.000 0.924 169 N HN 0.847 nan 8.380 nan 0.000 0.540 170 N N -1.824 116.753 118.700 -0.205 0.000 2.828 170 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 170 N C -1.292 174.130 175.510 -0.147 0.000 1.044 170 N CA 1.073 54.013 53.050 -0.183 0.000 0.851 170 N CB -0.338 38.001 38.487 -0.246 0.000 1.136 170 N HN 0.467 nan 8.380 nan 0.000 0.572 171 D N 0.548 120.892 120.400 -0.094 0.000 2.457 171 D HA 0.467 5.107 4.640 -0.000 0.000 0.240 171 D C 0.093 176.261 176.300 -0.220 0.000 1.041 171 D CA -0.400 53.483 54.000 -0.195 0.000 0.861 171 D CB 1.689 42.350 40.800 -0.231 0.000 1.394 171 D HN 0.023 nan 8.370 nan 0.000 0.473 172 I N 1.854 122.131 120.570 -0.487 0.000 2.428 172 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 172 I C -0.621 175.065 176.117 -0.718 0.000 1.019 172 I CA -0.285 60.712 61.300 -0.504 0.000 1.351 172 I CB 0.445 38.078 38.000 -0.611 0.000 1.412 172 I HN 0.151 nan 8.210 nan 0.000 0.513 173 Y N 4.241 124.147 120.300 -0.657 0.000 2.462 173 Y HA 0.626 5.176 4.550 -0.000 0.000 0.346 173 Y C -0.345 175.214 175.900 -0.569 0.000 0.976 173 Y CA -0.950 56.706 58.100 -0.739 0.000 1.044 173 Y CB 2.019 39.706 38.460 -1.288 0.000 1.230 173 Y HN 0.129 nan 8.280 nan 0.000 0.455 174 V N 3.251 123.110 119.914 -0.091 0.000 2.495 174 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 174 V C -0.588 175.633 176.094 0.212 0.000 1.031 174 V CA -1.269 61.082 62.300 0.084 0.000 0.871 174 V CB 1.876 33.768 31.823 0.116 0.000 0.988 174 V HN 0.617 nan 8.190 nan 0.000 0.432 175 K N 4.596 125.126 120.400 0.217 0.000 2.540 175 K HA 0.486 4.805 4.320 -0.000 0.000 0.218 175 K C 0.770 177.465 176.600 0.158 0.000 1.017 175 K CA -0.328 56.062 56.287 0.172 0.000 1.029 175 K CB 1.155 33.728 32.500 0.122 0.000 1.348 175 K HN 0.587 nan 8.250 nan 0.000 0.508 176 I N 0.800 121.494 120.570 0.207 0.000 2.163 176 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 176 I C 0.545 176.697 176.117 0.057 0.000 1.085 176 I CA 1.521 62.904 61.300 0.138 0.000 1.347 176 I CB 0.170 38.292 38.000 0.204 0.000 1.044 176 I HN 0.421 nan 8.210 nan 0.000 0.408 177 E N -0.045 120.207 120.200 0.086 0.000 2.187 177 E HA 0.224 4.574 4.350 -0.000 0.000 0.268 177 E C -1.837 174.779 176.600 0.026 0.000 0.896 177 E CA -1.941 54.517 56.400 0.097 0.000 0.766 177 E CB 1.509 31.282 29.700 0.121 0.000 1.142 177 E HN -0.113 nan 8.360 nan 0.000 0.408 178 P HA -0.205 nan 4.420 nan 0.000 0.216 178 P C 0.883 178.159 177.300 -0.041 0.000 1.154 178 P CA 1.461 64.488 63.100 -0.122 0.000 0.865 178 P CB 0.218 31.702 31.700 -0.360 0.000 0.789 179 N N -1.452 117.250 118.700 0.004 0.000 2.398 179 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 179 N C 0.186 175.699 175.510 0.006 0.000 1.122 179 N CA 0.273 53.337 53.050 0.023 0.000 0.866 179 N CB -0.185 38.337 38.487 0.060 0.000 0.970 179 N HN 0.103 nan 8.380 nan 0.000 0.462 180 L N 0.987 122.208 121.223 -0.002 0.000 2.365 180 L HA 0.584 4.924 4.340 -0.000 0.000 0.267 180 L C -2.057 174.768 176.870 -0.076 0.000 1.033 180 L CA -2.292 52.533 54.840 -0.026 0.000 0.802 180 L CB 1.085 43.143 42.059 -0.002 0.000 1.267 180 L HN -0.079 nan 8.230 nan 0.000 0.457 181 P HA 0.222 nan 4.420 nan 0.000 0.274 181 P C -1.299 175.848 177.300 -0.256 0.000 1.260 181 P CA -0.421 62.569 63.100 -0.183 0.000 0.793 181 P CB 0.421 31.997 31.700 -0.207 0.000 1.048 182 S N -0.684 114.903 115.700 -0.190 0.000 2.525 182 S HA 0.484 4.954 4.470 -0.000 0.000 0.290 182 S C -0.868 173.618 174.600 -0.191 0.000 1.152 182 S CA -0.495 57.647 58.200 -0.097 0.000 1.072 182 S CB 0.132 63.392 63.200 0.100 0.000 1.027 182 S HN 0.231 nan 8.310 nan 0.000 0.500 183 Y N 0.667 120.984 120.300 0.029 0.000 2.328 183 Y HA 0.442 4.992 4.550 -0.000 0.000 0.337 183 Y C 0.897 176.703 175.900 -0.156 0.000 1.008 183 Y CA -0.919 57.168 58.100 -0.022 0.000 1.129 183 Y CB 0.787 39.237 38.460 -0.017 0.000 1.185 183 Y HN 0.491 nan 8.280 nan 0.000 0.476 184 R N 2.949 123.353 120.500 -0.160 0.000 2.543 184 R HA 0.202 4.542 4.340 -0.000 0.000 0.277 184 R C 0.157 176.152 176.300 -0.508 0.000 1.074 184 R CA 0.126 55.789 56.100 -0.728 0.000 1.076 184 R CB 0.524 30.148 30.300 -1.126 0.000 0.993 184 R HN 0.801 nan 8.270 nan 0.000 0.459 185 I N 0.926 121.106 120.570 -0.649 0.000 3.718 185 I HA 0.001 4.171 4.170 -0.000 0.000 0.297 185 I C 1.048 176.948 176.117 -0.362 0.000 1.220 185 I CA 0.763 61.836 61.300 -0.379 0.000 1.381 185 I CB -0.153 37.621 38.000 -0.377 0.000 1.238 185 I HN 0.613 nan 8.210 nan 0.000 0.448 186 T N -3.745 110.459 114.554 -0.584 0.000 2.924 186 T HA 0.437 4.787 4.350 -0.000 0.000 0.291 186 T C -0.702 173.697 174.700 -0.502 0.000 1.045 186 T CA -0.432 61.437 62.100 -0.384 0.000 1.015 186 T CB 2.175 70.798 68.868 -0.409 0.000 1.103 186 T HN 0.178 nan 8.240 nan 0.000 0.496 187 W N 0.107 121.296 121.300 -0.185 0.000 2.304 187 W HA 0.245 4.905 4.660 -0.000 0.000 0.326 187 W C 1.521 177.992 176.519 -0.081 0.000 0.920 187 W CA -0.216 57.059 57.345 -0.117 0.000 1.518 187 W CB 0.517 29.925 29.460 -0.086 0.000 1.112 187 W HN 0.909 nan 8.180 nan 0.000 0.528 188 T N -2.620 111.984 114.554 0.083 0.000 3.176 188 T HA 0.357 4.707 4.350 -0.000 0.000 0.263 188 T C 0.922 175.625 174.700 0.005 0.000 1.021 188 T CA -0.135 61.998 62.100 0.056 0.000 0.905 188 T CB 0.043 68.943 68.868 0.052 0.000 1.057 188 T HN 0.008 nan 8.240 nan 0.000 0.558 189 G N 1.473 110.248 108.800 -0.041 0.000 2.334 189 G HA2 0.404 4.364 3.960 -0.000 0.000 0.261 189 G HA3 0.404 4.364 3.960 -0.000 0.000 0.261 189 G C -0.594 174.256 174.900 -0.082 0.000 1.257 189 G CA -0.507 44.542 45.100 -0.085 0.000 0.935 189 G HN 0.499 nan 8.290 nan 0.000 0.480 190 K N 2.376 122.717 120.400 -0.097 0.000 2.545 190 K HA 0.207 4.527 4.320 -0.000 0.000 0.252 190 K C 0.134 176.638 176.600 -0.159 0.000 0.948 190 K CA -0.710 55.521 56.287 -0.093 0.000 0.827 190 K CB 1.322 33.804 32.500 -0.031 0.000 1.128 190 K HN 0.596 nan 8.250 nan 0.000 0.429 191 E N 3.636 123.733 120.200 -0.171 0.000 2.694 191 E HA -0.159 4.191 4.350 -0.000 0.000 0.250 191 E C -0.719 175.798 176.600 -0.138 0.000 0.963 191 E CA 0.988 57.272 56.400 -0.194 0.000 0.949 191 E CB 0.233 29.844 29.700 -0.148 0.000 0.911 191 E HN 0.751 nan 8.360 nan 0.000 0.500 192 D N 2.434 122.726 120.400 -0.180 0.000 2.911 192 D HA -0.224 4.416 4.640 -0.000 0.000 0.199 192 D C 0.477 176.864 176.300 0.146 0.000 1.041 192 D CA 1.538 55.559 54.000 0.036 0.000 1.013 192 D CB -0.641 40.199 40.800 0.067 0.000 1.093 192 D HN 0.489 nan 8.370 nan 0.000 0.431 193 I N -0.819 119.781 120.570 0.049 0.000 3.534 193 I HA 0.131 4.301 4.170 -0.000 0.000 0.251 193 I C 0.693 176.959 176.117 0.249 0.000 1.136 193 I CA 0.405 61.799 61.300 0.157 0.000 1.475 193 I CB 0.200 38.249 38.000 0.082 0.000 1.526 193 I HN -0.102 nan 8.210 nan 0.000 0.454 194 I N 1.627 122.275 120.570 0.130 0.000 2.389 194 I HA 0.267 4.437 4.170 -0.000 0.000 0.288 194 I C -1.257 174.951 176.117 0.152 0.000 0.999 194 I CA -0.513 60.912 61.300 0.208 0.000 1.129 194 I CB 1.098 39.167 38.000 0.115 0.000 1.288 194 I HN 0.015 nan 8.210 nan 0.000 0.444 195 Y N 4.554 124.940 120.300 0.144 0.000 2.331 195 Y HA 0.387 4.937 4.550 -0.000 0.000 0.338 195 Y C 0.419 176.379 175.900 0.101 0.000 0.976 195 Y CA -0.870 57.307 58.100 0.128 0.000 1.137 195 Y CB 1.010 39.596 38.460 0.211 0.000 1.172 195 Y HN 0.415 nan 8.280 nan 0.000 0.478 196 N N 2.232 120.978 118.700 0.076 0.000 2.518 196 N HA 0.360 5.100 4.740 -0.000 0.000 0.254 196 N C 0.733 176.141 175.510 -0.171 0.000 0.979 196 N CA 0.350 53.355 53.050 -0.074 0.000 0.930 196 N CB 1.754 40.090 38.487 -0.253 0.000 1.152 196 N HN 0.952 nan 8.380 nan 0.000 0.505 197 G N 1.557 110.288 108.800 -0.115 0.000 2.176 197 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 197 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 197 G C 0.086 174.804 174.900 -0.304 0.000 0.979 197 G CA 0.563 45.528 45.100 -0.225 0.000 0.641 197 G HN 0.629 nan 8.290 nan 0.000 0.530 198 I N -1.627 118.832 120.570 -0.185 0.000 2.934 198 I HA 0.835 5.005 4.170 -0.000 0.000 0.306 198 I C 0.305 176.350 176.117 -0.119 0.000 1.110 198 I CA -0.701 60.369 61.300 -0.384 0.000 1.019 198 I CB 2.049 39.644 38.000 -0.675 0.000 1.227 198 I HN 0.170 nan 8.210 nan 0.000 0.434 199 T N -0.433 113.981 114.554 -0.234 0.000 2.922 199 T HA 0.364 4.714 4.350 -0.000 0.000 0.285 199 T C -0.173 174.335 174.700 -0.320 0.000 1.005 199 T CA -0.688 61.135 62.100 -0.462 0.000 1.061 199 T CB 1.234 69.957 68.868 -0.241 0.000 1.007 199 T HN 0.775 nan 8.240 nan 0.000 0.502 200 D N 0.847 120.767 120.400 -0.799 0.000 2.447 200 D HA 0.000 4.640 4.640 -0.000 0.000 0.265 200 D C 0.973 177.229 176.300 -0.074 0.000 1.250 200 D CA -1.045 52.548 54.000 -0.679 0.000 1.046 200 D CB 0.224 40.463 40.800 -0.936 0.000 1.095 200 D HN 0.731 nan 8.370 nan 0.000 0.555 201 W N 0.360 121.649 121.300 -0.019 0.000 2.333 201 W HA -0.228 4.432 4.660 -0.000 0.000 0.316 201 W C 2.192 178.644 176.519 -0.112 0.000 1.215 201 W CA 2.420 59.759 57.345 -0.010 0.000 1.278 201 W CB -0.476 28.932 29.460 -0.086 0.000 1.154 201 W HN 0.199 nan 8.180 nan 0.000 0.486 202 V N -0.073 119.964 119.914 0.204 0.000 2.427 202 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 202 V C 1.917 177.896 176.094 -0.192 0.000 1.051 202 V CA 2.095 64.415 62.300 0.033 0.000 1.048 202 V CB -0.790 31.021 31.823 -0.020 0.000 0.666 202 V HN 0.318 nan 8.190 nan 0.000 0.456 203 Y N 0.773 120.947 120.300 -0.210 0.000 2.242 203 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 203 Y C 2.564 178.398 175.900 -0.111 0.000 1.137 203 Y CA 2.139 60.133 58.100 -0.176 0.000 1.181 203 Y CB -0.117 38.162 38.460 -0.302 0.000 0.989 203 Y HN 0.452 nan 8.280 nan 0.000 0.527 204 E N 0.331 120.510 120.200 -0.034 0.000 2.058 204 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 204 E C 2.007 178.555 176.600 -0.086 0.000 0.997 204 E CA 1.695 58.081 56.400 -0.024 0.000 0.801 204 E CB -0.045 29.631 29.700 -0.039 0.000 0.746 204 E HN 0.394 nan 8.360 nan 0.000 0.450 205 E N -0.018 119.959 120.200 -0.372 0.000 2.051 205 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 205 E C 1.713 178.236 176.600 -0.127 0.000 0.979 205 E CA 1.362 57.546 56.400 -0.360 0.000 0.803 205 E CB 0.160 29.361 29.700 -0.831 0.000 0.761 205 E HN 0.185 nan 8.360 nan 0.000 0.451 206 E N -0.799 119.307 120.200 -0.158 0.000 2.389 206 E HA 0.060 4.410 4.350 -0.000 0.000 0.199 206 E C 1.684 178.196 176.600 -0.148 0.000 0.978 206 E CA 0.759 57.108 56.400 -0.085 0.000 0.912 206 E CB 0.928 30.570 29.700 -0.098 0.000 0.907 206 E HN 0.269 nan 8.360 nan 0.000 0.494 207 V N -1.589 118.188 119.914 -0.228 0.000 2.948 207 V HA 0.119 4.239 4.120 -0.000 0.000 0.234 207 V C 1.279 177.207 176.094 -0.277 0.000 1.205 207 V CA 0.372 62.473 62.300 -0.332 0.000 1.234 207 V CB -0.243 31.224 31.823 -0.594 0.000 1.020 207 V HN 0.003 nan 8.190 nan 0.000 0.491 208 F N 1.215 121.203 119.950 0.063 0.000 2.619 208 F HA 0.446 4.973 4.527 -0.000 0.000 0.293 208 F C 1.730 177.509 175.800 -0.035 0.000 1.119 208 F CA 0.926 58.965 58.000 0.065 0.000 1.445 208 F CB -0.167 38.903 39.000 0.118 0.000 1.119 208 F HN 0.205 nan 8.300 nan 0.000 0.573 209 S N 0.315 116.060 115.700 0.076 0.000 3.682 209 S HA 0.058 4.528 4.470 -0.000 0.000 0.354 209 S C -0.236 173.942 174.600 -0.704 0.000 1.034 209 S CA 0.297 58.429 58.200 -0.114 0.000 1.084 209 S CB -1.438 61.753 63.200 -0.016 0.000 0.903 209 S HN 0.756 nan 8.310 nan 0.000 0.470 210 A N -0.276 122.305 122.820 -0.398 0.000 2.586 210 A HA 0.580 4.900 4.320 -0.000 0.000 0.296 210 A C -0.346 177.180 177.584 -0.097 0.000 1.040 210 A CA -0.289 51.542 52.037 -0.344 0.000 0.701 210 A CB 0.065 18.903 19.000 -0.270 0.000 1.277 210 A HN 0.417 nan 8.150 nan 0.000 0.413 211 Y N 1.887 122.005 120.300 -0.304 0.000 2.243 211 Y HA 0.101 4.651 4.550 -0.000 0.000 0.293 211 Y C 1.870 177.427 175.900 -0.572 0.000 1.124 211 Y CA 1.486 59.391 58.100 -0.325 0.000 1.159 211 Y CB -0.161 38.134 38.460 -0.275 0.000 1.008 211 Y HN 0.888 nan 8.280 nan 0.000 0.527 212 S N 0.708 115.814 115.700 -0.990 0.000 2.563 212 S HA 0.256 4.726 4.470 -0.000 0.000 0.294 212 S C 0.325 174.344 174.600 -0.967 0.000 1.279 212 S CA 0.259 57.633 58.200 -1.377 0.000 1.069 212 S CB 0.254 62.388 63.200 -1.776 0.000 0.828 212 S HN 0.457 nan 8.310 nan 0.000 0.497 213 A N 4.547 126.814 122.820 -0.921 0.000 2.806 213 A HA 0.511 4.831 4.320 -0.000 0.000 0.266 213 A C -0.748 176.128 177.584 -1.181 0.000 0.926 213 A CA -0.664 50.781 52.037 -0.986 0.000 1.068 213 A CB -0.259 18.586 19.000 -0.259 0.000 1.189 213 A HN 0.839 nan 8.150 nan 0.000 0.481 214 L N -4.103 116.335 121.223 -1.308 0.000 2.354 214 L HA 0.872 5.212 4.340 -0.000 0.000 0.264 214 L C -1.010 175.295 176.870 -0.943 0.000 1.008 214 L CA -1.547 52.764 54.840 -0.882 0.000 0.819 214 L CB 0.762 42.581 42.059 -0.400 0.000 1.339 214 L HN 0.253 nan 8.230 nan 0.000 0.420 215 W N 1.077 122.415 121.300 0.064 0.000 2.756 215 W HA 0.333 4.993 4.660 -0.000 0.000 0.333 215 W C -1.443 175.307 176.519 0.385 0.000 1.025 215 W CA -0.752 56.753 57.345 0.266 0.000 1.246 215 W CB 1.390 31.048 29.460 0.331 0.000 1.358 215 W HN 0.601 nan 8.180 nan 0.000 0.444 216 W N 2.269 123.824 121.300 0.425 0.000 2.170 216 W HA 0.215 4.875 4.660 -0.000 0.000 0.336 216 W C 1.253 177.706 176.519 -0.109 0.000 1.283 216 W CA 0.302 57.775 57.345 0.213 0.000 1.224 216 W CB 0.672 30.203 29.460 0.118 0.000 1.132 216 W HN 0.172 nan 8.180 nan 0.000 0.571 217 S N 2.063 117.573 115.700 -0.318 0.000 2.593 217 S HA 0.160 4.630 4.470 -0.000 0.000 0.269 217 S C -1.817 172.553 174.600 -0.383 0.000 1.334 217 S CA -1.060 56.398 58.200 -1.237 0.000 1.015 217 S CB 1.048 63.520 63.200 -1.213 0.000 0.912 217 S HN 0.272 nan 8.310 nan 0.000 0.541 218 P HA -0.166 nan 4.420 nan 0.000 0.217 218 P C 0.992 178.264 177.300 -0.047 0.000 1.151 218 P CA 1.653 64.723 63.100 -0.050 0.000 0.849 218 P CB -0.147 31.562 31.700 0.015 0.000 0.787 219 N N -1.946 116.709 118.700 -0.075 0.000 2.236 219 N HA 0.108 4.848 4.740 -0.000 0.000 0.196 219 N C 1.033 176.478 175.510 -0.108 0.000 1.114 219 N CA 0.659 53.667 53.050 -0.070 0.000 0.859 219 N CB -0.622 37.839 38.487 -0.043 0.000 0.982 219 N HN 0.118 nan 8.380 nan 0.000 0.493 220 G N -0.934 107.808 108.800 -0.097 0.000 2.137 220 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.237 220 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.237 220 G C 0.774 175.675 174.900 0.002 0.000 1.002 220 G CA 0.662 45.723 45.100 -0.066 0.000 0.702 220 G HN 0.373 nan 8.290 nan 0.000 0.515 221 T N -0.133 114.362 114.554 -0.098 0.000 2.770 221 T HA 0.226 4.576 4.350 -0.000 0.000 0.263 221 T C 0.863 175.371 174.700 -0.320 0.000 1.039 221 T CA 1.097 63.025 62.100 -0.287 0.000 1.142 221 T CB -0.035 68.525 68.868 -0.513 0.000 0.868 221 T HN 0.288 nan 8.240 nan 0.000 0.435 222 F N 0.780 120.755 119.950 0.042 0.000 2.399 222 F HA 0.587 5.114 4.527 -0.000 0.000 0.334 222 F C -0.183 175.721 175.800 0.172 0.000 1.097 222 F CA -1.512 56.561 58.000 0.122 0.000 1.076 222 F CB 0.997 40.128 39.000 0.219 0.000 1.162 222 F HN -0.069 nan 8.300 nan 0.000 0.495 223 L N 3.415 124.807 121.223 0.281 0.000 2.316 223 L HA 0.771 5.111 4.340 -0.000 0.000 0.280 223 L C -0.560 176.407 176.870 0.161 0.000 1.006 223 L CA -0.337 54.514 54.840 0.018 0.000 0.836 223 L CB 0.700 42.523 42.059 -0.394 0.000 1.221 223 L HN 0.671 nan 8.230 nan 0.000 0.418 224 A N 5.025 128.008 122.820 0.273 0.000 2.301 224 A HA 0.715 5.035 4.320 -0.000 0.000 0.312 224 A C -1.300 176.368 177.584 0.140 0.000 1.182 224 A CA -0.282 51.784 52.037 0.049 0.000 0.826 224 A CB 0.370 19.418 19.000 0.079 0.000 1.134 224 A HN 0.824 nan 8.150 nan 0.000 0.501 225 Y N -0.954 119.227 120.300 -0.198 0.000 2.597 225 Y HA 0.776 5.326 4.550 -0.000 0.000 0.340 225 Y C -0.232 175.648 175.900 -0.033 0.000 1.097 225 Y CA -1.012 57.070 58.100 -0.030 0.000 1.037 225 Y CB 1.061 39.435 38.460 -0.143 0.000 1.305 225 Y HN 0.845 nan 8.280 nan 0.000 0.463 226 A N 2.359 125.401 122.820 0.370 0.000 2.312 226 A HA 0.604 4.924 4.320 -0.000 0.000 0.328 226 A C -1.054 176.561 177.584 0.052 0.000 1.158 226 A CA -0.812 51.313 52.037 0.147 0.000 0.821 226 A CB 1.494 20.489 19.000 -0.008 0.000 1.170 226 A HN 0.813 nan 8.150 nan 0.000 0.490 227 Q N 1.601 121.355 119.800 -0.077 0.000 2.330 227 Q HA 0.602 4.942 4.340 -0.000 0.000 0.269 227 Q C -2.029 173.814 176.000 -0.262 0.000 1.022 227 Q CA -0.336 55.465 55.803 -0.005 0.000 0.796 227 Q CB 0.939 29.837 28.738 0.267 0.000 1.271 227 Q HN 0.596 nan 8.270 nan 0.000 0.450 228 F N 2.362 122.398 119.950 0.142 0.000 2.480 228 F HA 0.415 4.942 4.527 -0.000 0.000 0.329 228 F C 0.456 176.365 175.800 0.182 0.000 1.091 228 F CA -0.997 57.053 58.000 0.083 0.000 0.972 228 F CB 1.388 40.327 39.000 -0.101 0.000 1.150 228 F HN 0.468 nan 8.300 nan 0.000 0.467 229 N N 1.898 120.797 118.700 0.331 0.000 2.518 229 N HA 0.191 4.931 4.740 -0.000 0.000 0.254 229 N C -0.847 174.813 175.510 0.250 0.000 0.979 229 N CA -0.348 52.865 53.050 0.272 0.000 0.930 229 N CB 0.897 39.499 38.487 0.192 0.000 1.152 229 N HN 0.542 nan 8.380 nan 0.000 0.505 230 D N 1.863 122.432 120.400 0.283 0.000 2.358 230 D HA 0.106 4.745 4.640 -0.000 0.000 0.224 230 D C 1.207 177.615 176.300 0.180 0.000 1.123 230 D CA 0.156 54.297 54.000 0.234 0.000 0.833 230 D CB 0.423 41.396 40.800 0.288 0.000 0.946 230 D HN 0.486 nan 8.370 nan 0.000 0.505 231 T N 0.560 115.208 114.554 0.155 0.000 2.624 231 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 231 T C 1.302 176.059 174.700 0.095 0.000 1.041 231 T CA 1.232 63.400 62.100 0.114 0.000 1.159 231 T CB 0.060 68.986 68.868 0.097 0.000 0.863 231 T HN 0.192 nan 8.240 nan 0.000 0.434 232 E N 0.733 120.988 120.200 0.091 0.000 2.465 232 E HA 0.216 4.566 4.350 -0.000 0.000 0.195 232 E C -0.216 176.430 176.600 0.077 0.000 1.028 232 E CA -0.054 56.389 56.400 0.073 0.000 0.899 232 E CB 0.282 30.018 29.700 0.060 0.000 1.032 232 E HN 0.274 nan 8.360 nan 0.000 0.468 233 V N 3.933 123.905 119.914 0.097 0.000 2.530 233 V HA 0.122 4.242 4.120 -0.000 0.000 0.282 233 V C -1.956 174.192 176.094 0.090 0.000 1.048 233 V CA -1.377 60.983 62.300 0.101 0.000 0.997 233 V CB 0.645 32.543 31.823 0.125 0.000 0.987 233 V HN 0.035 nan 8.190 nan 0.000 0.477 234 P HA 0.277 nan 4.420 nan 0.000 0.272 234 P C -0.904 176.436 177.300 0.067 0.000 1.230 234 P CA -0.267 62.872 63.100 0.064 0.000 0.788 234 P CB 0.466 32.205 31.700 0.064 0.000 0.949 235 L N 1.562 122.801 121.223 0.025 0.000 2.307 235 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 235 L C 0.408 177.228 176.870 -0.083 0.000 1.023 235 L CA -1.091 53.744 54.840 -0.009 0.000 0.810 235 L CB 0.991 43.032 42.059 -0.031 0.000 1.231 235 L HN 0.269 nan 8.230 nan 0.000 0.423 236 I N 2.327 122.798 120.570 -0.165 0.000 2.474 236 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 236 I C -0.239 175.674 176.117 -0.340 0.000 1.048 236 I CA 0.467 61.550 61.300 -0.361 0.000 1.383 236 I CB 0.638 38.160 38.000 -0.797 0.000 1.412 236 I HN 0.603 nan 8.210 nan 0.000 0.531 237 E N 7.203 127.220 120.200 -0.305 0.000 2.222 237 E HA 0.553 4.903 4.350 -0.000 0.000 0.267 237 E C -1.715 174.737 176.600 -0.247 0.000 0.884 237 E CA -0.588 55.616 56.400 -0.327 0.000 0.764 237 E CB 2.009 31.578 29.700 -0.218 0.000 1.169 237 E HN 0.589 nan 8.360 nan 0.000 0.413 238 Y N -1.857 118.340 120.300 -0.172 0.000 2.638 238 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 238 Y C -0.763 175.047 175.900 -0.151 0.000 1.155 238 Y CA -1.329 56.673 58.100 -0.163 0.000 1.046 238 Y CB 0.970 39.335 38.460 -0.158 0.000 1.303 238 Y HN 0.217 nan 8.280 nan 0.000 0.460 239 S N 1.797 117.513 115.700 0.026 0.000 2.565 239 S HA 0.469 4.939 4.470 -0.000 0.000 0.274 239 S C -1.407 173.075 174.600 -0.198 0.000 1.309 239 S CA -0.429 57.625 58.200 -0.244 0.000 1.043 239 S CB 0.460 63.319 63.200 -0.568 0.000 0.939 239 S HN 0.524 nan 8.310 nan 0.000 0.504 240 F N 2.409 122.143 119.950 -0.359 0.000 2.493 240 F HA 0.453 4.980 4.527 -0.000 0.000 0.329 240 F C -0.270 175.340 175.800 -0.317 0.000 1.126 240 F CA -0.814 57.056 58.000 -0.216 0.000 0.937 240 F CB 0.865 39.878 39.000 0.022 0.000 1.146 240 F HN 0.653 nan 8.300 nan 0.000 0.442 241 Y N 2.748 122.816 120.300 -0.387 0.000 2.436 241 Y HA 0.138 4.688 4.550 -0.000 0.000 0.288 241 Y C 1.721 177.529 175.900 -0.154 0.000 1.112 241 Y CA 1.091 59.063 58.100 -0.214 0.000 1.220 241 Y CB -0.546 37.776 38.460 -0.230 0.000 1.073 241 Y HN 0.752 nan 8.280 nan 0.000 0.552 242 S N -0.039 115.544 115.700 -0.195 0.000 3.443 242 S HA -0.279 4.191 4.470 -0.000 0.000 0.635 242 S C -0.502 174.126 174.600 0.046 0.000 2.555 242 S CA 0.319 58.542 58.200 0.039 0.000 2.778 242 S CB -1.385 61.979 63.200 0.274 0.000 0.331 242 S HN 0.501 nan 8.310 nan 0.000 1.765 243 D N 1.732 122.185 120.400 0.088 0.000 2.478 243 D HA 0.218 4.858 4.640 -0.000 0.000 0.234 243 D C 1.437 177.763 176.300 0.044 0.000 1.154 243 D CA 0.775 54.811 54.000 0.060 0.000 0.874 243 D CB 0.206 41.047 40.800 0.068 0.000 1.198 243 D HN 0.519 nan 8.370 nan 0.000 0.455 244 E N 0.427 120.642 120.200 0.025 0.000 2.169 244 E HA -0.272 4.077 4.350 -0.000 0.000 0.202 244 E C 1.860 178.469 176.600 0.016 0.000 1.016 244 E CA 1.526 57.933 56.400 0.012 0.000 0.817 244 E CB 0.002 29.705 29.700 0.005 0.000 0.736 244 E HN 0.530 nan 8.360 nan 0.000 0.462 245 S N 0.362 116.078 115.700 0.026 0.000 2.447 245 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 245 S C 1.070 175.691 174.600 0.036 0.000 1.006 245 S CA 0.205 58.422 58.200 0.027 0.000 0.957 245 S CB -0.138 63.082 63.200 0.032 0.000 0.773 245 S HN 0.147 nan 8.310 nan 0.000 0.507 246 L N 2.199 123.452 121.223 0.050 0.000 2.500 246 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 246 L C 1.648 178.543 176.870 0.041 0.000 1.149 246 L CA 0.099 54.979 54.840 0.066 0.000 0.897 246 L CB 0.951 43.064 42.059 0.090 0.000 1.178 246 L HN 0.447 nan 8.230 nan 0.000 0.473 247 Q N 3.800 123.628 119.800 0.046 0.000 2.049 247 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 247 Q C -0.525 175.353 176.000 -0.203 0.000 0.971 247 Q CA 1.381 57.144 55.803 -0.067 0.000 0.833 247 Q CB 0.198 28.935 28.738 -0.001 0.000 0.896 247 Q HN 0.556 nan 8.270 nan 0.000 0.434 248 Y N 0.868 121.178 120.300 0.017 0.000 2.331 248 Y HA 0.345 4.895 4.550 -0.000 0.000 0.338 248 Y C -2.002 173.902 175.900 0.006 0.000 0.992 248 Y CA -2.973 55.132 58.100 0.008 0.000 1.121 248 Y CB 1.025 39.483 38.460 -0.004 0.000 1.184 248 Y HN 0.167 nan 8.280 nan 0.000 0.469 249 P HA -0.011 nan 4.420 nan 0.000 0.265 249 P C -0.891 176.409 177.300 -0.000 0.000 1.187 249 P CA -0.260 62.838 63.100 -0.005 0.000 0.766 249 P CB 0.427 32.057 31.700 -0.117 0.000 0.820 250 K N 0.575 120.971 120.400 -0.007 0.000 2.130 250 K HA 0.458 4.778 4.320 -0.000 0.000 0.268 250 K C -0.767 175.799 176.600 -0.057 0.000 0.983 250 K CA -0.589 55.697 56.287 -0.002 0.000 0.893 250 K CB 0.512 33.035 32.500 0.037 0.000 1.066 250 K HN 0.176 nan 8.250 nan 0.000 0.450 251 T N 2.868 117.371 114.554 -0.085 0.000 2.747 251 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 251 T C -0.059 174.529 174.700 -0.187 0.000 0.952 251 T CA -0.652 61.362 62.100 -0.144 0.000 0.983 251 T CB 0.591 69.380 68.868 -0.131 0.000 0.930 251 T HN 0.382 nan 8.240 nan 0.000 0.494 252 V N 6.007 125.748 119.914 -0.288 0.000 2.614 252 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 252 V C 0.573 176.380 176.094 -0.479 0.000 1.049 252 V CA -0.374 61.708 62.300 -0.364 0.000 1.038 252 V CB 0.391 31.950 31.823 -0.440 0.000 0.980 252 V HN 0.781 nan 8.190 nan 0.000 0.481 253 R N 4.460 124.794 120.500 -0.276 0.000 2.533 253 R HA 0.723 5.063 4.340 -0.000 0.000 0.288 253 R C -1.917 174.335 176.300 -0.080 0.000 1.039 253 R CA -0.562 55.400 56.100 -0.230 0.000 0.909 253 R CB 1.558 31.758 30.300 -0.167 0.000 1.195 253 R HN 0.534 nan 8.270 nan 0.000 0.438 254 V N 2.078 121.955 119.914 -0.063 0.000 2.656 254 V HA 0.590 4.710 4.120 -0.000 0.000 0.307 254 V C -2.734 173.422 176.094 0.104 0.000 1.051 254 V CA -2.386 59.972 62.300 0.096 0.000 0.893 254 V CB 2.380 34.331 31.823 0.215 0.000 0.999 254 V HN 0.655 nan 8.190 nan 0.000 0.426 255 P HA 0.205 nan 4.420 nan 0.000 0.262 255 P C -1.671 175.753 177.300 0.206 0.000 1.199 255 P CA 0.671 63.886 63.100 0.191 0.000 0.763 255 P CB -0.311 31.535 31.700 0.243 0.000 0.790 256 Y N 6.010 126.312 120.300 0.003 0.000 2.274 256 Y HA 0.311 4.861 4.550 -0.000 0.000 0.323 256 Y C -2.792 173.097 175.900 -0.017 0.000 1.171 256 Y CA -2.536 55.521 58.100 -0.072 0.000 1.163 256 Y CB 1.663 39.982 38.460 -0.236 0.000 1.183 256 Y HN 0.281 nan 8.280 nan 0.000 0.424 257 P HA 0.275 nan 4.420 nan 0.000 0.287 257 P C -0.936 176.396 177.300 0.053 0.000 1.307 257 P CA -0.217 62.907 63.100 0.041 0.000 0.777 257 P CB 1.368 33.083 31.700 0.025 0.000 0.883 258 K N 2.025 122.554 120.400 0.215 0.000 2.107 258 K HA 0.499 4.819 4.320 -0.000 0.000 0.251 258 K C 0.531 177.240 176.600 0.182 0.000 1.012 258 K CA -0.741 55.698 56.287 0.254 0.000 0.920 258 K CB 0.636 33.311 32.500 0.291 0.000 1.033 258 K HN 0.452 nan 8.250 nan 0.000 0.478 259 A N 0.949 123.906 122.820 0.229 0.000 2.583 259 A HA 0.232 4.552 4.320 -0.000 0.000 0.249 259 A C 1.224 178.862 177.584 0.091 0.000 1.035 259 A CA 1.164 53.327 52.037 0.209 0.000 0.777 259 A CB -1.277 17.943 19.000 0.366 0.000 0.942 259 A HN 0.928 nan 8.150 nan 0.000 0.516 260 G N 1.070 109.907 108.800 0.062 0.000 2.241 260 G HA2 0.125 4.085 3.960 -0.000 0.000 0.244 260 G HA3 0.125 4.085 3.960 -0.000 0.000 0.244 260 G C 0.719 175.636 174.900 0.029 0.000 0.998 260 G CA 0.651 45.757 45.100 0.010 0.000 0.621 260 G HN 2.213 nan 8.290 nan 0.000 0.519 261 A N 0.027 122.881 122.820 0.057 0.000 2.280 261 A HA 0.683 5.003 4.320 -0.000 0.000 0.268 261 A C 0.963 178.581 177.584 0.056 0.000 1.111 261 A CA 0.414 52.486 52.037 0.059 0.000 0.814 261 A CB 0.468 19.518 19.000 0.083 0.000 1.093 261 A HN 1.260 nan 8.150 nan 0.000 0.498 262 V N 2.802 122.748 119.914 0.054 0.000 2.458 262 V HA -0.023 4.097 4.120 -0.000 0.000 0.287 262 V C 0.497 176.635 176.094 0.073 0.000 1.009 262 V CA -0.184 62.148 62.300 0.054 0.000 1.091 262 V CB -1.012 30.842 31.823 0.052 0.000 0.960 262 V HN 0.756 nan 8.190 nan 0.000 0.476 263 N N 6.674 125.418 118.700 0.073 0.000 2.444 263 N HA 0.313 5.053 4.740 -0.000 0.000 0.255 263 N C -2.252 173.337 175.510 0.133 0.000 1.255 263 N CA -1.384 51.734 53.050 0.113 0.000 0.933 263 N CB 0.562 39.112 38.487 0.106 0.000 1.143 263 N HN 0.400 nan 8.380 nan 0.000 0.453 264 P HA 0.062 nan 4.420 nan 0.000 0.269 264 P C -0.415 177.022 177.300 0.230 0.000 1.209 264 P CA -0.119 63.125 63.100 0.240 0.000 0.776 264 P CB 0.113 32.011 31.700 0.329 0.000 0.876 265 T N -0.868 113.791 114.554 0.176 0.000 2.922 265 T HA 0.471 4.821 4.350 -0.000 0.000 0.285 265 T C -0.034 174.768 174.700 0.169 0.000 1.005 265 T CA -0.775 61.391 62.100 0.110 0.000 1.061 265 T CB 1.312 70.217 68.868 0.062 0.000 1.007 265 T HN 0.299 nan 8.240 nan 0.000 0.502 266 V N 1.126 121.118 119.914 0.130 0.000 2.680 266 V HA 0.718 4.838 4.120 -0.000 0.000 0.309 266 V C -0.969 175.197 176.094 0.121 0.000 1.052 266 V CA -0.829 61.516 62.300 0.074 0.000 0.908 266 V CB 1.818 33.725 31.823 0.141 0.000 1.001 266 V HN 0.998 nan 8.190 nan 0.000 0.431 267 K N 4.373 124.803 120.400 0.049 0.000 2.395 267 K HA 0.628 4.948 4.320 -0.000 0.000 0.247 267 K C -1.925 174.712 176.600 0.061 0.000 0.973 267 K CA -0.552 55.773 56.287 0.064 0.000 0.828 267 K CB 2.592 35.143 32.500 0.085 0.000 1.272 267 K HN 0.572 nan 8.250 nan 0.000 0.439 268 F N 1.838 121.593 119.950 -0.326 0.000 2.565 268 F HA 0.591 5.118 4.527 -0.000 0.000 0.313 268 F C -1.628 173.723 175.800 -0.747 0.000 1.091 268 F CA -0.674 57.112 58.000 -0.355 0.000 0.915 268 F CB 0.980 39.863 39.000 -0.195 0.000 1.208 268 F HN 0.418 nan 8.300 nan 0.000 0.453 269 F N 3.400 122.624 119.950 -1.209 0.000 2.643 269 F HA 0.811 5.338 4.527 -0.000 0.000 0.314 269 F C -1.054 174.028 175.800 -1.197 0.000 1.096 269 F CA -1.075 56.288 58.000 -1.062 0.000 0.953 269 F CB 2.249 40.513 39.000 -1.227 0.000 1.345 269 F HN 0.204 nan 8.300 nan 0.000 0.468 270 V N 1.869 121.509 119.914 -0.455 0.000 2.851 270 V HA 0.656 4.775 4.120 -0.000 0.000 0.307 270 V C -1.422 174.743 176.094 0.119 0.000 1.129 270 V CA -0.825 61.328 62.300 -0.244 0.000 0.932 270 V CB 2.162 33.730 31.823 -0.425 0.000 1.024 270 V HN 0.598 nan 8.190 nan 0.000 0.426 271 V N 3.538 123.592 119.914 0.233 0.000 2.823 271 V HA 0.569 4.689 4.120 -0.000 0.000 0.312 271 V C -0.402 175.864 176.094 0.286 0.000 1.072 271 V CA -0.683 61.770 62.300 0.254 0.000 0.937 271 V CB 2.259 34.180 31.823 0.163 0.000 1.013 271 V HN 1.006 nan 8.190 nan 0.000 0.430 272 N N 2.417 121.225 118.700 0.180 0.000 2.408 272 N HA 0.253 4.993 4.740 -0.000 0.000 0.257 272 N C 0.935 176.396 175.510 -0.081 0.000 1.064 272 N CA 0.381 53.389 53.050 -0.071 0.000 0.952 272 N CB 1.235 39.652 38.487 -0.116 0.000 1.093 272 N HN 0.861 nan 8.380 nan 0.000 0.490 273 T N -0.711 113.790 114.554 -0.088 0.000 3.169 273 T HA 0.115 4.465 4.350 -0.000 0.000 0.250 273 T C 0.389 175.030 174.700 -0.100 0.000 1.111 273 T CA 0.163 62.238 62.100 -0.043 0.000 1.010 273 T CB 0.172 69.127 68.868 0.145 0.000 0.984 273 T HN 0.376 nan 8.240 nan 0.000 0.537 274 D N 1.657 121.970 120.400 -0.145 0.000 2.422 274 D HA 0.070 4.710 4.640 -0.000 0.000 0.218 274 D C 1.176 177.402 176.300 -0.123 0.000 1.047 274 D CA 0.511 54.431 54.000 -0.133 0.000 0.885 274 D CB 0.487 41.200 40.800 -0.146 0.000 1.035 274 D HN 0.562 nan 8.370 nan 0.000 0.502 275 S N 1.524 117.152 115.700 -0.122 0.000 2.460 275 S HA 0.366 4.836 4.470 -0.000 0.000 0.211 275 S C 0.198 174.737 174.600 -0.102 0.000 1.312 275 S CA -0.758 57.390 58.200 -0.086 0.000 1.256 275 S CB -0.880 62.293 63.200 -0.046 0.000 1.086 275 S HN 0.184 nan 8.310 nan 0.000 0.507 276 L N -0.773 120.337 121.223 -0.188 0.000 2.354 276 L HA 0.801 5.140 4.340 -0.000 0.000 0.269 276 L C 0.481 177.194 176.870 -0.262 0.000 1.005 276 L CA -0.798 53.895 54.840 -0.246 0.000 0.819 276 L CB 1.745 43.580 42.059 -0.374 0.000 1.311 276 L HN 0.285 nan 8.230 nan 0.000 0.423 277 S N -0.090 115.550 115.700 -0.099 0.000 2.641 277 S HA 0.095 4.564 4.470 -0.000 0.000 0.239 277 S C 0.902 175.624 174.600 0.202 0.000 1.081 277 S CA 0.661 58.884 58.200 0.038 0.000 0.904 277 S CB 0.167 63.394 63.200 0.045 0.000 0.803 277 S HN 1.582 nan 8.310 nan 0.000 0.510 278 S N -0.319 115.544 115.700 0.272 0.000 2.012 278 S HA -0.217 4.253 4.470 -0.000 0.000 0.252 278 S C 0.986 175.696 174.600 0.184 0.000 1.285 278 S CA 0.655 59.049 58.200 0.323 0.000 1.201 278 S CB -2.462 60.908 63.200 0.283 0.000 1.497 278 S HN 1.460 nan 8.310 nan 0.000 0.616 279 V N 0.005 120.000 119.914 0.135 0.000 2.911 279 V HA 0.413 4.533 4.120 -0.000 0.000 0.237 279 V C 1.203 177.346 176.094 0.082 0.000 1.156 279 V CA 0.883 63.241 62.300 0.096 0.000 1.180 279 V CB -0.823 31.041 31.823 0.067 0.000 0.932 279 V HN 1.034 nan 8.190 nan 0.000 0.483 280 T N 0.071 114.668 114.554 0.072 0.000 2.779 280 T HA 0.238 4.588 4.350 -0.000 0.000 0.296 280 T C 0.731 175.484 174.700 0.088 0.000 0.938 280 T CA -0.011 62.123 62.100 0.056 0.000 1.119 280 T CB 0.673 69.564 68.868 0.039 0.000 0.891 280 T HN 0.235 nan 8.240 nan 0.000 0.526 281 N N 2.480 121.231 118.700 0.085 0.000 2.192 281 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 281 N C 0.710 176.338 175.510 0.197 0.000 1.013 281 N CA 1.438 54.591 53.050 0.171 0.000 0.863 281 N CB -0.644 37.868 38.487 0.043 0.000 0.990 281 N HN 1.244 nan 8.380 nan 0.000 0.430 282 A N -1.965 120.921 122.820 0.110 0.000 2.434 282 A HA -0.046 4.274 4.320 -0.000 0.000 0.686 282 A C -0.353 177.283 177.584 0.087 0.000 0.138 282 A CA -0.475 51.612 52.037 0.083 0.000 0.027 282 A CB -1.463 17.576 19.000 0.066 0.000 3.972 282 A HN 0.038 nan 8.150 nan 0.000 0.548 283 T N 3.818 118.421 114.554 0.082 0.000 2.761 283 T HA 0.531 4.881 4.350 -0.000 0.000 0.296 283 T C 0.607 175.385 174.700 0.130 0.000 0.934 283 T CA 0.633 62.795 62.100 0.103 0.000 1.091 283 T CB 0.525 69.460 68.868 0.112 0.000 0.896 283 T HN 0.966 nan 8.240 nan 0.000 0.515 284 S N 4.213 119.990 115.700 0.129 0.000 2.457 284 S HA 0.423 4.893 4.470 -0.000 0.000 0.289 284 S C 0.139 174.901 174.600 0.270 0.000 1.163 284 S CA -0.880 57.419 58.200 0.165 0.000 1.078 284 S CB 0.527 63.758 63.200 0.051 0.000 0.987 284 S HN 0.478 nan 8.310 nan 0.000 0.482 285 I N 3.141 123.877 120.570 0.276 0.000 2.371 285 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 285 I C 0.625 176.838 176.117 0.161 0.000 1.028 285 I CA -0.144 61.318 61.300 0.271 0.000 1.345 285 I CB 0.890 39.116 38.000 0.376 0.000 1.407 285 I HN 0.679 nan 8.210 nan 0.000 0.501 286 Q N 5.888 125.727 119.800 0.066 0.000 2.267 286 Q HA 0.441 4.781 4.340 -0.000 0.000 0.255 286 Q C -0.938 174.953 176.000 -0.183 0.000 0.923 286 Q CA -0.530 55.065 55.803 -0.347 0.000 0.925 286 Q CB 1.210 29.694 28.738 -0.425 0.000 1.195 286 Q HN 0.517 nan 8.270 nan 0.000 0.417 287 I N 3.324 123.775 120.570 -0.198 0.000 2.385 287 I HA 0.212 4.382 4.170 -0.000 0.000 0.294 287 I C 0.770 176.861 176.117 -0.044 0.000 0.988 287 I CA -0.163 61.118 61.300 -0.032 0.000 1.265 287 I CB 1.699 39.745 38.000 0.075 0.000 1.388 287 I HN 0.742 nan 8.210 nan 0.000 0.480 288 T N 2.951 117.460 114.554 -0.074 0.000 2.864 288 T HA 0.862 5.212 4.350 -0.000 0.000 0.276 288 T C 0.569 175.086 174.700 -0.304 0.000 1.006 288 T CA 0.084 62.085 62.100 -0.164 0.000 0.970 288 T CB 1.282 70.052 68.868 -0.162 0.000 1.420 288 T HN 1.070 nan 8.240 nan 0.000 0.601 289 A N 0.812 123.350 122.820 -0.470 0.000 5.821 289 A HA -0.017 4.303 4.320 -0.000 0.000 0.282 289 A C -2.214 174.736 177.584 -1.057 0.000 2.032 289 A CA 0.264 51.945 52.037 -0.593 0.000 0.715 289 A CB -2.968 15.827 19.000 -0.341 0.000 1.178 289 A HN 1.013 nan 8.150 nan 0.000 0.370 290 P HA 0.396 nan 4.420 nan 0.000 0.272 290 P C 0.813 177.888 177.300 -0.376 0.000 1.240 290 P CA 0.678 63.532 63.100 -0.410 0.000 0.791 290 P CB 0.655 32.208 31.700 -0.245 0.000 0.978 291 A N 1.681 124.359 122.820 -0.237 0.000 2.024 291 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 291 A C 2.085 179.559 177.584 -0.182 0.000 1.164 291 A CA 2.101 54.022 52.037 -0.195 0.000 0.643 291 A CB -1.690 17.231 19.000 -0.132 0.000 0.806 291 A HN 0.652 nan 8.150 nan 0.000 0.451 292 S N -1.102 114.505 115.700 -0.155 0.000 2.515 292 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 292 S C 1.619 176.126 174.600 -0.155 0.000 0.987 292 S CA 1.220 59.344 58.200 -0.125 0.000 0.936 292 S CB -0.176 63.019 63.200 -0.007 0.000 0.766 292 S HN 0.459 nan 8.310 nan 0.000 0.528 293 M N 0.639 120.083 119.600 -0.259 0.000 2.657 293 M HA 0.365 4.845 4.480 -0.000 0.000 0.262 293 M C 1.877 177.936 176.300 -0.402 0.000 1.213 293 M CA 0.546 55.636 55.300 -0.350 0.000 1.182 293 M CB -1.130 31.120 32.600 -0.583 0.000 1.303 293 M HN 0.277 nan 8.290 nan 0.000 0.501 294 L N 1.391 122.357 121.223 -0.427 0.000 2.349 294 L HA -0.161 4.179 4.340 -0.000 0.000 0.220 294 L C 2.351 179.157 176.870 -0.105 0.000 1.130 294 L CA 0.799 55.481 54.840 -0.262 0.000 0.791 294 L CB -0.895 41.019 42.059 -0.241 0.000 0.918 294 L HN 0.333 nan 8.230 nan 0.000 0.444 295 I N -2.711 117.792 120.570 -0.112 0.000 2.700 295 I HA 0.054 4.224 4.170 -0.000 0.000 0.261 295 I C 1.064 177.157 176.117 -0.041 0.000 1.219 295 I CA 0.875 62.130 61.300 -0.075 0.000 1.463 295 I CB -0.482 37.463 38.000 -0.092 0.000 1.092 295 I HN 0.119 nan 8.210 nan 0.000 0.452 296 G N -0.086 108.711 108.800 -0.006 0.000 2.561 296 G HA2 0.217 4.177 3.960 -0.000 0.000 0.310 296 G HA3 0.217 4.177 3.960 -0.000 0.000 0.310 296 G C -1.874 173.062 174.900 0.059 0.000 1.292 296 G CA -0.626 44.479 45.100 0.008 0.000 0.811 296 G HN 0.031 nan 8.290 nan 0.000 0.482 297 D N 1.395 121.778 120.400 -0.029 0.000 2.455 297 D HA 0.426 5.066 4.640 -0.000 0.000 0.241 297 D C 0.334 176.543 176.300 -0.153 0.000 1.138 297 D CA 0.779 54.696 54.000 -0.139 0.000 0.877 297 D CB 0.322 41.027 40.800 -0.159 0.000 1.187 297 D HN 0.538 nan 8.370 nan 0.000 0.451 298 H N -0.495 118.417 119.070 -0.263 0.000 3.017 298 H HA 0.416 4.972 4.556 -0.000 0.000 0.346 298 H C -1.273 173.870 175.328 -0.307 0.000 1.286 298 H CA -0.804 55.085 56.048 -0.266 0.000 1.120 298 H CB 0.273 29.997 29.762 -0.063 0.000 1.860 298 H HN 0.256 nan 8.280 nan 0.000 0.542 299 Y N 0.116 120.636 120.300 0.367 0.000 2.587 299 Y HA 0.486 5.036 4.550 -0.000 0.000 0.337 299 Y C -0.223 175.970 175.900 0.488 0.000 1.065 299 Y CA -1.231 57.097 58.100 0.381 0.000 1.126 299 Y CB 1.765 40.303 38.460 0.130 0.000 1.279 299 Y HN 0.534 nan 8.280 nan 0.000 0.489 300 L N 1.915 123.473 121.223 0.560 0.000 2.322 300 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 300 L C 0.057 176.931 176.870 0.007 0.000 1.014 300 L CA -0.256 54.574 54.840 -0.017 0.000 0.815 300 L CB 1.066 42.967 42.059 -0.263 0.000 1.247 300 L HN 0.975 nan 8.230 nan 0.000 0.421 301 C N 0.723 119.876 119.300 -0.245 0.000 3.882 301 C HA 0.520 4.980 4.460 -0.000 0.000 0.340 301 C C -0.002 174.774 174.990 -0.356 0.000 1.563 301 C CA -0.406 58.395 59.018 -0.362 0.000 1.870 301 C CB -0.616 27.002 27.740 -0.203 0.000 2.795 301 C HN 0.842 nan 8.230 nan 0.000 0.692 302 D N 0.497 120.708 120.400 -0.315 0.000 2.803 302 D HA 0.429 5.069 4.640 -0.000 0.000 0.218 302 D C -1.780 174.246 176.300 -0.457 0.000 1.245 302 D CA 0.137 53.990 54.000 -0.245 0.000 0.821 302 D CB 2.861 43.523 40.800 -0.231 0.000 1.626 302 D HN 0.302 nan 8.370 nan 0.000 0.487 303 V N 1.907 121.518 119.914 -0.506 0.000 2.612 303 V HA 0.713 4.833 4.120 -0.000 0.000 0.301 303 V C -1.647 174.056 176.094 -0.653 0.000 1.059 303 V CA 0.027 61.813 62.300 -0.856 0.000 0.886 303 V CB 1.845 32.775 31.823 -1.488 0.000 1.007 303 V HN 0.602 nan 8.190 nan 0.000 0.426 304 T N 6.389 120.656 114.554 -0.478 0.000 3.031 304 T HA 0.412 4.762 4.350 -0.000 0.000 0.305 304 T C -0.895 173.708 174.700 -0.161 0.000 0.985 304 T CA -0.182 61.808 62.100 -0.184 0.000 1.008 304 T CB 0.875 69.701 68.868 -0.070 0.000 1.005 304 T HN 0.772 nan 8.240 nan 0.000 0.444 305 W N 1.846 123.138 121.300 -0.012 0.000 2.158 305 W HA 0.467 5.127 4.660 -0.000 0.000 0.339 305 W C 1.116 177.588 176.519 -0.078 0.000 1.294 305 W CA -0.145 57.189 57.345 -0.019 0.000 1.231 305 W CB 0.601 30.116 29.460 0.091 0.000 1.143 305 W HN 0.829 nan 8.180 nan 0.000 0.571 306 A N 1.159 124.012 122.820 0.056 0.000 1.993 306 A HA 0.224 4.544 4.320 -0.000 0.000 0.202 306 A C 0.838 178.406 177.584 -0.027 0.000 1.461 306 A CA 1.298 53.114 52.037 -0.370 0.000 0.824 306 A CB -0.401 17.906 19.000 -1.156 0.000 1.024 306 A HN 0.522 nan 8.150 nan 0.000 0.507 307 T N -5.049 109.566 114.554 0.101 0.000 2.573 307 T HA 0.340 4.690 4.350 -0.000 0.000 0.259 307 T C 0.395 175.218 174.700 0.205 0.000 0.886 307 T CA -0.229 61.956 62.100 0.142 0.000 1.110 307 T CB 0.526 69.460 68.868 0.109 0.000 1.421 307 T HN -0.036 nan 8.240 nan 0.000 0.523 308 Q N 0.276 120.171 119.800 0.158 0.000 2.291 308 Q HA 0.100 4.439 4.340 -0.000 0.000 0.205 308 Q C 0.876 177.052 176.000 0.293 0.000 0.970 308 Q CA 1.400 57.290 55.803 0.143 0.000 0.876 308 Q CB -0.072 28.738 28.738 0.120 0.000 0.935 308 Q HN 0.800 nan 8.270 nan 0.000 0.455 309 E N -0.647 119.756 120.200 0.338 0.000 2.759 309 E HA 0.197 4.547 4.350 -0.000 0.000 0.220 309 E C -0.382 176.488 176.600 0.450 0.000 0.974 309 E CA -0.102 56.519 56.400 0.369 0.000 1.148 309 E CB 1.039 30.855 29.700 0.193 0.000 1.059 309 E HN -0.066 nan 8.360 nan 0.000 0.493 310 R N 1.309 122.075 120.500 0.444 0.000 2.439 310 R HA 0.519 4.859 4.340 -0.000 0.000 0.310 310 R C -1.178 175.195 176.300 0.121 0.000 0.955 310 R CA -0.564 55.684 56.100 0.246 0.000 0.853 310 R CB 1.815 32.117 30.300 0.005 0.000 1.171 310 R HN 0.066 nan 8.270 nan 0.000 0.449 311 I N 1.685 122.149 120.570 -0.177 0.000 2.433 311 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 311 I C -0.567 175.269 176.117 -0.469 0.000 1.001 311 I CA -0.236 60.654 61.300 -0.684 0.000 1.119 311 I CB 1.894 39.060 38.000 -1.390 0.000 1.289 311 I HN 0.486 nan 8.210 nan 0.000 0.438 312 S N 7.222 122.648 115.700 -0.455 0.000 2.475 312 S HA 0.765 5.235 4.470 -0.000 0.000 0.298 312 S C -1.068 173.239 174.600 -0.488 0.000 1.119 312 S CA -0.487 57.511 58.200 -0.338 0.000 1.085 312 S CB 1.082 64.216 63.200 -0.110 0.000 1.028 312 S HN 0.470 nan 8.310 nan 0.000 0.489 313 L N 3.695 124.625 121.223 -0.488 0.000 2.408 313 L HA 0.542 4.882 4.340 -0.000 0.000 0.268 313 L C -0.401 176.122 176.870 -0.578 0.000 0.986 313 L CA -0.152 54.263 54.840 -0.708 0.000 0.820 313 L CB 2.220 43.786 42.059 -0.821 0.000 1.303 313 L HN 0.711 nan 8.230 nan 0.000 0.411 314 Q N 1.880 121.292 119.800 -0.645 0.000 2.331 314 Q HA 0.440 4.780 4.340 -0.000 0.000 0.267 314 Q C -1.644 174.036 176.000 -0.533 0.000 1.006 314 Q CA -0.525 55.012 55.803 -0.443 0.000 0.818 314 Q CB 2.188 30.753 28.738 -0.289 0.000 1.276 314 Q HN 0.516 nan 8.270 nan 0.000 0.450 315 W N 2.530 123.761 121.300 -0.115 0.000 2.639 315 W HA 0.639 5.299 4.660 -0.000 0.000 0.347 315 W C -0.714 175.814 176.519 0.016 0.000 1.067 315 W CA -0.702 56.620 57.345 -0.040 0.000 1.218 315 W CB 1.129 30.542 29.460 -0.077 0.000 1.393 315 W HN 0.398 nan 8.180 nan 0.000 0.557 316 L N 2.273 123.707 121.223 0.353 0.000 2.516 316 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 316 L C -0.340 176.694 176.870 0.272 0.000 0.957 316 L CA -1.039 53.964 54.840 0.270 0.000 0.860 316 L CB 1.284 43.476 42.059 0.222 0.000 1.265 316 L HN 0.427 nan 8.230 nan 0.000 0.403 317 R N 2.646 123.274 120.500 0.214 0.000 2.734 317 R HA 0.167 4.507 4.340 -0.000 0.000 0.266 317 R C 1.115 177.454 176.300 0.065 0.000 1.044 317 R CA 0.192 56.363 56.100 0.118 0.000 1.128 317 R CB 0.483 30.849 30.300 0.110 0.000 1.010 317 R HN 0.698 nan 8.270 nan 0.000 0.461 318 R N 1.746 122.197 120.500 -0.081 0.000 2.103 318 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 318 R C 0.402 176.745 176.300 0.071 0.000 1.142 318 R CA 1.243 57.297 56.100 -0.077 0.000 0.960 318 R CB 0.083 30.300 30.300 -0.139 0.000 0.858 318 R HN 0.400 nan 8.270 nan 0.000 0.439 319 I N 3.251 123.848 120.570 0.045 0.000 2.483 319 I HA -0.042 4.128 4.170 -0.000 0.000 0.291 319 I C 0.139 176.308 176.117 0.087 0.000 1.112 319 I CA 0.660 61.993 61.300 0.054 0.000 1.350 319 I CB 0.645 38.668 38.000 0.038 0.000 1.419 319 I HN 0.338 nan 8.210 nan 0.000 0.523 320 Q N 4.586 124.433 119.800 0.078 0.000 2.945 320 Q HA 0.066 4.406 4.340 -0.000 0.000 0.323 320 Q C 0.765 176.830 176.000 0.107 0.000 1.188 320 Q CA -0.116 55.746 55.803 0.098 0.000 0.929 320 Q CB 0.045 28.806 28.738 0.038 0.000 1.531 320 Q HN 0.468 nan 8.270 nan 0.000 0.444 321 N N -0.133 118.639 118.700 0.121 0.000 2.432 321 N HA -0.020 4.720 4.740 -0.000 0.000 0.174 321 N C -0.994 174.613 175.510 0.161 0.000 1.037 321 N CA 0.534 53.657 53.050 0.122 0.000 0.892 321 N CB 0.596 39.155 38.487 0.120 0.000 1.049 321 N HN 0.324 nan 8.380 nan 0.000 0.442 322 Y N 0.718 121.042 120.300 0.039 0.000 2.331 322 Y HA 0.394 4.944 4.550 -0.000 0.000 0.326 322 Y C -0.891 175.038 175.900 0.049 0.000 1.020 322 Y CA -1.039 57.083 58.100 0.035 0.000 1.136 322 Y CB 1.061 39.535 38.460 0.022 0.000 1.157 322 Y HN -0.083 nan 8.280 nan 0.000 0.444 323 S N 4.706 120.267 115.700 -0.233 0.000 2.542 323 S HA 0.918 5.388 4.470 -0.000 0.000 0.293 323 S C -1.779 172.710 174.600 -0.185 0.000 1.089 323 S CA -0.654 57.493 58.200 -0.088 0.000 0.961 323 S CB 1.820 64.995 63.200 -0.042 0.000 1.062 323 S HN 0.432 nan 8.310 nan 0.000 0.483 324 V N 3.281 123.189 119.914 -0.008 0.000 2.656 324 V HA 0.569 4.689 4.120 -0.000 0.000 0.307 324 V C -0.347 175.767 176.094 0.034 0.000 1.051 324 V CA -0.755 61.552 62.300 0.012 0.000 0.893 324 V CB 1.770 33.650 31.823 0.094 0.000 0.999 324 V HN 1.048 nan 8.190 nan 0.000 0.426 325 M N 3.344 122.943 119.600 -0.002 0.000 2.268 325 M HA 0.553 5.032 4.480 -0.000 0.000 0.344 325 M C -1.236 175.071 176.300 0.012 0.000 1.106 325 M CA -0.205 55.063 55.300 -0.054 0.000 1.010 325 M CB 1.230 33.755 32.600 -0.126 0.000 1.649 325 M HN 0.663 nan 8.290 nan 0.000 0.443 326 D N 4.466 124.857 120.400 -0.015 0.000 2.198 326 D HA 0.579 5.219 4.640 -0.000 0.000 0.247 326 D C -1.205 175.066 176.300 -0.048 0.000 1.010 326 D CA -0.047 53.958 54.000 0.009 0.000 0.880 326 D CB 1.771 42.612 40.800 0.068 0.000 1.209 326 D HN 0.611 nan 8.370 nan 0.000 0.451 327 I N 2.249 122.817 120.570 -0.003 0.000 2.476 327 I HA 0.242 4.412 4.170 -0.000 0.000 0.281 327 I C -0.866 175.261 176.117 0.018 0.000 1.040 327 I CA -0.551 60.741 61.300 -0.013 0.000 1.094 327 I CB 1.229 39.261 38.000 0.054 0.000 1.219 327 I HN 0.200 nan 8.210 nan 0.000 0.450 328 c N 3.591 122.201 118.600 0.018 0.000 2.322 328 c HA 0.526 5.096 4.570 -0.000 0.000 0.324 328 c C -0.174 174.091 174.090 0.293 0.000 1.284 328 c CA -0.904 55.510 56.329 0.143 0.000 1.606 328 c CB 0.601 43.208 42.510 0.163 0.000 2.251 328 c HN 0.558 nan 8.230 nan 0.000 0.502 329 D N 0.624 121.149 120.400 0.209 0.000 2.225 329 D HA 0.250 4.890 4.640 -0.000 0.000 0.249 329 D C -0.420 175.815 176.300 -0.108 0.000 1.052 329 D CA -0.210 53.863 54.000 0.122 0.000 0.909 329 D CB 0.582 41.395 40.800 0.021 0.000 1.186 329 D HN 0.605 nan 8.370 nan 0.000 0.431 330 Y N 1.050 120.896 120.300 -0.756 0.000 2.442 330 Y HA 0.138 4.688 4.550 -0.000 0.000 0.330 330 Y C -0.010 175.560 175.900 -0.550 0.000 1.129 330 Y CA -0.207 57.121 58.100 -1.287 0.000 1.365 330 Y CB 0.679 38.256 38.460 -1.471 0.000 1.233 330 Y HN 0.152 nan 8.280 nan 0.000 0.529 331 D N 5.264 124.953 120.400 -1.185 0.000 2.479 331 D HA 0.071 4.711 4.640 -0.000 0.000 0.218 331 D C 1.029 176.717 176.300 -1.020 0.000 1.131 331 D CA -0.091 53.427 54.000 -0.802 0.000 0.916 331 D CB 0.567 41.089 40.800 -0.465 0.000 1.022 331 D HN 0.752 nan 8.370 nan 0.000 0.515 332 E N 1.941 121.717 120.200 -0.708 0.000 2.164 332 E HA -0.270 4.079 4.350 -0.000 0.000 0.206 332 E C 1.395 177.866 176.600 -0.216 0.000 1.032 332 E CA 1.811 58.033 56.400 -0.296 0.000 0.832 332 E CB -0.169 29.490 29.700 -0.070 0.000 0.742 332 E HN 0.345 nan 8.360 nan 0.000 0.460 333 S N -1.037 114.535 115.700 -0.213 0.000 2.343 333 S HA -0.141 4.328 4.470 -0.000 0.000 0.212 333 S C 2.060 176.589 174.600 -0.119 0.000 1.033 333 S CA 2.186 60.310 58.200 -0.126 0.000 1.004 333 S CB -0.791 62.343 63.200 -0.111 0.000 0.977 333 S HN 0.510 nan 8.310 nan 0.000 0.427 334 S N -0.148 115.460 115.700 -0.153 0.000 2.481 334 S HA 0.240 4.710 4.470 -0.000 0.000 0.231 334 S C 1.610 176.158 174.600 -0.086 0.000 0.996 334 S CA 1.143 59.282 58.200 -0.102 0.000 0.942 334 S CB -0.628 62.512 63.200 -0.100 0.000 0.768 334 S HN 1.560 nan 8.310 nan 0.000 0.520 335 G N 1.455 110.148 108.800 -0.178 0.000 2.143 335 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 335 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 335 G C 0.007 174.928 174.900 0.035 0.000 0.991 335 G CA 0.336 45.413 45.100 -0.039 0.000 0.689 335 G HN 0.966 nan 8.290 nan 0.000 0.522 336 R N -2.059 118.370 120.500 -0.119 0.000 2.960 336 R HA 0.845 5.184 4.340 -0.000 0.000 0.249 336 R C -1.030 175.212 176.300 -0.096 0.000 1.192 336 R CA -1.597 54.526 56.100 0.038 0.000 1.035 336 R CB 0.581 30.927 30.300 0.077 0.000 1.234 336 R HN 0.136 nan 8.270 nan 0.000 0.493 337 W N 0.122 121.422 121.300 -0.000 0.000 2.475 337 W HA 0.502 5.162 4.660 -0.000 0.000 0.317 337 W C -0.648 175.851 176.519 -0.033 0.000 1.046 337 W CA -0.491 56.849 57.345 -0.008 0.000 1.215 337 W CB 1.511 30.976 29.460 0.009 0.000 1.335 337 W HN 0.510 nan 8.180 nan 0.000 0.471 338 N N 2.591 121.371 118.700 0.133 0.000 2.420 338 N HA 0.257 4.997 4.740 -0.000 0.000 0.249 338 N C -1.027 174.535 175.510 0.087 0.000 1.033 338 N CA -0.510 52.579 53.050 0.066 0.000 0.944 338 N CB 0.663 39.149 38.487 -0.002 0.000 1.113 338 N HN 0.254 nan 8.380 nan 0.000 0.502 339 c N 4.176 122.814 118.600 0.065 0.000 2.225 339 c HA 0.196 4.766 4.570 -0.000 0.000 0.437 339 c C 0.924 175.025 174.090 0.019 0.000 1.039 339 c CA -0.895 55.460 56.329 0.043 0.000 1.406 339 c CB -1.808 40.719 42.510 0.029 0.000 1.548 339 c HN 0.643 nan 8.230 nan 0.000 0.515 340 L N 2.546 123.782 121.223 0.022 0.000 2.774 340 L HA 0.018 4.358 4.340 -0.000 0.000 0.279 340 L C 0.754 177.625 176.870 0.001 0.000 1.137 340 L CA 0.267 55.113 54.840 0.009 0.000 1.021 340 L CB -0.436 41.632 42.059 0.015 0.000 1.366 340 L HN 0.375 nan 8.230 nan 0.000 0.471 341 V N 4.283 124.190 119.914 -0.013 0.000 3.041 341 V HA -0.348 3.772 4.120 -0.000 0.000 0.250 341 V C 1.473 177.552 176.094 -0.026 0.000 1.790 341 V CA 1.617 63.903 62.300 -0.024 0.000 1.647 341 V CB 0.108 31.916 31.823 -0.026 0.000 0.890 341 V HN 1.182 nan 8.190 nan 0.000 0.512 342 A N 3.145 125.938 122.820 -0.045 0.000 3.661 342 A HA -0.299 4.021 4.320 -0.000 0.000 0.269 342 A C 1.573 179.126 177.584 -0.052 0.000 1.056 342 A CA 1.931 53.934 52.037 -0.056 0.000 1.159 342 A CB -1.451 17.529 19.000 -0.032 0.000 1.105 342 A HN 0.890 nan 8.150 nan 0.000 0.907 343 R N 0.005 120.492 120.500 -0.022 0.000 2.362 343 R HA 0.105 4.445 4.340 -0.000 0.000 0.227 343 R C 0.824 177.131 176.300 0.011 0.000 0.905 343 R CA 0.570 56.691 56.100 0.035 0.000 1.067 343 R CB 0.211 30.568 30.300 0.094 0.000 1.078 343 R HN 0.919 nan 8.270 nan 0.000 0.516 344 Q N 0.300 120.049 119.800 -0.086 0.000 2.299 344 Q HA 0.138 4.478 4.340 -0.000 0.000 0.246 344 Q C -1.079 174.776 176.000 -0.242 0.000 0.935 344 Q CA 0.027 55.793 55.803 -0.062 0.000 0.887 344 Q CB 0.978 29.697 28.738 -0.031 0.000 1.223 344 Q HN 0.143 nan 8.270 nan 0.000 0.439 345 H N 1.444 120.512 119.070 -0.003 0.000 2.906 345 H HA 0.400 4.956 4.556 -0.000 0.000 0.324 345 H C -0.833 174.458 175.328 -0.062 0.000 0.973 345 H CA -0.481 55.567 56.048 -0.000 0.000 1.321 345 H CB 1.078 30.834 29.762 -0.011 0.000 1.535 345 H HN 0.562 nan 8.280 nan 0.000 0.518 346 I N 2.395 122.967 120.570 0.003 0.000 2.496 346 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 346 I C 0.395 176.448 176.117 -0.108 0.000 1.080 346 I CA 0.449 61.659 61.300 -0.149 0.000 1.404 346 I CB 0.623 38.519 38.000 -0.174 0.000 1.403 346 I HN 0.569 nan 8.210 nan 0.000 0.539 347 E N 8.613 128.695 120.200 -0.196 0.000 2.216 347 E HA 0.506 4.855 4.350 -0.000 0.000 0.260 347 E C -0.939 175.553 176.600 -0.180 0.000 0.880 347 E CA -0.682 55.649 56.400 -0.115 0.000 0.765 347 E CB 1.217 30.879 29.700 -0.065 0.000 1.174 347 E HN 0.622 nan 8.360 nan 0.000 0.417 348 M N 1.258 120.789 119.600 -0.115 0.000 2.745 348 M HA 0.671 5.151 4.480 -0.000 0.000 0.290 348 M C -1.050 175.245 176.300 -0.008 0.000 1.262 348 M CA -0.925 54.335 55.300 -0.068 0.000 0.795 348 M CB 2.189 34.771 32.600 -0.030 0.000 1.758 348 M HN 0.263 nan 8.290 nan 0.000 0.461 349 S N -0.401 115.309 115.700 0.017 0.000 2.575 349 S HA 0.471 4.941 4.470 -0.000 0.000 0.278 349 S C 0.147 174.763 174.600 0.026 0.000 1.139 349 S CA 0.077 58.286 58.200 0.015 0.000 0.954 349 S CB 1.706 64.902 63.200 -0.008 0.000 1.054 349 S HN 0.939 nan 8.310 nan 0.000 0.483 350 T N 0.054 114.624 114.554 0.027 0.000 3.051 350 T HA 0.063 4.413 4.350 -0.000 0.000 0.255 350 T C 1.443 176.157 174.700 0.023 0.000 1.085 350 T CA 1.136 63.253 62.100 0.028 0.000 1.109 350 T CB -0.359 68.525 68.868 0.026 0.000 0.921 350 T HN 0.740 nan 8.240 nan 0.000 0.488 351 T N -2.433 112.140 114.554 0.031 0.000 3.010 351 T HA 0.639 4.989 4.350 -0.000 0.000 0.257 351 T C 1.006 175.670 174.700 -0.061 0.000 1.020 351 T CA 0.327 62.455 62.100 0.046 0.000 0.938 351 T CB 0.540 69.465 68.868 0.095 0.000 1.049 351 T HN 0.595 nan 8.240 nan 0.000 0.522 352 G N 0.703 109.342 108.800 -0.268 0.000 2.795 352 G HA2 0.484 4.444 3.960 -0.000 0.000 0.127 352 G HA3 0.484 4.444 3.960 -0.000 0.000 0.127 352 G C -1.757 172.986 174.900 -0.262 0.000 1.203 352 G CA -0.553 44.156 45.100 -0.651 0.000 1.145 352 G HN 0.535 nan 8.290 nan 0.000 0.580 353 W N 0.524 121.544 121.300 -0.467 0.000 2.509 353 W HA 0.743 5.403 4.660 -0.000 0.000 0.351 353 W C -0.393 176.077 176.519 -0.082 0.000 1.107 353 W CA -1.388 55.823 57.345 -0.224 0.000 1.264 353 W CB 1.258 30.544 29.460 -0.290 0.000 1.312 353 W HN 0.270 nan 8.180 nan 0.000 0.608 354 V N 4.428 124.387 119.914 0.075 0.000 2.508 354 V HA 0.564 4.684 4.120 -0.000 0.000 0.281 354 V C 0.972 177.083 176.094 0.027 0.000 1.041 354 V CA 0.755 63.057 62.300 0.004 0.000 1.016 354 V CB -0.304 31.530 31.823 0.018 0.000 0.984 354 V HN 1.319 nan 8.190 nan 0.000 0.478 355 G N 5.221 113.993 108.800 -0.047 0.000 2.795 355 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.664 355 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.664 355 G C 0.371 175.287 174.900 0.027 0.000 1.381 355 G CA 0.158 45.264 45.100 0.009 0.000 0.853 355 G HN 0.627 nan 8.290 nan 0.000 0.545 356 R N -0.626 119.939 120.500 0.108 0.000 2.092 356 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 356 R C 2.257 178.693 176.300 0.226 0.000 1.140 356 R CA 2.259 58.454 56.100 0.158 0.000 0.910 356 R CB -0.243 30.209 30.300 0.253 0.000 0.822 356 R HN 0.489 nan 8.270 nan 0.000 0.433 357 F N -0.372 119.726 119.950 0.247 0.000 2.680 357 F HA 0.209 4.736 4.527 -0.000 0.000 0.290 357 F C 0.744 176.599 175.800 0.091 0.000 1.114 357 F CA -0.414 57.704 58.000 0.196 0.000 1.333 357 F CB 0.592 39.694 39.000 0.170 0.000 1.091 357 F HN -0.016 nan 8.300 nan 0.000 0.606 358 R N -0.688 119.963 120.500 0.252 0.000 2.764 358 R HA 0.499 4.839 4.340 -0.000 0.000 0.270 358 R C -3.227 173.122 176.300 0.082 0.000 1.014 358 R CA -2.184 53.978 56.100 0.103 0.000 0.904 358 R CB 0.145 30.455 30.300 0.016 0.000 1.236 358 R HN -0.355 nan 8.270 nan 0.000 0.466 359 P HA -0.060 nan 4.420 nan 0.000 0.263 359 P C -0.256 177.046 177.300 0.004 0.000 1.175 359 P CA 0.211 63.313 63.100 0.002 0.000 0.761 359 P CB 0.579 32.254 31.700 -0.041 0.000 0.794 360 S N 1.764 117.477 115.700 0.021 0.000 2.587 360 S HA 0.105 4.575 4.470 -0.000 0.000 0.260 360 S C 0.243 174.838 174.600 -0.008 0.000 1.353 360 S CA -0.658 57.569 58.200 0.046 0.000 0.995 360 S CB 0.286 63.532 63.200 0.077 0.000 0.912 360 S HN 0.566 nan 8.310 nan 0.000 0.568 361 E N 1.006 121.219 120.200 0.021 0.000 2.249 361 E HA 0.398 4.748 4.350 -0.000 0.000 0.280 361 E C -2.868 173.663 176.600 -0.116 0.000 1.016 361 E CA -2.431 53.929 56.400 -0.067 0.000 0.830 361 E CB 0.732 30.409 29.700 -0.038 0.000 1.081 361 E HN 0.420 nan 8.360 nan 0.000 0.395 362 P HA 0.230 nan 4.420 nan 0.000 0.281 362 P C -0.734 176.318 177.300 -0.412 0.000 1.249 362 P CA -0.312 62.562 63.100 -0.376 0.000 0.810 362 P CB 0.813 31.968 31.700 -0.908 0.000 1.008 363 H N 2.075 121.089 119.070 -0.093 0.000 2.638 363 H HA 0.302 4.858 4.556 -0.000 0.000 0.317 363 H C -0.447 174.947 175.328 0.111 0.000 1.006 363 H CA -0.315 55.774 56.048 0.067 0.000 1.222 363 H CB 0.400 30.260 29.762 0.163 0.000 1.419 363 H HN 0.336 nan 8.280 nan 0.000 0.489 364 F N 2.046 122.180 119.950 0.307 0.000 2.396 364 F HA 0.067 4.594 4.527 -0.000 0.000 0.343 364 F C 1.522 177.510 175.800 0.312 0.000 1.104 364 F CA -0.569 57.615 58.000 0.306 0.000 1.161 364 F CB 1.228 40.342 39.000 0.191 0.000 1.146 364 F HN 0.393 nan 8.300 nan 0.000 0.522 365 T N 1.612 116.482 114.554 0.527 0.000 2.860 365 T HA 0.048 4.398 4.350 -0.000 0.000 0.299 365 T C 1.262 176.156 174.700 0.324 0.000 1.045 365 T CA -0.883 61.458 62.100 0.402 0.000 1.071 365 T CB 0.811 69.915 68.868 0.395 0.000 0.985 365 T HN 0.499 nan 8.240 nan 0.000 0.537 366 L N 1.768 123.136 121.223 0.241 0.000 2.043 366 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 366 L C 2.313 179.285 176.870 0.171 0.000 1.075 366 L CA 2.552 57.505 54.840 0.189 0.000 0.752 366 L CB -1.784 40.362 42.059 0.147 0.000 0.891 366 L HN 1.005 nan 8.230 nan 0.000 0.432 367 D N -1.632 118.870 120.400 0.169 0.000 2.264 367 D HA 0.000 4.640 4.640 -0.000 0.000 0.208 367 D C 1.555 177.943 176.300 0.147 0.000 0.966 367 D CA 0.969 55.055 54.000 0.143 0.000 0.864 367 D CB -0.448 40.429 40.800 0.130 0.000 0.933 367 D HN 0.390 nan 8.370 nan 0.000 0.499 368 G N 0.037 108.957 108.800 0.200 0.000 2.136 368 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.242 368 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.242 368 G C 0.529 175.562 174.900 0.222 0.000 0.989 368 G CA 0.315 45.523 45.100 0.180 0.000 0.682 368 G HN 0.464 nan 8.290 nan 0.000 0.522 369 N N -0.101 118.742 118.700 0.239 0.000 2.236 369 N HA 0.393 5.133 4.740 -0.000 0.000 0.196 369 N C 0.419 176.047 175.510 0.198 0.000 1.114 369 N CA 0.632 53.798 53.050 0.195 0.000 0.859 369 N CB 0.687 39.253 38.487 0.131 0.000 0.982 369 N HN 0.732 nan 8.380 nan 0.000 0.493 370 S N -0.317 115.552 115.700 0.282 0.000 2.567 370 S HA 0.651 5.121 4.470 -0.000 0.000 0.270 370 S C -1.355 173.400 174.600 0.258 0.000 1.152 370 S CA -1.148 57.118 58.200 0.110 0.000 0.835 370 S CB 0.983 64.109 63.200 -0.123 0.000 1.115 370 S HN 0.157 nan 8.310 nan 0.000 0.459 371 F N -1.240 118.622 119.950 -0.145 0.000 2.645 371 F HA 0.856 5.383 4.527 -0.000 0.000 0.310 371 F C -2.102 173.576 175.800 -0.204 0.000 1.102 371 F CA -1.476 56.388 58.000 -0.226 0.000 0.952 371 F CB 0.711 39.211 39.000 -0.834 0.000 1.326 371 F HN 0.587 nan 8.300 nan 0.000 0.456 372 Y N 1.500 121.927 120.300 0.212 0.000 2.341 372 Y HA 0.654 5.204 4.550 -0.000 0.000 0.337 372 Y C -0.354 175.699 175.900 0.255 0.000 1.014 372 Y CA -0.930 57.284 58.100 0.190 0.000 1.111 372 Y CB 1.835 40.376 38.460 0.135 0.000 1.194 372 Y HN 0.704 nan 8.280 nan 0.000 0.462 373 K N 1.353 121.959 120.400 0.343 0.000 2.512 373 K HA 0.702 5.022 4.320 -0.000 0.000 0.263 373 K C -1.624 175.105 176.600 0.214 0.000 0.966 373 K CA -0.780 55.662 56.287 0.259 0.000 0.851 373 K CB 1.905 34.485 32.500 0.133 0.000 1.395 373 K HN 0.551 nan 8.250 nan 0.000 0.440 374 I N 3.318 123.993 120.570 0.175 0.000 2.416 374 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 374 I C 0.041 176.247 176.117 0.148 0.000 1.051 374 I CA -0.460 60.931 61.300 0.152 0.000 1.375 374 I CB 0.297 38.369 38.000 0.120 0.000 1.407 374 I HN 0.643 nan 8.210 nan 0.000 0.516 375 I N 1.504 122.194 120.570 0.200 0.000 3.095 375 I HA 0.485 4.655 4.170 -0.000 0.000 0.310 375 I C -0.427 175.817 176.117 0.213 0.000 1.196 375 I CA -0.831 60.580 61.300 0.185 0.000 0.985 375 I CB 2.121 40.249 38.000 0.214 0.000 1.250 375 I HN 0.213 nan 8.210 nan 0.000 0.446 376 S N 2.728 118.494 115.700 0.110 0.000 2.531 376 S HA 0.203 4.673 4.470 -0.000 0.000 0.279 376 S C 0.187 174.831 174.600 0.073 0.000 1.305 376 S CA -0.198 58.015 58.200 0.023 0.000 1.058 376 S CB -0.032 63.120 63.200 -0.080 0.000 0.899 376 S HN 0.634 nan 8.310 nan 0.000 0.493 377 N N 1.807 120.443 118.700 -0.107 0.000 2.146 377 N HA -0.070 4.669 4.740 -0.000 0.000 0.215 377 N C 1.155 176.583 175.510 -0.137 0.000 1.313 377 N CA 0.252 53.118 53.050 -0.307 0.000 0.877 377 N CB 0.231 38.572 38.487 -0.244 0.000 1.076 377 N HN 0.624 nan 8.380 nan 0.000 0.437 378 E N 0.126 120.228 120.200 -0.163 0.000 2.216 378 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 378 E C 0.887 177.438 176.600 -0.081 0.000 0.988 378 E CA 0.769 57.120 56.400 -0.082 0.000 0.834 378 E CB 0.111 29.771 29.700 -0.067 0.000 0.772 378 E HN 0.510 nan 8.360 nan 0.000 0.479 379 E N -1.411 118.735 120.200 -0.091 0.000 2.435 379 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 379 E C 0.655 177.258 176.600 0.005 0.000 1.029 379 E CA 0.624 57.021 56.400 -0.005 0.000 0.865 379 E CB 0.355 30.068 29.700 0.022 0.000 0.833 379 E HN 0.362 nan 8.360 nan 0.000 0.510 380 G N 0.187 108.926 108.800 -0.101 0.000 2.192 380 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.193 380 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.193 380 G C -0.289 174.348 174.900 -0.439 0.000 0.999 380 G CA -0.106 44.814 45.100 -0.300 0.000 0.659 380 G HN 0.152 nan 8.290 nan 0.000 0.503 381 Y N 0.659 120.824 120.300 -0.225 0.000 2.361 381 Y HA 0.716 5.265 4.550 -0.000 0.000 0.332 381 Y C 1.076 176.820 175.900 -0.260 0.000 1.101 381 Y CA -0.822 57.129 58.100 -0.249 0.000 1.137 381 Y CB 0.948 39.257 38.460 -0.252 0.000 1.207 381 Y HN 0.047 nan 8.280 nan 0.000 0.463 382 R N 3.220 123.609 120.500 -0.185 0.000 2.267 382 R HA 0.302 4.642 4.340 -0.000 0.000 0.319 382 R C -0.794 175.268 176.300 -0.397 0.000 1.067 382 R CA 0.004 55.996 56.100 -0.178 0.000 0.936 382 R CB 0.090 30.324 30.300 -0.110 0.000 1.006 382 R HN 0.658 nan 8.270 nan 0.000 0.452 383 H N 1.603 120.650 119.070 -0.038 0.000 2.977 383 H HA 0.337 4.893 4.556 -0.000 0.000 0.350 383 H C -0.392 175.020 175.328 0.140 0.000 1.238 383 H CA -0.888 55.125 56.048 -0.057 0.000 1.124 383 H CB 1.475 31.100 29.762 -0.230 0.000 1.866 383 H HN 0.311 nan 8.280 nan 0.000 0.550 384 I N 1.182 121.882 120.570 0.216 0.000 2.371 384 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 384 I C 0.311 176.491 176.117 0.105 0.000 1.028 384 I CA 0.042 61.423 61.300 0.134 0.000 1.345 384 I CB 0.431 38.426 38.000 -0.007 0.000 1.407 384 I HN 0.118 nan 8.210 nan 0.000 0.501 385 c N 6.566 125.166 118.600 -0.001 0.000 2.411 385 c HA 0.405 4.975 4.570 -0.000 0.000 0.330 385 c C -0.375 173.592 174.090 -0.205 0.000 1.224 385 c CA -0.487 55.633 56.329 -0.349 0.000 1.770 385 c CB 0.961 43.055 42.510 -0.693 0.000 2.297 385 c HN 0.623 nan 8.230 nan 0.000 0.507 386 Y N 4.233 124.191 120.300 -0.571 0.000 2.367 386 Y HA 0.609 5.159 4.550 -0.000 0.000 0.342 386 Y C -0.931 174.492 175.900 -0.795 0.000 0.979 386 Y CA -0.817 56.834 58.100 -0.749 0.000 1.161 386 Y CB 0.083 38.200 38.460 -0.572 0.000 1.155 386 Y HN 0.589 nan 8.280 nan 0.000 0.503 387 F N 3.843 123.064 119.950 -1.215 0.000 2.469 387 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 387 F C -0.100 175.016 175.800 -1.139 0.000 1.103 387 F CA -0.820 56.438 58.000 -1.237 0.000 0.979 387 F CB 1.750 39.555 39.000 -1.991 0.000 1.137 387 F HN 0.332 nan 8.300 nan 0.000 0.463 388 Q N 2.891 122.358 119.800 -0.554 0.000 2.303 388 Q HA 0.340 4.680 4.340 -0.000 0.000 0.257 388 Q C 1.115 177.105 176.000 -0.017 0.000 0.941 388 Q CA -0.210 55.405 55.803 -0.312 0.000 0.931 388 Q CB 1.165 29.754 28.738 -0.248 0.000 1.215 388 Q HN 0.708 nan 8.270 nan 0.000 0.437 389 I N 0.000 120.642 120.570 0.120 0.000 2.381 389 I HA -0.213 3.957 4.170 -0.000 0.000 0.255 389 I C -0.009 176.307 176.117 0.331 0.000 1.140 389 I CA 1.502 63.007 61.300 0.342 0.000 1.404 389 I CB -0.102 38.105 38.000 0.346 0.000 1.075 389 I HN 0.497 nan 8.210 nan 0.000 0.433 390 D N 0.483 120.986 120.400 0.173 0.000 2.772 390 D HA 0.313 4.953 4.640 -0.000 0.000 0.272 390 D C -0.474 175.858 176.300 0.052 0.000 1.314 390 D CA -0.428 53.634 54.000 0.103 0.000 0.835 390 D CB 0.051 40.886 40.800 0.058 0.000 1.080 390 D HN 0.380 nan 8.370 nan 0.000 0.482 391 K N 0.440 120.891 120.400 0.086 0.000 2.507 391 K HA 0.256 4.576 4.320 -0.000 0.000 0.252 391 K C 0.184 176.834 176.600 0.083 0.000 0.943 391 K CA -0.863 55.438 56.287 0.023 0.000 0.808 391 K CB 1.916 34.389 32.500 -0.046 0.000 1.142 391 K HN -0.166 nan 8.250 nan 0.000 0.426 392 K N -0.437 119.968 120.400 0.008 0.000 2.288 392 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 392 K C 0.166 176.766 176.600 -0.000 0.000 1.048 392 K CA 0.866 57.177 56.287 0.042 0.000 0.956 392 K CB 0.144 32.623 32.500 -0.034 0.000 0.746 392 K HN 0.315 nan 8.250 nan 0.000 0.461 393 D N 1.964 122.304 120.400 -0.100 0.000 2.468 393 D HA 0.057 4.697 4.640 -0.000 0.000 0.218 393 D C -0.243 175.826 176.300 -0.385 0.000 1.155 393 D CA -0.426 53.456 54.000 -0.197 0.000 0.924 393 D CB 0.376 41.095 40.800 -0.134 0.000 1.029 393 D HN 0.375 nan 8.370 nan 0.000 0.515 394 c N 1.829 120.023 118.600 -0.677 0.000 2.656 394 c HA 0.613 5.183 4.570 -0.000 0.000 0.391 394 c C 0.515 174.161 174.090 -0.741 0.000 1.300 394 c CA -0.492 55.174 56.329 -1.105 0.000 2.302 394 c CB 0.441 41.609 42.510 -2.236 0.000 2.655 394 c HN 0.437 nan 8.230 nan 0.000 0.656 395 T N 2.933 117.098 114.554 -0.649 0.000 2.792 395 T HA 0.477 4.827 4.350 -0.000 0.000 0.280 395 T C -0.652 173.795 174.700 -0.422 0.000 0.990 395 T CA 0.088 61.964 62.100 -0.375 0.000 0.960 395 T CB 0.556 69.340 68.868 -0.141 0.000 0.939 395 T HN 0.516 nan 8.240 nan 0.000 0.439 396 F N 3.102 122.918 119.950 -0.223 0.000 2.467 396 F HA 0.278 4.805 4.527 -0.000 0.000 0.362 396 F C 1.587 177.194 175.800 -0.322 0.000 1.090 396 F CA -0.919 56.935 58.000 -0.244 0.000 1.202 396 F CB 0.439 39.295 39.000 -0.241 0.000 1.113 396 F HN 0.581 nan 8.300 nan 0.000 0.541 397 I N -0.812 119.632 120.570 -0.211 0.000 3.941 397 I HA 0.217 4.387 4.170 -0.000 0.000 0.321 397 I C 0.324 176.265 176.117 -0.293 0.000 1.284 397 I CA 0.125 61.105 61.300 -0.533 0.000 1.226 397 I CB 0.023 37.539 38.000 -0.806 0.000 1.045 397 I HN 0.459 nan 8.210 nan 0.000 0.420 398 T N 0.207 114.651 114.554 -0.184 0.000 2.906 398 T HA 0.713 5.063 4.350 -0.000 0.000 0.295 398 T C -0.641 173.645 174.700 -0.691 0.000 1.061 398 T CA -0.723 61.249 62.100 -0.212 0.000 1.000 398 T CB 2.561 71.400 68.868 -0.048 0.000 1.103 398 T HN 0.479 nan 8.240 nan 0.000 0.486 399 K N 0.016 119.899 120.400 -0.861 0.000 2.548 399 K HA 0.843 5.163 4.320 -0.000 0.000 0.282 399 K C -0.421 175.591 176.600 -0.981 0.000 1.006 399 K CA -1.007 54.526 56.287 -1.257 0.000 0.892 399 K CB 1.500 33.628 32.500 -0.620 0.000 1.499 399 K HN 1.575 nan 8.250 nan 0.000 0.433 400 G N 0.052 108.343 108.800 -0.848 0.000 2.428 400 G HA2 0.006 3.966 3.960 -0.000 0.000 0.681 400 G HA3 0.006 3.966 3.960 -0.000 0.000 0.681 400 G C -0.463 173.878 174.900 -0.931 0.000 1.340 400 G CA -0.467 44.251 45.100 -0.636 0.000 0.915 400 G HN 0.940 nan 8.290 nan 0.000 0.645 401 T N 0.120 114.277 114.554 -0.662 0.000 4.647 401 T HA 0.482 4.832 4.350 -0.000 0.000 0.224 401 T C 0.398 174.926 174.700 -0.287 0.000 0.928 401 T CA 0.833 62.386 62.100 -0.913 0.000 0.969 401 T CB -1.011 67.599 68.868 -0.431 0.000 1.425 401 T HN 1.475 nan 8.240 nan 0.000 1.045 402 W N -0.633 120.480 121.300 -0.312 0.000 2.895 402 W HA 0.647 5.307 4.660 -0.000 0.000 0.377 402 W C -1.147 175.344 176.519 -0.046 0.000 1.191 402 W CA -0.961 56.347 57.345 -0.061 0.000 1.179 402 W CB 0.674 30.094 29.460 -0.066 0.000 1.469 402 W HN 0.129 nan 8.180 nan 0.000 0.577 403 E N 0.579 120.885 120.200 0.177 0.000 2.369 403 E HA 0.492 4.842 4.350 -0.000 0.000 0.270 403 E C -1.250 175.395 176.600 0.075 0.000 0.909 403 E CA -1.142 55.191 56.400 -0.112 0.000 0.775 403 E CB 3.388 33.107 29.700 0.031 0.000 1.270 403 E HN 0.160 nan 8.360 nan 0.000 0.445 404 V N 3.429 123.287 119.914 -0.093 0.000 2.432 404 V HA 0.070 4.190 4.120 -0.000 0.000 0.275 404 V C 1.269 177.452 176.094 0.148 0.000 1.043 404 V CA -0.262 62.104 62.300 0.110 0.000 0.925 404 V CB 0.762 32.583 31.823 -0.003 0.000 0.985 404 V HN 0.659 nan 8.190 nan 0.000 0.466 405 I N 3.065 123.755 120.570 0.200 0.000 2.206 405 I HA 0.204 4.374 4.170 -0.000 0.000 0.239 405 I C 1.162 177.400 176.117 0.201 0.000 1.078 405 I CA 1.329 62.746 61.300 0.195 0.000 1.367 405 I CB -0.843 37.219 38.000 0.102 0.000 1.078 405 I HN 0.734 nan 8.210 nan 0.000 0.413 406 G N 0.897 109.816 108.800 0.199 0.000 2.733 406 G HA2 0.603 4.563 3.960 -0.000 0.000 0.297 406 G HA3 0.603 4.563 3.960 -0.000 0.000 0.297 406 G C -1.077 173.933 174.900 0.183 0.000 1.422 406 G CA -0.504 44.713 45.100 0.195 0.000 0.942 406 G HN 0.024 nan 8.290 nan 0.000 0.510 407 I N 2.033 122.665 120.570 0.103 0.000 2.337 407 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 407 I C 0.661 176.734 176.117 -0.073 0.000 1.046 407 I CA -0.540 60.724 61.300 -0.061 0.000 1.324 407 I CB 1.566 39.339 38.000 -0.378 0.000 1.409 407 I HN 0.475 nan 8.210 nan 0.000 0.494 408 E N 5.042 125.277 120.200 0.059 0.000 2.276 408 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 408 E C 0.323 176.897 176.600 -0.044 0.000 0.983 408 E CA 0.228 56.714 56.400 0.144 0.000 0.861 408 E CB 0.666 30.580 29.700 0.356 0.000 0.817 408 E HN 0.719 nan 8.360 nan 0.000 0.485 409 A N 0.527 123.233 122.820 -0.189 0.000 2.594 409 A HA 0.529 4.849 4.320 -0.000 0.000 0.296 409 A C -2.018 175.489 177.584 -0.128 0.000 1.056 409 A CA -0.672 51.151 52.037 -0.357 0.000 0.693 409 A CB 1.100 19.382 19.000 -1.196 0.000 1.278 409 A HN 0.032 nan 8.150 nan 0.000 0.408 410 L N 1.957 123.137 121.223 -0.072 0.000 2.406 410 L HA 0.782 5.122 4.340 -0.000 0.000 0.272 410 L C 0.459 177.348 176.870 0.032 0.000 0.980 410 L CA 0.405 55.246 54.840 0.002 0.000 0.831 410 L CB 1.777 43.860 42.059 0.040 0.000 1.253 410 L HN 1.106 nan 8.230 nan 0.000 0.406 411 T N -0.274 114.325 114.554 0.075 0.000 2.864 411 T HA 0.380 4.730 4.350 -0.000 0.000 0.276 411 T C 1.136 175.877 174.700 0.068 0.000 1.006 411 T CA 0.105 62.254 62.100 0.082 0.000 0.970 411 T CB 0.891 69.843 68.868 0.140 0.000 1.420 411 T HN 0.542 nan 8.240 nan 0.000 0.601 412 S N -0.444 115.293 115.700 0.062 0.000 2.461 412 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 412 S C 0.691 175.278 174.600 -0.023 0.000 1.005 412 S CA 0.682 58.906 58.200 0.039 0.000 0.942 412 S CB -0.445 62.781 63.200 0.043 0.000 0.776 412 S HN 0.703 nan 8.310 nan 0.000 0.514 413 D N -1.003 119.365 120.400 -0.053 0.000 2.479 413 D HA 0.232 4.872 4.640 -0.000 0.000 0.216 413 D C -0.705 175.285 176.300 -0.517 0.000 1.110 413 D CA 0.179 54.020 54.000 -0.265 0.000 0.841 413 D CB 0.316 40.947 40.800 -0.282 0.000 1.040 413 D HN 0.438 nan 8.370 nan 0.000 0.505 414 Y N 0.667 120.935 120.300 -0.053 0.000 2.457 414 Y HA 0.348 4.898 4.550 -0.000 0.000 0.343 414 Y C -0.609 175.179 175.900 -0.186 0.000 0.994 414 Y CA -1.191 56.811 58.100 -0.164 0.000 1.031 414 Y CB 2.582 40.887 38.460 -0.257 0.000 1.246 414 Y HN -0.213 nan 8.280 nan 0.000 0.449 415 L N 4.416 125.563 121.223 -0.127 0.000 2.296 415 L HA 0.510 4.850 4.340 -0.000 0.000 0.286 415 L C -1.798 174.981 176.870 -0.151 0.000 1.023 415 L CA -0.899 53.846 54.840 -0.160 0.000 0.812 415 L CB 0.291 42.162 42.059 -0.314 0.000 1.223 415 L HN 0.612 nan 8.230 nan 0.000 0.421 416 Y N 5.937 126.207 120.300 -0.050 0.000 2.341 416 Y HA 0.560 5.110 4.550 -0.000 0.000 0.337 416 Y C -0.301 175.669 175.900 0.116 0.000 1.014 416 Y CA -0.274 57.812 58.100 -0.022 0.000 1.111 416 Y CB 1.476 39.827 38.460 -0.181 0.000 1.194 416 Y HN 0.576 nan 8.280 nan 0.000 0.462 417 Y N 1.169 121.539 120.300 0.117 0.000 2.571 417 Y HA 0.721 5.271 4.550 -0.000 0.000 0.341 417 Y C -1.647 174.349 175.900 0.160 0.000 1.076 417 Y CA -1.722 56.447 58.100 0.115 0.000 1.029 417 Y CB 1.017 39.523 38.460 0.076 0.000 1.308 417 Y HN 0.294 nan 8.280 nan 0.000 0.461 418 I N 3.743 124.458 120.570 0.241 0.000 2.396 418 I HA 0.564 4.734 4.170 -0.000 0.000 0.292 418 I C 0.031 176.321 176.117 0.288 0.000 0.999 418 I CA -0.191 61.208 61.300 0.164 0.000 1.310 418 I CB 1.409 39.466 38.000 0.095 0.000 1.404 418 I HN 0.889 nan 8.210 nan 0.000 0.496 419 S N 3.642 119.493 115.700 0.251 0.000 2.625 419 S HA 0.368 4.838 4.470 -0.000 0.000 0.271 419 S C -0.409 174.279 174.600 0.146 0.000 1.161 419 S CA -0.917 57.437 58.200 0.256 0.000 0.820 419 S CB 1.793 65.213 63.200 0.367 0.000 1.137 419 S HN 0.615 nan 8.310 nan 0.000 0.470 420 N N -0.142 118.635 118.700 0.128 0.000 2.376 420 N HA 0.123 4.863 4.740 -0.000 0.000 0.249 420 N C 0.554 176.076 175.510 0.020 0.000 1.140 420 N CA -0.148 52.930 53.050 0.046 0.000 0.870 420 N CB 0.247 38.740 38.487 0.011 0.000 1.124 420 N HN 0.849 nan 8.380 nan 0.000 0.505 421 E N -0.145 119.983 120.200 -0.119 0.000 2.072 421 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 421 E C -0.309 176.184 176.600 -0.178 0.000 0.982 421 E CA 0.167 56.287 56.400 -0.467 0.000 0.803 421 E CB -0.113 28.782 29.700 -1.341 0.000 0.755 421 E HN 0.374 nan 8.360 nan 0.000 0.453 422 Y N 1.783 122.017 120.300 -0.111 0.000 2.805 422 Y HA -0.084 4.466 4.550 -0.000 0.000 0.331 422 Y C 0.425 176.282 175.900 -0.071 0.000 1.241 422 Y CA 0.841 58.903 58.100 -0.063 0.000 1.546 422 Y CB 0.239 38.682 38.460 -0.029 0.000 1.248 422 Y HN 0.104 nan 8.280 nan 0.000 0.559 423 K N 3.367 123.502 120.400 -0.441 0.000 3.193 423 K HA -0.216 4.104 4.320 -0.000 0.000 0.294 423 K C 0.667 177.188 176.600 -0.132 0.000 1.185 423 K CA 1.201 57.276 56.287 -0.354 0.000 0.866 423 K CB -1.588 30.682 32.500 -0.384 0.000 1.227 423 K HN 1.329 nan 8.250 nan 0.000 0.467 424 G N -0.042 108.696 108.800 -0.104 0.000 2.283 424 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.280 424 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.280 424 G C -0.052 174.796 174.900 -0.086 0.000 1.029 424 G CA 0.756 45.833 45.100 -0.038 0.000 0.840 424 G HN 0.298 nan 8.290 nan 0.000 0.505 425 M N -0.225 119.257 119.600 -0.197 0.000 2.055 425 M HA 0.283 4.763 4.480 -0.000 0.000 0.346 425 M C -1.729 174.307 176.300 -0.440 0.000 1.074 425 M CA -2.022 52.985 55.300 -0.488 0.000 1.009 425 M CB 1.951 34.344 32.600 -0.346 0.000 1.423 425 M HN -0.154 nan 8.290 nan 0.000 0.410 426 P HA -0.018 nan 4.420 nan 0.000 0.239 426 P C 1.116 178.273 177.300 -0.240 0.000 1.184 426 P CA 0.780 63.702 63.100 -0.297 0.000 0.760 426 P CB 0.207 31.747 31.700 -0.266 0.000 0.884 427 G N -1.117 107.494 108.800 -0.314 0.000 3.126 427 G HA2 0.265 4.225 3.960 -0.000 0.000 0.224 427 G HA3 0.265 4.225 3.960 -0.000 0.000 0.224 427 G C 0.630 175.530 174.900 0.000 0.000 1.142 427 G CA -0.004 45.028 45.100 -0.112 0.000 0.759 427 G HN 0.365 nan 8.290 nan 0.000 0.550 428 G N 0.068 108.812 108.800 -0.093 0.000 2.412 428 G HA2 0.613 4.573 3.960 -0.000 0.000 0.318 428 G HA3 0.613 4.573 3.960 -0.000 0.000 0.318 428 G C -0.734 174.044 174.900 -0.204 0.000 1.146 428 G CA -0.672 44.388 45.100 -0.065 0.000 0.882 428 G HN 0.076 nan 8.290 nan 0.000 0.501 429 R N 1.289 121.600 120.500 -0.314 0.000 2.574 429 R HA 0.451 4.790 4.340 -0.000 0.000 0.288 429 R C -1.169 175.055 176.300 -0.126 0.000 1.004 429 R CA -0.846 55.047 56.100 -0.345 0.000 0.895 429 R CB 2.152 31.991 30.300 -0.768 0.000 1.191 429 R HN 0.572 nan 8.270 nan 0.000 0.444 430 N N 1.282 119.937 118.700 -0.076 0.000 2.357 430 N HA 0.369 5.109 4.740 -0.000 0.000 0.284 430 N C -1.359 173.961 175.510 -0.316 0.000 1.236 430 N CA -0.817 52.105 53.050 -0.213 0.000 0.774 430 N CB 2.424 40.674 38.487 -0.396 0.000 1.534 430 N HN 0.220 nan 8.380 nan 0.000 0.478 431 L N 1.879 122.772 121.223 -0.549 0.000 2.289 431 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 431 L C -1.369 175.061 176.870 -0.734 0.000 1.049 431 L CA -0.179 54.370 54.840 -0.485 0.000 0.804 431 L CB -0.034 41.761 42.059 -0.440 0.000 1.195 431 L HN 0.427 nan 8.230 nan 0.000 0.428 432 Y N 3.429 123.368 120.300 -0.601 0.000 2.499 432 Y HA 0.568 5.118 4.550 -0.000 0.000 0.347 432 Y C -0.322 175.201 175.900 -0.628 0.000 0.987 432 Y CA -0.829 56.855 58.100 -0.695 0.000 1.044 432 Y CB 1.714 39.530 38.460 -1.072 0.000 1.245 432 Y HN 0.530 nan 8.280 nan 0.000 0.461 433 K N 2.535 122.734 120.400 -0.335 0.000 2.259 433 K HA 0.766 5.086 4.320 -0.000 0.000 0.252 433 K C -1.694 174.880 176.600 -0.043 0.000 0.936 433 K CA -0.766 55.260 56.287 -0.435 0.000 0.810 433 K CB 2.647 34.570 32.500 -0.962 0.000 1.143 433 K HN 0.752 nan 8.250 nan 0.000 0.427 434 I N 1.740 122.369 120.570 0.099 0.000 2.404 434 I HA 0.142 4.312 4.170 -0.000 0.000 0.293 434 I C -0.619 175.597 176.117 0.165 0.000 0.992 434 I CA -0.668 60.748 61.300 0.193 0.000 1.149 434 I CB 1.886 40.001 38.000 0.191 0.000 1.315 434 I HN 0.842 nan 8.210 nan 0.000 0.446 435 Q N 5.632 125.497 119.800 0.108 0.000 2.281 435 Q HA 0.095 4.435 4.340 -0.000 0.000 0.267 435 Q C 0.271 176.160 176.000 -0.184 0.000 1.053 435 Q CA -0.449 55.187 55.803 -0.278 0.000 0.905 435 Q CB 1.084 29.691 28.738 -0.218 0.000 1.195 435 Q HN 0.810 nan 8.270 nan 0.000 0.398 436 L N 3.256 124.313 121.223 -0.277 0.000 2.187 436 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 436 L C 2.118 178.832 176.870 -0.259 0.000 1.100 436 L CA 2.091 56.844 54.840 -0.145 0.000 0.765 436 L CB -0.785 41.176 42.059 -0.163 0.000 0.904 436 L HN 0.810 nan 8.230 nan 0.000 0.437 437 S N -2.928 112.591 115.700 -0.301 0.000 2.524 437 S HA 0.057 4.526 4.470 -0.000 0.000 0.216 437 S C 0.599 174.985 174.600 -0.356 0.000 0.987 437 S CA -0.056 57.959 58.200 -0.310 0.000 0.909 437 S CB 0.187 63.258 63.200 -0.215 0.000 0.781 437 S HN 0.413 nan 8.310 nan 0.000 0.521 438 D N -0.217 119.987 120.400 -0.326 0.000 2.375 438 D HA 0.204 4.844 4.640 -0.000 0.000 0.241 438 D C -0.502 175.736 176.300 -0.104 0.000 1.361 438 D CA -0.563 53.287 54.000 -0.249 0.000 0.995 438 D CB 0.537 41.261 40.800 -0.128 0.000 1.312 438 D HN -0.040 nan 8.370 nan 0.000 0.576 439 Y N 1.613 121.889 120.300 -0.040 0.000 2.497 439 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 439 Y C 2.393 178.295 175.900 0.004 0.000 1.137 439 Y CA 0.907 58.994 58.100 -0.022 0.000 1.285 439 Y CB -0.579 37.868 38.460 -0.023 0.000 0.991 439 Y HN 0.360 nan 8.280 nan 0.000 0.556 440 T N -0.291 114.342 114.554 0.131 0.000 2.995 440 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 440 T C 0.719 175.469 174.700 0.083 0.000 1.091 440 T CA 0.816 62.969 62.100 0.088 0.000 1.128 440 T CB -0.188 68.709 68.868 0.048 0.000 0.891 440 T HN 0.220 nan 8.240 nan 0.000 0.492 441 K N 2.421 122.870 120.400 0.082 0.000 2.231 441 K HA 0.464 4.784 4.320 -0.000 0.000 0.255 441 K C -0.802 175.871 176.600 0.122 0.000 1.108 441 K CA -0.320 56.017 56.287 0.083 0.000 0.997 441 K CB 1.201 33.741 32.500 0.067 0.000 1.549 441 K HN 0.087 nan 8.250 nan 0.000 0.419 442 V N 0.960 120.943 119.914 0.115 0.000 2.555 442 V HA 0.520 4.640 4.120 -0.000 0.000 0.302 442 V C -0.790 175.358 176.094 0.091 0.000 1.038 442 V CA -0.158 62.220 62.300 0.129 0.000 0.887 442 V CB 1.997 33.925 31.823 0.174 0.000 0.991 442 V HN 0.585 nan 8.190 nan 0.000 0.434 443 T N 5.266 119.845 114.554 0.042 0.000 2.829 443 T HA 0.375 4.725 4.350 -0.000 0.000 0.280 443 T C -0.462 174.175 174.700 -0.106 0.000 0.999 443 T CA -0.324 61.753 62.100 -0.038 0.000 0.983 443 T CB 1.202 69.998 68.868 -0.119 0.000 0.968 443 T HN 0.987 nan 8.240 nan 0.000 0.446 444 C N 4.564 123.744 119.300 -0.200 0.000 2.394 444 C HA 0.458 4.918 4.460 -0.000 0.000 0.362 444 C C 1.518 176.223 174.990 -0.475 0.000 1.268 444 C CA -0.595 58.084 59.018 -0.565 0.000 1.828 444 C CB -1.957 25.376 27.740 -0.678 0.000 2.442 444 C HN 0.975 nan 8.230 nan 0.000 0.549 445 L N 4.769 125.667 121.223 -0.543 0.000 2.513 445 L HA 0.121 4.461 4.340 -0.000 0.000 0.222 445 L C 2.241 178.801 176.870 -0.515 0.000 1.096 445 L CA 0.809 55.400 54.840 -0.416 0.000 0.857 445 L CB -0.276 41.579 42.059 -0.340 0.000 1.026 445 L HN 0.831 nan 8.230 nan 0.000 0.469 446 S N -2.306 112.965 115.700 -0.715 0.000 2.524 446 S HA -0.029 4.441 4.470 -0.000 0.000 0.222 446 S C 1.874 176.078 174.600 -0.660 0.000 1.040 446 S CA 0.080 57.716 58.200 -0.939 0.000 0.915 446 S CB -0.442 61.773 63.200 -1.643 0.000 0.831 446 S HN 0.351 nan 8.310 nan 0.000 0.492 447 C N 2.359 121.263 119.300 -0.659 0.000 2.403 447 C HA 0.039 4.499 4.460 -0.000 0.000 0.279 447 C C 2.287 177.004 174.990 -0.455 0.000 1.269 447 C CA 0.904 59.474 59.018 -0.746 0.000 1.774 447 C CB -0.955 26.033 27.740 -1.252 0.000 1.993 447 C HN 0.589 nan 8.230 nan 0.000 0.496 448 E N -0.171 119.849 120.200 -0.300 0.000 2.526 448 E HA 0.201 4.551 4.350 -0.000 0.000 0.208 448 E C 1.833 178.386 176.600 -0.077 0.000 0.997 448 E CA -0.015 56.295 56.400 -0.150 0.000 0.961 448 E CB -0.139 29.487 29.700 -0.124 0.000 1.030 448 E HN 0.606 nan 8.360 nan 0.000 0.483 449 L N 0.654 121.833 121.223 -0.073 0.000 2.017 449 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 449 L C 1.106 177.984 176.870 0.013 0.000 1.073 449 L CA 1.009 55.841 54.840 -0.014 0.000 0.745 449 L CB -0.086 41.986 42.059 0.021 0.000 0.894 449 L HN -0.019 nan 8.230 nan 0.000 0.432 450 N N -1.295 117.426 118.700 0.035 0.000 2.732 450 N HA 0.121 4.861 4.740 -0.000 0.000 0.247 450 N C -2.183 173.338 175.510 0.018 0.000 1.305 450 N CA -1.162 51.897 53.050 0.015 0.000 0.762 450 N CB 1.154 39.640 38.487 -0.002 0.000 1.361 450 N HN -0.215 nan 8.380 nan 0.000 0.545 451 P HA -0.132 nan 4.420 nan 0.000 0.216 451 P C 0.736 178.063 177.300 0.045 0.000 1.150 451 P CA 1.346 64.480 63.100 0.057 0.000 0.837 451 P CB 0.555 32.310 31.700 0.091 0.000 0.786 452 E N 0.153 120.365 120.200 0.021 0.000 2.107 452 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 452 E C 2.240 178.829 176.600 -0.018 0.000 0.982 452 E CA 0.794 57.199 56.400 0.007 0.000 0.809 452 E CB -0.750 28.950 29.700 -0.000 0.000 0.756 452 E HN 0.314 nan 8.360 nan 0.000 0.459 453 R N 0.050 120.526 120.500 -0.040 0.000 2.100 453 R HA 0.063 4.403 4.340 -0.000 0.000 0.220 453 R C 0.001 176.235 176.300 -0.110 0.000 1.091 453 R CA 0.666 56.717 56.100 -0.081 0.000 0.986 453 R CB 0.322 30.565 30.300 -0.096 0.000 0.888 453 R HN 0.072 nan 8.270 nan 0.000 0.444 454 c N 0.842 119.380 118.600 -0.103 0.000 2.344 454 c HA 0.401 4.971 4.570 -0.000 0.000 0.326 454 c C 0.033 174.035 174.090 -0.146 0.000 1.201 454 c CA -0.655 55.540 56.329 -0.223 0.000 1.410 454 c CB 1.335 43.673 42.510 -0.287 0.000 2.070 454 c HN 0.523 nan 8.230 nan 0.000 0.445 455 Q N 0.586 120.302 119.800 -0.141 0.000 2.040 455 Q HA 0.161 4.501 4.340 -0.000 0.000 0.212 455 Q C -0.834 175.167 176.000 0.001 0.000 0.766 455 Q CA -0.006 55.792 55.803 -0.008 0.000 0.967 455 Q CB 1.295 30.071 28.738 0.064 0.000 1.202 455 Q HN 0.769 nan 8.270 nan 0.000 0.446 456 Y N 0.682 120.847 120.300 -0.225 0.000 2.376 456 Y HA 0.416 4.966 4.550 -0.000 0.000 0.326 456 Y C -1.377 174.367 175.900 -0.260 0.000 0.970 456 Y CA -1.010 56.992 58.100 -0.163 0.000 1.248 456 Y CB 0.615 39.002 38.460 -0.121 0.000 1.117 456 Y HN -0.070 nan 8.280 nan 0.000 0.476 457 Y N 2.487 122.687 120.300 -0.166 0.000 2.487 457 Y HA 0.631 5.181 4.550 -0.000 0.000 0.337 457 Y C 0.170 176.008 175.900 -0.103 0.000 1.076 457 Y CA -0.471 57.560 58.100 -0.115 0.000 1.115 457 Y CB 2.228 40.584 38.460 -0.172 0.000 1.235 457 Y HN 0.521 nan 8.280 nan 0.000 0.468 458 S N 1.129 116.927 115.700 0.165 0.000 2.618 458 S HA 0.828 5.298 4.470 -0.000 0.000 0.277 458 S C -1.996 172.666 174.600 0.103 0.000 1.138 458 S CA -0.704 57.567 58.200 0.118 0.000 0.844 458 S CB 1.745 65.034 63.200 0.147 0.000 1.127 458 S HN 0.688 nan 8.310 nan 0.000 0.474 459 V N 0.849 120.806 119.914 0.071 0.000 2.888 459 V HA 0.848 4.968 4.120 -0.000 0.000 0.309 459 V C -1.084 175.026 176.094 0.027 0.000 1.114 459 V CA -0.155 62.133 62.300 -0.020 0.000 0.940 459 V CB 2.133 33.822 31.823 -0.223 0.000 1.021 459 V HN 1.160 nan 8.190 nan 0.000 0.426 460 S N 5.507 121.220 115.700 0.021 0.000 2.605 460 S HA 0.754 5.224 4.470 -0.000 0.000 0.308 460 S C -1.249 173.499 174.600 0.246 0.000 1.113 460 S CA -0.362 57.963 58.200 0.207 0.000 1.049 460 S CB 0.663 64.019 63.200 0.260 0.000 1.001 460 S HN 0.535 nan 8.310 nan 0.000 0.480 461 F N 3.016 123.138 119.950 0.287 0.000 2.422 461 F HA 0.436 4.963 4.527 -0.000 0.000 0.333 461 F C 1.285 176.783 175.800 -0.503 0.000 1.095 461 F CA -0.516 57.486 58.000 0.005 0.000 1.038 461 F CB 1.675 40.615 39.000 -0.100 0.000 1.156 461 F HN 0.637 nan 8.300 nan 0.000 0.483 462 S N 2.105 117.183 115.700 -1.037 0.000 2.587 462 S HA 0.085 4.554 4.470 -0.000 0.000 0.260 462 S C 1.196 175.573 174.600 -0.371 0.000 1.353 462 S CA -0.744 56.670 58.200 -1.309 0.000 0.995 462 S CB 0.704 63.137 63.200 -1.278 0.000 0.912 462 S HN 0.539 nan 8.310 nan 0.000 0.568 463 K N 0.921 121.216 120.400 -0.176 0.000 2.097 463 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 463 K C 1.160 177.754 176.600 -0.012 0.000 1.049 463 K CA 1.339 57.622 56.287 -0.008 0.000 0.933 463 K CB -0.400 32.146 32.500 0.078 0.000 0.717 463 K HN 0.692 nan 8.250 nan 0.000 0.442 464 E N -0.489 119.685 120.200 -0.043 0.000 2.499 464 E HA 0.227 4.577 4.350 -0.000 0.000 0.199 464 E C -0.094 176.446 176.600 -0.099 0.000 1.016 464 E CA 0.023 56.399 56.400 -0.039 0.000 0.933 464 E CB 0.415 30.113 29.700 -0.004 0.000 1.050 464 E HN 0.189 nan 8.360 nan 0.000 0.462 465 A N 1.519 124.256 122.820 -0.139 0.000 2.869 465 A HA -0.279 4.040 4.320 -0.000 0.000 0.280 465 A C 1.328 178.830 177.584 -0.137 0.000 1.458 465 A CA 1.432 53.381 52.037 -0.146 0.000 0.776 465 A CB -2.170 16.607 19.000 -0.372 0.000 1.028 465 A HN 0.245 nan 8.150 nan 0.000 0.547 466 K N -1.772 118.491 120.400 -0.229 0.000 2.361 466 K HA 0.216 4.536 4.320 -0.000 0.000 0.196 466 K C -0.138 176.060 176.600 -0.671 0.000 1.039 466 K CA 0.975 57.002 56.287 -0.433 0.000 1.001 466 K CB 0.106 32.268 32.500 -0.563 0.000 0.795 466 K HN 0.675 nan 8.250 nan 0.000 0.495 467 Y N -0.650 119.547 120.300 -0.172 0.000 2.576 467 Y HA 0.311 4.861 4.550 -0.000 0.000 0.346 467 Y C -0.917 174.976 175.900 -0.011 0.000 1.018 467 Y CA -1.347 56.670 58.100 -0.139 0.000 1.050 467 Y CB 1.634 39.983 38.460 -0.186 0.000 1.280 467 Y HN -0.061 nan 8.280 nan 0.000 0.474 468 Y N -1.045 119.323 120.300 0.113 0.000 2.513 468 Y HA 0.522 5.072 4.550 -0.000 0.000 0.340 468 Y C -1.130 174.856 175.900 0.145 0.000 1.055 468 Y CA -1.534 56.521 58.100 -0.076 0.000 1.020 468 Y CB 1.417 39.406 38.460 -0.784 0.000 1.301 468 Y HN 0.603 nan 8.280 nan 0.000 0.453 469 Q N 3.570 123.534 119.800 0.275 0.000 2.274 469 Q HA 0.551 4.891 4.340 -0.000 0.000 0.256 469 Q C -1.756 174.344 176.000 0.167 0.000 0.927 469 Q CA -0.599 55.314 55.803 0.183 0.000 0.939 469 Q CB 1.084 29.880 28.738 0.097 0.000 1.201 469 Q HN 0.946 nan 8.270 nan 0.000 0.426 470 L N 4.509 125.853 121.223 0.202 0.000 2.309 470 L HA 0.528 4.868 4.340 -0.000 0.000 0.282 470 L C -0.355 176.611 176.870 0.160 0.000 1.036 470 L CA -0.580 54.356 54.840 0.161 0.000 0.806 470 L CB 1.429 43.543 42.059 0.091 0.000 1.220 470 L HN 0.618 nan 8.230 nan 0.000 0.429 471 R N 2.637 123.212 120.500 0.126 0.000 2.310 471 R HA 0.322 4.662 4.340 -0.000 0.000 0.316 471 R C -0.913 175.288 176.300 -0.164 0.000 1.004 471 R CA -0.534 55.494 56.100 -0.121 0.000 0.900 471 R CB 1.356 31.671 30.300 0.025 0.000 1.152 471 R HN 0.569 nan 8.270 nan 0.000 0.513 472 c N 2.510 120.881 118.600 -0.381 0.000 2.452 472 c HA 0.414 4.984 4.570 -0.000 0.000 0.379 472 c C 1.521 175.370 174.090 -0.402 0.000 1.275 472 c CA -0.123 55.846 56.329 -0.601 0.000 2.056 472 c CB 0.457 42.519 42.510 -0.748 0.000 2.506 472 c HN 0.987 nan 8.230 nan 0.000 0.560 473 S N 3.247 118.796 115.700 -0.251 0.000 2.787 473 S HA 0.593 5.063 4.470 -0.000 0.000 0.255 473 S C 0.281 174.842 174.600 -0.066 0.000 1.051 473 S CA 0.302 58.426 58.200 -0.126 0.000 1.124 473 S CB 0.039 63.208 63.200 -0.052 0.000 1.104 473 S HN 1.985 nan 8.310 nan 0.000 0.623 474 G N 1.381 110.123 108.800 -0.097 0.000 2.316 474 G HA2 0.443 4.403 3.960 -0.000 0.000 0.296 474 G HA3 0.443 4.403 3.960 -0.000 0.000 0.296 474 G C -3.152 171.717 174.900 -0.052 0.000 1.399 474 G CA -0.604 44.479 45.100 -0.028 0.000 0.833 474 G HN -0.111 nan 8.290 nan 0.000 0.565 475 P HA 0.140 nan 4.420 nan 0.000 0.225 475 P C 1.503 178.807 177.300 0.007 0.000 1.156 475 P CA 1.329 64.450 63.100 0.036 0.000 0.787 475 P CB 0.183 31.898 31.700 0.026 0.000 0.802 476 G N -0.047 108.689 108.800 -0.107 0.000 2.570 476 G HA2 0.264 4.224 3.960 -0.000 0.000 0.276 476 G HA3 0.264 4.224 3.960 -0.000 0.000 0.276 476 G C -0.334 174.299 174.900 -0.445 0.000 1.346 476 G CA -0.590 44.370 45.100 -0.234 0.000 1.034 476 G HN 0.040 nan 8.290 nan 0.000 0.512 477 L N 1.123 122.027 121.223 -0.533 0.000 2.456 477 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 477 L C -1.807 174.856 176.870 -0.346 0.000 1.189 477 L CA -1.366 53.099 54.840 -0.624 0.000 0.846 477 L CB 0.795 42.589 42.059 -0.442 0.000 1.111 477 L HN 0.250 nan 8.230 nan 0.000 0.475 478 P HA 0.004 nan 4.420 nan 0.000 0.262 478 P C -0.897 176.285 177.300 -0.198 0.000 1.182 478 P CA 0.062 63.044 63.100 -0.196 0.000 0.761 478 P CB 0.488 32.174 31.700 -0.024 0.000 0.795 479 L N 5.715 126.735 121.223 -0.339 0.000 2.409 479 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 479 L C -1.701 174.943 176.870 -0.376 0.000 0.980 479 L CA -0.901 53.801 54.840 -0.230 0.000 0.826 479 L CB 0.969 42.933 42.059 -0.159 0.000 1.268 479 L HN 0.236 nan 8.230 nan 0.000 0.407 480 Y N 2.895 123.156 120.300 -0.065 0.000 2.335 480 Y HA 0.742 5.292 4.550 -0.000 0.000 0.338 480 Y C 0.413 176.212 175.900 -0.169 0.000 0.977 480 Y CA -0.451 57.594 58.100 -0.092 0.000 1.114 480 Y CB 2.105 40.492 38.460 -0.121 0.000 1.182 480 Y HN 0.679 nan 8.280 nan 0.000 0.463 481 T N 1.250 115.807 114.554 0.006 0.000 2.896 481 T HA 0.716 5.066 4.350 -0.000 0.000 0.297 481 T C -1.330 173.267 174.700 -0.172 0.000 1.108 481 T CA -0.919 61.109 62.100 -0.120 0.000 1.004 481 T CB 1.895 70.721 68.868 -0.070 0.000 1.159 481 T HN 0.540 nan 8.240 nan 0.000 0.499 482 L N 1.416 122.402 121.223 -0.395 0.000 2.346 482 L HA 0.711 5.051 4.340 -0.000 0.000 0.276 482 L C -1.208 175.288 176.870 -0.624 0.000 1.006 482 L CA -0.772 53.880 54.840 -0.312 0.000 0.817 482 L CB 1.545 43.505 42.059 -0.166 0.000 1.272 482 L HN 0.871 nan 8.230 nan 0.000 0.421 483 H N 0.563 119.431 119.070 -0.336 0.000 2.865 483 H HA 0.545 5.101 4.556 -0.000 0.000 0.372 483 H C -0.757 174.353 175.328 -0.364 0.000 1.173 483 H CA -0.786 54.958 56.048 -0.507 0.000 1.147 483 H CB 2.004 31.110 29.762 -1.094 0.000 1.805 483 H HN 0.438 nan 8.280 nan 0.000 0.553 484 S N 0.087 115.716 115.700 -0.118 0.000 2.472 484 S HA 0.309 4.779 4.470 -0.000 0.000 0.303 484 S C 0.261 174.779 174.600 -0.137 0.000 1.099 484 S CA -0.635 57.462 58.200 -0.171 0.000 1.077 484 S CB 1.677 64.797 63.200 -0.133 0.000 1.031 484 S HN 0.555 nan 8.310 nan 0.000 0.487 485 S N 2.447 118.067 115.700 -0.134 0.000 2.436 485 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 485 S C 1.966 176.564 174.600 -0.004 0.000 1.014 485 S CA 0.755 58.993 58.200 0.062 0.000 0.950 485 S CB -0.525 62.707 63.200 0.054 0.000 0.784 485 S HN 0.755 nan 8.310 nan 0.000 0.504 486 V N 3.496 123.357 119.914 -0.088 0.000 2.311 486 V HA -0.273 3.847 4.120 -0.000 0.000 0.256 486 V C 0.363 176.448 176.094 -0.014 0.000 1.077 486 V CA 2.398 64.668 62.300 -0.051 0.000 1.067 486 V CB -0.526 31.254 31.823 -0.073 0.000 0.659 486 V HN 0.854 nan 8.190 nan 0.000 0.451 487 N N -1.761 116.929 118.700 -0.017 0.000 2.581 487 N HA 0.172 4.912 4.740 -0.000 0.000 0.274 487 N C -0.627 174.881 175.510 -0.004 0.000 1.629 487 N CA 0.207 53.249 53.050 -0.013 0.000 0.884 487 N CB -0.314 38.168 38.487 -0.007 0.000 1.423 487 N HN 0.397 nan 8.380 nan 0.000 0.507 488 D N -0.275 120.141 120.400 0.027 0.000 2.686 488 D HA -0.249 4.391 4.640 -0.000 0.000 0.235 488 D C -0.415 175.910 176.300 0.042 0.000 1.160 488 D CA 0.958 55.003 54.000 0.076 0.000 0.645 488 D CB -0.514 40.321 40.800 0.059 0.000 1.039 488 D HN 0.668 nan 8.370 nan 0.000 0.423 489 K N 0.712 121.118 120.400 0.009 0.000 2.234 489 K HA 0.395 4.715 4.320 -0.000 0.000 0.282 489 K C 0.701 177.287 176.600 -0.024 0.000 1.039 489 K CA -0.245 56.039 56.287 -0.005 0.000 0.928 489 K CB 0.899 33.388 32.500 -0.018 0.000 1.039 489 K HN 0.103 nan 8.250 nan 0.000 0.470 490 G N 5.128 113.907 108.800 -0.034 0.000 2.389 490 G HA2 0.108 4.068 3.960 -0.000 0.000 0.287 490 G HA3 0.108 4.068 3.960 -0.000 0.000 0.287 490 G C 0.762 175.546 174.900 -0.193 0.000 1.126 490 G CA -0.390 44.606 45.100 -0.174 0.000 1.073 490 G HN 0.717 nan 8.290 nan 0.000 0.429 491 L N 2.047 123.121 121.223 -0.248 0.000 2.023 491 L HA 0.196 4.536 4.340 -0.000 0.000 0.205 491 L C 1.677 178.458 176.870 -0.148 0.000 1.073 491 L CA 1.130 55.882 54.840 -0.148 0.000 0.745 491 L CB -0.313 41.682 42.059 -0.108 0.000 0.900 491 L HN 0.752 nan 8.230 nan 0.000 0.435 492 R N -2.209 118.159 120.500 -0.219 0.000 2.828 492 R HA 0.310 4.650 4.340 -0.000 0.000 0.280 492 R C -1.661 174.508 176.300 -0.219 0.000 1.020 492 R CA -0.883 55.111 56.100 -0.177 0.000 0.855 492 R CB 1.236 31.468 30.300 -0.114 0.000 1.278 492 R HN -0.266 nan 8.270 nan 0.000 0.495 493 V N 3.047 122.859 119.914 -0.170 0.000 2.455 493 V HA 0.151 4.271 4.120 -0.000 0.000 0.273 493 V C 1.281 177.240 176.094 -0.225 0.000 1.045 493 V CA -0.174 62.026 62.300 -0.167 0.000 0.976 493 V CB 1.065 32.824 31.823 -0.108 0.000 0.993 493 V HN 0.612 nan 8.190 nan 0.000 0.475 494 L N 2.929 123.958 121.223 -0.323 0.000 2.357 494 L HA 0.384 4.724 4.340 -0.000 0.000 0.211 494 L C 0.558 177.165 176.870 -0.439 0.000 1.075 494 L CA 0.427 54.890 54.840 -0.628 0.000 0.830 494 L CB 0.223 41.542 42.059 -1.234 0.000 0.996 494 L HN 0.609 nan 8.230 nan 0.000 0.467 495 E N 0.303 120.408 120.200 -0.158 0.000 2.415 495 E HA 0.066 4.416 4.350 -0.000 0.000 0.302 495 E C -0.908 175.740 176.600 0.080 0.000 0.907 495 E CA -0.219 56.190 56.400 0.016 0.000 0.798 495 E CB 0.940 30.695 29.700 0.090 0.000 1.315 495 E HN 0.159 nan 8.360 nan 0.000 0.396 496 D N 3.241 123.658 120.400 0.027 0.000 2.379 496 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 496 D C -0.172 176.125 176.300 -0.004 0.000 1.065 496 D CA -0.106 53.893 54.000 -0.002 0.000 0.848 496 D CB 0.028 40.812 40.800 -0.026 0.000 0.949 496 D HN 0.470 nan 8.370 nan 0.000 0.509 497 N N 0.571 119.290 118.700 0.030 0.000 2.693 497 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 497 N C 1.101 176.609 175.510 -0.004 0.000 1.119 497 N CA 0.930 53.993 53.050 0.023 0.000 0.717 497 N CB -1.383 37.106 38.487 0.003 0.000 1.071 497 N HN 0.492 nan 8.380 nan 0.000 0.555 498 S N -0.841 114.856 115.700 -0.004 0.000 2.383 498 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 498 S C 2.129 176.731 174.600 0.003 0.000 1.030 498 S CA 1.231 59.424 58.200 -0.011 0.000 1.002 498 S CB -0.275 62.920 63.200 -0.008 0.000 0.829 498 S HN 0.528 nan 8.310 nan 0.000 0.467 499 A N 2.563 125.396 122.820 0.022 0.000 1.849 499 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 499 A C 2.295 179.902 177.584 0.038 0.000 1.202 499 A CA 1.923 53.983 52.037 0.037 0.000 0.629 499 A CB -1.239 17.793 19.000 0.054 0.000 0.834 499 A HN 0.607 nan 8.150 nan 0.000 0.447 500 L N 0.490 121.740 121.223 0.044 0.000 2.042 500 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 500 L C 2.115 178.976 176.870 -0.015 0.000 1.076 500 L CA 2.852 57.718 54.840 0.044 0.000 0.749 500 L CB -0.662 41.435 42.059 0.063 0.000 0.893 500 L HN 0.610 nan 8.230 nan 0.000 0.432 501 D N -0.715 119.663 120.400 -0.037 0.000 2.149 501 D HA -0.256 4.384 4.640 -0.000 0.000 0.198 501 D C 1.974 178.247 176.300 -0.044 0.000 0.990 501 D CA 1.086 55.049 54.000 -0.062 0.000 0.839 501 D CB 0.110 40.870 40.800 -0.067 0.000 0.948 501 D HN 0.359 nan 8.370 nan 0.000 0.460 502 K N -0.002 120.387 120.400 -0.019 0.000 2.062 502 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 502 K C 2.401 178.998 176.600 -0.004 0.000 1.051 502 K CA 0.527 56.810 56.287 -0.006 0.000 0.941 502 K CB -0.109 32.397 32.500 0.011 0.000 0.719 502 K HN 0.291 nan 8.250 nan 0.000 0.440 503 M N 0.461 120.062 119.600 0.001 0.000 2.086 503 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 503 M C 2.036 178.264 176.300 -0.121 0.000 1.067 503 M CA 1.428 56.727 55.300 -0.003 0.000 1.116 503 M CB -0.411 32.233 32.600 0.073 0.000 1.348 503 M HN 0.033 nan 8.290 nan 0.000 0.407 504 L N 0.817 121.935 121.223 -0.175 0.000 2.675 504 L HA -0.131 4.209 4.340 -0.000 0.000 0.238 504 L C 2.365 179.170 176.870 -0.108 0.000 1.155 504 L CA 0.364 55.075 54.840 -0.214 0.000 0.881 504 L CB -0.496 41.455 42.059 -0.180 0.000 1.008 504 L HN 0.474 nan 8.230 nan 0.000 0.443 505 Q N -0.325 119.436 119.800 -0.065 0.000 2.384 505 Q HA -0.034 4.306 4.340 -0.000 0.000 0.207 505 Q C 0.993 176.987 176.000 -0.010 0.000 0.904 505 Q CA 0.505 56.288 55.803 -0.032 0.000 0.933 505 Q CB -0.058 28.667 28.738 -0.021 0.000 1.077 505 Q HN 0.610 nan 8.270 nan 0.000 0.522 506 N N 0.584 119.280 118.700 -0.006 0.000 2.268 506 N HA 0.091 4.831 4.740 -0.000 0.000 0.204 506 N C -0.389 175.144 175.510 0.038 0.000 1.124 506 N CA -0.046 53.019 53.050 0.025 0.000 0.838 506 N CB 1.348 39.861 38.487 0.043 0.000 0.994 506 N HN 0.092 nan 8.380 nan 0.000 0.489 507 V N 0.564 120.484 119.914 0.009 0.000 2.686 507 V HA 0.161 4.281 4.120 -0.000 0.000 0.306 507 V C -1.137 174.968 176.094 0.017 0.000 1.065 507 V CA -0.729 61.592 62.300 0.036 0.000 0.894 507 V CB 2.242 34.093 31.823 0.047 0.000 1.004 507 V HN 0.083 nan 8.190 nan 0.000 0.424 508 Q N 6.631 126.452 119.800 0.036 0.000 2.431 508 Q HA 0.290 4.629 4.340 -0.000 0.000 0.234 508 Q C -0.349 175.635 176.000 -0.027 0.000 1.203 508 Q CA -0.237 55.554 55.803 -0.020 0.000 0.902 508 Q CB 0.659 29.376 28.738 -0.036 0.000 1.455 508 Q HN 0.626 nan 8.270 nan 0.000 0.515 509 M N 3.689 123.261 119.600 -0.047 0.000 2.241 509 M HA 0.320 4.800 4.480 -0.000 0.000 0.335 509 M C -1.966 174.279 176.300 -0.092 0.000 1.122 509 M CA -2.482 52.783 55.300 -0.059 0.000 1.164 509 M CB -0.257 32.309 32.600 -0.056 0.000 1.459 509 M HN 0.285 nan 8.290 nan 0.000 0.461 510 P HA 0.286 nan 4.420 nan 0.000 0.279 510 P C -0.862 176.366 177.300 -0.121 0.000 1.252 510 P CA -0.458 62.564 63.100 -0.129 0.000 0.811 510 P CB 0.711 32.323 31.700 -0.148 0.000 1.035 511 S N 0.398 116.015 115.700 -0.139 0.000 2.690 511 S HA 0.578 5.048 4.470 -0.000 0.000 0.291 511 S C -0.343 174.166 174.600 -0.153 0.000 1.138 511 S CA -0.677 57.450 58.200 -0.123 0.000 1.013 511 S CB 1.471 64.598 63.200 -0.123 0.000 1.053 511 S HN 0.529 nan 8.310 nan 0.000 0.539 512 K N 0.359 120.689 120.400 -0.116 0.000 2.316 512 K HA 0.456 4.776 4.320 -0.000 0.000 0.251 512 K C -1.408 175.131 176.600 -0.102 0.000 0.934 512 K CA -0.663 55.558 56.287 -0.110 0.000 0.802 512 K CB 1.470 33.930 32.500 -0.067 0.000 1.171 512 K HN 0.730 nan 8.250 nan 0.000 0.426 513 K N 5.471 125.808 120.400 -0.106 0.000 2.463 513 K HA 0.339 4.659 4.320 -0.000 0.000 0.255 513 K C -1.494 175.055 176.600 -0.086 0.000 0.942 513 K CA -0.673 55.558 56.287 -0.092 0.000 0.814 513 K CB 1.181 33.610 32.500 -0.119 0.000 1.122 513 K HN 0.602 nan 8.250 nan 0.000 0.425 514 L N 3.486 124.680 121.223 -0.047 0.000 2.317 514 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 514 L C -0.934 175.914 176.870 -0.036 0.000 1.024 514 L CA -0.105 54.730 54.840 -0.009 0.000 0.810 514 L CB 1.601 43.746 42.059 0.142 0.000 1.240 514 L HN 0.872 nan 8.230 nan 0.000 0.427 515 D N 1.723 121.982 120.400 -0.235 0.000 2.809 515 D HA 0.410 5.050 4.640 -0.000 0.000 0.336 515 D C -1.644 174.294 176.300 -0.603 0.000 1.367 515 D CA -0.107 53.648 54.000 -0.409 0.000 0.815 515 D CB 1.417 41.961 40.800 -0.427 0.000 1.381 515 D HN 0.216 nan 8.370 nan 0.000 0.471 516 F N -0.048 119.552 119.950 -0.585 0.000 2.588 516 F HA 0.795 5.322 4.527 -0.000 0.000 0.314 516 F C -0.744 175.103 175.800 0.077 0.000 1.069 516 F CA -1.128 56.607 58.000 -0.441 0.000 0.931 516 F CB 0.900 39.179 39.000 -1.203 0.000 1.260 516 F HN 0.331 nan 8.300 nan 0.000 0.465 517 I N 0.336 121.152 120.570 0.411 0.000 2.846 517 I HA 0.743 4.913 4.170 -0.000 0.000 0.307 517 I C -1.306 175.044 176.117 0.389 0.000 1.053 517 I CA -1.214 60.267 61.300 0.302 0.000 1.050 517 I CB 2.288 40.434 38.000 0.243 0.000 1.239 517 I HN 0.658 nan 8.210 nan 0.000 0.439 518 I N 4.259 124.997 120.570 0.280 0.000 2.460 518 I HA 0.529 4.699 4.170 -0.000 0.000 0.298 518 I C -0.813 175.463 176.117 0.264 0.000 0.989 518 I CA -0.707 60.763 61.300 0.283 0.000 1.173 518 I CB 1.703 39.823 38.000 0.200 0.000 1.338 518 I HN 0.442 nan 8.210 nan 0.000 0.456 519 L N 4.977 126.408 121.223 0.347 0.000 2.445 519 L HA 0.471 4.811 4.340 -0.000 0.000 0.262 519 L C -0.488 176.520 176.870 0.230 0.000 0.974 519 L CA -1.035 53.951 54.840 0.243 0.000 0.822 519 L CB 1.625 43.798 42.059 0.191 0.000 1.339 519 L HN 0.504 nan 8.230 nan 0.000 0.409 520 N N 2.403 121.177 118.700 0.124 0.000 2.689 520 N HA -0.218 4.522 4.740 -0.000 0.000 0.263 520 N C -0.128 175.437 175.510 0.090 0.000 0.987 520 N CA 1.248 54.351 53.050 0.089 0.000 0.782 520 N CB -0.895 37.629 38.487 0.062 0.000 0.903 520 N HN 0.820 nan 8.380 nan 0.000 0.547 521 E N -4.607 115.641 120.200 0.081 0.000 2.971 521 E HA -0.231 4.119 4.350 -0.000 0.000 0.278 521 E C -0.502 176.122 176.600 0.039 0.000 1.009 521 E CA 1.455 57.888 56.400 0.056 0.000 0.862 521 E CB -2.478 27.242 29.700 0.033 0.000 1.436 521 E HN 0.621 nan 8.360 nan 0.000 0.434 522 T N 0.672 115.265 114.554 0.064 0.000 2.861 522 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 522 T C 0.166 174.801 174.700 -0.109 0.000 1.003 522 T CA -0.919 61.137 62.100 -0.073 0.000 0.977 522 T CB 2.017 70.796 68.868 -0.148 0.000 0.996 522 T HN -0.025 nan 8.240 nan 0.000 0.448 523 K N 1.903 122.152 120.400 -0.251 0.000 2.218 523 K HA 0.517 4.837 4.320 -0.000 0.000 0.276 523 K C -1.096 175.242 176.600 -0.437 0.000 1.022 523 K CA -0.256 55.906 56.287 -0.208 0.000 0.946 523 K CB 0.659 32.884 32.500 -0.458 0.000 1.000 523 K HN 0.445 nan 8.250 nan 0.000 0.468 524 F N 1.413 121.444 119.950 0.134 0.000 2.536 524 F HA 0.271 4.798 4.527 -0.000 0.000 0.322 524 F C -0.546 175.353 175.800 0.166 0.000 1.144 524 F CA -0.861 57.221 58.000 0.137 0.000 0.924 524 F CB 1.016 40.095 39.000 0.131 0.000 1.181 524 F HN 0.460 nan 8.300 nan 0.000 0.438 525 W N 3.542 124.990 121.300 0.246 0.000 2.215 525 W HA 0.486 5.146 4.660 -0.000 0.000 0.342 525 W C -0.675 176.046 176.519 0.337 0.000 1.237 525 W CA -0.184 57.324 57.345 0.272 0.000 1.283 525 W CB 0.712 30.263 29.460 0.152 0.000 1.131 525 W HN 0.423 nan 8.180 nan 0.000 0.606 526 Y N -0.256 120.356 120.300 0.521 0.000 2.565 526 Y HA 0.451 5.001 4.550 -0.000 0.000 0.330 526 Y C -1.118 174.984 175.900 0.336 0.000 1.150 526 Y CA -1.864 56.521 58.100 0.475 0.000 1.055 526 Y CB 0.532 39.420 38.460 0.713 0.000 1.337 526 Y HN 0.613 nan 8.280 nan 0.000 0.457 527 Q N 3.714 123.714 119.800 0.333 0.000 2.359 527 Q HA 0.849 5.189 4.340 -0.000 0.000 0.275 527 Q C -1.489 174.622 176.000 0.184 0.000 1.082 527 Q CA -1.283 54.604 55.803 0.140 0.000 0.849 527 Q CB 3.373 32.167 28.738 0.095 0.000 1.377 527 Q HN 0.829 nan 8.270 nan 0.000 0.452 528 M N 1.935 121.565 119.600 0.051 0.000 2.271 528 M HA 0.381 4.861 4.480 -0.000 0.000 0.285 528 M C -1.488 174.746 176.300 -0.111 0.000 1.059 528 M CA -0.898 54.380 55.300 -0.036 0.000 0.940 528 M CB 2.220 34.782 32.600 -0.063 0.000 1.636 528 M HN 0.616 nan 8.290 nan 0.000 0.460 529 I N 5.166 125.667 120.570 -0.116 0.000 2.337 529 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 529 I C -0.364 175.614 176.117 -0.232 0.000 1.046 529 I CA -0.288 60.918 61.300 -0.156 0.000 1.324 529 I CB 0.152 38.078 38.000 -0.124 0.000 1.409 529 I HN 0.619 nan 8.210 nan 0.000 0.494 530 L N 8.270 129.308 121.223 -0.308 0.000 2.307 530 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 530 L C -2.212 174.483 176.870 -0.291 0.000 1.023 530 L CA -1.887 52.681 54.840 -0.454 0.000 0.810 530 L CB 1.319 42.923 42.059 -0.758 0.000 1.231 530 L HN 0.265 nan 8.230 nan 0.000 0.423 531 P HA 0.012 nan 4.420 nan 0.000 0.269 531 P C -2.432 174.817 177.300 -0.084 0.000 1.211 531 P CA -0.650 62.379 63.100 -0.119 0.000 0.781 531 P CB -0.279 31.380 31.700 -0.068 0.000 0.877 532 P HA 0.011 nan 4.420 nan 0.000 0.272 532 P C -0.482 176.723 177.300 -0.157 0.000 1.223 532 P CA 0.146 63.108 63.100 -0.230 0.000 0.784 532 P CB -0.064 31.419 31.700 -0.361 0.000 0.923 533 H N -2.374 116.738 119.070 0.069 0.000 2.713 533 H HA -0.221 4.335 4.556 -0.000 0.000 0.311 533 H C 0.080 175.478 175.328 0.117 0.000 1.175 533 H CA -0.332 55.763 56.048 0.077 0.000 1.143 533 H CB -2.355 27.441 29.762 0.057 0.000 1.434 533 H HN 0.312 nan 8.280 nan 0.000 0.418 534 F N 2.069 122.026 119.950 0.013 0.000 2.629 534 F HA 0.124 4.651 4.527 -0.000 0.000 0.369 534 F C 0.609 176.434 175.800 0.041 0.000 1.125 534 F CA 0.242 58.210 58.000 -0.055 0.000 1.330 534 F CB 0.571 39.448 39.000 -0.205 0.000 1.071 534 F HN 0.317 nan 8.300 nan 0.000 0.595 535 D N 4.953 125.003 120.400 -0.584 0.000 2.386 535 D HA 0.130 4.770 4.640 -0.000 0.000 0.247 535 D C 0.227 176.211 176.300 -0.527 0.000 1.336 535 D CA -0.553 53.228 54.000 -0.366 0.000 0.976 535 D CB 0.861 41.597 40.800 -0.106 0.000 1.257 535 D HN 0.620 nan 8.370 nan 0.000 0.570 536 K N 1.004 121.100 120.400 -0.507 0.000 2.574 536 K HA -0.065 4.255 4.320 -0.000 0.000 0.193 536 K C 0.762 177.340 176.600 -0.036 0.000 1.035 536 K CA 0.895 57.016 56.287 -0.275 0.000 0.982 536 K CB -0.107 32.323 32.500 -0.116 0.000 0.795 536 K HN 0.192 nan 8.250 nan 0.000 0.491 537 S N -0.152 115.500 115.700 -0.080 0.000 2.575 537 S HA 0.147 4.617 4.470 -0.000 0.000 0.215 537 S C 0.133 174.687 174.600 -0.078 0.000 0.966 537 S CA -0.498 57.675 58.200 -0.045 0.000 0.911 537 S CB 0.056 63.227 63.200 -0.049 0.000 0.780 537 S HN 0.194 nan 8.310 nan 0.000 0.514 538 K N 1.228 121.548 120.400 -0.132 0.000 2.156 538 K HA 0.460 4.780 4.320 -0.000 0.000 0.254 538 K C -0.931 175.507 176.600 -0.270 0.000 0.950 538 K CA -0.608 55.521 56.287 -0.263 0.000 0.849 538 K CB 1.419 33.657 32.500 -0.436 0.000 1.100 538 K HN 0.044 nan 8.250 nan 0.000 0.434 539 K N 2.224 122.461 120.400 -0.271 0.000 2.227 539 K HA 0.252 4.572 4.320 -0.000 0.000 0.280 539 K C -1.106 175.331 176.600 -0.271 0.000 1.041 539 K CA -0.336 55.856 56.287 -0.157 0.000 0.905 539 K CB 0.632 33.076 32.500 -0.093 0.000 1.068 539 K HN 0.361 nan 8.250 nan 0.000 0.470 540 Y N 3.018 123.320 120.300 0.004 0.000 2.487 540 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 540 Y C -1.940 173.879 175.900 -0.136 0.000 1.076 540 Y CA -2.632 55.451 58.100 -0.029 0.000 1.115 540 Y CB 1.057 39.573 38.460 0.093 0.000 1.235 540 Y HN 0.509 nan 8.280 nan 0.000 0.468 541 P HA 0.130 nan 4.420 nan 0.000 0.271 541 P C -1.080 176.039 177.300 -0.302 0.000 1.218 541 P CA -0.097 62.678 63.100 -0.543 0.000 0.780 541 P CB 1.377 32.324 31.700 -1.255 0.000 0.901 542 L N 2.786 123.897 121.223 -0.187 0.000 2.362 542 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 542 L C -0.826 176.234 176.870 0.317 0.000 0.998 542 L CA -1.042 53.843 54.840 0.075 0.000 0.820 542 L CB 1.480 43.601 42.059 0.104 0.000 1.270 542 L HN 0.247 nan 8.230 nan 0.000 0.415 543 L N 5.211 126.627 121.223 0.322 0.000 2.282 543 L HA 0.404 4.744 4.340 -0.000 0.000 0.288 543 L C -0.936 176.162 176.870 0.380 0.000 1.033 543 L CA -0.837 54.254 54.840 0.419 0.000 0.807 543 L CB 1.741 44.007 42.059 0.344 0.000 1.209 543 L HN 0.561 nan 8.230 nan 0.000 0.423 544 L N 5.128 126.622 121.223 0.453 0.000 2.255 544 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 544 L C -0.295 176.790 176.870 0.359 0.000 1.046 544 L CA -0.015 55.069 54.840 0.407 0.000 0.816 544 L CB 0.833 43.178 42.059 0.478 0.000 1.197 544 L HN 0.438 nan 8.230 nan 0.000 0.427 545 D N 4.355 124.929 120.400 0.290 0.000 2.339 545 D HA 0.269 4.909 4.640 -0.000 0.000 0.241 545 D C -0.895 175.458 176.300 0.088 0.000 1.183 545 D CA 0.082 54.143 54.000 0.103 0.000 0.859 545 D CB 1.215 42.140 40.800 0.209 0.000 1.067 545 D HN 0.335 nan 8.370 nan 0.000 0.484 546 V N 4.725 124.638 119.914 -0.001 0.000 2.823 546 V HA 0.480 4.600 4.120 -0.000 0.000 0.312 546 V C -1.071 175.157 176.094 0.223 0.000 1.072 546 V CA -0.416 61.972 62.300 0.147 0.000 0.937 546 V CB 1.826 33.747 31.823 0.164 0.000 1.013 546 V HN 0.594 nan 8.190 nan 0.000 0.430 547 Y N 4.693 125.076 120.300 0.138 0.000 2.972 547 Y HA 0.592 5.142 4.550 -0.000 0.000 0.229 547 Y C 1.895 177.952 175.900 0.263 0.000 0.980 547 Y CA 1.843 60.056 58.100 0.189 0.000 1.475 547 Y CB 0.129 38.679 38.460 0.151 0.000 1.459 547 Y HN 1.257 nan 8.280 nan 0.000 0.460 548 A N 0.241 123.240 122.820 0.298 0.000 3.413 548 A HA -0.192 4.128 4.320 -0.000 0.000 0.268 548 A C 1.195 178.773 177.584 -0.009 0.000 1.128 548 A CA 0.988 53.147 52.037 0.203 0.000 1.062 548 A CB -2.522 16.637 19.000 0.266 0.000 1.121 548 A HN 0.848 nan 8.150 nan 0.000 0.895 549 G N -0.614 107.957 108.800 -0.381 0.000 2.636 549 G HA2 0.446 4.406 3.960 -0.000 0.000 0.246 549 G HA3 0.446 4.406 3.960 -0.000 0.000 0.246 549 G C -2.151 172.415 174.900 -0.556 0.000 1.216 549 G CA -0.388 43.975 45.100 -1.228 0.000 0.854 549 G HN 0.345 nan 8.290 nan 0.000 0.572 550 P HA 0.110 nan 4.420 nan 0.000 0.267 550 P C 0.594 177.731 177.300 -0.271 0.000 1.205 550 P CA -0.063 62.716 63.100 -0.535 0.000 0.765 550 P CB 0.857 31.818 31.700 -1.232 0.000 0.828 551 C N 2.252 121.509 119.300 -0.072 0.000 4.417 551 C HA -0.152 4.308 4.460 -0.000 0.000 0.284 551 C C 1.020 176.072 174.990 0.103 0.000 1.379 551 C CA 1.143 60.127 59.018 -0.057 0.000 1.918 551 C CB -2.740 24.907 27.740 -0.155 0.000 1.280 551 C HN 0.804 nan 8.230 nan 0.000 0.783 552 S N -0.129 115.674 115.700 0.171 0.000 2.655 552 S HA 0.594 5.064 4.470 -0.000 0.000 0.265 552 S C -0.561 174.225 174.600 0.311 0.000 1.240 552 S CA 0.091 58.476 58.200 0.309 0.000 0.986 552 S CB 1.575 65.003 63.200 0.379 0.000 0.985 552 S HN 0.814 nan 8.310 nan 0.000 0.562 553 Q N -0.349 119.645 119.800 0.323 0.000 2.371 553 Q HA 0.303 4.643 4.340 -0.000 0.000 0.244 553 Q C -0.838 175.285 176.000 0.205 0.000 0.882 553 Q CA -0.557 55.417 55.803 0.284 0.000 0.866 553 Q CB 0.979 29.924 28.738 0.344 0.000 1.399 553 Q HN 0.641 nan 8.270 nan 0.000 0.432 554 K N 0.694 121.215 120.400 0.201 0.000 2.353 554 K HA 0.319 4.639 4.320 -0.000 0.000 0.195 554 K C -0.209 176.488 176.600 0.162 0.000 1.031 554 K CA 0.324 56.711 56.287 0.167 0.000 1.079 554 K CB 1.348 33.970 32.500 0.203 0.000 0.857 554 K HN 0.468 nan 8.250 nan 0.000 0.535 555 A N 2.836 125.767 122.820 0.185 0.000 2.412 555 A HA 0.409 4.729 4.320 -0.000 0.000 0.334 555 A C -0.666 176.995 177.584 0.128 0.000 1.419 555 A CA -0.527 51.625 52.037 0.192 0.000 0.930 555 A CB 0.015 19.191 19.000 0.294 0.000 1.149 555 A HN 0.243 nan 8.150 nan 0.000 0.515 556 D N -0.055 120.392 120.400 0.079 0.000 2.895 556 D HA 0.393 5.033 4.640 -0.000 0.000 0.320 556 D C 0.529 176.848 176.300 0.031 0.000 1.249 556 D CA 0.428 54.460 54.000 0.053 0.000 0.997 556 D CB 0.076 40.913 40.800 0.062 0.000 1.430 556 D HN 0.153 nan 8.370 nan 0.000 0.558 557 T N -2.501 112.085 114.554 0.054 0.000 3.054 557 T HA 0.313 4.663 4.350 -0.000 0.000 0.255 557 T C 0.707 175.384 174.700 -0.037 0.000 1.035 557 T CA -0.244 61.882 62.100 0.044 0.000 0.941 557 T CB -0.354 68.584 68.868 0.118 0.000 1.026 557 T HN 0.260 nan 8.240 nan 0.000 0.533 558 V N 2.628 122.408 119.914 -0.223 0.000 2.872 558 V HA 0.239 4.359 4.120 -0.000 0.000 0.307 558 V C 0.093 176.135 176.094 -0.086 0.000 1.072 558 V CA -0.486 61.642 62.300 -0.286 0.000 1.148 558 V CB 0.098 31.621 31.823 -0.501 0.000 0.954 558 V HN 0.578 nan 8.190 nan 0.000 0.490 559 F N 5.958 125.810 119.950 -0.162 0.000 2.391 559 F HA 0.565 5.092 4.527 -0.000 0.000 0.359 559 F C 0.338 176.079 175.800 -0.099 0.000 1.122 559 F CA -0.421 57.508 58.000 -0.118 0.000 1.120 559 F CB 0.308 39.246 39.000 -0.104 0.000 1.142 559 F HN 0.380 nan 8.300 nan 0.000 0.483 560 R N 6.179 126.239 120.500 -0.733 0.000 2.534 560 R HA 0.505 4.844 4.340 -0.000 0.000 0.301 560 R C -1.751 174.135 176.300 -0.690 0.000 0.961 560 R CA -1.221 54.551 56.100 -0.547 0.000 0.871 560 R CB 2.089 32.228 30.300 -0.268 0.000 1.170 560 R HN 0.645 nan 8.270 nan 0.000 0.446 561 L N 4.881 125.817 121.223 -0.479 0.000 2.335 561 L HA 0.305 4.645 4.340 -0.000 0.000 0.268 561 L C -0.947 175.863 176.870 -0.100 0.000 1.037 561 L CA -0.165 54.462 54.840 -0.357 0.000 0.895 561 L CB 0.150 42.117 42.059 -0.153 0.000 1.266 561 L HN 0.727 nan 8.230 nan 0.000 0.439 562 N N 0.784 119.351 118.700 -0.222 0.000 3.479 562 N HA 0.182 4.922 4.740 -0.000 0.000 0.336 562 N C 0.251 175.330 175.510 -0.718 0.000 1.623 562 N CA -0.779 52.005 53.050 -0.442 0.000 0.759 562 N CB -0.251 38.119 38.487 -0.195 0.000 2.016 562 N HN 0.221 nan 8.380 nan 0.000 0.637 563 W N 0.434 121.004 121.300 -1.216 0.000 2.374 563 W HA 0.227 4.887 4.660 -0.000 0.000 0.288 563 W C 1.941 178.432 176.519 -0.046 0.000 1.218 563 W CA 2.519 59.497 57.345 -0.612 0.000 1.245 563 W CB -0.909 28.344 29.460 -0.344 0.000 1.126 563 W HN 0.685 nan 8.180 nan 0.000 0.545 564 A N -0.333 122.437 122.820 -0.083 0.000 1.902 564 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 564 A C 1.956 179.438 177.584 -0.170 0.000 1.181 564 A CA 2.451 54.383 52.037 -0.174 0.000 0.623 564 A CB -1.334 17.650 19.000 -0.025 0.000 0.818 564 A HN 0.275 nan 8.150 nan 0.000 0.443 565 T N -1.070 113.398 114.554 -0.144 0.000 2.699 565 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 565 T C 1.776 176.529 174.700 0.087 0.000 1.036 565 T CA 1.906 63.908 62.100 -0.163 0.000 1.147 565 T CB -0.495 68.083 68.868 -0.483 0.000 0.862 565 T HN 0.708 nan 8.240 nan 0.000 0.446 566 Y N 1.731 122.138 120.300 0.177 0.000 2.200 566 Y HA 0.024 4.574 4.550 -0.000 0.000 0.290 566 Y C 1.937 177.841 175.900 0.007 0.000 1.137 566 Y CA 0.895 59.122 58.100 0.213 0.000 1.163 566 Y CB -0.664 37.908 38.460 0.186 0.000 0.988 566 Y HN 0.127 nan 8.280 nan 0.000 0.518 567 L N 0.156 121.018 121.223 -0.602 0.000 2.131 567 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 567 L C 2.776 179.409 176.870 -0.394 0.000 1.092 567 L CA 1.153 55.547 54.840 -0.744 0.000 0.759 567 L CB -0.836 40.818 42.059 -0.676 0.000 0.903 567 L HN 0.417 nan 8.230 nan 0.000 0.435 568 A N -1.257 121.410 122.820 -0.254 0.000 1.874 568 A HA -0.157 4.162 4.320 -0.000 0.000 0.214 568 A C 2.505 180.022 177.584 -0.113 0.000 1.189 568 A CA 1.682 53.620 52.037 -0.165 0.000 0.615 568 A CB -0.514 18.391 19.000 -0.158 0.000 0.830 568 A HN 0.322 nan 8.150 nan 0.000 0.443 569 S N -1.207 114.452 115.700 -0.068 0.000 2.345 569 S HA -0.101 4.369 4.470 -0.000 0.000 0.219 569 S C 2.090 176.701 174.600 0.019 0.000 1.031 569 S CA 2.146 60.350 58.200 0.007 0.000 0.984 569 S CB -0.520 62.751 63.200 0.118 0.000 0.874 569 S HN 0.541 nan 8.310 nan 0.000 0.451 570 T N 1.832 116.388 114.554 0.003 0.000 2.770 570 T HA 0.094 4.444 4.350 -0.000 0.000 0.258 570 T C 1.492 176.155 174.700 -0.062 0.000 1.039 570 T CA 0.960 63.067 62.100 0.012 0.000 1.143 570 T CB -0.258 68.686 68.868 0.126 0.000 0.866 570 T HN 0.344 nan 8.240 nan 0.000 0.428 571 E N 1.107 121.180 120.200 -0.212 0.000 2.489 571 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 571 E C 0.046 176.609 176.600 -0.061 0.000 1.057 571 E CA -0.063 56.247 56.400 -0.149 0.000 0.866 571 E CB -0.447 29.099 29.700 -0.257 0.000 0.916 571 E HN 0.553 nan 8.360 nan 0.000 0.500 572 N N 0.520 119.196 118.700 -0.040 0.000 2.738 572 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 572 N C -0.859 174.691 175.510 0.065 0.000 1.047 572 N CA 0.162 53.244 53.050 0.053 0.000 0.707 572 N CB -1.165 37.413 38.487 0.151 0.000 0.937 572 N HN 0.184 nan 8.380 nan 0.000 0.545 573 I N 0.595 121.141 120.570 -0.039 0.000 2.525 573 I HA 0.396 4.566 4.170 -0.000 0.000 0.301 573 I C 0.486 176.561 176.117 -0.071 0.000 0.992 573 I CA -0.870 60.404 61.300 -0.044 0.000 1.162 573 I CB 1.540 39.514 38.000 -0.044 0.000 1.332 573 I HN 0.012 nan 8.210 nan 0.000 0.458 574 I N 5.850 126.396 120.570 -0.040 0.000 2.301 574 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 574 I C -0.459 175.651 176.117 -0.012 0.000 1.046 574 I CA -0.552 60.710 61.300 -0.062 0.000 1.282 574 I CB 0.731 38.721 38.000 -0.017 0.000 1.409 574 I HN 0.174 nan 8.210 nan 0.000 0.484 575 V N 5.832 125.727 119.914 -0.030 0.000 2.465 575 V HA 0.749 4.869 4.120 -0.000 0.000 0.279 575 V C 0.389 176.503 176.094 0.033 0.000 1.045 575 V CA -0.440 61.885 62.300 0.041 0.000 0.938 575 V CB 1.153 32.990 31.823 0.024 0.000 0.986 575 V HN 0.827 nan 8.190 nan 0.000 0.467 576 A N 3.654 126.527 122.820 0.089 0.000 2.422 576 A HA 0.865 5.185 4.320 -0.000 0.000 0.302 576 A C -0.432 177.268 177.584 0.195 0.000 1.041 576 A CA -0.475 51.593 52.037 0.052 0.000 0.708 576 A CB 1.939 20.832 19.000 -0.178 0.000 1.257 576 A HN 0.702 nan 8.150 nan 0.000 0.414 577 S N 0.250 116.103 115.700 0.254 0.000 2.599 577 S HA 0.861 5.331 4.470 -0.000 0.000 0.294 577 S C -1.299 173.625 174.600 0.540 0.000 1.094 577 S CA -0.375 58.037 58.200 0.354 0.000 0.931 577 S CB 1.462 64.821 63.200 0.265 0.000 1.093 577 S HN 0.946 nan 8.310 nan 0.000 0.488 578 F N 1.487 121.666 119.950 0.382 0.000 2.574 578 F HA 0.433 4.960 4.527 -0.000 0.000 0.313 578 F C -1.747 174.272 175.800 0.365 0.000 1.130 578 F CA -0.680 57.587 58.000 0.445 0.000 0.936 578 F CB 1.522 40.794 39.000 0.454 0.000 1.219 578 F HN 0.399 nan 8.300 nan 0.000 0.445 579 D N 4.971 125.182 120.400 -0.315 0.000 2.485 579 D HA 0.328 4.968 4.640 -0.000 0.000 0.229 579 D C 0.470 176.529 176.300 -0.402 0.000 1.101 579 D CA 0.061 53.960 54.000 -0.169 0.000 0.906 579 D CB 1.412 42.269 40.800 0.094 0.000 1.019 579 D HN 0.765 nan 8.370 nan 0.000 0.516 580 G N 1.176 109.798 108.800 -0.296 0.000 2.531 580 G HA2 0.215 4.175 3.960 -0.000 0.000 0.253 580 G HA3 0.215 4.175 3.960 -0.000 0.000 0.253 580 G C 0.352 175.318 174.900 0.111 0.000 1.439 580 G CA -0.657 44.342 45.100 -0.169 0.000 1.056 580 G HN 0.285 nan 8.290 nan 0.000 0.555 581 R N -0.977 119.573 120.500 0.083 0.000 2.698 581 R HA 0.341 4.681 4.340 -0.000 0.000 0.266 581 R C 1.400 177.823 176.300 0.204 0.000 1.026 581 R CA 1.394 57.627 56.100 0.222 0.000 1.102 581 R CB 0.263 30.673 30.300 0.183 0.000 0.978 581 R HN 1.055 nan 8.270 nan 0.000 0.436 582 G N 0.680 109.596 108.800 0.194 0.000 2.234 582 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 582 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 582 G C 0.245 175.207 174.900 0.105 0.000 0.987 582 G CA 0.435 45.628 45.100 0.156 0.000 0.625 582 G HN 0.702 nan 8.290 nan 0.000 0.532 583 S N 0.459 116.233 115.700 0.123 0.000 2.579 583 S HA 0.592 5.062 4.470 -0.000 0.000 0.275 583 S C 1.029 175.656 174.600 0.045 0.000 1.345 583 S CA 0.929 59.195 58.200 0.111 0.000 1.031 583 S CB 0.960 64.254 63.200 0.157 0.000 0.892 583 S HN 1.640 nan 8.310 nan 0.000 0.529 584 G N 0.770 109.567 108.800 -0.005 0.000 2.521 584 G HA2 0.524 4.484 3.960 -0.000 0.000 0.323 584 G HA3 0.524 4.484 3.960 -0.000 0.000 0.323 584 G C -0.955 173.877 174.900 -0.114 0.000 1.211 584 G CA -0.552 44.396 45.100 -0.253 0.000 0.979 584 G HN 1.006 nan 8.290 nan 0.000 0.490 585 Y N -2.554 117.756 120.300 0.016 0.000 4.936 585 Y HA -0.215 4.335 4.550 -0.000 0.000 0.260 585 Y C 1.538 177.445 175.900 0.010 0.000 0.928 585 Y CA 1.055 59.167 58.100 0.020 0.000 1.869 585 Y CB -1.899 36.592 38.460 0.052 0.000 1.344 585 Y HN 0.532 nan 8.280 nan 0.000 0.521 586 Q N 0.490 120.323 119.800 0.054 0.000 2.157 586 Q HA 0.522 4.862 4.340 -0.000 0.000 0.229 586 Q C 1.010 176.898 176.000 -0.186 0.000 0.827 586 Q CA 0.321 56.148 55.803 0.040 0.000 1.055 586 Q CB 1.441 30.200 28.738 0.036 0.000 1.157 586 Q HN 0.559 nan 8.270 nan 0.000 0.482 587 G N 0.628 109.194 108.800 -0.391 0.000 2.707 587 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 587 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 587 G C -0.497 174.035 174.900 -0.614 0.000 1.315 587 G CA -0.493 44.087 45.100 -0.866 0.000 0.832 587 G HN 0.161 nan 8.290 nan 0.000 0.573 588 D N -0.247 119.752 120.400 -0.670 0.000 2.249 588 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 588 D C 2.223 178.262 176.300 -0.434 0.000 0.962 588 D CA 0.974 54.559 54.000 -0.692 0.000 0.860 588 D CB 0.037 40.344 40.800 -0.822 0.000 0.955 588 D HN 0.521 nan 8.370 nan 0.000 0.505 589 K N 0.435 120.639 120.400 -0.327 0.000 2.103 589 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 589 K C 1.941 178.489 176.600 -0.088 0.000 1.048 589 K CA 0.822 57.011 56.287 -0.164 0.000 0.930 589 K CB 0.054 32.477 32.500 -0.129 0.000 0.716 589 K HN 0.133 nan 8.250 nan 0.000 0.444 590 I N 0.193 120.694 120.570 -0.115 0.000 2.188 590 I HA -0.247 3.923 4.170 -0.000 0.000 0.237 590 I C 2.634 178.768 176.117 0.028 0.000 1.073 590 I CA 0.903 62.207 61.300 0.006 0.000 1.359 590 I CB -0.249 37.756 38.000 0.009 0.000 1.083 590 I HN 0.244 nan 8.210 nan 0.000 0.412 591 M N 0.318 119.867 119.600 -0.085 0.000 2.149 591 M HA -0.254 4.225 4.480 -0.000 0.000 0.261 591 M C 1.739 178.135 176.300 0.159 0.000 1.064 591 M CA 2.026 57.309 55.300 -0.029 0.000 1.102 591 M CB -0.357 32.107 32.600 -0.227 0.000 1.369 591 M HN 0.285 nan 8.290 nan 0.000 0.408 592 H N -0.926 118.088 119.070 -0.092 0.000 2.536 592 H HA 0.218 4.774 4.556 -0.000 0.000 0.276 592 H C 1.653 177.047 175.328 0.111 0.000 1.019 592 H CA 0.028 56.068 56.048 -0.013 0.000 1.159 592 H CB 0.201 29.864 29.762 -0.165 0.000 1.373 592 H HN 0.510 nan 8.280 nan 0.000 0.584 593 A N 1.307 124.271 122.820 0.240 0.000 2.066 593 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 593 A C 1.952 179.756 177.584 0.366 0.000 1.157 593 A CA 0.721 52.908 52.037 0.250 0.000 0.670 593 A CB -0.508 18.608 19.000 0.193 0.000 0.804 593 A HN 0.560 nan 8.150 nan 0.000 0.453 594 I N -3.487 117.261 120.570 0.296 0.000 3.904 594 I HA 0.190 4.359 4.170 -0.000 0.000 0.333 594 I C 0.319 176.497 176.117 0.101 0.000 1.361 594 I CA -0.554 60.853 61.300 0.180 0.000 1.116 594 I CB -0.377 37.696 38.000 0.121 0.000 1.028 594 I HN 0.137 nan 8.210 nan 0.000 0.398 595 N N 3.098 121.912 118.700 0.190 0.000 2.357 595 N HA -0.072 4.668 4.740 -0.000 0.000 0.257 595 N C 0.210 175.731 175.510 0.018 0.000 1.250 595 N CA 0.399 53.537 53.050 0.148 0.000 0.862 595 N CB 0.360 38.939 38.487 0.153 0.000 1.066 595 N HN 0.412 nan 8.380 nan 0.000 0.468 596 R N 0.856 121.335 120.500 -0.036 0.000 3.946 596 R HA -0.165 4.175 4.340 -0.000 0.000 0.329 596 R C -0.285 175.917 176.300 -0.163 0.000 1.209 596 R CA 0.790 56.846 56.100 -0.072 0.000 0.909 596 R CB -0.714 29.568 30.300 -0.030 0.000 1.355 596 R HN 0.637 nan 8.270 nan 0.000 0.539 597 R N 0.231 120.609 120.500 -0.203 0.000 2.583 597 R HA 0.222 4.562 4.340 -0.000 0.000 0.329 597 R C -0.345 175.858 176.300 -0.162 0.000 1.166 597 R CA -0.279 55.575 56.100 -0.411 0.000 1.264 597 R CB 0.346 30.380 30.300 -0.444 0.000 1.324 597 R HN 0.093 nan 8.270 nan 0.000 0.684 598 L N -0.062 121.141 121.223 -0.034 0.000 2.506 598 L HA 0.083 4.423 4.340 -0.000 0.000 0.281 598 L C 1.448 178.495 176.870 0.295 0.000 1.228 598 L CA 1.311 56.166 54.840 0.026 0.000 0.850 598 L CB 0.295 42.150 42.059 -0.340 0.000 1.110 598 L HN 0.693 nan 8.230 nan 0.000 0.496 599 G N 0.799 109.798 108.800 0.333 0.000 2.159 599 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.256 599 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.256 599 G C 0.521 175.484 174.900 0.104 0.000 0.977 599 G CA 0.635 45.911 45.100 0.294 0.000 0.652 599 G HN 0.817 nan 8.290 nan 0.000 0.531 600 T N -2.614 111.935 114.554 -0.009 0.000 3.074 600 T HA 0.486 4.836 4.350 -0.000 0.000 0.182 600 T C 1.701 176.318 174.700 -0.137 0.000 0.747 600 T CA 1.020 62.990 62.100 -0.216 0.000 1.884 600 T CB -0.237 68.277 68.868 -0.591 0.000 2.388 600 T HN 0.179 nan 8.240 nan 0.000 0.421 601 F N 3.330 123.314 119.950 0.056 0.000 2.154 601 F HA 0.019 4.546 4.527 -0.000 0.000 0.301 601 F C 2.822 178.662 175.800 0.067 0.000 1.087 601 F CA 1.221 59.249 58.000 0.047 0.000 1.274 601 F CB -0.908 38.117 39.000 0.042 0.000 1.009 601 F HN 0.554 nan 8.300 nan 0.000 0.485 602 E N 0.974 121.319 120.200 0.241 0.000 2.153 602 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 602 E C 2.283 178.999 176.600 0.193 0.000 0.988 602 E CA 1.749 58.283 56.400 0.223 0.000 0.811 602 E CB -1.041 28.800 29.700 0.235 0.000 0.746 602 E HN 0.388 nan 8.360 nan 0.000 0.466 603 V N 0.553 120.548 119.914 0.135 0.000 2.599 603 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 603 V C 1.958 178.094 176.094 0.070 0.000 1.046 603 V CA 1.535 63.877 62.300 0.071 0.000 1.065 603 V CB -0.164 31.645 31.823 -0.023 0.000 0.703 603 V HN 0.123 nan 8.190 nan 0.000 0.464 604 E N 0.111 120.366 120.200 0.091 0.000 2.118 604 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 604 E C 1.810 178.450 176.600 0.067 0.000 0.992 604 E CA 1.800 58.255 56.400 0.091 0.000 0.804 604 E CB -0.114 29.682 29.700 0.160 0.000 0.741 604 E HN 0.637 nan 8.360 nan 0.000 0.458 605 D N -0.141 120.322 120.400 0.105 0.000 2.194 605 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 605 D C 1.924 178.243 176.300 0.030 0.000 0.964 605 D CA 0.625 54.675 54.000 0.083 0.000 0.846 605 D CB 0.021 40.943 40.800 0.202 0.000 0.962 605 D HN 0.050 nan 8.370 nan 0.000 0.490 606 Q N 0.059 119.931 119.800 0.121 0.000 2.123 606 Q HA 0.038 4.378 4.340 -0.000 0.000 0.199 606 Q C 2.450 178.490 176.000 0.068 0.000 0.966 606 Q CA 0.400 56.277 55.803 0.123 0.000 0.845 606 Q CB 0.040 28.886 28.738 0.179 0.000 0.907 606 Q HN 0.409 nan 8.270 nan 0.000 0.439 607 I N 0.727 121.349 120.570 0.087 0.000 2.252 607 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 607 I C 2.346 178.421 176.117 -0.070 0.000 1.102 607 I CA 0.851 62.242 61.300 0.151 0.000 1.385 607 I CB -0.119 37.958 38.000 0.128 0.000 1.064 607 I HN 0.089 nan 8.210 nan 0.000 0.414 608 E N 1.278 121.379 120.200 -0.165 0.000 2.058 608 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 608 E C 2.267 178.537 176.600 -0.550 0.000 0.997 608 E CA 1.688 57.913 56.400 -0.291 0.000 0.801 608 E CB -0.354 29.196 29.700 -0.250 0.000 0.746 608 E HN 0.437 nan 8.360 nan 0.000 0.450 609 A N 1.145 123.455 122.820 -0.850 0.000 1.892 609 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 609 A C 2.460 179.262 177.584 -1.303 0.000 1.188 609 A CA 2.906 54.124 52.037 -1.364 0.000 0.631 609 A CB -1.004 17.128 19.000 -1.446 0.000 0.822 609 A HN 0.334 nan 8.150 nan 0.000 0.447 610 A N -0.329 122.145 122.820 -0.576 0.000 1.865 610 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 610 A C 2.222 179.566 177.584 -0.400 0.000 1.191 610 A CA 1.859 53.714 52.037 -0.304 0.000 0.623 610 A CB -0.579 18.312 19.000 -0.181 0.000 0.826 610 A HN 0.569 nan 8.150 nan 0.000 0.444 611 R N -0.814 119.455 120.500 -0.385 0.000 2.096 611 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 611 R C 2.540 178.637 176.300 -0.338 0.000 1.139 611 R CA 1.712 57.625 56.100 -0.312 0.000 0.952 611 R CB -0.348 29.801 30.300 -0.251 0.000 0.854 611 R HN 0.586 nan 8.270 nan 0.000 0.436 612 Q N -0.285 119.221 119.800 -0.489 0.000 2.050 612 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 612 Q C 2.090 177.860 176.000 -0.384 0.000 0.980 612 Q CA 1.523 57.048 55.803 -0.464 0.000 0.840 612 Q CB -0.192 28.192 28.738 -0.589 0.000 0.898 612 Q HN 0.321 nan 8.270 nan 0.000 0.424 613 F N 1.028 120.810 119.950 -0.280 0.000 2.234 613 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 613 F C 2.634 178.240 175.800 -0.325 0.000 1.087 613 F CA 1.200 59.017 58.000 -0.304 0.000 1.340 613 F CB -1.205 37.648 39.000 -0.246 0.000 1.031 613 F HN 0.066 nan 8.300 nan 0.000 0.500 614 S N -0.741 114.889 115.700 -0.117 0.000 2.481 614 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 614 S C 1.774 176.273 174.600 -0.168 0.000 0.996 614 S CA 0.465 58.576 58.200 -0.149 0.000 0.942 614 S CB -0.271 62.837 63.200 -0.154 0.000 0.768 614 S HN 0.149 nan 8.310 nan 0.000 0.520 615 K N 1.075 121.373 120.400 -0.170 0.000 2.432 615 K HA 0.291 4.611 4.320 -0.000 0.000 0.196 615 K C 1.516 178.026 176.600 -0.149 0.000 1.038 615 K CA 0.406 56.609 56.287 -0.141 0.000 0.986 615 K CB -0.390 32.035 32.500 -0.124 0.000 0.782 615 K HN 0.523 nan 8.250 nan 0.000 0.485 616 M N -0.855 118.600 119.600 -0.241 0.000 2.619 616 M HA -0.019 4.461 4.480 -0.000 0.000 0.251 616 M C 1.165 177.291 176.300 -0.291 0.000 1.106 616 M CA 0.971 56.097 55.300 -0.290 0.000 1.086 616 M CB 0.062 32.404 32.600 -0.430 0.000 1.465 616 M HN 0.374 nan 8.290 nan 0.000 0.506 617 G N 0.902 109.546 108.800 -0.261 0.000 2.284 617 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.230 617 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.230 617 G C 0.495 175.401 174.900 0.010 0.000 1.021 617 G CA 0.283 45.340 45.100 -0.071 0.000 0.619 617 G HN 0.594 nan 8.290 nan 0.000 0.510 618 F N 0.868 120.875 119.950 0.094 0.000 2.660 618 F HA 0.755 5.282 4.527 -0.000 0.000 0.297 618 F C 0.096 176.010 175.800 0.191 0.000 1.132 618 F CA -0.892 57.191 58.000 0.139 0.000 1.372 618 F CB 0.323 39.456 39.000 0.222 0.000 1.003 618 F HN 0.082 nan 8.300 nan 0.000 0.524 619 V N 1.301 121.199 119.914 -0.027 0.000 2.447 619 V HA 0.157 4.277 4.120 -0.000 0.000 0.292 619 V C -0.884 175.182 176.094 -0.047 0.000 1.021 619 V CA -0.883 61.403 62.300 -0.022 0.000 0.850 619 V CB 1.474 33.212 31.823 -0.143 0.000 1.005 619 V HN 0.115 nan 8.190 nan 0.000 0.426 620 D N 3.639 124.016 120.400 -0.039 0.000 2.342 620 D HA 0.040 4.680 4.640 -0.000 0.000 0.260 620 D C 1.159 177.421 176.300 -0.063 0.000 1.278 620 D CA -0.078 53.883 54.000 -0.065 0.000 0.910 620 D CB 0.686 41.434 40.800 -0.087 0.000 1.079 620 D HN 0.683 nan 8.370 nan 0.000 0.496 621 N N 3.023 121.685 118.700 -0.064 0.000 2.571 621 N HA -0.099 4.641 4.740 -0.000 0.000 0.189 621 N C 0.791 176.275 175.510 -0.043 0.000 1.154 621 N CA 0.372 53.380 53.050 -0.069 0.000 0.907 621 N CB 0.161 38.591 38.487 -0.095 0.000 0.977 621 N HN 0.220 nan 8.380 nan 0.000 0.449 622 K N 0.202 120.589 120.400 -0.023 0.000 2.444 622 K HA 0.139 4.459 4.320 -0.000 0.000 0.193 622 K C 0.175 176.815 176.600 0.067 0.000 1.024 622 K CA 0.187 56.480 56.287 0.010 0.000 1.077 622 K CB 0.406 32.908 32.500 0.003 0.000 0.833 622 K HN 0.299 nan 8.250 nan 0.000 0.517 623 R N 0.726 121.262 120.500 0.061 0.000 2.638 623 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 623 R C -0.884 175.529 176.300 0.189 0.000 1.393 623 R CA -0.134 56.064 56.100 0.162 0.000 1.531 623 R CB 0.452 30.685 30.300 -0.111 0.000 1.327 623 R HN -0.033 nan 8.270 nan 0.000 0.709 624 I N 0.968 121.696 120.570 0.264 0.000 2.336 624 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 624 I C 0.370 176.799 176.117 0.520 0.000 0.991 624 I CA -0.499 60.989 61.300 0.313 0.000 1.227 624 I CB 1.814 39.827 38.000 0.021 0.000 1.366 624 I HN 0.199 nan 8.210 nan 0.000 0.466 625 A N 6.883 130.097 122.820 0.657 0.000 2.392 625 A HA 0.954 5.274 4.320 -0.000 0.000 0.283 625 A C -0.898 177.029 177.584 0.572 0.000 1.197 625 A CA -0.677 51.664 52.037 0.507 0.000 0.895 625 A CB 1.777 20.885 19.000 0.180 0.000 1.400 625 A HN 0.736 nan 8.150 nan 0.000 0.461 626 I N -0.343 120.475 120.570 0.412 0.000 2.743 626 I HA 0.609 4.779 4.170 -0.000 0.000 0.292 626 I C -2.076 174.291 176.117 0.417 0.000 1.343 626 I CA -0.486 61.004 61.300 0.316 0.000 1.038 626 I CB 1.511 39.415 38.000 -0.160 0.000 1.311 626 I HN 0.967 nan 8.210 nan 0.000 0.426 627 W N 6.481 127.899 121.300 0.197 0.000 3.075 627 W HA 0.899 5.559 4.660 0.000 0.000 0.334 627 W C -1.412 175.256 176.519 0.249 0.000 1.243 627 W CA -1.217 56.256 57.345 0.212 0.000 1.170 627 W CB 0.994 30.625 29.460 0.284 0.000 1.452 627 W HN 0.868 nan 8.180 nan 0.000 0.572 628 G N 0.410 109.255 108.800 0.074 0.000 2.667 628 G HA2 0.457 4.417 3.960 -0.000 0.000 0.294 628 G HA3 0.457 4.417 3.960 -0.000 0.000 0.294 628 G C -2.675 172.307 174.900 0.136 0.000 1.467 628 G CA -0.704 44.339 45.100 -0.095 0.000 0.852 628 G HN 0.618 nan 8.290 nan 0.000 0.521 629 W N 1.196 122.496 121.300 -0.001 0.000 2.639 629 W HA 0.652 5.312 4.660 -0.000 0.000 0.347 629 W C 0.859 177.486 176.519 0.179 0.000 1.067 629 W CA 0.383 57.783 57.345 0.092 0.000 1.218 629 W CB 1.822 31.347 29.460 0.108 0.000 1.393 629 W HN 1.004 nan 8.180 nan 0.000 0.557 630 S N 1.150 117.183 115.700 0.556 0.000 4.059 630 S HA -0.421 4.049 4.470 -0.000 0.000 0.624 630 S C 0.961 175.676 174.600 0.192 0.000 2.019 630 S CA 1.612 60.114 58.200 0.503 0.000 4.197 630 S CB -1.732 61.908 63.200 0.732 0.000 0.215 630 S HN 0.735 nan 8.310 nan 0.000 0.609 631 Y N 2.373 122.623 120.300 -0.084 0.000 2.151 631 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 631 Y C 2.348 178.178 175.900 -0.117 0.000 1.166 631 Y CA 2.597 60.577 58.100 -0.199 0.000 1.163 631 Y CB -1.025 37.144 38.460 -0.484 0.000 0.974 631 Y HN 0.533 nan 8.280 nan 0.000 0.511 632 G N -1.027 107.770 108.800 -0.006 0.000 2.422 632 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 632 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 632 G C 1.930 176.884 174.900 0.089 0.000 1.146 632 G CA 0.759 45.922 45.100 0.106 0.000 0.769 632 G HN 0.601 nan 8.290 nan 0.000 0.547 633 G N 0.051 108.911 108.800 0.100 0.000 2.446 633 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 633 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 633 G C 1.606 176.520 174.900 0.023 0.000 1.168 633 G CA 1.206 46.338 45.100 0.053 0.000 0.771 633 G HN 0.442 nan 8.290 nan 0.000 0.551 634 Y N 1.420 121.619 120.300 -0.170 0.000 2.097 634 Y HA -0.191 4.359 4.550 -0.000 0.000 0.282 634 Y C 2.868 178.660 175.900 -0.179 0.000 1.152 634 Y CA 1.965 59.908 58.100 -0.261 0.000 1.136 634 Y CB -0.557 37.594 38.460 -0.515 0.000 0.975 634 Y HN 0.039 nan 8.280 nan 0.000 0.498 635 V N -0.169 119.635 119.914 -0.183 0.000 2.287 635 V HA -0.377 3.743 4.120 -0.000 0.000 0.248 635 V C 2.319 178.310 176.094 -0.172 0.000 1.053 635 V CA 2.510 64.705 62.300 -0.176 0.000 1.027 635 V CB -1.388 30.464 31.823 0.048 0.000 0.646 635 V HN 0.518 nan 8.190 nan 0.000 0.447 636 T N -0.086 114.418 114.554 -0.083 0.000 2.665 636 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 636 T C 2.150 176.793 174.700 -0.094 0.000 1.035 636 T CA 2.054 64.112 62.100 -0.070 0.000 1.151 636 T CB -0.354 68.546 68.868 0.053 0.000 0.862 636 T HN 0.512 nan 8.240 nan 0.000 0.438 637 S N 1.065 116.738 115.700 -0.046 0.000 2.359 637 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 637 S C 2.154 176.660 174.600 -0.156 0.000 1.035 637 S CA 1.058 59.253 58.200 -0.008 0.000 1.018 637 S CB -0.324 62.892 63.200 0.027 0.000 0.876 637 S HN 0.350 nan 8.310 nan 0.000 0.448 638 M N 0.745 120.165 119.600 -0.299 0.000 2.213 638 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 638 M C 2.145 178.288 176.300 -0.262 0.000 1.062 638 M CA 0.991 56.098 55.300 -0.322 0.000 1.105 638 M CB -1.154 31.141 32.600 -0.507 0.000 1.385 638 M HN 0.186 nan 8.290 nan 0.000 0.417 639 V N 0.472 120.226 119.914 -0.267 0.000 2.453 639 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 639 V C 2.383 178.292 176.094 -0.308 0.000 1.048 639 V CA 1.252 63.396 62.300 -0.261 0.000 1.049 639 V CB -0.444 31.162 31.823 -0.362 0.000 0.672 639 V HN 0.394 nan 8.190 nan 0.000 0.457 640 L N 0.103 121.074 121.223 -0.421 0.000 2.156 640 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 640 L C 2.414 178.771 176.870 -0.855 0.000 1.095 640 L CA 1.407 55.906 54.840 -0.568 0.000 0.770 640 L CB -0.700 40.996 42.059 -0.605 0.000 0.914 640 L HN 0.451 nan 8.230 nan 0.000 0.439 641 G N -1.011 107.280 108.800 -0.848 0.000 2.712 641 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.212 641 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.212 641 G C 1.720 176.457 174.900 -0.271 0.000 1.142 641 G CA 0.684 45.415 45.100 -0.616 0.000 0.789 641 G HN 0.455 nan 8.290 nan 0.000 0.535 642 S N 0.080 115.648 115.700 -0.219 0.000 2.419 642 S HA 0.192 4.662 4.470 -0.000 0.000 0.233 642 S C 2.028 176.580 174.600 -0.080 0.000 1.016 642 S CA 1.238 59.370 58.200 -0.113 0.000 0.974 642 S CB -0.505 62.648 63.200 -0.077 0.000 0.786 642 S HN 1.523 nan 8.310 nan 0.000 0.492 643 G N 1.053 109.793 108.800 -0.099 0.000 2.176 643 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.252 643 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.252 643 G C 0.946 175.833 174.900 -0.022 0.000 1.024 643 G CA 1.098 46.164 45.100 -0.056 0.000 0.755 643 G HN 1.373 nan 8.290 nan 0.000 0.507 644 S N -0.640 115.060 115.700 0.001 0.000 2.383 644 S HA 0.193 4.663 4.470 -0.000 0.000 0.229 644 S C 2.698 177.300 174.600 0.004 0.000 1.030 644 S CA 1.964 60.178 58.200 0.024 0.000 1.002 644 S CB -0.433 62.828 63.200 0.101 0.000 0.829 644 S HN 2.487 nan 8.310 nan 0.000 0.467 645 G N -0.395 108.414 108.800 0.014 0.000 2.179 645 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 645 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 645 G C 0.765 175.644 174.900 -0.035 0.000 0.977 645 G CA 0.450 45.547 45.100 -0.004 0.000 0.641 645 G HN 0.809 nan 8.290 nan 0.000 0.533 646 V N -0.650 119.222 119.914 -0.070 0.000 2.535 646 V HA 0.291 4.411 4.120 -0.000 0.000 0.246 646 V C 1.183 177.061 176.094 -0.361 0.000 1.045 646 V CA 1.399 63.511 62.300 -0.314 0.000 1.058 646 V CB -0.342 31.115 31.823 -0.609 0.000 0.689 646 V HN 0.283 nan 8.190 nan 0.000 0.461 647 F N 0.387 120.349 119.950 0.019 0.000 2.415 647 F HA 0.401 4.927 4.527 -0.000 0.000 0.348 647 F C 1.179 177.012 175.800 0.056 0.000 1.119 647 F CA -0.536 57.498 58.000 0.058 0.000 1.069 647 F CB 1.311 40.346 39.000 0.058 0.000 1.124 647 F HN -0.212 nan 8.300 nan 0.000 0.472 648 K N 2.090 122.626 120.400 0.226 0.000 2.103 648 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 648 K C 0.131 176.824 176.600 0.156 0.000 1.052 648 K CA 1.106 57.488 56.287 0.157 0.000 0.945 648 K CB 0.183 32.770 32.500 0.144 0.000 0.722 648 K HN 0.819 nan 8.250 nan 0.000 0.443 649 c N -3.462 115.257 118.600 0.198 0.000 3.320 649 c HA 0.874 5.444 4.570 -0.000 0.000 0.335 649 c C -0.319 173.955 174.090 0.306 0.000 1.430 649 c CA -0.466 56.001 56.329 0.231 0.000 1.271 649 c CB 1.132 43.686 42.510 0.074 0.000 1.609 649 c HN 0.348 nan 8.230 nan 0.000 0.457 650 G N -0.090 108.972 108.800 0.437 0.000 2.601 650 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 650 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 650 G C -2.023 173.078 174.900 0.335 0.000 1.456 650 G CA -0.677 44.653 45.100 0.383 0.000 0.804 650 G HN 1.058 nan 8.290 nan 0.000 0.499 651 I N 0.411 121.143 120.570 0.270 0.000 2.498 651 I HA 0.656 4.826 4.170 -0.000 0.000 0.290 651 I C 0.049 176.250 176.117 0.139 0.000 1.032 651 I CA -1.074 60.263 61.300 0.061 0.000 1.073 651 I CB 2.295 40.330 38.000 0.059 0.000 1.251 651 I HN 0.690 nan 8.210 nan 0.000 0.426 652 A N 6.068 128.854 122.820 -0.057 0.000 2.319 652 A HA 0.758 5.078 4.320 -0.000 0.000 0.310 652 A C -0.909 176.560 177.584 -0.191 0.000 1.152 652 A CA -0.509 51.515 52.037 -0.022 0.000 0.783 652 A CB 1.349 20.392 19.000 0.073 0.000 1.184 652 A HN 0.431 nan 8.150 nan 0.000 0.474 653 V N 2.249 122.022 119.914 -0.235 0.000 2.370 653 V HA 0.562 4.682 4.120 -0.000 0.000 0.283 653 V C 0.890 176.613 176.094 -0.620 0.000 1.023 653 V CA 0.452 62.407 62.300 -0.574 0.000 0.857 653 V CB 0.733 31.935 31.823 -1.036 0.000 0.985 653 V HN 2.163 nan 8.190 nan 0.000 0.443 654 A N 5.960 128.364 122.820 -0.694 0.000 2.466 654 A HA -0.095 4.225 4.320 -0.000 0.000 0.295 654 A C -1.854 175.474 177.584 -0.428 0.000 1.465 654 A CA 0.313 51.790 52.037 -0.933 0.000 0.744 654 A CB -1.565 17.104 19.000 -0.551 0.000 1.098 654 A HN 0.598 nan 8.150 nan 0.000 0.402 655 P HA 0.450 nan 4.420 nan 0.000 0.276 655 P C 0.212 177.452 177.300 -0.101 0.000 1.252 655 P CA -0.271 62.758 63.100 -0.119 0.000 0.802 655 P CB 1.108 32.766 31.700 -0.070 0.000 1.035 656 V N 1.484 121.291 119.914 -0.178 0.000 2.732 656 V HA 0.125 4.245 4.120 -0.000 0.000 0.297 656 V C 1.627 177.577 176.094 -0.241 0.000 1.060 656 V CA 0.780 62.855 62.300 -0.376 0.000 1.038 656 V CB 0.868 32.093 31.823 -0.996 0.000 1.003 656 V HN 0.833 nan 8.190 nan 0.000 0.481 657 S N 3.466 119.034 115.700 -0.220 0.000 2.670 657 S HA 0.271 4.741 4.470 -0.000 0.000 0.241 657 S C 0.417 174.883 174.600 -0.224 0.000 1.077 657 S CA -0.517 57.618 58.200 -0.108 0.000 0.899 657 S CB 0.385 63.577 63.200 -0.013 0.000 0.835 657 S HN 0.801 nan 8.310 nan 0.000 0.481 658 R N -1.074 119.172 120.500 -0.423 0.000 2.651 658 R HA 0.568 4.908 4.340 -0.000 0.000 0.278 658 R C -0.824 175.129 176.300 -0.579 0.000 1.010 658 R CA -0.948 54.839 56.100 -0.522 0.000 0.896 658 R CB 0.177 30.181 30.300 -0.493 0.000 1.211 658 R HN 0.133 nan 8.270 nan 0.000 0.456 659 W N 0.986 122.186 121.300 -0.166 0.000 2.392 659 W HA -0.053 4.607 4.660 -0.000 0.000 0.279 659 W C 1.230 177.847 176.519 0.164 0.000 1.225 659 W CA 1.023 58.332 57.345 -0.059 0.000 1.233 659 W CB 0.113 29.425 29.460 -0.246 0.000 1.122 659 W HN 0.747 nan 8.180 nan 0.000 0.561 660 E N -1.036 119.325 120.200 0.269 0.000 2.333 660 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 660 E C 1.418 178.160 176.600 0.237 0.000 1.007 660 E CA 0.907 57.437 56.400 0.216 0.000 0.845 660 E CB -0.228 29.500 29.700 0.047 0.000 0.766 660 E HN 0.365 nan 8.360 nan 0.000 0.507 661 Y N -1.506 118.885 120.300 0.151 0.000 2.475 661 Y HA 0.029 4.579 4.550 -0.000 0.000 0.289 661 Y C 0.818 176.812 175.900 0.157 0.000 1.121 661 Y CA -0.185 57.978 58.100 0.106 0.000 1.257 661 Y CB -0.513 37.961 38.460 0.023 0.000 1.026 661 Y HN 0.025 nan 8.280 nan 0.000 0.555 662 Y N 2.007 122.448 120.300 0.235 0.000 2.295 662 Y HA 0.245 4.795 4.550 -0.000 0.000 0.331 662 Y C 0.447 176.558 175.900 0.351 0.000 1.311 662 Y CA -1.717 56.531 58.100 0.245 0.000 1.430 662 Y CB 0.325 38.941 38.460 0.260 0.000 1.339 662 Y HN 0.204 nan 8.280 nan 0.000 0.552 663 D N -0.507 119.726 120.400 -0.278 0.000 2.357 663 D HA 0.119 4.759 4.640 -0.000 0.000 0.242 663 D C 0.889 177.237 176.300 0.079 0.000 1.153 663 D CA 0.258 54.137 54.000 -0.202 0.000 0.918 663 D CB 1.051 41.462 40.800 -0.649 0.000 1.181 663 D HN 0.501 nan 8.370 nan 0.000 0.435 664 S N 1.152 116.875 115.700 0.038 0.000 2.351 664 S HA -0.243 4.227 4.470 -0.000 0.000 0.220 664 S C 1.974 176.625 174.600 0.086 0.000 1.035 664 S CA 1.254 59.517 58.200 0.106 0.000 1.031 664 S CB -1.079 62.182 63.200 0.101 0.000 0.928 664 S HN 0.439 nan 8.310 nan 0.000 0.433 665 V N 0.795 120.696 119.914 -0.021 0.000 2.332 665 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 665 V C 2.286 178.325 176.094 -0.091 0.000 1.055 665 V CA 2.239 64.428 62.300 -0.185 0.000 1.038 665 V CB -1.035 30.511 31.823 -0.462 0.000 0.651 665 V HN 0.597 nan 8.190 nan 0.000 0.450 666 Y N 1.326 121.617 120.300 -0.015 0.000 2.153 666 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 666 Y C 2.758 178.710 175.900 0.086 0.000 1.119 666 Y CA 2.234 60.405 58.100 0.118 0.000 1.116 666 Y CB -0.704 38.038 38.460 0.471 0.000 1.004 666 Y HN 0.214 nan 8.280 nan 0.000 0.501 667 T N 0.368 115.218 114.554 0.493 0.000 2.635 667 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 667 T C 1.633 176.321 174.700 -0.019 0.000 1.040 667 T CA 2.046 64.322 62.100 0.293 0.000 1.156 667 T CB -0.409 68.773 68.868 0.523 0.000 0.863 667 T HN 0.410 nan 8.240 nan 0.000 0.430 668 E N 0.322 120.540 120.200 0.029 0.000 2.153 668 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 668 E C 2.391 178.862 176.600 -0.216 0.000 0.988 668 E CA 0.580 56.975 56.400 -0.008 0.000 0.811 668 E CB -0.105 29.635 29.700 0.067 0.000 0.746 668 E HN 0.303 nan 8.360 nan 0.000 0.466 669 R N -0.370 119.842 120.500 -0.480 0.000 2.103 669 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 669 R C 1.277 176.949 176.300 -1.047 0.000 1.142 669 R CA 1.746 57.322 56.100 -0.874 0.000 0.960 669 R CB -0.026 29.387 30.300 -1.478 0.000 0.858 669 R HN 0.265 nan 8.270 nan 0.000 0.439 670 Y N -2.733 117.171 120.300 -0.660 0.000 2.498 670 Y HA 0.221 4.771 4.550 -0.000 0.000 0.259 670 Y C 1.681 177.320 175.900 -0.435 0.000 1.086 670 Y CA -0.032 57.640 58.100 -0.714 0.000 1.287 670 Y CB 0.413 38.310 38.460 -0.938 0.000 1.146 670 Y HN -0.047 nan 8.280 nan 0.000 0.523 671 M N -0.260 119.189 119.600 -0.251 0.000 2.337 671 M HA 0.351 4.831 4.480 -0.000 0.000 0.256 671 M C 1.073 177.387 176.300 0.023 0.000 1.075 671 M CA 0.753 55.918 55.300 -0.226 0.000 1.024 671 M CB -0.362 31.897 32.600 -0.567 0.000 1.429 671 M HN 0.359 nan 8.290 nan 0.000 0.497 672 G N 1.843 110.666 108.800 0.038 0.000 2.645 672 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 672 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 672 G C -0.707 174.329 174.900 0.227 0.000 1.322 672 G CA -0.777 44.389 45.100 0.110 0.000 0.898 672 G HN 0.251 nan 8.290 nan 0.000 0.573 673 L N 2.250 123.561 121.223 0.146 0.000 2.334 673 L HA 0.504 4.844 4.340 -0.000 0.000 0.277 673 L C -1.325 175.497 176.870 -0.080 0.000 1.075 673 L CA -1.880 52.992 54.840 0.053 0.000 0.804 673 L CB 1.171 43.235 42.059 0.008 0.000 1.174 673 L HN 0.414 nan 8.230 nan 0.000 0.438 674 P HA 0.114 nan 4.420 nan 0.000 0.218 674 P C -0.606 176.498 177.300 -0.326 0.000 1.793 674 P CA -0.194 62.398 63.100 -0.848 0.000 0.941 674 P CB -0.431 30.403 31.700 -1.444 0.000 1.919 675 T N -3.339 111.125 114.554 -0.149 0.000 2.932 675 T HA 0.482 4.832 4.350 -0.000 0.000 0.289 675 T C -2.177 172.506 174.700 -0.029 0.000 1.039 675 T CA -2.535 59.520 62.100 -0.075 0.000 1.024 675 T CB 1.738 70.576 68.868 -0.048 0.000 1.090 675 T HN -0.294 nan 8.240 nan 0.000 0.496 676 P HA -0.100 nan 4.420 nan 0.000 0.216 676 P C 1.074 178.381 177.300 0.012 0.000 1.153 676 P CA 1.216 64.318 63.100 0.003 0.000 0.858 676 P CB 0.040 31.740 31.700 0.001 0.000 0.789 677 E N -1.138 119.066 120.200 0.006 0.000 2.204 677 E HA -0.138 4.211 4.350 -0.000 0.000 0.194 677 E C 1.566 178.178 176.600 0.019 0.000 0.989 677 E CA 1.011 57.417 56.400 0.010 0.000 0.824 677 E CB -0.415 29.287 29.700 0.003 0.000 0.756 677 E HN 0.332 nan 8.360 nan 0.000 0.477 678 D N -0.443 119.972 120.400 0.024 0.000 2.736 678 D HA 0.073 4.713 4.640 -0.000 0.000 0.251 678 D C 0.274 176.619 176.300 0.075 0.000 1.348 678 D CA 0.195 54.221 54.000 0.044 0.000 1.160 678 D CB 0.009 40.835 40.800 0.042 0.000 0.928 678 D HN 0.005 nan 8.370 nan 0.000 0.228 679 N N -0.006 118.765 118.700 0.119 0.000 2.377 679 N HA 0.045 4.785 4.740 -0.000 0.000 0.259 679 N C 1.175 176.856 175.510 0.285 0.000 1.332 679 N CA -0.151 53.021 53.050 0.204 0.000 0.877 679 N CB 0.640 39.276 38.487 0.248 0.000 1.299 679 N HN -0.007 nan 8.380 nan 0.000 0.501 680 L N 1.128 122.426 121.223 0.125 0.000 2.013 680 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 680 L C 1.425 178.388 176.870 0.155 0.000 1.073 680 L CA 2.043 56.928 54.840 0.075 0.000 0.753 680 L CB -0.616 41.437 42.059 -0.011 0.000 0.890 680 L HN 0.180 nan 8.230 nan 0.000 0.432 681 D N -1.438 119.041 120.400 0.132 0.000 2.126 681 D HA -0.290 4.350 4.640 -0.000 0.000 0.190 681 D C 2.175 178.570 176.300 0.159 0.000 1.001 681 D CA 1.954 56.027 54.000 0.122 0.000 0.841 681 D CB -0.120 40.742 40.800 0.103 0.000 0.949 681 D HN 0.656 nan 8.370 nan 0.000 0.446 682 H N -1.435 117.701 119.070 0.111 0.000 2.470 682 H HA 0.010 4.566 4.556 -0.000 0.000 0.289 682 H C 1.661 177.060 175.328 0.118 0.000 1.033 682 H CA 1.023 57.119 56.048 0.079 0.000 1.331 682 H CB -0.254 29.520 29.762 0.020 0.000 1.414 682 H HN 0.226 nan 8.280 nan 0.000 0.545 683 Y N 0.634 120.898 120.300 -0.059 0.000 2.053 683 Y HA -0.276 4.274 4.550 -0.000 0.000 0.277 683 Y C 2.618 178.461 175.900 -0.095 0.000 1.159 683 Y CA 1.782 59.848 58.100 -0.056 0.000 1.125 683 Y CB -0.016 38.457 38.460 0.022 0.000 0.969 683 Y HN 0.136 nan 8.280 nan 0.000 0.492 684 R N -0.160 120.411 120.500 0.117 0.000 2.083 684 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 684 R C 1.743 178.036 176.300 -0.012 0.000 1.137 684 R CA 1.630 57.752 56.100 0.038 0.000 0.951 684 R CB -1.313 29.012 30.300 0.042 0.000 0.851 684 R HN 0.339 nan 8.270 nan 0.000 0.434 685 N N 0.892 119.578 118.700 -0.023 0.000 2.571 685 N HA -0.082 4.658 4.740 -0.000 0.000 0.189 685 N C 0.239 175.709 175.510 -0.067 0.000 1.154 685 N CA 0.683 53.724 53.050 -0.014 0.000 0.907 685 N CB 0.173 38.700 38.487 0.066 0.000 0.977 685 N HN 0.163 nan 8.380 nan 0.000 0.449 686 S N -1.973 113.629 115.700 -0.164 0.000 2.754 686 S HA 0.126 4.596 4.470 -0.000 0.000 0.247 686 S C 0.300 174.910 174.600 0.017 0.000 1.031 686 S CA -0.571 57.560 58.200 -0.114 0.000 1.014 686 S CB -0.676 62.310 63.200 -0.355 0.000 0.918 686 S HN 0.215 nan 8.310 nan 0.000 0.519 687 T N -1.029 113.509 114.554 -0.027 0.000 2.913 687 T HA 0.510 4.860 4.350 -0.000 0.000 0.287 687 T C 1.433 176.105 174.700 -0.048 0.000 1.008 687 T CA -0.514 61.562 62.100 -0.040 0.000 1.067 687 T CB 1.250 70.068 68.868 -0.083 0.000 0.996 687 T HN -0.029 nan 8.240 nan 0.000 0.513 688 V N 2.097 121.973 119.914 -0.063 0.000 2.295 688 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 688 V C 2.726 178.773 176.094 -0.078 0.000 1.049 688 V CA 1.918 64.166 62.300 -0.086 0.000 1.024 688 V CB -1.066 30.697 31.823 -0.102 0.000 0.648 688 V HN 0.846 nan 8.190 nan 0.000 0.447 689 M N 1.426 120.967 119.600 -0.097 0.000 2.103 689 M HA -0.246 4.234 4.480 -0.000 0.000 0.255 689 M C 2.351 178.612 176.300 -0.066 0.000 1.074 689 M CA 2.533 57.772 55.300 -0.101 0.000 1.090 689 M CB -1.070 31.485 32.600 -0.075 0.000 1.325 689 M HN 0.546 nan 8.290 nan 0.000 0.403 690 S N -0.885 114.790 115.700 -0.042 0.000 2.440 690 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 690 S C 1.866 176.465 174.600 -0.002 0.000 1.010 690 S CA 1.116 59.303 58.200 -0.021 0.000 0.972 690 S CB -0.508 62.682 63.200 -0.017 0.000 0.774 690 S HN 0.447 nan 8.310 nan 0.000 0.501 691 R N 0.776 121.285 120.500 0.015 0.000 2.317 691 R HA 0.452 4.792 4.340 -0.000 0.000 0.208 691 R C 2.202 178.607 176.300 0.175 0.000 0.914 691 R CA 0.509 56.651 56.100 0.070 0.000 1.060 691 R CB -0.506 29.832 30.300 0.063 0.000 1.015 691 R HN 0.468 nan 8.270 nan 0.000 0.498 692 A N 1.303 124.162 122.820 0.065 0.000 1.881 692 A HA -0.339 3.981 4.320 -0.000 0.000 0.219 692 A C 1.984 179.653 177.584 0.141 0.000 1.215 692 A CA 2.152 54.188 52.037 -0.003 0.000 0.648 692 A CB -0.590 18.344 19.000 -0.110 0.000 0.832 692 A HN 0.356 nan 8.150 nan 0.000 0.455 693 E N 0.546 120.795 120.200 0.081 0.000 2.208 693 E HA -0.238 4.112 4.350 -0.000 0.000 0.202 693 E C 1.425 178.086 176.600 0.102 0.000 1.014 693 E CA 2.112 58.557 56.400 0.076 0.000 0.819 693 E CB -0.636 29.089 29.700 0.042 0.000 0.735 693 E HN 0.772 nan 8.360 nan 0.000 0.469 694 N N -1.258 117.505 118.700 0.106 0.000 2.515 694 N HA -0.003 4.737 4.740 -0.000 0.000 0.185 694 N C 0.480 175.978 175.510 -0.021 0.000 1.109 694 N CA 0.299 53.358 53.050 0.016 0.000 0.903 694 N CB -0.069 38.374 38.487 -0.074 0.000 0.969 694 N HN 0.146 nan 8.380 nan 0.000 0.450 695 F N 1.225 121.131 119.950 -0.074 0.000 2.748 695 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 695 F C 1.739 177.543 175.800 0.006 0.000 1.154 695 F CA 0.498 58.453 58.000 -0.075 0.000 1.446 695 F CB 0.034 38.938 39.000 -0.160 0.000 1.112 695 F HN -0.037 nan 8.300 nan 0.000 0.584 696 K N -0.118 120.382 120.400 0.167 0.000 2.211 696 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 696 K C 1.594 178.250 176.600 0.093 0.000 1.047 696 K CA 0.982 57.343 56.287 0.123 0.000 0.935 696 K CB -0.198 32.355 32.500 0.088 0.000 0.728 696 K HN 0.316 nan 8.250 nan 0.000 0.452 697 Q N 0.525 120.359 119.800 0.057 0.000 2.444 697 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 697 Q C 0.791 176.823 176.000 0.053 0.000 0.948 697 Q CA 0.429 56.255 55.803 0.039 0.000 0.946 697 Q CB 0.232 28.976 28.738 0.010 0.000 1.027 697 Q HN 0.226 nan 8.270 nan 0.000 0.513 698 V N -3.090 116.872 119.914 0.080 0.000 3.130 698 V HA 0.522 4.642 4.120 -0.000 0.000 0.310 698 V C -1.136 175.087 176.094 0.214 0.000 1.158 698 V CA -1.316 61.053 62.300 0.116 0.000 1.029 698 V CB 2.369 34.219 31.823 0.046 0.000 1.057 698 V HN -0.057 nan 8.190 nan 0.000 0.436 699 E N 1.545 121.902 120.200 0.261 0.000 2.081 699 E HA 0.457 4.807 4.350 -0.000 0.000 0.276 699 E C -1.879 175.076 176.600 0.593 0.000 0.950 699 E CA -0.364 56.263 56.400 0.378 0.000 0.776 699 E CB 1.716 31.574 29.700 0.262 0.000 1.094 699 E HN 0.675 nan 8.360 nan 0.000 0.402 700 Y N 3.532 124.065 120.300 0.389 0.000 2.352 700 Y HA 0.427 4.977 4.550 -0.000 0.000 0.339 700 Y C -1.331 174.618 175.900 0.081 0.000 0.992 700 Y CA -1.190 57.077 58.100 0.278 0.000 1.100 700 Y CB 0.886 39.554 38.460 0.347 0.000 1.192 700 Y HN 0.432 nan 8.280 nan 0.000 0.458 701 L N 7.865 128.744 121.223 -0.572 0.000 2.325 701 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 701 L C -1.679 174.721 176.870 -0.783 0.000 1.004 701 L CA -0.831 53.575 54.840 -0.723 0.000 0.823 701 L CB 1.344 42.750 42.059 -1.088 0.000 1.236 701 L HN 0.653 nan 8.230 nan 0.000 0.415 702 L N 6.546 127.423 121.223 -0.577 0.000 2.319 702 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 702 L C -0.811 175.902 176.870 -0.262 0.000 1.005 702 L CA -0.433 54.110 54.840 -0.494 0.000 0.828 702 L CB 1.621 43.471 42.059 -0.348 0.000 1.227 702 L HN 0.596 nan 8.230 nan 0.000 0.415 703 I N 3.604 124.019 120.570 -0.259 0.000 2.603 703 I HA 0.521 4.691 4.170 -0.000 0.000 0.300 703 I C -0.896 175.175 176.117 -0.076 0.000 1.017 703 I CA -0.794 60.410 61.300 -0.159 0.000 1.098 703 I CB 2.018 39.894 38.000 -0.207 0.000 1.279 703 I HN 0.513 nan 8.210 nan 0.000 0.437 704 H N 2.341 121.428 119.070 0.027 0.000 3.112 704 H HA 0.391 4.947 4.556 -0.000 0.000 0.347 704 H C -0.834 174.695 175.328 0.335 0.000 1.188 704 H CA -0.768 55.353 56.048 0.121 0.000 1.240 704 H CB 2.218 31.998 29.762 0.031 0.000 1.920 704 H HN 0.733 nan 8.280 nan 0.000 0.535 705 G N 1.011 110.174 108.800 0.606 0.000 2.353 705 G HA2 0.295 4.255 3.960 -0.000 0.000 0.284 705 G HA3 0.295 4.255 3.960 -0.000 0.000 0.284 705 G C 1.033 176.095 174.900 0.270 0.000 1.172 705 G CA 0.118 45.471 45.100 0.420 0.000 0.854 705 G HN 0.655 nan 8.290 nan 0.000 0.485 706 T N -0.577 114.045 114.554 0.114 0.000 2.977 706 T HA 0.005 4.355 4.350 -0.000 0.000 0.271 706 T C 1.714 176.313 174.700 -0.168 0.000 1.105 706 T CA 1.339 63.330 62.100 -0.182 0.000 1.116 706 T CB 0.138 68.858 68.868 -0.246 0.000 0.878 706 T HN 0.673 nan 8.240 nan 0.000 0.509 707 A N 0.734 123.526 122.820 -0.046 0.000 2.545 707 A HA 0.283 4.603 4.320 -0.000 0.000 0.277 707 A C 0.518 177.989 177.584 -0.188 0.000 1.301 707 A CA -0.498 51.451 52.037 -0.147 0.000 0.935 707 A CB -0.149 19.025 19.000 0.290 0.000 1.093 707 A HN 0.364 nan 8.150 nan 0.000 0.519 708 D N 1.590 121.933 120.400 -0.094 0.000 2.368 708 D HA 0.017 4.657 4.640 -0.000 0.000 0.268 708 D C 0.408 176.680 176.300 -0.046 0.000 1.298 708 D CA 0.549 54.599 54.000 0.085 0.000 0.938 708 D CB 0.628 41.602 40.800 0.289 0.000 1.101 708 D HN 0.607 nan 8.370 nan 0.000 0.509 709 D N 2.071 122.488 120.400 0.030 0.000 2.323 709 D HA -0.119 4.520 4.640 -0.000 0.000 0.209 709 D C 1.274 177.472 176.300 -0.170 0.000 0.973 709 D CA 0.134 54.107 54.000 -0.045 0.000 0.874 709 D CB 0.277 40.928 40.800 -0.248 0.000 0.930 709 D HN 0.132 nan 8.370 nan 0.000 0.521 710 N N 0.416 119.121 118.700 0.008 0.000 2.272 710 N HA -0.025 4.715 4.740 -0.000 0.000 0.195 710 N C -0.258 175.111 175.510 -0.234 0.000 1.048 710 N CA 0.614 53.674 53.050 0.017 0.000 0.912 710 N CB 0.103 38.647 38.487 0.096 0.000 1.096 710 N HN -0.016 nan 8.380 nan 0.000 0.471 711 V N 2.980 122.865 119.914 -0.048 0.000 2.288 711 V HA 0.168 4.288 4.120 -0.000 0.000 0.266 711 V C -0.645 175.500 176.094 0.084 0.000 1.048 711 V CA -0.346 61.981 62.300 0.045 0.000 0.842 711 V CB -0.571 31.409 31.823 0.263 0.000 1.064 711 V HN 0.313 nan 8.190 nan 0.000 0.472 712 H N 3.231 122.287 119.070 -0.023 0.000 2.972 712 H HA -0.038 4.518 4.556 -0.000 0.000 0.343 712 H C 0.871 176.118 175.328 -0.135 0.000 1.054 712 H CA 0.123 56.090 56.048 -0.136 0.000 1.412 712 H CB 0.669 30.286 29.762 -0.241 0.000 1.385 712 H HN 0.621 nan 8.280 nan 0.000 0.600 713 F N 2.026 121.764 119.950 -0.352 0.000 2.192 713 F HA -0.313 4.214 4.527 -0.000 0.000 0.301 713 F C 2.594 178.237 175.800 -0.262 0.000 1.079 713 F CA 1.730 59.356 58.000 -0.622 0.000 1.303 713 F CB -0.163 38.565 39.000 -0.454 0.000 1.024 713 F HN 0.685 nan 8.300 nan 0.000 0.494 714 Q N 0.268 120.046 119.800 -0.037 0.000 2.224 714 Q HA -0.347 3.993 4.340 -0.000 0.000 0.213 714 Q C 2.003 177.853 176.000 -0.250 0.000 0.998 714 Q CA 2.478 58.179 55.803 -0.170 0.000 0.895 714 Q CB -0.357 28.206 28.738 -0.292 0.000 0.926 714 Q HN 0.644 nan 8.270 nan 0.000 0.417 715 Q N -0.572 119.140 119.800 -0.148 0.000 2.046 715 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 715 Q C 2.254 178.233 176.000 -0.036 0.000 0.975 715 Q CA 1.513 57.331 55.803 0.025 0.000 0.836 715 Q CB -0.015 28.805 28.738 0.137 0.000 0.896 715 Q HN 0.289 nan 8.270 nan 0.000 0.428 716 S N 0.569 116.207 115.700 -0.103 0.000 2.453 716 S HA -0.028 4.441 4.470 -0.000 0.000 0.231 716 S C 1.911 176.312 174.600 -0.333 0.000 1.005 716 S CA 0.706 58.786 58.200 -0.200 0.000 0.949 716 S CB -0.040 63.064 63.200 -0.160 0.000 0.774 716 S HN 0.438 nan 8.310 nan 0.000 0.510 717 A N 1.034 123.602 122.820 -0.421 0.000 1.929 717 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 717 A C 2.118 179.638 177.584 -0.107 0.000 1.176 717 A CA 0.928 52.822 52.037 -0.238 0.000 0.628 717 A CB -0.333 18.599 19.000 -0.114 0.000 0.816 717 A HN 0.329 nan 8.150 nan 0.000 0.444 718 Q N -0.367 119.385 119.800 -0.082 0.000 2.172 718 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 718 Q C 2.038 177.996 176.000 -0.070 0.000 0.964 718 Q CA 0.914 56.707 55.803 -0.018 0.000 0.855 718 Q CB -0.328 28.479 28.738 0.116 0.000 0.918 718 Q HN 0.771 nan 8.270 nan 0.000 0.444 719 I N 0.954 121.453 120.570 -0.119 0.000 2.163 719 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 719 I C 2.399 178.341 176.117 -0.292 0.000 1.081 719 I CA 1.478 62.649 61.300 -0.215 0.000 1.353 719 I CB -0.303 37.573 38.000 -0.207 0.000 1.054 719 I HN 0.173 nan 8.210 nan 0.000 0.407 720 S N 0.537 116.101 115.700 -0.227 0.000 2.368 720 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 720 S C 2.000 176.566 174.600 -0.058 0.000 1.029 720 S CA 1.157 59.249 58.200 -0.181 0.000 0.988 720 S CB -0.460 62.799 63.200 0.099 0.000 0.838 720 S HN 0.332 nan 8.310 nan 0.000 0.462 721 K N 1.773 122.149 120.400 -0.039 0.000 2.063 721 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 721 K C 2.340 178.917 176.600 -0.039 0.000 1.048 721 K CA 1.264 57.543 56.287 -0.012 0.000 0.928 721 K CB -0.652 31.843 32.500 -0.008 0.000 0.713 721 K HN 0.450 nan 8.250 nan 0.000 0.442 722 A N 1.007 123.771 122.820 -0.094 0.000 1.865 722 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 722 A C 2.092 179.601 177.584 -0.125 0.000 1.191 722 A CA 1.532 53.502 52.037 -0.111 0.000 0.623 722 A CB -0.695 18.209 19.000 -0.161 0.000 0.826 722 A HN 0.315 nan 8.150 nan 0.000 0.444 723 L N -0.627 120.467 121.223 -0.215 0.000 2.141 723 L HA -0.124 4.215 4.340 -0.000 0.000 0.209 723 L C 2.441 179.331 176.870 0.034 0.000 1.094 723 L CA 0.637 55.363 54.840 -0.190 0.000 0.763 723 L CB -0.470 41.295 42.059 -0.491 0.000 0.908 723 L HN 0.236 nan 8.230 nan 0.000 0.437 724 V N -0.387 119.578 119.914 0.085 0.000 2.307 724 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 724 V C 2.037 178.166 176.094 0.058 0.000 1.045 724 V CA 1.812 64.183 62.300 0.118 0.000 1.024 724 V CB -0.431 31.462 31.823 0.116 0.000 0.651 724 V HN 0.410 nan 8.190 nan 0.000 0.449 725 D N -0.502 119.914 120.400 0.026 0.000 2.265 725 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 725 D C 1.639 177.947 176.300 0.015 0.000 0.977 725 D CA 1.297 55.306 54.000 0.015 0.000 0.871 725 D CB 0.121 40.922 40.800 0.001 0.000 0.925 725 D HN 0.389 nan 8.370 nan 0.000 0.485 726 V N -0.856 119.066 119.914 0.014 0.000 3.380 726 V HA 0.335 4.455 4.120 -0.000 0.000 0.307 726 V C 0.754 176.871 176.094 0.039 0.000 1.434 726 V CA 0.808 63.119 62.300 0.020 0.000 1.075 726 V CB 0.122 31.950 31.823 0.008 0.000 0.954 726 V HN 0.281 nan 8.190 nan 0.000 0.444 727 G N 1.104 109.935 108.800 0.052 0.000 2.289 727 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 727 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 727 G C -0.184 174.771 174.900 0.091 0.000 1.089 727 G CA 0.340 45.480 45.100 0.067 0.000 0.939 727 G HN 0.766 nan 8.290 nan 0.000 0.499 728 V N 0.059 120.048 119.914 0.126 0.000 2.459 728 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 728 V C 0.249 176.517 176.094 0.289 0.000 1.029 728 V CA -0.658 61.747 62.300 0.174 0.000 0.874 728 V CB 1.918 33.828 31.823 0.144 0.000 0.985 728 V HN 0.442 nan 8.190 nan 0.000 0.438 729 D N 3.454 124.001 120.400 0.245 0.000 2.264 729 D HA 0.686 5.326 4.640 -0.000 0.000 0.249 729 D C -0.727 175.787 176.300 0.357 0.000 1.070 729 D CA 0.066 54.191 54.000 0.207 0.000 0.912 729 D CB 0.938 41.795 40.800 0.096 0.000 1.193 729 D HN 0.400 nan 8.370 nan 0.000 0.427 730 F N -0.367 119.653 119.950 0.117 0.000 2.773 730 F HA 0.429 4.956 4.527 0.000 0.000 0.314 730 F C -1.579 174.269 175.800 0.081 0.000 1.160 730 F CA -1.148 56.944 58.000 0.154 0.000 0.920 730 F CB 0.788 39.919 39.000 0.218 0.000 1.323 730 F HN 0.105 nan 8.300 nan 0.000 0.457 731 Q N 1.502 121.369 119.800 0.112 0.000 2.235 731 Q HA 0.819 5.159 4.340 -0.000 0.000 0.256 731 Q C -0.794 175.189 176.000 -0.029 0.000 0.951 731 Q CA -0.823 54.954 55.803 -0.043 0.000 0.890 731 Q CB 2.229 30.968 28.738 0.002 0.000 1.279 731 Q HN 1.035 nan 8.270 nan 0.000 0.444 732 A N 1.763 124.528 122.820 -0.091 0.000 2.527 732 A HA 0.842 5.162 4.320 -0.000 0.000 0.293 732 A C -1.300 176.174 177.584 -0.183 0.000 1.117 732 A CA -0.604 51.398 52.037 -0.057 0.000 0.723 732 A CB 1.987 21.035 19.000 0.081 0.000 1.313 732 A HN 0.612 nan 8.150 nan 0.000 0.411 733 M N 1.376 120.846 119.600 -0.216 0.000 2.331 733 M HA 0.455 4.935 4.480 -0.000 0.000 0.228 733 M C -1.767 174.331 176.300 -0.338 0.000 0.986 733 M CA -0.757 54.257 55.300 -0.477 0.000 0.972 733 M CB 0.621 32.807 32.600 -0.689 0.000 2.359 733 M HN 0.927 nan 8.290 nan 0.000 0.459 734 W N 4.282 125.428 121.300 -0.256 0.000 2.237 734 W HA 0.697 5.357 4.660 -0.000 0.000 0.335 734 W C -1.746 174.517 176.519 -0.426 0.000 1.230 734 W CA -0.444 56.816 57.345 -0.141 0.000 1.253 734 W CB 0.195 29.631 29.460 -0.039 0.000 1.129 734 W HN 0.623 nan 8.180 nan 0.000 0.590 735 Y N 2.905 123.309 120.300 0.173 0.000 2.555 735 Y HA 0.229 4.779 4.550 -0.000 0.000 0.326 735 Y C 0.796 176.789 175.900 0.155 0.000 0.984 735 Y CA -1.255 56.874 58.100 0.050 0.000 1.298 735 Y CB 0.944 39.411 38.460 0.012 0.000 1.094 735 Y HN 0.630 nan 8.280 nan 0.000 0.500 736 T N 1.785 116.518 114.554 0.298 0.000 2.831 736 T HA 0.055 4.405 4.350 -0.000 0.000 0.291 736 T C 0.496 175.251 174.700 0.092 0.000 0.981 736 T CA 0.654 62.850 62.100 0.161 0.000 1.174 736 T CB 0.026 68.924 68.868 0.051 0.000 0.929 736 T HN 0.799 nan 8.240 nan 0.000 0.532 737 D N 1.180 121.620 120.400 0.066 0.000 2.911 737 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 737 D C -0.091 176.338 176.300 0.215 0.000 1.041 737 D CA 1.208 55.204 54.000 -0.007 0.000 1.013 737 D CB -0.711 39.903 40.800 -0.310 0.000 1.093 737 D HN 0.727 nan 8.370 nan 0.000 0.431 738 E N 1.109 121.441 120.200 0.220 0.000 2.283 738 E HA 0.298 4.648 4.350 -0.000 0.000 0.278 738 E C 0.686 177.453 176.600 0.278 0.000 1.027 738 E CA -0.258 56.293 56.400 0.251 0.000 0.843 738 E CB 1.284 31.119 29.700 0.225 0.000 1.062 738 E HN 0.359 nan 8.360 nan 0.000 0.401 739 D N 0.388 120.971 120.400 0.306 0.000 2.399 739 D HA -0.054 4.586 4.640 -0.000 0.000 0.288 739 D C 1.118 177.657 176.300 0.398 0.000 1.197 739 D CA 0.024 54.227 54.000 0.337 0.000 1.081 739 D CB -0.130 40.896 40.800 0.375 0.000 1.139 739 D HN 0.456 nan 8.370 nan 0.000 0.554 740 H N -1.848 117.427 119.070 0.340 0.000 2.491 740 H HA 0.159 4.715 4.556 -0.000 0.000 0.290 740 H C 1.880 177.496 175.328 0.481 0.000 1.050 740 H CA 1.867 58.158 56.048 0.405 0.000 1.309 740 H CB -0.272 29.705 29.762 0.359 0.000 1.392 740 H HN 0.461 nan 8.280 nan 0.000 0.554 741 G N -0.406 108.594 108.800 0.333 0.000 2.777 741 G HA2 0.014 3.974 3.960 -0.000 0.000 0.211 741 G HA3 0.014 3.974 3.960 -0.000 0.000 0.211 741 G C 0.542 175.646 174.900 0.340 0.000 1.149 741 G CA 0.218 45.437 45.100 0.198 0.000 0.785 741 G HN 0.457 nan 8.290 nan 0.000 0.536 742 I N 0.348 121.138 120.570 0.367 0.000 3.775 742 I HA -0.328 3.842 4.170 -0.000 0.000 0.126 742 I C 1.656 177.902 176.117 0.216 0.000 1.037 742 I CA 0.224 61.679 61.300 0.258 0.000 2.738 742 I CB -0.886 37.227 38.000 0.189 0.000 1.374 742 I HN 0.216 nan 8.210 nan 0.000 0.342 743 A N 1.782 124.702 122.820 0.166 0.000 2.252 743 A HA 0.260 4.580 4.320 -0.000 0.000 0.213 743 A C 1.268 178.894 177.584 0.071 0.000 1.188 743 A CA 0.545 52.640 52.037 0.097 0.000 0.863 743 A CB 0.128 19.165 19.000 0.062 0.000 0.893 743 A HN 0.675 nan 8.150 nan 0.000 0.495 744 S N -0.218 115.542 115.700 0.099 0.000 2.559 744 S HA 0.070 4.540 4.470 -0.000 0.000 0.282 744 S C 1.184 175.835 174.600 0.085 0.000 1.336 744 S CA 0.430 58.681 58.200 0.086 0.000 1.037 744 S CB 0.805 64.062 63.200 0.095 0.000 0.853 744 S HN 0.405 nan 8.310 nan 0.000 0.523 745 S N 2.009 117.746 115.700 0.063 0.000 2.368 745 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 745 S C 2.048 176.702 174.600 0.089 0.000 1.044 745 S CA 2.333 60.572 58.200 0.064 0.000 1.062 745 S CB -1.360 61.863 63.200 0.038 0.000 0.931 745 S HN 1.039 nan 8.310 nan 0.000 0.440 746 T N -0.691 113.906 114.554 0.072 0.000 2.978 746 T HA 0.359 4.709 4.350 -0.000 0.000 0.262 746 T C 1.928 176.673 174.700 0.076 0.000 1.063 746 T CA 0.918 63.061 62.100 0.070 0.000 1.140 746 T CB -0.556 68.349 68.868 0.062 0.000 0.886 746 T HN 0.392 nan 8.240 nan 0.000 0.470 747 A N 1.625 124.469 122.820 0.040 0.000 1.897 747 A HA -0.043 4.276 4.320 -0.000 0.000 0.215 747 A C 2.169 179.674 177.584 -0.131 0.000 1.181 747 A CA 1.813 53.795 52.037 -0.093 0.000 0.620 747 A CB -1.196 17.718 19.000 -0.144 0.000 0.821 747 A HN 0.698 nan 8.150 nan 0.000 0.443 748 H N -0.021 119.011 119.070 -0.063 0.000 2.353 748 H HA -0.171 4.385 4.556 -0.000 0.000 0.298 748 H C 2.059 177.428 175.328 0.069 0.000 1.103 748 H CA 2.445 58.512 56.048 0.033 0.000 1.293 748 H CB -0.161 29.634 29.762 0.056 0.000 1.372 748 H HN 0.586 nan 8.280 nan 0.000 0.501 749 Q N -1.140 118.618 119.800 -0.070 0.000 2.083 749 Q HA -0.151 4.189 4.340 -0.000 0.000 0.198 749 Q C 2.231 178.198 176.000 -0.055 0.000 0.969 749 Q CA 1.079 56.807 55.803 -0.124 0.000 0.838 749 Q CB -0.179 28.530 28.738 -0.048 0.000 0.900 749 Q HN 0.630 nan 8.270 nan 0.000 0.436 750 H N 1.007 120.041 119.070 -0.059 0.000 2.319 750 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 750 H C 2.124 177.470 175.328 0.030 0.000 1.092 750 H CA 1.735 57.799 56.048 0.027 0.000 1.302 750 H CB -0.094 29.744 29.762 0.128 0.000 1.373 750 H HN 0.307 nan 8.280 nan 0.000 0.497 751 I N 0.009 120.584 120.570 0.009 0.000 2.142 751 I HA -0.335 3.835 4.170 -0.000 0.000 0.240 751 I C 2.015 177.962 176.117 -0.284 0.000 1.078 751 I CA 1.445 62.678 61.300 -0.112 0.000 1.343 751 I CB -0.431 37.306 38.000 -0.438 0.000 1.046 751 I HN 0.097 nan 8.210 nan 0.000 0.405 752 Y N 1.437 121.530 120.300 -0.344 0.000 2.207 752 Y HA -0.250 4.300 4.550 -0.000 0.000 0.287 752 Y C 2.760 178.428 175.900 -0.387 0.000 1.156 752 Y CA 2.151 59.921 58.100 -0.551 0.000 1.182 752 Y CB -1.141 36.963 38.460 -0.594 0.000 0.979 752 Y HN 0.230 nan 8.280 nan 0.000 0.521 753 T N -1.662 112.815 114.554 -0.128 0.000 2.684 753 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 753 T C 1.589 176.234 174.700 -0.091 0.000 1.036 753 T CA 1.988 64.003 62.100 -0.141 0.000 1.148 753 T CB -0.584 68.202 68.868 -0.137 0.000 0.863 753 T HN 0.451 nan 8.240 nan 0.000 0.436 754 H N 0.576 119.567 119.070 -0.133 0.000 2.353 754 H HA 0.068 4.624 4.556 -0.000 0.000 0.300 754 H C 2.210 177.534 175.328 -0.006 0.000 1.090 754 H CA 1.600 57.624 56.048 -0.041 0.000 1.327 754 H CB -0.191 29.542 29.762 -0.048 0.000 1.383 754 H HN 0.269 nan 8.280 nan 0.000 0.508 755 M N -0.937 118.641 119.600 -0.036 0.000 2.175 755 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 755 M C 2.436 178.846 176.300 0.183 0.000 1.063 755 M CA 1.359 56.629 55.300 -0.051 0.000 1.119 755 M CB 0.128 32.457 32.600 -0.451 0.000 1.377 755 M HN 0.180 nan 8.290 nan 0.000 0.415 756 S N -0.502 115.320 115.700 0.204 0.000 2.370 756 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 756 S C 1.741 176.425 174.600 0.140 0.000 1.033 756 S CA 1.133 59.539 58.200 0.342 0.000 1.011 756 S CB -0.656 62.730 63.200 0.309 0.000 0.852 756 S HN 0.462 nan 8.310 nan 0.000 0.457 757 H N -0.196 118.931 119.070 0.095 0.000 2.353 757 H HA -0.033 4.523 4.556 -0.000 0.000 0.300 757 H C 1.984 177.332 175.328 0.033 0.000 1.090 757 H CA 1.408 57.464 56.048 0.013 0.000 1.327 757 H CB -0.678 29.014 29.762 -0.117 0.000 1.383 757 H HN 0.505 nan 8.280 nan 0.000 0.508 758 F N 1.096 121.054 119.950 0.014 0.000 2.146 758 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 758 F C 2.255 178.036 175.800 -0.032 0.000 1.096 758 F CA 0.780 58.769 58.000 -0.018 0.000 1.275 758 F CB -0.260 38.725 39.000 -0.024 0.000 1.008 758 F HN -0.063 nan 8.300 nan 0.000 0.480 759 I N 0.984 121.591 120.570 0.063 0.000 2.142 759 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 759 I C 2.306 178.320 176.117 -0.171 0.000 1.078 759 I CA 1.612 62.814 61.300 -0.164 0.000 1.343 759 I CB -1.337 36.681 38.000 0.030 0.000 1.046 759 I HN 0.206 nan 8.210 nan 0.000 0.405 760 K N 0.136 120.550 120.400 0.023 0.000 2.113 760 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 760 K C 2.146 178.771 176.600 0.040 0.000 1.047 760 K CA 1.397 57.734 56.287 0.083 0.000 0.928 760 K CB -0.177 32.394 32.500 0.118 0.000 0.716 760 K HN 0.335 nan 8.250 nan 0.000 0.446 761 Q N 1.045 120.821 119.800 -0.039 0.000 2.083 761 Q HA -0.160 4.180 4.340 -0.000 0.000 0.198 761 Q C 2.213 178.129 176.000 -0.141 0.000 0.969 761 Q CA 1.614 57.375 55.803 -0.070 0.000 0.838 761 Q CB -0.769 27.924 28.738 -0.074 0.000 0.900 761 Q HN 0.406 nan 8.270 nan 0.000 0.436 762 c N 0.252 118.648 118.600 -0.340 0.000 2.403 762 c HA -0.102 4.468 4.570 -0.000 0.000 0.282 762 c C 2.078 176.124 174.090 -0.074 0.000 1.297 762 c CA 0.743 56.850 56.329 -0.371 0.000 1.785 762 c CB -1.281 40.800 42.510 -0.715 0.000 1.963 762 c HN 0.541 nan 8.230 nan 0.000 0.507 763 F N 0.419 120.329 119.950 -0.067 0.000 2.727 763 F HA 0.337 4.864 4.527 -0.000 0.000 0.302 763 F C 1.630 177.420 175.800 -0.018 0.000 1.107 763 F CA -0.102 57.882 58.000 -0.027 0.000 1.277 763 F CB -0.674 38.320 39.000 -0.011 0.000 1.079 763 F HN 0.065 nan 8.300 nan 0.000 0.594 764 S N 0.000 115.797 115.700 0.162 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.253 58.200 0.088 0.000 1.107 764 S CB 0.000 63.241 63.200 0.068 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517