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 3ikm_1_D DATA FIRST_RESID 70 DATA SEQUENCE RHNPLDIQML SRGLHEQIFG QGGEMPGEAA VRRSVEHLQK HGLWGQPAVP DATA SEQUENCE LPDVELRLPP LYGDNLDQHF RLLAQKQSLP YLEAANLLLQ AQLPPKPPAW DATA SEQUENCE AWAEGWTRYG PEGEAVPVAI PEERALVFDV EVCLAEGTCP TLAVAISPSA DATA SEQUENCE WYSWCSQRLV EERYSWTSQL SPADLIPLEV PTGASSPTQR DWQEQLVVGH DATA SEQUENCE NVSFDRAHIR EQYLIQGSRM RFLDTMSMHM AISGLSSFQR SLWIAAKQGX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXWDWLD ISSVNSLAEV HRLYVGGPPL DATA SEQUENCE EKEPRELFVK GTMKDIRENF QDLMQYCAQD VWATHEVFQQ QLPLFLERCP DATA SEQUENCE HPVTLAGMLE MGVSYLPVNQ NWERYLAEAQ GTYEELQREM KKSLMDLAND DATA SEQUENCE ACQLLSGERY KEDPWLWDLE WDLQEFKQKK AKKVKKEPAT ASKLPIEGAG DATA SEQUENCE APGDPMDQED LGPCSEEEEF QQDVMARACL QKLKGTTELL PKRPQHLPGH DATA SEQUENCE PGWYRKLCPR LDDPAWTPGP SLLSLQMRVT PKLMALTWDG FPLHYSERHG DATA SEQUENCE WGYLVPGRRD NLAKLPTGTT LESAGVVCPY RAIESLYRKH CLEQGKQQLM DATA SEQUENCE PQEAXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXR AAVPGQPLAL DATA SEQUENCE TARGGPKDTQ PSYHHGNGPY NDVDIPGCWF FKLPHKDGNS CNVGSPFAKD DATA SEQUENCE FLPKMEDGTL QAGPGGASGP RALEINKMIS FWRNAHKRIS SQMVVWLPRS DATA SEQUENCE ALPRAVIRHP DYDEEGLYGA ILPQVVTAGT ITRRAVEPTW LTASNARPDR DATA SEQUENCE VGSELKAMVQ APPGYTLVGA DVDSQELWIA AVLGDAHFAG MHGCTAFGWM DATA SEQUENCE TLQGRKSRGT DLHSKTATTV GISREHAKIF NYGRIYGAGQ PFAERLLMQF DATA SEQUENCE NHRLTQQEAA EKAQQMYAAT KGLRWYRLSD EGEWLVRELN LPVDRTEGGW DATA SEQUENCE ISLQDLRKVQ RETARKSQWK KWEVVAERAW KGGTESEMFN KLESIATSDI DATA SEQUENCE PRTPVXXXXX XXXXXXXXXX EEFMTSRVNW VVQSSAVDYL HLMLVAMKWL DATA SEQUENCE FEEFAIDGRF CISIHDEVRY LVREEDRYRA ALALQITNLL TRCMFAYKLG DATA SEQUENCE LNDLPQSVAF FSAVDIDRCL RKEVTMDCKT PSNPTGMERR YGIPQGEALD DATA SEQUENCE IYQIIELTKG SLEKRSQPGP 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 70 R HA 0.000 nan 4.340 nan 0.000 0.208 70 R C 0.000 176.385 176.300 0.142 0.000 0.893 70 R CA 0.000 56.148 56.100 0.079 0.000 0.921 70 R CB 0.000 30.331 30.300 0.052 0.000 0.687 71 H N 2.859 121.962 119.070 0.055 0.000 3.064 71 H HA 0.177 4.733 4.556 -0.000 0.000 0.329 71 H C -0.495 174.869 175.328 0.061 0.000 1.020 71 H CA 0.720 56.811 56.048 0.072 0.000 1.402 71 H CB 0.424 30.264 29.762 0.130 0.000 1.379 71 H HN 0.213 nan 8.280 nan 0.000 0.594 72 N N 4.825 123.597 118.700 0.119 0.000 2.859 72 N HA 0.319 5.059 4.740 -0.000 0.000 0.250 72 N C -3.064 172.426 175.510 -0.034 0.000 1.341 72 N CA -0.986 52.049 53.050 -0.025 0.000 0.881 72 N CB 2.773 41.283 38.487 0.040 0.000 1.516 72 N HN 0.468 nan 8.380 nan 0.000 0.503 73 P HA 0.489 nan 4.420 nan 0.000 0.335 73 P C -1.878 175.425 177.300 0.004 0.000 1.202 73 P CA -0.578 62.517 63.100 -0.007 0.000 1.452 73 P CB 2.392 34.067 31.700 -0.042 0.000 2.466 74 L N 1.537 122.764 121.223 0.007 0.000 2.511 74 L HA 0.236 4.576 4.340 -0.000 0.000 0.252 74 L C 0.313 177.161 176.870 -0.037 0.000 1.542 74 L CA 0.210 55.041 54.840 -0.014 0.000 0.822 74 L CB 0.357 42.402 42.059 -0.024 0.000 1.050 74 L HN 0.497 nan 8.230 nan 0.000 0.516 75 D N 1.095 121.484 120.400 -0.019 0.000 2.379 75 D HA 0.217 4.857 4.640 -0.000 0.000 0.208 75 D C 0.339 176.577 176.300 -0.104 0.000 1.065 75 D CA 0.368 54.343 54.000 -0.040 0.000 0.848 75 D CB 1.246 42.057 40.800 0.019 0.000 0.949 75 D HN 0.425 nan 8.370 nan 0.000 0.509 76 I N -0.229 120.331 120.570 -0.017 0.000 3.102 76 I HA 0.146 4.316 4.170 -0.000 0.000 0.310 76 I C 0.096 176.243 176.117 0.050 0.000 1.246 76 I CA -0.712 60.707 61.300 0.199 0.000 0.979 76 I CB 1.667 39.947 38.000 0.467 0.000 1.267 76 I HN -0.320 nan 8.210 nan 0.000 0.451 77 Q N 4.774 124.595 119.800 0.035 0.000 2.435 77 Q HA 0.347 4.687 4.340 -0.000 0.000 0.207 77 Q C -0.052 175.954 176.000 0.010 0.000 0.956 77 Q CA 1.054 56.842 55.803 -0.024 0.000 0.917 77 Q CB 0.318 29.004 28.738 -0.087 0.000 0.997 77 Q HN 0.603 nan 8.270 nan 0.000 0.497 78 M N -0.417 119.206 119.600 0.037 0.000 2.781 78 M HA 0.275 4.755 4.480 -0.000 0.000 0.242 78 M C -2.306 174.021 176.300 0.045 0.000 0.828 78 M CA -0.331 54.991 55.300 0.037 0.000 0.850 78 M CB 1.288 33.912 32.600 0.041 0.000 1.708 78 M HN 0.166 nan 8.290 nan 0.000 0.597 79 L N 1.308 122.549 121.223 0.031 0.000 2.789 79 L HA 0.612 4.952 4.340 -0.000 0.000 0.254 79 L C -1.105 175.756 176.870 -0.016 0.000 0.952 79 L CA -0.148 54.706 54.840 0.024 0.000 0.942 79 L CB 2.402 44.482 42.059 0.036 0.000 1.502 79 L HN 0.791 nan 8.230 nan 0.000 0.425 80 S N -0.336 115.339 115.700 -0.041 0.000 2.732 80 S HA 0.522 4.992 4.470 -0.000 0.000 0.293 80 S C 0.462 174.899 174.600 -0.272 0.000 1.159 80 S CA -0.403 57.731 58.200 -0.109 0.000 0.847 80 S CB 1.921 65.100 63.200 -0.034 0.000 1.169 80 S HN 0.752 nan 8.310 nan 0.000 0.501 81 R N 0.894 121.163 120.500 -0.386 0.000 2.462 81 R HA -0.301 4.039 4.340 -0.000 0.000 0.238 81 R C 1.688 177.731 176.300 -0.427 0.000 0.980 81 R CA 2.782 58.539 56.100 -0.571 0.000 0.889 81 R CB -1.755 28.455 30.300 -0.149 0.000 0.911 81 R HN 0.746 nan 8.270 nan 0.000 0.448 82 G N 1.184 109.867 108.800 -0.195 0.000 2.503 82 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 82 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 82 G C 1.252 176.090 174.900 -0.104 0.000 1.131 82 G CA 1.343 46.383 45.100 -0.101 0.000 0.756 82 G HN 0.222 nan 8.290 nan 0.000 0.572 83 L N 0.845 121.987 121.223 -0.134 0.000 1.955 83 L HA -0.119 4.221 4.340 -0.000 0.000 0.213 83 L C 2.517 179.418 176.870 0.053 0.000 1.072 83 L CA 1.953 56.779 54.840 -0.024 0.000 0.755 83 L CB -2.192 39.915 42.059 0.080 0.000 0.888 83 L HN 0.265 nan 8.230 nan 0.000 0.432 84 H N 1.249 120.339 119.070 0.034 0.000 2.294 84 H HA -0.270 4.286 4.556 -0.000 0.000 0.282 84 H C 2.201 177.531 175.328 0.002 0.000 1.128 84 H CA 2.040 58.126 56.048 0.062 0.000 1.161 84 H CB -0.951 28.864 29.762 0.089 0.000 1.354 84 H HN 0.619 nan 8.280 nan 0.000 0.474 85 E N -0.006 120.261 120.200 0.111 0.000 2.058 85 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 85 E C 1.954 178.532 176.600 -0.036 0.000 0.997 85 E CA 1.640 58.061 56.400 0.034 0.000 0.801 85 E CB -0.233 29.468 29.700 0.002 0.000 0.746 85 E HN 0.500 nan 8.360 nan 0.000 0.450 86 Q N -0.400 119.344 119.800 -0.094 0.000 2.322 86 Q HA 0.278 4.618 4.340 -0.000 0.000 0.250 86 Q C 0.663 176.497 176.000 -0.277 0.000 0.853 86 Q CA 0.048 55.756 55.803 -0.159 0.000 0.951 86 Q CB 0.861 29.513 28.738 -0.143 0.000 1.114 86 Q HN 0.212 nan 8.270 nan 0.000 0.523 87 I N -2.010 118.379 120.570 -0.302 0.000 3.631 87 I HA 0.428 4.598 4.170 -0.000 0.000 0.294 87 I C -0.906 174.879 176.117 -0.553 0.000 1.154 87 I CA -1.278 59.701 61.300 -0.534 0.000 1.092 87 I CB 1.205 39.130 38.000 -0.125 0.000 1.367 87 I HN -0.203 nan 8.210 nan 0.000 0.470 88 F N -0.708 119.334 119.950 0.154 0.000 2.577 88 F HA 0.575 5.102 4.527 -0.000 0.000 0.318 88 F C 1.095 176.966 175.800 0.117 0.000 1.065 88 F CA -0.736 57.354 58.000 0.149 0.000 0.929 88 F CB 1.843 40.887 39.000 0.073 0.000 1.237 88 F HN 0.521 nan 8.300 nan 0.000 0.468 89 G N -0.177 108.804 108.800 0.302 0.000 2.492 89 G HA2 0.012 3.972 3.960 -0.000 0.000 0.214 89 G HA3 0.012 3.972 3.960 -0.000 0.000 0.214 89 G C 0.516 175.472 174.900 0.094 0.000 1.147 89 G CA 0.311 45.494 45.100 0.140 0.000 0.809 89 G HN 0.672 nan 8.290 nan 0.000 0.533 90 Q N -0.168 119.692 119.800 0.099 0.000 2.093 90 Q HA 0.275 4.615 4.340 -0.000 0.000 0.217 90 Q C 1.963 177.994 176.000 0.053 0.000 0.785 90 Q CA 0.172 56.008 55.803 0.056 0.000 1.038 90 Q CB 1.033 29.784 28.738 0.021 0.000 1.190 90 Q HN 0.249 nan 8.270 nan 0.000 0.468 91 G N 1.892 110.760 108.800 0.114 0.000 2.459 91 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 91 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 91 G C 0.921 175.825 174.900 0.006 0.000 1.183 91 G CA 0.427 45.562 45.100 0.058 0.000 0.776 91 G HN 0.425 nan 8.290 nan 0.000 0.552 92 G N 1.368 110.185 108.800 0.029 0.000 2.134 92 G HA2 0.241 4.201 3.960 -0.000 0.000 0.246 92 G HA3 0.241 4.201 3.960 -0.000 0.000 0.246 92 G C 0.173 175.046 174.900 -0.046 0.000 1.024 92 G CA 0.254 45.327 45.100 -0.044 0.000 0.895 92 G HN 0.700 nan 8.290 nan 0.000 0.420 93 E N 2.294 122.460 120.200 -0.057 0.000 2.289 93 E HA 0.459 4.809 4.350 -0.000 0.000 0.278 93 E C 0.486 177.062 176.600 -0.041 0.000 1.032 93 E CA -0.449 55.920 56.400 -0.052 0.000 0.854 93 E CB 0.998 30.665 29.700 -0.056 0.000 1.046 93 E HN 0.627 nan 8.360 nan 0.000 0.409 94 M N 1.130 120.713 119.600 -0.028 0.000 2.484 94 M HA 0.581 5.061 4.480 -0.000 0.000 0.289 94 M C -2.837 173.457 176.300 -0.010 0.000 1.206 94 M CA -2.045 53.245 55.300 -0.017 0.000 0.892 94 M CB 1.967 34.565 32.600 -0.003 0.000 1.712 94 M HN 0.323 nan 8.290 nan 0.000 0.462 95 P HA 0.427 nan 4.420 nan 0.000 0.276 95 P C 0.003 177.309 177.300 0.009 0.000 1.261 95 P CA -0.196 62.904 63.100 -0.000 0.000 0.800 95 P CB 0.772 32.471 31.700 -0.000 0.000 1.066 96 G N 0.318 109.125 108.800 0.011 0.000 3.107 96 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.155 96 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.155 96 G C 0.927 175.842 174.900 0.025 0.000 1.875 96 G CA 0.014 45.124 45.100 0.016 0.000 1.004 96 G HN 0.643 nan 8.290 nan 0.000 0.480 97 E N 0.575 120.790 120.200 0.025 0.000 2.054 97 E HA -0.327 4.023 4.350 -0.000 0.000 0.225 97 E C 2.788 179.412 176.600 0.040 0.000 1.048 97 E CA 1.379 57.798 56.400 0.032 0.000 0.899 97 E CB -0.973 28.742 29.700 0.026 0.000 0.801 97 E HN 0.359 nan 8.360 nan 0.000 0.495 98 A N 2.093 124.934 122.820 0.035 0.000 1.873 98 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 98 A C 2.558 180.175 177.584 0.055 0.000 1.269 98 A CA 3.417 55.480 52.037 0.043 0.000 0.671 98 A CB -1.350 17.671 19.000 0.034 0.000 0.842 98 A HN 0.438 nan 8.150 nan 0.000 0.460 99 A N -1.294 121.552 122.820 0.044 0.000 1.841 99 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 99 A C 2.261 179.881 177.584 0.060 0.000 1.199 99 A CA 2.226 54.291 52.037 0.047 0.000 0.621 99 A CB -1.355 17.661 19.000 0.027 0.000 0.835 99 A HN 0.668 nan 8.150 nan 0.000 0.445 100 V N 0.532 120.476 119.914 0.051 0.000 2.250 100 V HA -0.386 3.734 4.120 -0.000 0.000 0.253 100 V C 2.783 178.927 176.094 0.083 0.000 1.065 100 V CA 2.571 64.905 62.300 0.058 0.000 1.039 100 V CB -0.887 30.966 31.823 0.051 0.000 0.647 100 V HN 0.530 nan 8.190 nan 0.000 0.446 101 R N -0.306 120.245 120.500 0.084 0.000 2.097 101 R HA -0.184 4.155 4.340 -0.000 0.000 0.236 101 R C 2.411 178.799 176.300 0.145 0.000 1.135 101 R CA 1.998 58.160 56.100 0.102 0.000 0.934 101 R CB -0.664 29.684 30.300 0.079 0.000 0.846 101 R HN 0.587 nan 8.270 nan 0.000 0.431 102 R N 0.879 121.471 120.500 0.153 0.000 2.132 102 R HA -0.183 4.157 4.340 -0.000 0.000 0.233 102 R C 2.570 179.065 176.300 0.324 0.000 1.125 102 R CA 2.097 58.344 56.100 0.244 0.000 0.914 102 R CB -1.153 29.243 30.300 0.160 0.000 0.845 102 R HN 0.378 nan 8.270 nan 0.000 0.431 103 S N 1.195 117.009 115.700 0.189 0.000 2.414 103 S HA -0.242 4.228 4.470 -0.000 0.000 0.238 103 S C 2.228 176.953 174.600 0.208 0.000 1.055 103 S CA 2.073 60.373 58.200 0.167 0.000 1.174 103 S CB -1.157 62.099 63.200 0.093 0.000 1.087 103 S HN 0.203 nan 8.310 nan 0.000 0.428 104 V N 2.814 122.828 119.914 0.166 0.000 2.278 104 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 104 V C 2.825 179.056 176.094 0.227 0.000 1.062 104 V CA 2.646 65.059 62.300 0.187 0.000 1.038 104 V CB -1.015 30.928 31.823 0.200 0.000 0.646 104 V HN 0.657 nan 8.190 nan 0.000 0.447 105 E N -1.375 118.939 120.200 0.191 0.000 2.085 105 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 105 E C 2.145 178.762 176.600 0.028 0.000 0.994 105 E CA 1.577 58.029 56.400 0.088 0.000 0.801 105 E CB -0.283 29.427 29.700 0.017 0.000 0.743 105 E HN 0.721 nan 8.360 nan 0.000 0.453 106 H N 0.508 119.653 119.070 0.125 0.000 2.357 106 H HA -0.050 4.506 4.556 -0.000 0.000 0.301 106 H C 2.357 177.836 175.328 0.252 0.000 1.082 106 H CA 0.966 57.116 56.048 0.170 0.000 1.342 106 H CB -0.020 29.895 29.762 0.255 0.000 1.389 106 H HN 0.155 nan 8.280 nan 0.000 0.511 107 L N 0.764 122.195 121.223 0.347 0.000 2.083 107 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 107 L C 2.435 179.458 176.870 0.254 0.000 1.083 107 L CA 1.284 56.295 54.840 0.285 0.000 0.752 107 L CB -0.599 41.546 42.059 0.143 0.000 0.899 107 L HN 0.360 nan 8.230 nan 0.000 0.433 108 Q N -0.160 119.778 119.800 0.229 0.000 2.119 108 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 108 Q C 2.174 178.206 176.000 0.055 0.000 0.972 108 Q CA 0.872 56.786 55.803 0.186 0.000 0.847 108 Q CB -0.009 28.825 28.738 0.161 0.000 0.903 108 Q HN 0.387 nan 8.270 nan 0.000 0.433 109 K N 0.301 120.669 120.400 -0.054 0.000 2.147 109 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 109 K C 1.307 177.701 176.600 -0.343 0.000 1.049 109 K CA 1.093 57.226 56.287 -0.257 0.000 0.936 109 K CB -0.060 32.163 32.500 -0.463 0.000 0.722 109 K HN 0.423 nan 8.250 nan 0.000 0.446 110 H N -0.346 118.775 119.070 0.085 0.000 2.520 110 H HA 0.148 4.704 4.556 -0.000 0.000 0.284 110 H C 0.538 175.936 175.328 0.116 0.000 1.037 110 H CA 0.393 56.493 56.048 0.086 0.000 1.168 110 H CB 0.231 30.053 29.762 0.099 0.000 1.497 110 H HN 0.300 nan 8.280 nan 0.000 0.547 111 G N 1.905 110.810 108.800 0.174 0.000 2.393 111 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.299 111 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.299 111 G C 0.613 175.641 174.900 0.215 0.000 0.990 111 G CA 0.345 45.549 45.100 0.175 0.000 1.118 111 G HN 0.300 nan 8.290 nan 0.000 0.513 112 L N -1.993 119.377 121.223 0.244 0.000 2.515 112 L HA 0.377 4.717 4.340 -0.000 0.000 0.223 112 L C 1.794 178.803 176.870 0.233 0.000 1.079 112 L CA -0.034 54.934 54.840 0.213 0.000 0.857 112 L CB -0.176 41.993 42.059 0.185 0.000 1.050 112 L HN 0.533 nan 8.230 nan 0.000 0.476 113 W N -0.202 121.142 121.300 0.073 0.000 2.034 113 W HA 0.368 5.028 4.660 -0.000 0.000 0.357 113 W C 1.432 177.970 176.519 0.031 0.000 1.326 113 W CA 0.749 58.120 57.345 0.043 0.000 1.318 113 W CB 0.684 30.166 29.460 0.036 0.000 1.193 113 W HN 0.204 nan 8.180 nan 0.000 0.620 114 G N 0.848 110.115 108.800 0.777 0.000 2.601 114 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.233 114 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.233 114 G C -0.462 174.655 174.900 0.362 0.000 1.896 114 G CA 0.022 45.258 45.100 0.227 0.000 1.514 114 G HN 0.682 nan 8.290 nan 0.000 0.512 115 Q N 1.558 121.526 119.800 0.280 0.000 2.506 115 Q HA 0.772 5.112 4.340 -0.000 0.000 0.242 115 Q C -2.354 173.749 176.000 0.171 0.000 1.060 115 Q CA -1.322 54.609 55.803 0.215 0.000 0.826 115 Q CB 2.271 31.079 28.738 0.117 0.000 1.169 115 Q HN 0.375 nan 8.270 nan 0.000 0.521 116 P HA 0.266 nan 4.420 nan 0.000 0.356 116 P C -0.639 176.640 177.300 -0.035 0.000 1.257 116 P CA -0.096 62.980 63.100 -0.040 0.000 1.231 116 P CB 0.905 32.440 31.700 -0.274 0.000 1.583 117 A N 1.457 124.348 122.820 0.119 0.000 2.655 117 A HA 0.399 4.719 4.320 -0.000 0.000 0.297 117 A C 0.364 177.981 177.584 0.055 0.000 1.461 117 A CA -0.066 52.040 52.037 0.115 0.000 1.146 117 A CB -0.899 18.218 19.000 0.195 0.000 1.108 117 A HN 0.119 nan 8.150 nan 0.000 0.550 118 V N 2.873 122.794 119.914 0.012 0.000 2.532 118 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 118 V C -1.309 174.791 176.094 0.010 0.000 1.041 118 V CA -1.273 61.031 62.300 0.007 0.000 0.926 118 V CB 1.598 33.413 31.823 -0.013 0.000 0.992 118 V HN 0.653 nan 8.190 nan 0.000 0.457 119 P HA 0.111 nan 4.420 nan 0.000 0.221 119 P C 1.690 178.997 177.300 0.013 0.000 1.152 119 P CA 0.352 63.461 63.100 0.014 0.000 0.851 119 P CB 0.257 31.966 31.700 0.015 0.000 0.833 120 L N 1.052 122.282 121.223 0.012 0.000 2.085 120 L HA -0.089 4.251 4.340 -0.000 0.000 0.218 120 L C -1.009 175.874 176.870 0.021 0.000 1.080 120 L CA 1.601 56.450 54.840 0.015 0.000 0.776 120 L CB -3.540 38.529 42.059 0.016 0.000 0.891 120 L HN 0.193 nan 8.230 nan 0.000 0.437 121 P HA 0.069 nan 4.420 nan 0.000 0.260 121 P C -1.026 176.296 177.300 0.035 0.000 1.185 121 P CA 0.658 63.777 63.100 0.032 0.000 0.763 121 P CB 0.420 32.135 31.700 0.025 0.000 0.776 122 D N 2.074 122.503 120.400 0.049 0.000 2.890 122 D HA 0.486 5.126 4.640 -0.000 0.000 0.233 122 D C -0.894 175.457 176.300 0.085 0.000 1.306 122 D CA -0.383 53.647 54.000 0.050 0.000 0.929 122 D CB 1.975 42.793 40.800 0.030 0.000 1.512 122 D HN 0.136 nan 8.370 nan 0.000 0.568 123 V N 1.110 121.069 119.914 0.074 0.000 3.225 123 V HA 0.538 4.658 4.120 -0.000 0.000 0.293 123 V C -1.728 174.401 176.094 0.060 0.000 1.405 123 V CA -0.539 61.812 62.300 0.085 0.000 1.038 123 V CB 2.577 34.436 31.823 0.060 0.000 1.123 123 V HN 0.519 nan 8.190 nan 0.000 0.447 124 E N 3.951 124.185 120.200 0.058 0.000 2.460 124 E HA 0.427 4.777 4.350 -0.000 0.000 0.249 124 E C -1.377 175.239 176.600 0.027 0.000 0.962 124 E CA -0.502 55.921 56.400 0.038 0.000 0.787 124 E CB 1.234 30.952 29.700 0.030 0.000 1.341 124 E HN 0.615 nan 8.360 nan 0.000 0.407 125 L N 4.248 125.486 121.223 0.025 0.000 2.360 125 L HA 0.376 4.716 4.340 -0.000 0.000 0.276 125 L C -0.009 176.866 176.870 0.008 0.000 1.121 125 L CA 0.534 55.387 54.840 0.022 0.000 0.845 125 L CB 0.350 42.416 42.059 0.012 0.000 1.143 125 L HN 0.607 nan 8.230 nan 0.000 0.452 126 R N 5.507 126.012 120.500 0.010 0.000 3.009 126 R HA 0.529 4.869 4.340 -0.000 0.000 0.278 126 R C -1.586 174.714 176.300 -0.001 0.000 1.515 126 R CA -0.520 55.582 56.100 0.004 0.000 1.055 126 R CB 1.627 31.930 30.300 0.006 0.000 1.345 126 R HN 0.511 nan 8.270 nan 0.000 0.421 127 L N 3.029 124.247 121.223 -0.008 0.000 2.591 127 L HA 0.445 4.785 4.340 -0.000 0.000 0.257 127 L C -2.502 174.345 176.870 -0.039 0.000 0.935 127 L CA -1.487 53.340 54.840 -0.021 0.000 0.873 127 L CB 3.936 45.985 42.059 -0.017 0.000 1.397 127 L HN 0.266 nan 8.230 nan 0.000 0.414 128 P HA 0.332 nan 4.420 nan 0.000 0.289 128 P C -2.257 174.969 177.300 -0.124 0.000 1.599 128 P CA -0.731 62.329 63.100 -0.065 0.000 1.239 128 P CB 0.351 32.034 31.700 -0.028 0.000 1.581 129 P HA -0.044 nan 4.420 nan 0.000 0.225 129 P C 0.332 177.182 177.300 -0.749 0.000 1.156 129 P CA 0.308 63.251 63.100 -0.262 0.000 0.787 129 P CB -0.409 31.186 31.700 -0.175 0.000 0.802 130 L N -2.785 118.111 121.223 -0.545 0.000 2.749 130 L HA -0.155 4.185 4.340 -0.000 0.000 0.313 130 L C 0.628 177.092 176.870 -0.676 0.000 1.251 130 L CA 1.171 55.692 54.840 -0.531 0.000 0.867 130 L CB -0.995 40.943 42.059 -0.203 0.000 1.122 130 L HN 0.061 nan 8.230 nan 0.000 0.513 131 Y N 0.814 121.198 120.300 0.141 0.000 3.032 131 Y HA 0.296 4.846 4.550 -0.000 0.000 0.232 131 Y C 1.677 177.672 175.900 0.158 0.000 1.099 131 Y CA -0.386 57.878 58.100 0.273 0.000 1.328 131 Y CB -0.194 38.499 38.460 0.389 0.000 1.432 131 Y HN 0.806 nan 8.280 nan 0.000 0.433 132 G N 0.667 109.379 108.800 -0.148 0.000 2.441 132 G HA2 0.079 4.039 3.960 -0.000 0.000 0.243 132 G HA3 0.079 4.039 3.960 -0.000 0.000 0.243 132 G C -0.298 174.400 174.900 -0.337 0.000 1.281 132 G CA 0.162 44.820 45.100 -0.737 0.000 0.854 132 G HN 0.200 nan 8.290 nan 0.000 0.560 133 D N -0.167 120.055 120.400 -0.295 0.000 2.249 133 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 133 D C 0.341 176.575 176.300 -0.110 0.000 0.962 133 D CA 0.732 54.659 54.000 -0.122 0.000 0.860 133 D CB 0.281 41.046 40.800 -0.058 0.000 0.955 133 D HN 0.258 nan 8.370 nan 0.000 0.505 134 N N -0.111 118.487 118.700 -0.170 0.000 2.594 134 N HA 0.093 4.833 4.740 -0.000 0.000 0.280 134 N C 1.091 176.513 175.510 -0.146 0.000 1.156 134 N CA -0.167 52.822 53.050 -0.101 0.000 0.831 134 N CB 1.261 39.727 38.487 -0.034 0.000 1.379 134 N HN -0.067 nan 8.380 nan 0.000 0.536 135 L N -0.228 120.911 121.223 -0.141 0.000 2.051 135 L HA -0.167 4.173 4.340 -0.000 0.000 0.214 135 L C 1.852 178.764 176.870 0.069 0.000 1.076 135 L CA 1.524 56.303 54.840 -0.102 0.000 0.758 135 L CB -0.476 41.528 42.059 -0.091 0.000 0.890 135 L HN 0.397 nan 8.230 nan 0.000 0.433 136 D N 0.556 121.016 120.400 0.100 0.000 2.137 136 D HA -0.320 4.320 4.640 -0.000 0.000 0.189 136 D C 2.170 178.568 176.300 0.163 0.000 0.998 136 D CA 2.256 56.357 54.000 0.169 0.000 0.839 136 D CB -0.278 40.539 40.800 0.029 0.000 0.962 136 D HN 0.534 nan 8.370 nan 0.000 0.446 137 Q N -0.929 118.914 119.800 0.073 0.000 2.133 137 Q HA -0.222 4.118 4.340 -0.000 0.000 0.208 137 Q C 2.342 178.455 176.000 0.188 0.000 0.991 137 Q CA 1.710 57.568 55.803 0.090 0.000 0.867 137 Q CB -0.201 28.556 28.738 0.032 0.000 0.911 137 Q HN 0.650 nan 8.270 nan 0.000 0.417 138 H N -2.034 117.034 119.070 -0.005 0.000 2.495 138 H HA -0.058 4.498 4.556 -0.000 0.000 0.287 138 H C 1.571 176.807 175.328 -0.153 0.000 1.033 138 H CA 0.381 56.381 56.048 -0.080 0.000 1.307 138 H CB 0.181 29.888 29.762 -0.092 0.000 1.401 138 H HN 0.260 nan 8.280 nan 0.000 0.555 139 F N 0.686 120.665 119.950 0.048 0.000 2.206 139 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 139 F C 2.315 178.075 175.800 -0.066 0.000 1.090 139 F CA 0.494 58.475 58.000 -0.031 0.000 1.323 139 F CB 0.203 39.219 39.000 0.026 0.000 1.028 139 F HN -0.069 nan 8.300 nan 0.000 0.492 140 R N 0.269 120.885 120.500 0.194 0.000 2.091 140 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 140 R C 1.961 178.255 176.300 -0.011 0.000 1.136 140 R CA 1.204 57.367 56.100 0.106 0.000 0.959 140 R CB -1.117 29.243 30.300 0.100 0.000 0.856 140 R HN 0.227 nan 8.270 nan 0.000 0.437 141 L N -0.166 121.017 121.223 -0.066 0.000 2.027 141 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 141 L C 2.126 178.741 176.870 -0.425 0.000 1.074 141 L CA 1.407 56.139 54.840 -0.180 0.000 0.745 141 L CB -0.630 41.314 42.059 -0.192 0.000 0.898 141 L HN 0.094 nan 8.230 nan 0.000 0.433 142 L N -0.679 120.156 121.223 -0.646 0.000 1.956 142 L HA -0.283 4.057 4.340 -0.000 0.000 0.216 142 L C 2.791 179.193 176.870 -0.780 0.000 1.073 142 L CA 1.628 55.694 54.840 -1.291 0.000 0.762 142 L CB -1.277 40.218 42.059 -0.941 0.000 0.889 142 L HN 0.300 nan 8.230 nan 0.000 0.433 143 A N -0.446 122.194 122.820 -0.300 0.000 1.933 143 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 143 A C 2.260 179.768 177.584 -0.127 0.000 1.175 143 A CA 1.959 53.914 52.037 -0.135 0.000 0.628 143 A CB -0.630 18.350 19.000 -0.034 0.000 0.814 143 A HN 0.505 nan 8.150 nan 0.000 0.444 144 Q N -0.173 119.546 119.800 -0.134 0.000 2.061 144 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 144 Q C 2.103 178.078 176.000 -0.042 0.000 0.984 144 Q CA 2.090 57.852 55.803 -0.068 0.000 0.846 144 Q CB -0.120 28.585 28.738 -0.055 0.000 0.902 144 Q HN 0.586 nan 8.270 nan 0.000 0.421 145 K N -0.267 120.076 120.400 -0.095 0.000 2.057 145 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 145 K C 2.172 178.870 176.600 0.164 0.000 1.050 145 K CA 1.650 57.991 56.287 0.090 0.000 0.935 145 K CB -0.024 32.678 32.500 0.337 0.000 0.715 145 K HN 0.488 nan 8.250 nan 0.000 0.439 146 Q N 0.342 120.230 119.800 0.147 0.000 2.020 146 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 146 Q C 2.202 178.259 176.000 0.094 0.000 0.982 146 Q CA 1.888 57.789 55.803 0.164 0.000 0.838 146 Q CB -0.570 28.250 28.738 0.137 0.000 0.899 146 Q HN 0.296 nan 8.270 nan 0.000 0.423 147 S N 1.735 117.455 115.700 0.034 0.000 2.370 147 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 147 S C 2.126 176.831 174.600 0.174 0.000 1.033 147 S CA 0.969 59.204 58.200 0.059 0.000 1.011 147 S CB -0.805 62.401 63.200 0.011 0.000 0.852 147 S HN 0.260 nan 8.310 nan 0.000 0.457 148 L N 1.838 123.129 121.223 0.113 0.000 1.971 148 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 148 L C -0.405 176.531 176.870 0.110 0.000 1.072 148 L CA 1.847 56.748 54.840 0.101 0.000 0.758 148 L CB -1.528 40.574 42.059 0.071 0.000 0.889 148 L HN 0.260 nan 8.230 nan 0.000 0.433 149 P HA -0.249 nan 4.420 nan 0.000 0.215 149 P C 1.319 178.683 177.300 0.107 0.000 1.157 149 P CA 1.467 64.623 63.100 0.093 0.000 0.874 149 P CB -0.132 31.625 31.700 0.095 0.000 0.790 150 Y N 0.260 120.564 120.300 0.005 0.000 2.081 150 Y HA -0.241 4.309 4.550 -0.000 0.000 0.280 150 Y C 2.049 177.946 175.900 -0.005 0.000 1.163 150 Y CA 1.592 59.689 58.100 -0.006 0.000 1.135 150 Y CB -1.147 37.313 38.460 0.000 0.000 0.970 150 Y HN -0.208 nan 8.280 nan 0.000 0.498 151 L N 0.030 121.332 121.223 0.131 0.000 1.943 151 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 151 L C 2.632 179.459 176.870 -0.071 0.000 1.074 151 L CA 1.768 56.609 54.840 0.001 0.000 0.759 151 L CB -0.803 41.321 42.059 0.108 0.000 0.888 151 L HN 0.214 nan 8.230 nan 0.000 0.433 152 E N 0.028 120.216 120.200 -0.019 0.000 2.197 152 E HA -0.326 4.024 4.350 -0.000 0.000 0.205 152 E C 2.066 178.627 176.600 -0.066 0.000 1.029 152 E CA 1.787 58.168 56.400 -0.031 0.000 0.828 152 E CB -0.247 29.449 29.700 -0.007 0.000 0.737 152 E HN 0.560 nan 8.360 nan 0.000 0.464 153 A N 0.760 123.524 122.820 -0.094 0.000 1.968 153 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 153 A C 2.373 179.860 177.584 -0.161 0.000 1.169 153 A CA 1.613 53.581 52.037 -0.115 0.000 0.638 153 A CB -0.328 18.602 19.000 -0.117 0.000 0.812 153 A HN 0.278 nan 8.150 nan 0.000 0.446 154 A N 0.849 123.533 122.820 -0.227 0.000 1.841 154 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 154 A C 1.937 179.427 177.584 -0.157 0.000 1.195 154 A CA 1.562 53.454 52.037 -0.242 0.000 0.611 154 A CB -0.756 18.048 19.000 -0.327 0.000 0.835 154 A HN 0.558 nan 8.150 nan 0.000 0.443 155 N N 0.584 119.214 118.700 -0.117 0.000 2.058 155 N HA -0.250 4.490 4.740 -0.000 0.000 0.200 155 N C 1.776 177.232 175.510 -0.089 0.000 1.033 155 N CA 2.027 55.026 53.050 -0.084 0.000 0.880 155 N CB -0.904 37.548 38.487 -0.059 0.000 1.069 155 N HN 0.516 nan 8.380 nan 0.000 0.461 156 L N 1.078 122.249 121.223 -0.086 0.000 2.030 156 L HA -0.243 4.097 4.340 -0.000 0.000 0.222 156 L C 2.552 179.360 176.870 -0.104 0.000 1.082 156 L CA 1.353 56.142 54.840 -0.085 0.000 0.785 156 L CB -0.741 41.270 42.059 -0.079 0.000 0.895 156 L HN 0.224 nan 8.230 nan 0.000 0.439 157 L N -0.890 120.257 121.223 -0.127 0.000 2.046 157 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 157 L C 2.638 179.419 176.870 -0.149 0.000 1.077 157 L CA 1.423 56.171 54.840 -0.152 0.000 0.747 157 L CB -0.573 41.376 42.059 -0.184 0.000 0.896 157 L HN 0.288 nan 8.230 nan 0.000 0.432 158 L N -0.486 120.656 121.223 -0.135 0.000 2.017 158 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 158 L C 2.629 179.441 176.870 -0.096 0.000 1.073 158 L CA 1.367 56.136 54.840 -0.119 0.000 0.745 158 L CB -0.766 41.233 42.059 -0.100 0.000 0.894 158 L HN 0.208 nan 8.230 nan 0.000 0.432 159 Q N 0.660 120.409 119.800 -0.085 0.000 2.112 159 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 159 Q C 0.960 176.916 176.000 -0.073 0.000 0.987 159 Q CA 1.293 57.054 55.803 -0.070 0.000 0.858 159 Q CB -0.496 28.204 28.738 -0.063 0.000 0.905 159 Q HN 0.473 nan 8.270 nan 0.000 0.420 160 A N 0.340 123.105 122.820 -0.091 0.000 2.540 160 A HA 0.100 4.420 4.320 -0.000 0.000 0.239 160 A C 0.143 177.671 177.584 -0.092 0.000 1.061 160 A CA 0.425 52.403 52.037 -0.098 0.000 0.758 160 A CB 0.054 18.980 19.000 -0.124 0.000 0.991 160 A HN 0.481 nan 8.150 nan 0.000 0.502 161 Q N 1.005 120.756 119.800 -0.082 0.000 2.127 161 Q HA 0.317 4.657 4.340 -0.000 0.000 0.222 161 Q C -0.354 175.604 176.000 -0.069 0.000 0.794 161 Q CA -0.217 55.547 55.803 -0.064 0.000 1.010 161 Q CB -0.277 28.436 28.738 -0.040 0.000 1.170 161 Q HN 0.658 nan 8.270 nan 0.000 0.479 162 L N 1.142 122.305 121.223 -0.101 0.000 2.264 162 L HA 0.863 5.203 4.340 -0.000 0.000 0.287 162 L C -2.773 174.021 176.870 -0.128 0.000 1.039 162 L CA -1.245 53.524 54.840 -0.118 0.000 0.829 162 L CB 1.127 43.085 42.059 -0.169 0.000 1.211 162 L HN -0.010 nan 8.230 nan 0.000 0.427 163 P HA 0.439 nan 4.420 nan 0.000 0.235 163 P C -2.830 174.494 177.300 0.040 0.000 1.666 163 P CA -1.032 62.053 63.100 -0.024 0.000 1.401 163 P CB 2.222 33.915 31.700 -0.012 0.000 1.230 164 P HA -0.055 nan 4.420 nan 0.000 0.240 164 P C -0.307 177.079 177.300 0.144 0.000 1.190 164 P CA 0.436 63.612 63.100 0.126 0.000 0.781 164 P CB 0.464 32.287 31.700 0.206 0.000 0.931 165 K N -0.564 119.930 120.400 0.156 0.000 1.095 165 K HA -0.158 4.162 4.320 -0.000 0.000 0.721 165 K C -2.488 174.261 176.600 0.248 0.000 2.325 165 K CA 0.609 57.019 56.287 0.204 0.000 1.605 165 K CB -2.427 30.192 32.500 0.197 0.000 2.579 165 K HN 0.236 nan 8.250 nan 0.000 0.382 166 P HA 0.468 nan 4.420 nan 0.000 0.292 166 P C -2.703 174.812 177.300 0.358 0.000 1.313 166 P CA -1.726 61.591 63.100 0.363 0.000 0.965 166 P CB 3.164 35.191 31.700 0.544 0.000 1.303 167 P HA 0.195 nan 4.420 nan 0.000 0.263 167 P C 0.279 177.820 177.300 0.402 0.000 0.808 167 P CA 1.271 64.556 63.100 0.309 0.000 1.327 167 P CB -0.215 31.616 31.700 0.218 0.000 0.842 168 A N -0.384 122.622 122.820 0.309 0.000 2.901 168 A HA -0.184 4.136 4.320 -0.000 0.000 0.283 168 A C 0.392 178.147 177.584 0.285 0.000 1.298 168 A CA 1.329 53.501 52.037 0.225 0.000 1.013 168 A CB -2.757 16.334 19.000 0.152 0.000 0.926 168 A HN 0.567 nan 8.150 nan 0.000 0.628 169 W N -2.631 118.825 121.300 0.261 0.000 6.075 169 W HA 0.042 4.702 4.660 -0.000 0.000 0.430 169 W C 0.662 177.376 176.519 0.325 0.000 1.791 169 W CA 0.735 58.251 57.345 0.286 0.000 0.971 169 W CB -1.816 27.782 29.460 0.230 0.000 2.915 169 W HN 2.400 nan 8.180 nan 0.000 1.242 170 A N 2.795 125.961 122.820 0.577 0.000 5.330 170 A HA -0.028 4.292 4.320 -0.000 0.000 0.357 170 A C 1.232 178.918 177.584 0.170 0.000 1.623 170 A CA 3.908 56.225 52.037 0.467 0.000 0.744 170 A CB -1.789 17.508 19.000 0.496 0.000 1.497 170 A HN 2.647 nan 8.150 nan 0.000 0.422 171 W N -2.659 118.536 121.300 -0.175 0.000 3.684 171 W HA 0.414 5.074 4.660 -0.000 0.000 0.320 171 W C -0.499 175.742 176.519 -0.463 0.000 0.087 171 W CA 0.800 57.958 57.345 -0.312 0.000 0.453 171 W CB -0.999 28.320 29.460 -0.235 0.000 0.871 171 W HN 2.895 nan 8.180 nan 0.000 0.438 172 A N 1.781 124.221 122.820 -0.633 0.000 2.481 172 A HA 0.569 4.889 4.320 -0.000 0.000 0.295 172 A C -0.625 176.567 177.584 -0.654 0.000 0.986 172 A CA 1.020 52.657 52.037 -0.667 0.000 0.617 172 A CB 0.909 19.751 19.000 -0.262 0.000 1.364 172 A HN 1.931 nan 8.150 nan 0.000 0.452 173 E N -1.309 118.739 120.200 -0.254 0.000 5.920 173 E HA 0.359 4.709 4.350 -0.000 0.000 0.547 173 E C -0.085 176.641 176.600 0.210 0.000 1.264 173 E CA 0.814 57.221 56.400 0.013 0.000 2.989 173 E CB -1.001 28.659 29.700 -0.067 0.000 0.795 173 E HN 2.278 nan 8.360 nan 0.000 0.269 174 G N 2.892 111.894 108.800 0.335 0.000 2.326 174 G HA2 0.309 4.269 3.960 -0.000 0.000 0.286 174 G HA3 0.309 4.269 3.960 -0.000 0.000 0.286 174 G C -0.135 175.074 174.900 0.516 0.000 0.927 174 G CA 0.827 46.194 45.100 0.446 0.000 1.553 174 G HN 0.639 nan 8.290 nan 0.000 0.415 175 W N 1.316 122.829 121.300 0.355 0.000 3.892 175 W HA 0.793 5.453 4.660 -0.000 0.000 0.394 175 W C -1.032 175.615 176.519 0.213 0.000 1.293 175 W CA -0.994 56.470 57.345 0.198 0.000 1.172 175 W CB 0.427 29.932 29.460 0.074 0.000 1.623 175 W HN 0.261 nan 8.180 nan 0.000 0.633 176 T N 1.595 116.159 114.554 0.017 0.000 2.916 176 T HA 0.289 4.639 4.350 -0.000 0.000 0.305 176 T C 1.037 175.744 174.700 0.013 0.000 1.119 176 T CA -0.266 61.888 62.100 0.089 0.000 1.008 176 T CB 2.563 71.488 68.868 0.095 0.000 1.129 176 T HN 0.546 nan 8.240 nan 0.000 0.480 177 R N 1.864 122.531 120.500 0.279 0.000 2.126 177 R HA -0.058 4.282 4.340 -0.000 0.000 0.224 177 R C 0.619 177.067 176.300 0.247 0.000 1.128 177 R CA 1.114 57.413 56.100 0.332 0.000 0.895 177 R CB -0.808 29.720 30.300 0.380 0.000 0.817 177 R HN 0.506 nan 8.270 nan 0.000 0.435 178 Y N 1.878 122.214 120.300 0.060 0.000 2.846 178 Y HA 0.185 4.735 4.550 -0.000 0.000 0.352 178 Y C 0.117 176.017 175.900 -0.001 0.000 1.298 178 Y CA 0.721 58.836 58.100 0.025 0.000 1.634 178 Y CB -0.002 38.458 38.460 -0.001 0.000 1.214 178 Y HN 0.563 nan 8.280 nan 0.000 0.529 179 G N 7.755 116.590 108.800 0.058 0.000 4.003 179 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.234 179 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.234 179 G C -1.913 172.972 174.900 -0.024 0.000 3.841 179 G CA -0.258 44.792 45.100 -0.083 0.000 0.584 179 G HN 0.411 nan 8.290 nan 0.000 0.240 180 P HA -0.045 nan 4.420 nan 0.000 0.222 180 P C 0.089 177.377 177.300 -0.020 0.000 1.142 180 P CA 1.331 64.447 63.100 0.027 0.000 0.788 180 P CB 0.550 32.253 31.700 0.004 0.000 0.767 181 E N -0.327 119.820 120.200 -0.088 0.000 3.074 181 E HA 0.544 4.894 4.350 -0.000 0.000 0.287 181 E C -0.345 176.157 176.600 -0.164 0.000 1.194 181 E CA -0.334 55.998 56.400 -0.114 0.000 0.836 181 E CB 0.790 30.423 29.700 -0.113 0.000 1.468 181 E HN 0.060 nan 8.360 nan 0.000 0.383 182 G N 0.725 109.434 108.800 -0.151 0.000 2.706 182 G HA2 0.746 4.706 3.960 -0.000 0.000 0.297 182 G HA3 0.746 4.706 3.960 -0.000 0.000 0.297 182 G C -1.065 173.664 174.900 -0.284 0.000 1.403 182 G CA -0.490 44.489 45.100 -0.201 0.000 0.954 182 G HN 0.154 nan 8.290 nan 0.000 0.500 183 E N -0.340 119.555 120.200 -0.508 0.000 2.338 183 E HA 0.483 4.833 4.350 -0.000 0.000 0.277 183 E C -0.612 175.201 176.600 -1.312 0.000 1.213 183 E CA -0.100 55.753 56.400 -0.911 0.000 0.946 183 E CB 0.887 30.250 29.700 -0.562 0.000 1.223 183 E HN 2.588 nan 8.360 nan 0.000 0.412 184 A N -0.524 120.659 122.820 -2.728 0.000 2.435 184 A HA 0.252 4.572 4.320 -0.000 0.000 0.686 184 A C -0.492 176.622 177.584 -0.784 0.000 0.138 184 A CA 0.483 51.412 52.037 -1.847 0.000 0.024 184 A CB -1.763 16.756 19.000 -0.802 0.000 3.974 184 A HN 1.865 nan 8.150 nan 0.000 0.548 185 V N 0.385 120.217 119.914 -0.137 0.000 3.282 185 V HA 0.965 5.085 4.120 -0.000 0.000 0.295 185 V C -2.588 173.609 176.094 0.173 0.000 1.451 185 V CA -0.738 61.585 62.300 0.039 0.000 1.062 185 V CB 1.829 33.724 31.823 0.120 0.000 1.128 185 V HN 1.731 nan 8.190 nan 0.000 0.456 186 P HA 0.456 nan 4.420 nan 0.000 0.279 186 P C -0.752 176.659 177.300 0.185 0.000 1.252 186 P CA -0.311 62.870 63.100 0.135 0.000 0.811 186 P CB 1.876 33.632 31.700 0.094 0.000 1.035 187 V N 1.063 121.089 119.914 0.187 0.000 2.353 187 V HA 0.604 4.724 4.120 -0.000 0.000 0.264 187 V C -0.514 175.701 176.094 0.201 0.000 1.049 187 V CA -0.052 62.383 62.300 0.225 0.000 0.896 187 V CB -0.557 31.416 31.823 0.249 0.000 1.025 187 V HN 0.929 nan 8.190 nan 0.000 0.475 188 A N 7.142 130.085 122.820 0.204 0.000 2.513 188 A HA 0.537 4.857 4.320 -0.000 0.000 0.296 188 A C -0.584 177.111 177.584 0.185 0.000 1.052 188 A CA -0.622 51.520 52.037 0.175 0.000 0.714 188 A CB 1.179 20.266 19.000 0.146 0.000 1.279 188 A HN 1.069 nan 8.150 nan 0.000 0.397 189 I N 3.427 124.094 120.570 0.162 0.000 2.880 189 I HA 0.122 4.292 4.170 -0.000 0.000 0.296 189 I C -1.677 174.554 176.117 0.190 0.000 1.220 189 I CA -0.942 60.466 61.300 0.179 0.000 1.435 189 I CB 0.974 39.046 38.000 0.119 0.000 1.339 189 I HN 0.441 nan 8.210 nan 0.000 0.583 190 P HA -0.133 nan 4.420 nan 0.000 0.261 190 P C -0.153 177.225 177.300 0.130 0.000 1.158 190 P CA 0.480 63.685 63.100 0.174 0.000 0.758 190 P CB 0.356 32.155 31.700 0.165 0.000 0.763 191 E N 2.274 122.539 120.200 0.109 0.000 2.520 191 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 191 E C 1.012 177.656 176.600 0.072 0.000 1.122 191 E CA 0.436 56.890 56.400 0.090 0.000 0.896 191 E CB -0.659 29.090 29.700 0.080 0.000 0.891 191 E HN 0.509 nan 8.360 nan 0.000 0.533 192 E N -1.071 119.173 120.200 0.074 0.000 3.357 192 E HA -0.511 3.839 4.350 -0.000 0.000 0.416 192 E C 0.630 177.239 176.600 0.015 0.000 1.565 192 E CA 1.967 58.398 56.400 0.051 0.000 1.422 192 E CB -0.282 29.453 29.700 0.059 0.000 1.536 192 E HN 0.187 nan 8.360 nan 0.000 0.459 193 R N -1.652 118.855 120.500 0.013 0.000 1.186 193 R HA -0.092 4.248 4.340 -0.000 0.000 0.020 193 R C -1.203 175.083 176.300 -0.024 0.000 0.960 193 R CA 3.262 59.358 56.100 -0.007 0.000 1.987 193 R CB -1.880 28.408 30.300 -0.021 0.000 0.142 193 R HN 1.177 nan 8.270 nan 0.000 0.731 194 A N 0.016 122.809 122.820 -0.045 0.000 2.589 194 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 194 A C -1.284 176.241 177.584 -0.099 0.000 1.062 194 A CA -0.370 51.627 52.037 -0.067 0.000 0.686 194 A CB 1.369 20.309 19.000 -0.101 0.000 1.282 194 A HN 0.161 nan 8.150 nan 0.000 0.404 195 L N 0.092 121.264 121.223 -0.086 0.000 2.389 195 L HA 0.881 5.221 4.340 -0.000 0.000 0.249 195 L C -0.915 175.834 176.870 -0.201 0.000 1.083 195 L CA -1.083 53.663 54.840 -0.157 0.000 0.876 195 L CB 2.420 44.440 42.059 -0.065 0.000 1.489 195 L HN 0.950 nan 8.230 nan 0.000 0.412 196 V N -1.934 117.775 119.914 -0.343 0.000 2.697 196 V HA 0.584 4.704 4.120 -0.000 0.000 0.300 196 V C -1.489 174.456 176.094 -0.248 0.000 1.115 196 V CA -0.559 61.516 62.300 -0.375 0.000 0.912 196 V CB 1.502 32.947 31.823 -0.629 0.000 1.024 196 V HN 0.469 nan 8.190 nan 0.000 0.431 197 F N 0.812 120.848 119.950 0.143 0.000 2.507 197 F HA 0.733 5.260 4.527 -0.000 0.000 0.325 197 F C 0.756 176.837 175.800 0.470 0.000 1.116 197 F CA 0.406 58.634 58.000 0.380 0.000 0.930 197 F CB 1.871 41.071 39.000 0.334 0.000 1.146 197 F HN 0.867 nan 8.300 nan 0.000 0.447 198 D N 2.038 122.821 120.400 0.638 0.000 2.225 198 D HA 0.760 5.400 4.640 -0.000 0.000 0.249 198 D C -0.922 175.491 176.300 0.188 0.000 1.052 198 D CA -0.383 53.831 54.000 0.356 0.000 0.909 198 D CB 1.855 42.660 40.800 0.008 0.000 1.186 198 D HN 0.353 nan 8.370 nan 0.000 0.431 199 V N -0.462 119.498 119.914 0.076 0.000 3.049 199 V HA 0.928 5.048 4.120 -0.000 0.000 0.309 199 V C 0.159 176.199 176.094 -0.090 0.000 1.148 199 V CA -0.447 61.837 62.300 -0.026 0.000 0.990 199 V CB 1.151 32.927 31.823 -0.078 0.000 1.039 199 V HN 1.164 nan 8.190 nan 0.000 0.430 200 E N 0.683 120.829 120.200 -0.091 0.000 2.416 200 E HA 0.912 5.262 4.350 -0.000 0.000 0.273 200 E C -1.724 174.825 176.600 -0.085 0.000 0.935 200 E CA -0.603 55.728 56.400 -0.116 0.000 0.784 200 E CB 2.361 32.022 29.700 -0.065 0.000 1.301 200 E HN 0.735 nan 8.360 nan 0.000 0.454 201 V N -0.507 119.348 119.914 -0.098 0.000 3.147 201 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 201 V C -0.523 175.547 176.094 -0.040 0.000 1.209 201 V CA -0.935 61.336 62.300 -0.050 0.000 1.023 201 V CB 2.138 33.942 31.823 -0.032 0.000 1.059 201 V HN 1.217 nan 8.190 nan 0.000 0.435 202 C N 3.304 122.597 119.300 -0.011 0.000 2.593 202 C HA 0.288 4.748 4.460 -0.000 0.000 0.409 202 C C 1.881 176.863 174.990 -0.012 0.000 1.304 202 C CA -0.270 58.743 59.018 -0.008 0.000 2.007 202 C CB -0.314 27.433 27.740 0.012 0.000 2.614 202 C HN 0.984 nan 8.230 nan 0.000 0.585 203 L N 3.354 124.562 121.223 -0.026 0.000 2.109 203 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 203 L C 2.552 179.408 176.870 -0.024 0.000 1.086 203 L CA 1.844 56.665 54.840 -0.032 0.000 0.760 203 L CB -0.686 41.341 42.059 -0.053 0.000 0.910 203 L HN 0.879 nan 8.230 nan 0.000 0.437 204 A N -0.073 122.736 122.820 -0.019 0.000 1.900 204 A HA -0.261 4.059 4.320 -0.000 0.000 0.225 204 A C 0.566 178.161 177.584 0.017 0.000 1.414 204 A CA 2.311 54.351 52.037 0.004 0.000 0.702 204 A CB -0.330 18.694 19.000 0.041 0.000 0.845 204 A HN 0.716 nan 8.150 nan 0.000 0.478 205 E N -4.555 115.659 120.200 0.025 0.000 5.791 205 E HA 0.416 4.766 4.350 -0.000 0.000 0.540 205 E C -0.484 176.142 176.600 0.043 0.000 1.275 205 E CA 1.148 57.568 56.400 0.032 0.000 2.925 205 E CB -0.931 28.790 29.700 0.036 0.000 0.825 205 E HN 2.147 nan 8.360 nan 0.000 0.274 206 G N 0.109 108.937 108.800 0.048 0.000 3.326 206 G HA2 0.131 4.091 3.960 -0.000 0.000 0.681 206 G HA3 0.131 4.091 3.960 -0.000 0.000 0.681 206 G C 0.160 175.088 174.900 0.047 0.000 1.255 206 G CA 0.342 45.474 45.100 0.053 0.000 0.976 206 G HN 0.967 nan 8.290 nan 0.000 0.563 207 T N -1.708 112.877 114.554 0.052 0.000 3.188 207 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 207 T C 1.425 176.147 174.700 0.036 0.000 1.077 207 T CA 0.446 62.576 62.100 0.050 0.000 0.967 207 T CB -0.656 68.246 68.868 0.056 0.000 1.006 207 T HN 1.206 nan 8.240 nan 0.000 0.552 208 C N 4.397 123.718 119.300 0.035 0.000 2.597 208 C HA 0.245 4.705 4.460 -0.000 0.000 0.412 208 C C -1.047 173.947 174.990 0.007 0.000 1.348 208 C CA -1.664 57.369 59.018 0.024 0.000 1.769 208 C CB -0.364 27.398 27.740 0.037 0.000 2.641 208 C HN 0.431 nan 8.230 nan 0.000 0.612 209 P HA 0.424 nan 4.420 nan 0.000 0.275 209 P C -0.666 176.626 177.300 -0.013 0.000 1.266 209 P CA 0.240 63.318 63.100 -0.037 0.000 0.793 209 P CB 0.698 32.343 31.700 -0.091 0.000 1.074 210 T N -0.795 113.758 114.554 -0.002 0.000 4.063 210 T HA 0.460 4.810 4.350 -0.000 0.000 0.430 210 T C -0.828 173.925 174.700 0.087 0.000 1.293 210 T CA -0.488 61.646 62.100 0.057 0.000 1.109 210 T CB -0.132 68.774 68.868 0.064 0.000 1.320 210 T HN 0.497 nan 8.240 nan 0.000 0.456 211 L N 0.878 122.208 121.223 0.178 0.000 0.619 211 L HA 0.395 4.735 4.340 -0.000 0.000 0.356 211 L C 0.049 176.866 176.870 -0.088 0.000 0.930 211 L CA 0.662 55.543 54.840 0.069 0.000 1.223 211 L CB -0.995 41.069 42.059 0.009 0.000 0.074 211 L HN 1.849 nan 8.230 nan 0.000 0.096 212 A N -1.105 121.579 122.820 -0.226 0.000 3.416 212 A HA 0.809 5.129 4.320 -0.000 0.000 0.251 212 A C -0.597 176.882 177.584 -0.176 0.000 0.996 212 A CA 0.459 52.536 52.037 0.068 0.000 0.543 212 A CB -0.493 18.635 19.000 0.214 0.000 1.711 212 A HN 2.439 nan 8.150 nan 0.000 0.848 213 V N -2.079 117.847 119.914 0.020 0.000 2.389 213 V HA 0.601 4.721 4.120 -0.000 0.000 0.304 213 V C -0.459 175.696 176.094 0.101 0.000 1.782 213 V CA 0.323 62.481 62.300 -0.237 0.000 0.796 213 V CB 0.868 32.290 31.823 -0.668 0.000 1.267 213 V HN 3.038 nan 8.190 nan 0.000 0.304 214 A N 3.981 126.888 122.820 0.144 0.000 2.765 214 A HA 1.008 5.328 4.320 -0.000 0.000 0.305 214 A C -1.361 175.559 177.584 -1.108 0.000 1.229 214 A CA -0.167 51.426 52.037 -0.740 0.000 0.653 214 A CB 1.713 20.282 19.000 -0.718 0.000 1.375 214 A HN 1.409 nan 8.150 nan 0.000 0.540 215 I N 0.451 120.575 120.570 -0.742 0.000 2.588 215 I HA 0.277 4.447 4.170 -0.000 0.000 0.278 215 I C 0.057 175.985 176.117 -0.315 0.000 1.144 215 I CA -0.101 60.853 61.300 -0.577 0.000 1.074 215 I CB 1.483 39.088 38.000 -0.658 0.000 1.235 215 I HN 0.714 nan 8.210 nan 0.000 0.472 216 S N 5.226 120.810 115.700 -0.193 0.000 3.341 216 S HA -0.090 4.380 4.470 -0.000 0.000 0.414 216 S C -1.890 172.652 174.600 -0.097 0.000 0.869 216 S CA -0.079 58.048 58.200 -0.122 0.000 1.349 216 S CB -0.133 62.982 63.200 -0.142 0.000 0.938 216 S HN 0.518 nan 8.310 nan 0.000 0.615 217 P HA 0.145 nan 4.420 nan 0.000 0.224 217 P C 0.955 178.283 177.300 0.047 0.000 1.157 217 P CA 1.037 64.144 63.100 0.013 0.000 0.799 217 P CB 0.142 31.877 31.700 0.057 0.000 0.809 218 S N -4.363 111.338 115.700 0.001 0.000 1.538 218 S HA -0.081 4.389 4.470 -0.000 0.000 0.249 218 S C 1.104 175.851 174.600 0.245 0.000 0.938 218 S CA 0.008 58.275 58.200 0.112 0.000 1.162 218 S CB -2.158 61.222 63.200 0.300 0.000 1.368 218 S HN 0.451 nan 8.310 nan 0.000 0.522 219 A N 1.867 124.830 122.820 0.238 0.000 5.661 219 A HA 0.037 4.357 4.320 -0.000 0.000 0.672 219 A C 0.526 178.510 177.584 0.667 0.000 1.636 219 A CA 1.921 54.191 52.037 0.389 0.000 2.156 219 A CB -1.059 18.141 19.000 0.333 0.000 1.553 219 A HN 1.767 nan 8.150 nan 0.000 0.771 220 W N -5.811 115.681 121.300 0.320 0.000 3.444 220 W HA 0.183 4.843 4.660 -0.000 0.000 0.331 220 W C 0.536 177.142 176.519 0.145 0.000 0.571 220 W CA -0.102 57.371 57.345 0.214 0.000 0.686 220 W CB -0.754 28.866 29.460 0.267 0.000 1.252 220 W HN 0.806 nan 8.180 nan 0.000 0.489 221 Y N 1.559 122.118 120.300 0.431 0.000 2.284 221 Y HA -0.417 4.133 4.550 -0.000 0.000 0.247 221 Y C 1.863 177.802 175.900 0.065 0.000 1.337 221 Y CA 4.630 62.859 58.100 0.215 0.000 1.027 221 Y CB -1.176 37.427 38.460 0.238 0.000 0.826 221 Y HN 0.696 nan 8.280 nan 0.000 0.526 222 S N -4.058 111.766 115.700 0.206 0.000 3.425 222 S HA -0.204 4.266 4.470 -0.000 0.000 0.815 222 S C 0.333 174.971 174.600 0.064 0.000 1.102 222 S CA -0.305 57.867 58.200 -0.048 0.000 1.114 222 S CB -1.436 61.583 63.200 -0.301 0.000 0.716 222 S HN 0.455 nan 8.310 nan 0.000 0.321 223 W N -0.197 121.119 121.300 0.027 0.000 2.296 223 W HA -0.218 4.442 4.660 -0.000 0.000 0.282 223 W C 2.770 179.279 176.519 -0.017 0.000 1.207 223 W CA -0.088 57.251 57.345 -0.009 0.000 1.183 223 W CB -2.587 26.874 29.460 0.001 0.000 1.135 223 W HN 0.921 nan 8.180 nan 0.000 0.557 224 C N 0.664 120.051 119.300 0.145 0.000 2.336 224 C HA -0.311 4.149 4.460 -0.000 0.000 0.278 224 C C 3.048 178.077 174.990 0.065 0.000 1.172 224 C CA 2.586 61.660 59.018 0.094 0.000 1.779 224 C CB -1.264 26.511 27.740 0.058 0.000 1.986 224 C HN 0.403 nan 8.230 nan 0.000 0.430 225 S N 0.103 115.818 115.700 0.025 0.000 2.408 225 S HA -0.343 4.127 4.470 -0.000 0.000 0.241 225 S C 1.768 176.393 174.600 0.042 0.000 1.080 225 S CA 2.553 60.763 58.200 0.018 0.000 1.109 225 S CB -0.602 62.513 63.200 -0.141 0.000 0.966 225 S HN 0.885 nan 8.310 nan 0.000 0.449 226 Q N -0.402 119.398 119.800 -0.001 0.000 2.245 226 Q HA 0.046 4.386 4.340 -0.000 0.000 0.201 226 Q C 2.145 178.160 176.000 0.026 0.000 0.955 226 Q CA 0.788 56.594 55.803 0.006 0.000 0.870 226 Q CB -0.176 28.539 28.738 -0.039 0.000 0.945 226 Q HN 0.313 nan 8.270 nan 0.000 0.461 227 R N 1.297 121.827 120.500 0.050 0.000 2.052 227 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 227 R C 2.437 178.763 176.300 0.044 0.000 1.145 227 R CA 1.399 57.532 56.100 0.054 0.000 0.952 227 R CB -0.681 29.677 30.300 0.096 0.000 0.847 227 R HN 0.373 nan 8.270 nan 0.000 0.431 228 L N -0.165 121.089 121.223 0.053 0.000 1.956 228 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 228 L C 2.220 179.115 176.870 0.041 0.000 1.073 228 L CA 2.022 56.890 54.840 0.048 0.000 0.762 228 L CB -1.746 40.345 42.059 0.053 0.000 0.889 228 L HN 0.070 nan 8.230 nan 0.000 0.433 229 V N -1.742 118.199 119.914 0.046 0.000 2.277 229 V HA -0.380 3.740 4.120 -0.000 0.000 0.253 229 V C 2.444 178.551 176.094 0.021 0.000 1.067 229 V CA 2.430 64.753 62.300 0.039 0.000 1.047 229 V CB -1.254 30.596 31.823 0.045 0.000 0.649 229 V HN 0.709 nan 8.190 nan 0.000 0.447 230 E N -0.020 120.187 120.200 0.011 0.000 2.038 230 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 230 E C 1.055 177.633 176.600 -0.037 0.000 1.000 230 E CA 1.161 57.555 56.400 -0.011 0.000 0.803 230 E CB 0.011 29.703 29.700 -0.013 0.000 0.750 230 E HN 0.689 nan 8.360 nan 0.000 0.448 231 E N 0.560 120.735 120.200 -0.042 0.000 2.390 231 E HA 0.028 4.378 4.350 -0.000 0.000 0.261 231 E C -0.313 176.208 176.600 -0.131 0.000 1.076 231 E CA -0.045 56.302 56.400 -0.089 0.000 0.905 231 E CB 0.846 30.502 29.700 -0.074 0.000 0.984 231 E HN 0.128 nan 8.360 nan 0.000 0.427 232 R N 2.203 122.541 120.500 -0.270 0.000 3.038 232 R HA -0.290 4.050 4.340 -0.000 0.000 0.242 232 R C -0.626 175.415 176.300 -0.431 0.000 0.866 232 R CA 0.850 56.644 56.100 -0.510 0.000 0.601 232 R CB -1.592 28.511 30.300 -0.328 0.000 1.107 232 R HN 0.670 nan 8.270 nan 0.000 0.492 233 Y N -3.555 116.723 120.300 -0.037 0.000 4.779 233 Y HA -0.390 4.160 4.550 -0.000 0.000 0.284 233 Y C 1.014 176.843 175.900 -0.120 0.000 0.973 233 Y CA 1.277 59.335 58.100 -0.069 0.000 1.792 233 Y CB -2.238 36.180 38.460 -0.069 0.000 1.120 233 Y HN 0.642 nan 8.280 nan 0.000 0.450 234 S N -2.632 113.075 115.700 0.012 0.000 3.062 234 S HA 0.335 4.805 4.470 -0.000 0.000 0.291 234 S C -1.771 172.829 174.600 -0.000 0.000 1.216 234 S CA -0.178 57.948 58.200 -0.123 0.000 1.582 234 S CB -0.798 62.175 63.200 -0.379 0.000 1.261 234 S HN 0.891 nan 8.310 nan 0.000 0.354 235 W N 1.586 122.906 121.300 0.033 0.000 2.967 235 W HA 0.773 5.433 4.660 -0.000 0.000 0.342 235 W C 0.207 176.739 176.519 0.022 0.000 1.162 235 W CA 0.539 57.897 57.345 0.021 0.000 1.085 235 W CB -0.400 29.064 29.460 0.007 0.000 1.460 235 W HN 1.600 nan 8.180 nan 0.000 0.584 236 T N 0.136 114.977 114.554 0.478 0.000 0.541 236 T HA -0.187 4.163 4.350 -0.000 0.000 0.774 236 T C 0.984 175.781 174.700 0.162 0.000 0.992 236 T CA 3.698 65.974 62.100 0.293 0.000 4.077 236 T CB -1.623 67.447 68.868 0.335 0.000 2.303 236 T HN 2.980 nan 8.240 nan 0.000 0.398 237 S N -0.229 115.542 115.700 0.118 0.000 4.155 237 S HA -0.260 4.210 4.470 -0.000 0.000 0.576 237 S C 0.284 174.929 174.600 0.075 0.000 1.870 237 S CA 2.161 60.408 58.200 0.079 0.000 4.248 237 S CB -1.794 61.441 63.200 0.058 0.000 0.215 237 S HN 1.440 nan 8.310 nan 0.000 0.460 238 Q N 1.854 121.697 119.800 0.071 0.000 2.443 238 Q HA 0.478 4.818 4.340 -0.000 0.000 0.232 238 Q C 0.766 176.806 176.000 0.066 0.000 1.026 238 Q CA 0.262 56.104 55.803 0.065 0.000 0.924 238 Q CB 0.051 28.827 28.738 0.062 0.000 1.256 238 Q HN 0.742 nan 8.270 nan 0.000 0.519 239 L N 0.013 121.270 121.223 0.056 0.000 2.912 239 L HA 0.237 4.577 4.340 -0.000 0.000 0.240 239 L C 1.154 178.050 176.870 0.042 0.000 1.262 239 L CA -0.132 54.740 54.840 0.053 0.000 1.058 239 L CB -0.211 41.879 42.059 0.051 0.000 1.383 239 L HN 0.361 nan 8.230 nan 0.000 0.512 240 S N 1.649 117.374 115.700 0.041 0.000 2.370 240 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 240 S C -0.637 173.970 174.600 0.011 0.000 1.033 240 S CA 1.454 59.667 58.200 0.022 0.000 1.011 240 S CB -0.619 62.593 63.200 0.021 0.000 0.852 240 S HN 0.393 nan 8.310 nan 0.000 0.457 241 P HA 0.283 nan 4.420 nan 0.000 0.255 241 P C -0.186 177.136 177.300 0.037 0.000 1.301 241 P CA 0.365 63.480 63.100 0.024 0.000 0.817 241 P CB 0.228 31.949 31.700 0.035 0.000 1.259 242 A N -0.635 122.209 122.820 0.040 0.000 2.793 242 A HA 0.211 4.531 4.320 -0.000 0.000 0.301 242 A C 1.030 178.639 177.584 0.041 0.000 1.172 242 A CA -0.017 52.050 52.037 0.049 0.000 0.973 242 A CB -0.379 18.656 19.000 0.058 0.000 1.164 242 A HN -0.106 nan 8.150 nan 0.000 0.542 243 D N -0.118 120.299 120.400 0.029 0.000 2.262 243 D HA -0.022 4.618 4.640 -0.000 0.000 0.212 243 D C 1.985 178.302 176.300 0.029 0.000 0.964 243 D CA 1.303 55.312 54.000 0.015 0.000 0.875 243 D CB 0.166 40.969 40.800 0.005 0.000 0.996 243 D HN 0.515 nan 8.370 nan 0.000 0.497 244 L N -0.273 120.973 121.223 0.040 0.000 2.217 244 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 244 L C 2.176 179.090 176.870 0.074 0.000 1.107 244 L CA 0.881 55.755 54.840 0.057 0.000 0.783 244 L CB -1.023 41.070 42.059 0.056 0.000 0.919 244 L HN 0.059 nan 8.230 nan 0.000 0.442 245 I N -1.966 118.649 120.570 0.075 0.000 2.162 245 I HA 0.154 4.324 4.170 -0.000 0.000 0.238 245 I C -1.056 175.148 176.117 0.145 0.000 1.076 245 I CA -0.211 61.147 61.300 0.096 0.000 1.353 245 I CB -2.273 35.781 38.000 0.090 0.000 1.063 245 I HN 0.200 nan 8.210 nan 0.000 0.408 246 P HA 0.245 nan 4.420 nan 0.000 0.282 246 P C 0.304 177.743 177.300 0.232 0.000 1.286 246 P CA -0.278 62.955 63.100 0.222 0.000 0.777 246 P CB 0.377 32.122 31.700 0.075 0.000 1.184 247 L N -4.254 117.177 121.223 0.346 0.000 7.213 247 L HA -0.295 4.045 4.340 -0.000 0.000 0.061 247 L C 0.619 177.708 176.870 0.364 0.000 1.387 247 L CA 1.524 56.584 54.840 0.368 0.000 1.628 247 L CB -2.019 40.046 42.059 0.010 0.000 2.745 247 L HN 0.617 nan 8.230 nan 0.000 1.105 248 E N -3.393 116.939 120.200 0.220 0.000 6.038 248 E HA 0.042 4.392 4.350 -0.000 0.000 0.553 248 E C -0.680 175.997 176.600 0.128 0.000 1.417 248 E CA 0.176 56.670 56.400 0.157 0.000 3.049 248 E CB -0.396 29.381 29.700 0.127 0.000 0.783 248 E HN 1.422 nan 8.360 nan 0.000 0.263 249 V N 2.061 122.031 119.914 0.093 0.000 3.802 249 V HA -0.198 3.922 4.120 -0.000 0.000 0.508 249 V C -0.954 175.167 176.094 0.044 0.000 0.682 249 V CA 1.190 63.519 62.300 0.048 0.000 2.028 249 V CB -0.221 31.604 31.823 0.003 0.000 2.432 249 V HN 0.555 nan 8.190 nan 0.000 0.510 250 P HA -0.075 nan 4.420 nan 0.000 0.220 250 P C 1.481 178.699 177.300 -0.137 0.000 1.152 250 P CA 1.617 64.748 63.100 0.052 0.000 0.812 250 P CB 0.228 31.988 31.700 0.099 0.000 0.792 251 T N -1.134 113.298 114.554 -0.204 0.000 2.851 251 T HA 0.121 4.471 4.350 -0.000 0.000 0.262 251 T C 1.373 175.999 174.700 -0.123 0.000 1.043 251 T CA 1.593 63.557 62.100 -0.227 0.000 1.140 251 T CB -1.185 67.530 68.868 -0.256 0.000 0.872 251 T HN 0.281 nan 8.240 nan 0.000 0.446 252 G N 0.592 109.349 108.800 -0.072 0.000 2.273 252 G HA2 0.021 3.981 3.960 -0.000 0.000 0.280 252 G HA3 0.021 3.981 3.960 -0.000 0.000 0.280 252 G C 0.796 175.666 174.900 -0.049 0.000 1.047 252 G CA 0.677 45.755 45.100 -0.036 0.000 0.869 252 G HN 1.670 nan 8.290 nan 0.000 0.502 253 A N -2.346 120.423 122.820 -0.085 0.000 3.469 253 A HA 0.283 4.603 4.320 -0.000 0.000 0.244 253 A C 2.111 179.599 177.584 -0.159 0.000 1.181 253 A CA 1.669 53.647 52.037 -0.099 0.000 1.418 253 A CB -1.687 17.305 19.000 -0.014 0.000 1.060 253 A HN 2.614 nan 8.150 nan 0.000 0.897 254 S N -3.993 111.606 115.700 -0.168 0.000 1.975 254 S HA -0.172 4.298 4.470 -0.000 0.000 0.250 254 S C 0.972 175.489 174.600 -0.140 0.000 1.199 254 S CA 2.384 60.449 58.200 -0.225 0.000 1.263 254 S CB -1.716 61.264 63.200 -0.368 0.000 1.561 254 S HN 2.642 nan 8.310 nan 0.000 0.589 255 S N -0.020 115.634 115.700 -0.076 0.000 4.585 255 S HA 0.468 4.938 4.470 -0.000 0.000 0.155 255 S C -2.080 172.508 174.600 -0.020 0.000 0.954 255 S CA 0.802 58.984 58.200 -0.030 0.000 1.213 255 S CB -0.433 62.761 63.200 -0.009 0.000 1.901 255 S HN 0.274 nan 8.310 nan 0.000 0.805 256 P HA 0.212 nan 4.420 nan 0.000 0.221 256 P C 0.031 177.322 177.300 -0.015 0.000 1.155 256 P CA 1.263 64.356 63.100 -0.012 0.000 0.812 256 P CB 0.134 31.820 31.700 -0.024 0.000 0.801 257 T N -0.632 113.890 114.554 -0.053 0.000 3.331 257 T HA 0.107 4.457 4.350 -0.000 0.000 0.282 257 T C -0.436 174.227 174.700 -0.060 0.000 1.010 257 T CA -0.363 61.694 62.100 -0.072 0.000 0.928 257 T CB -0.538 68.237 68.868 -0.155 0.000 1.154 257 T HN 0.077 nan 8.240 nan 0.000 0.516 258 Q N 1.357 121.152 119.800 -0.008 0.000 2.417 258 Q HA -0.283 4.057 4.340 -0.000 0.000 0.368 258 Q C 0.918 176.922 176.000 0.007 0.000 1.359 258 Q CA 1.145 56.963 55.803 0.026 0.000 1.122 258 Q CB -1.538 27.239 28.738 0.066 0.000 1.295 258 Q HN 0.377 nan 8.270 nan 0.000 0.337 259 R N 1.458 121.954 120.500 -0.007 0.000 2.096 259 R HA -0.254 4.086 4.340 -0.000 0.000 0.161 259 R C 0.309 176.395 176.300 -0.356 0.000 0.862 259 R CA 3.428 59.532 56.100 0.008 0.000 1.853 259 R CB -1.953 28.441 30.300 0.157 0.000 0.810 259 R HN 1.459 nan 8.270 nan 0.000 0.653 260 D N -2.937 117.225 120.400 -0.396 0.000 3.068 260 D HA -0.194 4.446 4.640 -0.000 0.000 0.218 260 D C -0.813 174.949 176.300 -0.897 0.000 1.145 260 D CA 1.745 55.352 54.000 -0.655 0.000 0.896 260 D CB -2.035 38.279 40.800 -0.810 0.000 1.105 260 D HN 0.549 nan 8.370 nan 0.000 0.423 261 W N 1.009 122.311 121.300 0.003 0.000 2.529 261 W HA 0.600 5.260 4.660 -0.000 0.000 0.321 261 W C 1.159 177.677 176.519 -0.002 0.000 1.047 261 W CA -0.630 56.715 57.345 0.000 0.000 1.216 261 W CB 0.917 30.380 29.460 0.005 0.000 1.357 261 W HN -0.002 nan 8.180 nan 0.000 0.489 262 Q N 0.004 119.974 119.800 0.282 0.000 1.221 262 Q HA -0.273 4.067 4.340 -0.000 0.000 0.317 262 Q C 0.098 176.143 176.000 0.075 0.000 0.997 262 Q CA 1.430 57.325 55.803 0.154 0.000 0.719 262 Q CB -1.283 27.535 28.738 0.132 0.000 4.255 262 Q HN 0.832 nan 8.270 nan 0.000 0.500 263 E N 3.287 123.518 120.200 0.053 0.000 2.415 263 E HA 0.210 4.560 4.350 -0.000 0.000 0.263 263 E C -0.374 176.229 176.600 0.006 0.000 0.995 263 E CA 0.064 56.476 56.400 0.021 0.000 0.915 263 E CB 0.429 30.136 29.700 0.011 0.000 0.951 263 E HN 0.152 nan 8.360 nan 0.000 0.449 264 Q N 2.799 122.588 119.800 -0.017 0.000 2.316 264 Q HA 0.299 4.639 4.340 -0.000 0.000 0.264 264 Q C -0.250 175.724 176.000 -0.044 0.000 0.987 264 Q CA -0.922 54.861 55.803 -0.034 0.000 0.852 264 Q CB 2.003 30.703 28.738 -0.062 0.000 1.287 264 Q HN 0.711 nan 8.270 nan 0.000 0.448 265 L N 1.629 122.833 121.223 -0.032 0.000 2.439 265 L HA 0.285 4.625 4.340 -0.000 0.000 0.269 265 L C -0.257 176.582 176.870 -0.052 0.000 1.179 265 L CA -0.377 54.431 54.840 -0.053 0.000 0.828 265 L CB 0.923 42.962 42.059 -0.033 0.000 1.106 265 L HN 0.398 nan 8.230 nan 0.000 0.467 266 V N 7.027 126.871 119.914 -0.116 0.000 2.284 266 V HA 0.272 4.392 4.120 -0.000 0.000 0.260 266 V C 0.278 176.380 176.094 0.013 0.000 1.084 266 V CA -0.570 61.686 62.300 -0.074 0.000 0.894 266 V CB 0.492 32.097 31.823 -0.363 0.000 1.119 266 V HN 0.719 nan 8.190 nan 0.000 0.484 267 V N 4.660 124.736 119.914 0.269 0.000 3.388 267 V HA 0.237 4.357 4.120 -0.000 0.000 0.301 267 V C 1.356 176.967 176.094 -0.804 0.000 1.160 267 V CA 0.517 62.842 62.300 0.042 0.000 1.277 267 V CB 0.028 32.179 31.823 0.547 0.000 1.018 267 V HN 0.911 nan 8.190 nan 0.000 0.504 268 G N 0.794 109.085 108.800 -0.847 0.000 4.190 268 G HA2 0.507 4.467 3.960 -0.000 0.000 0.328 268 G HA3 0.507 4.467 3.960 -0.000 0.000 0.328 268 G C -0.329 174.043 174.900 -0.879 0.000 1.364 268 G CA -0.557 44.048 45.100 -0.825 0.000 1.259 268 G HN 0.999 nan 8.290 nan 0.000 0.525 269 H N -0.583 118.356 119.070 -0.217 0.000 2.525 269 H HA 0.379 4.935 4.556 -0.000 0.000 0.339 269 H C -0.123 175.260 175.328 0.091 0.000 1.109 269 H CA -1.196 54.665 56.048 -0.312 0.000 1.352 269 H CB 0.717 29.986 29.762 -0.821 0.000 1.461 269 H HN 0.121 nan 8.280 nan 0.000 0.533 270 N N 2.447 121.354 118.700 0.346 0.000 2.411 270 N HA 0.185 4.925 4.740 -0.000 0.000 0.259 270 N C 0.203 175.869 175.510 0.260 0.000 1.103 270 N CA 0.079 53.337 53.050 0.347 0.000 0.954 270 N CB 0.562 39.286 38.487 0.396 0.000 1.085 270 N HN 0.585 nan 8.380 nan 0.000 0.485 271 V N 0.786 120.794 119.914 0.156 0.000 0.690 271 V HA -0.434 3.686 4.120 -0.000 0.000 0.092 271 V C 0.822 176.976 176.094 0.101 0.000 0.787 271 V CA 1.538 63.901 62.300 0.105 0.000 3.100 271 V CB -1.551 30.337 31.823 0.107 0.000 0.193 271 V HN 0.714 nan 8.190 nan 0.000 0.096 272 S N 0.609 116.381 115.700 0.121 0.000 2.600 272 S HA 0.504 4.974 4.470 -0.000 0.000 0.265 272 S C -0.018 174.656 174.600 0.123 0.000 1.325 272 S CA 0.401 58.598 58.200 -0.005 0.000 1.002 272 S CB 0.180 63.460 63.200 0.133 0.000 0.921 272 S HN 0.890 nan 8.310 nan 0.000 0.554 273 F N -0.731 119.194 119.950 -0.043 0.000 2.953 273 F HA -0.201 4.326 4.527 -0.000 0.000 0.292 273 F C 0.615 176.451 175.800 0.060 0.000 0.747 273 F CA 0.473 58.441 58.000 -0.054 0.000 1.222 273 F CB -1.745 37.238 39.000 -0.027 0.000 1.457 273 F HN 0.490 nan 8.300 nan 0.000 0.383 274 D N -1.086 119.358 120.400 0.073 0.000 2.473 274 D HA 0.108 4.748 4.640 -0.000 0.000 0.230 274 D C 2.082 178.238 176.300 -0.240 0.000 1.097 274 D CA 0.587 54.612 54.000 0.042 0.000 0.861 274 D CB -0.124 40.727 40.800 0.085 0.000 1.114 274 D HN 0.397 nan 8.370 nan 0.000 0.500 275 R N 1.556 121.906 120.500 -0.249 0.000 2.088 275 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 275 R C 2.054 178.114 176.300 -0.400 0.000 1.136 275 R CA 1.931 57.809 56.100 -0.370 0.000 0.926 275 R CB -0.301 29.690 30.300 -0.515 0.000 0.837 275 R HN 0.018 nan 8.270 nan 0.000 0.429 276 A N 1.514 124.099 122.820 -0.391 0.000 1.870 276 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 276 A C 2.147 179.469 177.584 -0.437 0.000 1.224 276 A CA 2.053 53.886 52.037 -0.340 0.000 0.650 276 A CB -1.446 17.442 19.000 -0.188 0.000 0.836 276 A HN 0.642 nan 8.150 nan 0.000 0.454 277 H N -0.724 117.993 119.070 -0.588 0.000 2.265 277 H HA -0.142 4.414 4.556 -0.000 0.000 0.295 277 H C 2.290 177.032 175.328 -0.977 0.000 1.084 277 H CA 1.749 57.134 56.048 -1.104 0.000 1.261 277 H CB -0.493 28.052 29.762 -2.027 0.000 1.360 277 H HN 0.360 nan 8.280 nan 0.000 0.487 278 I N 1.284 121.399 120.570 -0.758 0.000 2.032 278 I HA -0.299 3.871 4.170 -0.000 0.000 0.231 278 I C 2.523 178.432 176.117 -0.347 0.000 1.035 278 I CA 1.234 62.308 61.300 -0.377 0.000 1.312 278 I CB -0.785 36.863 38.000 -0.587 0.000 1.041 278 I HN 0.222 nan 8.210 nan 0.000 0.390 279 R N 1.126 121.410 120.500 -0.361 0.000 2.198 279 R HA -0.228 4.112 4.340 -0.000 0.000 0.258 279 R C 1.831 178.093 176.300 -0.063 0.000 1.173 279 R CA 1.557 57.526 56.100 -0.218 0.000 0.991 279 R CB -1.121 28.996 30.300 -0.306 0.000 0.879 279 R HN 0.656 nan 8.270 nan 0.000 0.460 280 E N -0.333 119.849 120.200 -0.029 0.000 2.415 280 E HA -0.033 4.317 4.350 -0.000 0.000 0.197 280 E C 1.756 178.404 176.600 0.079 0.000 1.007 280 E CA 0.060 56.456 56.400 -0.007 0.000 0.890 280 E CB -0.010 29.656 29.700 -0.056 0.000 0.891 280 E HN 0.388 nan 8.360 nan 0.000 0.496 281 Q N 0.108 120.019 119.800 0.185 0.000 2.389 281 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 281 Q C 0.660 176.715 176.000 0.090 0.000 0.944 281 Q CA 0.824 56.719 55.803 0.153 0.000 0.908 281 Q CB 0.243 29.103 28.738 0.203 0.000 1.002 281 Q HN 0.292 nan 8.270 nan 0.000 0.493 282 Y N -0.421 119.879 120.300 0.001 0.000 2.457 282 Y HA 0.062 4.612 4.550 -0.000 0.000 0.263 282 Y C 1.479 177.391 175.900 0.020 0.000 1.164 282 Y CA -0.147 57.941 58.100 -0.020 0.000 1.274 282 Y CB 0.339 38.814 38.460 0.025 0.000 1.097 282 Y HN 0.196 nan 8.280 nan 0.000 0.523 283 L N -0.017 121.339 121.223 0.221 0.000 2.062 283 L HA -0.086 4.254 4.340 -0.000 0.000 0.202 283 L C 1.820 178.722 176.870 0.054 0.000 1.079 283 L CA 1.664 56.680 54.840 0.294 0.000 0.755 283 L CB -0.673 41.473 42.059 0.146 0.000 0.913 283 L HN 0.151 nan 8.230 nan 0.000 0.445 284 I N 0.432 121.004 120.570 0.003 0.000 2.194 284 I HA -0.219 3.951 4.170 -0.000 0.000 0.246 284 I C 1.021 177.055 176.117 -0.138 0.000 1.093 284 I CA 0.666 61.941 61.300 -0.042 0.000 1.355 284 I CB -0.950 37.028 38.000 -0.037 0.000 1.046 284 I HN 0.417 nan 8.210 nan 0.000 0.413 285 Q N 1.403 121.093 119.800 -0.184 0.000 2.416 285 Q HA -0.106 4.234 4.340 -0.000 0.000 0.353 285 Q C -0.189 175.675 176.000 -0.227 0.000 1.408 285 Q CA 0.998 56.632 55.803 -0.282 0.000 0.939 285 Q CB -1.225 27.219 28.738 -0.491 0.000 1.112 285 Q HN 0.752 nan 8.270 nan 0.000 0.321 286 G N 0.446 109.109 108.800 -0.227 0.000 2.649 286 G HA2 0.779 4.739 3.960 -0.000 0.000 0.290 286 G HA3 0.779 4.739 3.960 -0.000 0.000 0.290 286 G C -0.732 174.016 174.900 -0.253 0.000 1.426 286 G CA 0.690 45.672 45.100 -0.195 0.000 0.794 286 G HN 1.711 nan 8.290 nan 0.000 0.483 287 S N -1.461 114.092 115.700 -0.246 0.000 2.978 287 S HA -0.094 4.376 4.470 -0.000 0.000 0.855 287 S C -0.091 174.336 174.600 -0.289 0.000 0.951 287 S CA 0.225 58.263 58.200 -0.270 0.000 1.377 287 S CB -0.314 62.725 63.200 -0.269 0.000 0.983 287 S HN 1.127 nan 8.310 nan 0.000 0.235 288 R N 0.849 121.208 120.500 -0.236 0.000 2.515 288 R HA 0.408 4.748 4.340 -0.000 0.000 0.294 288 R C 0.647 176.830 176.300 -0.197 0.000 1.021 288 R CA -0.247 55.736 56.100 -0.195 0.000 1.081 288 R CB 0.247 30.473 30.300 -0.123 0.000 1.263 288 R HN 0.725 nan 8.270 nan 0.000 0.557 289 M N 1.075 120.512 119.600 -0.271 0.000 2.217 289 M HA 0.246 4.726 4.480 -0.000 0.000 0.354 289 M C -0.811 175.240 176.300 -0.415 0.000 1.225 289 M CA -0.198 54.912 55.300 -0.317 0.000 1.137 289 M CB 0.495 32.914 32.600 -0.302 0.000 1.576 289 M HN -0.055 nan 8.290 nan 0.000 0.461 290 R N 4.449 124.713 120.500 -0.394 0.000 2.532 290 R HA 0.380 4.720 4.340 -0.000 0.000 0.297 290 R C -1.257 174.811 176.300 -0.387 0.000 0.984 290 R CA -0.135 55.797 56.100 -0.281 0.000 0.884 290 R CB 1.028 31.334 30.300 0.010 0.000 1.182 290 R HN 0.586 nan 8.270 nan 0.000 0.442 291 F N 3.449 123.379 119.950 -0.034 0.000 2.640 291 F HA 0.251 4.778 4.527 -0.000 0.000 0.331 291 F C 0.170 176.037 175.800 0.111 0.000 1.200 291 F CA -0.776 56.973 58.000 -0.418 0.000 1.278 291 F CB 0.274 38.759 39.000 -0.858 0.000 1.571 291 F HN 0.201 nan 8.300 nan 0.000 0.576 292 L N 2.421 123.982 121.223 0.563 0.000 2.827 292 L HA -0.121 4.219 4.340 -0.000 0.000 0.280 292 L C 0.815 177.978 176.870 0.487 0.000 1.122 292 L CA 0.379 55.482 54.840 0.438 0.000 1.044 292 L CB -0.809 41.497 42.059 0.411 0.000 1.402 292 L HN 0.323 nan 8.230 nan 0.000 0.467 293 D N 1.830 122.438 120.400 0.347 0.000 2.548 293 D HA -0.114 4.526 4.640 -0.000 0.000 0.231 293 D C 1.356 177.740 176.300 0.140 0.000 1.142 293 D CA 0.786 54.937 54.000 0.252 0.000 0.866 293 D CB 1.092 41.966 40.800 0.123 0.000 1.190 293 D HN 0.671 nan 8.370 nan 0.000 0.469 294 T N 1.675 116.269 114.554 0.066 0.000 2.668 294 T HA -0.190 4.160 4.350 -0.000 0.000 0.262 294 T C 2.246 176.595 174.700 -0.585 0.000 1.045 294 T CA 1.070 62.902 62.100 -0.447 0.000 1.152 294 T CB -0.326 68.477 68.868 -0.107 0.000 0.864 294 T HN 0.490 nan 8.240 nan 0.000 0.419 295 M N 1.235 120.696 119.600 -0.231 0.000 2.108 295 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 295 M C 2.855 179.097 176.300 -0.098 0.000 1.066 295 M CA 1.620 56.839 55.300 -0.136 0.000 1.107 295 M CB -0.560 32.010 32.600 -0.051 0.000 1.356 295 M HN 0.470 nan 8.290 nan 0.000 0.406 296 S N 0.554 116.216 115.700 -0.063 0.000 2.414 296 S HA -0.323 4.147 4.470 -0.000 0.000 0.238 296 S C 1.872 176.461 174.600 -0.017 0.000 1.055 296 S CA 2.436 60.627 58.200 -0.014 0.000 1.174 296 S CB -0.363 62.862 63.200 0.040 0.000 1.087 296 S HN 0.505 nan 8.310 nan 0.000 0.428 297 M N 0.301 119.887 119.600 -0.023 0.000 2.108 297 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 297 M C 2.098 178.368 176.300 -0.051 0.000 1.066 297 M CA 1.966 57.289 55.300 0.038 0.000 1.107 297 M CB -0.378 32.366 32.600 0.240 0.000 1.356 297 M HN 0.485 nan 8.290 nan 0.000 0.406 298 H N -0.331 118.578 119.070 -0.268 0.000 2.256 298 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 298 H C 2.138 177.398 175.328 -0.114 0.000 1.062 298 H CA 2.237 58.162 56.048 -0.206 0.000 1.283 298 H CB -0.160 29.398 29.762 -0.340 0.000 1.379 298 H HN 0.389 nan 8.280 nan 0.000 0.493 299 M N 0.175 119.779 119.600 0.006 0.000 2.080 299 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 299 M C 2.740 179.004 176.300 -0.059 0.000 1.068 299 M CA 1.225 56.512 55.300 -0.021 0.000 1.109 299 M CB -0.855 31.734 32.600 -0.017 0.000 1.342 299 M HN 0.248 nan 8.290 nan 0.000 0.405 300 A N 1.028 123.815 122.820 -0.056 0.000 1.859 300 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 300 A C 2.200 179.743 177.584 -0.068 0.000 1.209 300 A CA 1.766 53.767 52.037 -0.060 0.000 0.639 300 A CB -1.090 17.892 19.000 -0.031 0.000 0.835 300 A HN 0.435 nan 8.150 nan 0.000 0.450 301 I N 0.413 120.944 120.570 -0.065 0.000 2.208 301 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 301 I C 2.777 178.844 176.117 -0.083 0.000 1.097 301 I CA 2.379 63.643 61.300 -0.061 0.000 1.363 301 I CB -0.443 37.520 38.000 -0.061 0.000 1.051 301 I HN 0.605 nan 8.210 nan 0.000 0.413 302 S N 0.019 115.652 115.700 -0.112 0.000 2.404 302 S HA 0.056 4.526 4.470 -0.000 0.000 0.223 302 S C 1.485 176.028 174.600 -0.096 0.000 1.040 302 S CA 0.329 58.465 58.200 -0.107 0.000 0.957 302 S CB -0.954 62.178 63.200 -0.114 0.000 0.826 302 S HN 0.489 nan 8.310 nan 0.000 0.491 303 G N 2.549 111.293 108.800 -0.093 0.000 2.903 303 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.332 303 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.332 303 G C -0.401 174.433 174.900 -0.109 0.000 0.190 303 G CA 0.420 45.458 45.100 -0.105 0.000 1.231 303 G HN 0.555 nan 8.290 nan 0.000 0.363 304 L N 1.808 122.981 121.223 -0.083 0.000 2.332 304 L HA 0.508 4.848 4.340 -0.000 0.000 0.269 304 L C 0.991 177.855 176.870 -0.009 0.000 1.016 304 L CA -0.888 53.924 54.840 -0.046 0.000 0.809 304 L CB 1.817 43.855 42.059 -0.034 0.000 1.280 304 L HN 0.552 nan 8.230 nan 0.000 0.447 305 S N -0.492 115.266 115.700 0.097 0.000 2.617 305 S HA 0.123 4.593 4.470 -0.000 0.000 0.269 305 S C 1.044 175.786 174.600 0.236 0.000 1.292 305 S CA -0.160 58.182 58.200 0.236 0.000 1.010 305 S CB 1.521 65.021 63.200 0.500 0.000 0.944 305 S HN 0.813 nan 8.310 nan 0.000 0.536 306 S N 3.683 119.529 115.700 0.242 0.000 2.456 306 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 306 S C 1.759 176.318 174.600 -0.069 0.000 1.046 306 S CA 2.193 60.275 58.200 -0.197 0.000 1.175 306 S CB -1.291 61.270 63.200 -1.064 0.000 1.129 306 S HN 0.787 nan 8.310 nan 0.000 0.420 307 F N 2.026 121.754 119.950 -0.370 0.000 2.065 307 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 307 F C 2.729 178.495 175.800 -0.056 0.000 1.112 307 F CA 0.941 58.829 58.000 -0.188 0.000 1.212 307 F CB -2.070 36.879 39.000 -0.084 0.000 0.975 307 F HN 0.288 nan 8.300 nan 0.000 0.476 308 Q N 0.791 120.604 119.800 0.021 0.000 1.991 308 Q HA -0.318 4.022 4.340 -0.000 0.000 0.213 308 Q C 2.552 178.708 176.000 0.261 0.000 1.022 308 Q CA 3.388 59.198 55.803 0.012 0.000 0.877 308 Q CB -0.271 28.532 28.738 0.108 0.000 0.970 308 Q HN 0.674 nan 8.270 nan 0.000 0.414 309 R N -0.066 120.595 120.500 0.269 0.000 2.073 309 R HA -0.126 4.213 4.340 -0.000 0.000 0.234 309 R C 2.329 178.753 176.300 0.207 0.000 1.134 309 R CA 1.897 58.162 56.100 0.275 0.000 0.952 309 R CB -0.883 29.504 30.300 0.146 0.000 0.850 309 R HN 0.285 nan 8.270 nan 0.000 0.433 310 S N 1.590 117.362 115.700 0.119 0.000 2.389 310 S HA -0.212 4.258 4.470 -0.000 0.000 0.231 310 S C 2.033 176.695 174.600 0.103 0.000 1.052 310 S CA 1.744 60.001 58.200 0.096 0.000 1.053 310 S CB -0.651 62.584 63.200 0.058 0.000 0.886 310 S HN 0.351 nan 8.310 nan 0.000 0.456 311 L N -0.900 120.372 121.223 0.082 0.000 2.068 311 L HA 0.171 4.511 4.340 -0.000 0.000 0.204 311 L C 2.662 179.566 176.870 0.057 0.000 1.076 311 L CA 1.194 56.047 54.840 0.021 0.000 0.753 311 L CB -0.796 41.211 42.059 -0.087 0.000 0.910 311 L HN 0.275 nan 8.230 nan 0.000 0.439 312 W N 0.923 122.244 121.300 0.034 0.000 2.301 312 W HA -0.331 4.329 4.660 -0.000 0.000 0.325 312 W C 2.636 179.186 176.519 0.051 0.000 1.250 312 W CA 1.631 59.003 57.345 0.046 0.000 1.261 312 W CB -0.316 29.168 29.460 0.040 0.000 1.157 312 W HN 0.258 nan 8.180 nan 0.000 0.473 313 I N 0.087 120.847 120.570 0.318 0.000 2.091 313 I HA -0.344 3.826 4.170 -0.000 0.000 0.240 313 I C 2.249 178.462 176.117 0.160 0.000 1.046 313 I CA 2.547 63.968 61.300 0.203 0.000 1.306 313 I CB -1.542 36.542 38.000 0.141 0.000 1.018 313 I HN -0.007 nan 8.210 nan 0.000 0.404 314 A N 1.138 124.033 122.820 0.124 0.000 1.870 314 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 314 A C 2.616 180.251 177.584 0.084 0.000 1.224 314 A CA 3.403 55.491 52.037 0.085 0.000 0.650 314 A CB -1.735 17.302 19.000 0.060 0.000 0.836 314 A HN 0.802 nan 8.150 nan 0.000 0.454 315 A N -0.680 122.194 122.820 0.091 0.000 1.908 315 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 315 A C 2.104 179.763 177.584 0.126 0.000 1.181 315 A CA 2.134 54.221 52.037 0.083 0.000 0.627 315 A CB -0.501 18.536 19.000 0.061 0.000 0.818 315 A HN 0.615 nan 8.150 nan 0.000 0.445 316 K N -0.853 119.669 120.400 0.202 0.000 2.002 316 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 316 K C 1.710 178.376 176.600 0.109 0.000 1.048 316 K CA 1.375 57.774 56.287 0.188 0.000 0.930 316 K CB -0.065 32.580 32.500 0.241 0.000 0.714 316 K HN 0.362 nan 8.250 nan 0.000 0.438 317 Q N 0.160 120.026 119.800 0.109 0.000 2.211 317 Q HA 0.183 4.523 4.340 -0.000 0.000 0.231 317 Q C -0.402 175.636 176.000 0.063 0.000 0.865 317 Q CA -0.066 55.793 55.803 0.093 0.000 0.997 317 Q CB 1.089 29.894 28.738 0.112 0.000 1.101 317 Q HN 0.410 nan 8.270 nan 0.000 0.468 346 D N 1.564 122.172 120.400 0.347 0.000 2.403 346 D HA 0.444 5.084 4.640 -0.000 0.000 0.278 346 D C 0.314 177.112 176.300 0.829 0.000 1.230 346 D CA 0.685 54.915 54.000 0.384 0.000 1.062 346 D CB 0.522 41.414 40.800 0.155 0.000 1.119 346 D HN 0.352 nan 8.370 nan 0.000 0.557 347 W N -0.647 120.839 121.300 0.310 0.000 3.205 347 W HA 0.538 5.198 4.660 -0.000 0.000 0.336 347 W C -1.713 174.344 176.519 -0.770 0.000 1.171 347 W CA -1.044 56.343 57.345 0.071 0.000 1.035 347 W CB 0.452 29.963 29.460 0.086 0.000 1.500 347 W HN 0.089 nan 8.180 nan 0.000 0.602 348 L N 3.863 124.955 121.223 -0.219 0.000 2.371 348 L HA 0.377 4.717 4.340 -0.000 0.000 0.262 348 L C -1.332 175.471 176.870 -0.112 0.000 1.054 348 L CA -0.070 54.434 54.840 -0.561 0.000 0.924 348 L CB -0.157 41.578 42.059 -0.541 0.000 1.295 348 L HN 0.538 nan 8.230 nan 0.000 0.441 349 D N 5.171 125.570 120.400 -0.001 0.000 2.736 349 D HA 0.232 4.872 4.640 -0.000 0.000 0.293 349 D C 0.550 176.824 176.300 -0.044 0.000 1.241 349 D CA -0.380 53.637 54.000 0.028 0.000 0.965 349 D CB 0.398 41.304 40.800 0.176 0.000 0.992 349 D HN 0.355 nan 8.370 nan 0.000 0.510 350 I N 0.980 121.513 120.570 -0.061 0.000 3.658 350 I HA -0.237 3.933 4.170 -0.000 0.000 0.291 350 I C 0.982 177.103 176.117 0.007 0.000 1.186 350 I CA 0.857 62.147 61.300 -0.017 0.000 1.783 350 I CB -0.880 37.170 38.000 0.084 0.000 1.387 350 I HN 0.037 nan 8.210 nan 0.000 0.528 351 S N 2.322 118.003 115.700 -0.031 0.000 2.574 351 S HA 0.173 4.643 4.470 -0.000 0.000 0.242 351 S C 0.898 175.497 174.600 -0.001 0.000 0.982 351 S CA -0.339 57.852 58.200 -0.015 0.000 0.977 351 S CB 0.113 63.277 63.200 -0.059 0.000 0.814 351 S HN 0.678 nan 8.310 nan 0.000 0.464 352 S N 1.752 117.457 115.700 0.010 0.000 2.572 352 S HA 0.149 4.619 4.470 -0.000 0.000 0.262 352 S C 0.835 175.450 174.600 0.024 0.000 1.375 352 S CA -0.078 58.139 58.200 0.029 0.000 0.996 352 S CB 0.402 63.632 63.200 0.051 0.000 0.892 352 S HN 0.460 nan 8.310 nan 0.000 0.562 353 V N 1.894 121.822 119.914 0.023 0.000 3.489 353 V HA 0.361 4.481 4.120 -0.000 0.000 0.297 353 V C 0.373 176.459 176.094 -0.014 0.000 1.071 353 V CA -0.298 62.009 62.300 0.011 0.000 1.074 353 V CB -0.147 31.691 31.823 0.026 0.000 1.188 353 V HN 0.999 nan 8.190 nan 0.000 0.458 354 N N 0.843 119.533 118.700 -0.017 0.000 2.710 354 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 354 N C 0.719 176.191 175.510 -0.064 0.000 1.059 354 N CA 2.001 55.032 53.050 -0.032 0.000 0.720 354 N CB -1.583 36.894 38.487 -0.017 0.000 0.983 354 N HN 2.017 nan 8.380 nan 0.000 0.544 355 S N -4.366 111.271 115.700 -0.106 0.000 3.127 355 S HA -0.302 4.168 4.470 -0.000 0.000 0.281 355 S C 0.605 175.121 174.600 -0.139 0.000 1.293 355 S CA 1.428 59.534 58.200 -0.156 0.000 1.156 355 S CB -1.737 61.395 63.200 -0.114 0.000 1.389 355 S HN 0.462 nan 8.310 nan 0.000 0.672 356 L N -0.897 120.252 121.223 -0.123 0.000 2.685 356 L HA 0.606 4.946 4.340 -0.000 0.000 0.235 356 L C 2.379 179.136 176.870 -0.188 0.000 1.070 356 L CA 0.752 55.511 54.840 -0.135 0.000 0.888 356 L CB -0.130 41.857 42.059 -0.120 0.000 1.203 356 L HN 0.442 nan 8.230 nan 0.000 0.499 357 A N -1.013 121.709 122.820 -0.165 0.000 2.259 357 A HA 0.101 4.421 4.320 -0.000 0.000 0.213 357 A C 1.611 179.178 177.584 -0.027 0.000 1.209 357 A CA -0.047 51.874 52.037 -0.195 0.000 0.910 357 A CB 0.178 19.096 19.000 -0.137 0.000 0.946 357 A HN 0.137 nan 8.150 nan 0.000 0.497 358 E N 0.507 120.700 120.200 -0.013 0.000 2.515 358 E HA -0.066 4.284 4.350 -0.000 0.000 0.201 358 E C 1.442 178.159 176.600 0.195 0.000 1.071 358 E CA 0.830 57.297 56.400 0.112 0.000 0.880 358 E CB -0.080 29.758 29.700 0.230 0.000 0.828 358 E HN 0.461 nan 8.360 nan 0.000 0.540 359 V N 0.399 120.373 119.914 0.100 0.000 2.825 359 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 359 V C 2.030 178.237 176.094 0.189 0.000 1.068 359 V CA 0.631 63.027 62.300 0.161 0.000 1.088 359 V CB -0.482 31.407 31.823 0.111 0.000 0.733 359 V HN 0.230 nan 8.190 nan 0.000 0.468 360 H N 1.041 120.150 119.070 0.065 0.000 2.325 360 H HA -0.243 4.313 4.556 -0.000 0.000 0.293 360 H C 2.461 177.808 175.328 0.032 0.000 1.106 360 H CA 2.521 58.591 56.048 0.036 0.000 1.247 360 H CB -0.189 29.580 29.762 0.010 0.000 1.359 360 H HN 0.331 nan 8.280 nan 0.000 0.488 361 R N 0.190 120.798 120.500 0.180 0.000 2.132 361 R HA -0.196 4.144 4.340 -0.000 0.000 0.233 361 R C 2.319 178.647 176.300 0.047 0.000 1.125 361 R CA 2.448 58.597 56.100 0.082 0.000 0.914 361 R CB -0.249 30.082 30.300 0.052 0.000 0.845 361 R HN 0.219 nan 8.270 nan 0.000 0.431 362 L N -1.935 119.342 121.223 0.090 0.000 2.307 362 L HA 0.042 4.382 4.340 -0.000 0.000 0.211 362 L C 1.996 178.956 176.870 0.150 0.000 1.099 362 L CA 0.743 55.609 54.840 0.042 0.000 0.816 362 L CB -0.309 41.748 42.059 -0.003 0.000 0.952 362 L HN 0.247 nan 8.230 nan 0.000 0.455 363 Y N -1.046 119.291 120.300 0.062 0.000 2.576 363 Y HA 0.195 4.745 4.550 -0.000 0.000 0.282 363 Y C 1.505 177.439 175.900 0.055 0.000 1.139 363 Y CA 0.637 58.777 58.100 0.066 0.000 1.265 363 Y CB 0.955 39.462 38.460 0.077 0.000 1.376 363 Y HN -0.228 nan 8.280 nan 0.000 0.511 364 V N -0.615 119.363 119.914 0.107 0.000 2.664 364 V HA -0.195 3.925 4.120 -0.000 0.000 0.157 364 V C 0.177 176.277 176.094 0.009 0.000 1.135 364 V CA 0.816 63.133 62.300 0.028 0.000 1.675 364 V CB -2.143 29.639 31.823 -0.069 0.000 1.387 364 V HN 0.754 nan 8.190 nan 0.000 1.090 365 G N -1.773 107.045 108.800 0.030 0.000 2.719 365 G HA2 0.656 4.616 3.960 -0.000 0.000 0.298 365 G HA3 0.656 4.616 3.960 -0.000 0.000 0.298 365 G C 0.685 175.708 174.900 0.206 0.000 1.433 365 G CA 0.518 45.658 45.100 0.067 0.000 1.034 365 G HN 1.623 nan 8.290 nan 0.000 0.517 366 G N 2.995 111.872 108.800 0.128 0.000 2.168 366 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.263 366 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.263 366 G C -0.239 174.710 174.900 0.082 0.000 0.977 366 G CA 0.697 45.858 45.100 0.103 0.000 0.659 366 G HN 0.803 nan 8.290 nan 0.000 0.533 367 P HA 0.149 nan 4.420 nan 0.000 0.222 367 P C -2.445 174.847 177.300 -0.013 0.000 1.153 367 P CA 1.276 64.395 63.100 0.031 0.000 0.798 367 P CB 0.021 31.747 31.700 0.043 0.000 0.796 368 P HA 0.383 nan 4.420 nan 0.000 0.336 368 P C -1.317 175.988 177.300 0.007 0.000 1.586 368 P CA -0.640 62.447 63.100 -0.022 0.000 1.337 368 P CB 2.499 34.158 31.700 -0.068 0.000 1.853 369 L N 2.210 123.439 121.223 0.010 0.000 2.366 369 L HA 0.370 4.710 4.340 -0.000 0.000 0.266 369 L C 0.427 177.312 176.870 0.025 0.000 1.010 369 L CA -0.480 54.361 54.840 0.002 0.000 0.879 369 L CB 1.108 43.162 42.059 -0.009 0.000 1.228 369 L HN 0.253 nan 8.230 nan 0.000 0.439 370 E N 5.562 125.779 120.200 0.028 0.000 2.463 370 E HA 0.055 4.405 4.350 -0.000 0.000 0.248 370 E C -0.067 176.577 176.600 0.074 0.000 1.106 370 E CA 0.487 56.927 56.400 0.067 0.000 0.946 370 E CB 0.308 30.027 29.700 0.031 0.000 0.971 370 E HN 0.281 nan 8.360 nan 0.000 0.478 371 K N 2.103 122.566 120.400 0.105 0.000 4.614 371 K HA -0.198 4.122 4.320 -0.000 0.000 0.897 371 K C 0.183 176.792 176.600 0.015 0.000 2.051 371 K CA 0.808 57.127 56.287 0.053 0.000 1.338 371 K CB -0.452 32.073 32.500 0.041 0.000 2.519 371 K HN 0.645 nan 8.250 nan 0.000 0.241 372 E N -3.626 116.570 120.200 -0.006 0.000 4.549 372 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 372 E C -1.889 174.713 176.600 0.003 0.000 0.844 372 E CA 1.781 58.174 56.400 -0.011 0.000 2.448 372 E CB -1.985 27.705 29.700 -0.016 0.000 1.641 372 E HN 0.455 nan 8.360 nan 0.000 0.584 373 P HA 0.174 nan 4.420 nan 0.000 0.267 373 P C 1.080 178.451 177.300 0.118 0.000 1.289 373 P CA 0.686 63.815 63.100 0.048 0.000 0.866 373 P CB 0.179 31.905 31.700 0.043 0.000 1.309 374 R N 0.051 120.584 120.500 0.056 0.000 2.023 374 R HA 0.070 4.410 4.340 -0.000 0.000 0.217 374 R C 2.068 178.375 176.300 0.012 0.000 1.255 374 R CA 0.512 56.618 56.100 0.011 0.000 0.981 374 R CB -1.216 29.043 30.300 -0.069 0.000 0.853 374 R HN -0.065 nan 8.270 nan 0.000 0.463 375 E N 1.424 121.613 120.200 -0.019 0.000 2.070 375 E HA -0.211 4.138 4.350 -0.000 0.000 0.197 375 E C 1.914 178.515 176.600 0.002 0.000 1.004 375 E CA 1.099 57.483 56.400 -0.026 0.000 0.805 375 E CB -0.311 29.366 29.700 -0.037 0.000 0.744 375 E HN 0.185 nan 8.360 nan 0.000 0.451 376 L N -0.084 121.149 121.223 0.016 0.000 1.997 376 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 376 L C 2.009 178.931 176.870 0.086 0.000 1.074 376 L CA 1.814 56.666 54.840 0.019 0.000 0.763 376 L CB -0.885 41.176 42.059 0.004 0.000 0.890 376 L HN 0.320 nan 8.230 nan 0.000 0.434 377 F N -0.776 119.128 119.950 -0.076 0.000 2.795 377 F HA 0.289 4.816 4.527 -0.000 0.000 0.303 377 F C 1.044 176.791 175.800 -0.089 0.000 1.186 377 F CA 0.480 58.431 58.000 -0.080 0.000 1.415 377 F CB -0.372 38.584 39.000 -0.073 0.000 1.106 377 F HN 0.009 nan 8.300 nan 0.000 0.558 378 V N 0.315 120.257 119.914 0.047 0.000 5.308 378 V HA 0.137 4.257 4.120 -0.000 0.000 0.871 378 V C -0.254 175.806 176.094 -0.056 0.000 2.476 378 V CA -0.545 61.716 62.300 -0.064 0.000 4.097 378 V CB -0.724 31.012 31.823 -0.144 0.000 0.799 378 V HN 0.005 nan 8.190 nan 0.000 0.647 379 K N 1.332 121.709 120.400 -0.039 0.000 2.264 379 K HA 0.902 5.222 4.320 -0.000 0.000 0.277 379 K C 0.342 176.912 176.600 -0.050 0.000 1.067 379 K CA -0.234 56.026 56.287 -0.046 0.000 0.900 379 K CB 1.307 33.776 32.500 -0.053 0.000 1.124 379 K HN 1.663 nan 8.250 nan 0.000 0.469 380 G N 0.079 108.852 108.800 -0.044 0.000 2.250 380 G HA2 0.154 4.114 3.960 -0.000 0.000 0.196 380 G HA3 0.154 4.114 3.960 -0.000 0.000 0.196 380 G C -0.090 174.787 174.900 -0.039 0.000 1.308 380 G CA -0.046 45.029 45.100 -0.041 0.000 1.207 380 G HN 0.988 nan 8.290 nan 0.000 0.505 381 T N -1.829 112.695 114.554 -0.050 0.000 0.541 381 T HA -0.185 4.165 4.350 -0.000 0.000 0.774 381 T C 1.106 175.813 174.700 0.011 0.000 0.992 381 T CA 2.703 64.779 62.100 -0.039 0.000 4.077 381 T CB -0.850 67.977 68.868 -0.069 0.000 2.303 381 T HN 1.429 nan 8.240 nan 0.000 0.398 382 M N -0.696 118.920 119.600 0.027 0.000 1.873 382 M HA 0.175 4.655 4.480 -0.000 0.000 0.175 382 M C 1.988 178.301 176.300 0.021 0.000 1.745 382 M CA -0.281 55.044 55.300 0.043 0.000 0.885 382 M CB -0.240 32.406 32.600 0.076 0.000 1.557 382 M HN 0.484 nan 8.290 nan 0.000 0.613 383 K N 1.396 121.813 120.400 0.028 0.000 2.032 383 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 383 K C 1.153 177.714 176.600 -0.066 0.000 1.048 383 K CA 2.045 58.330 56.287 -0.004 0.000 0.927 383 K CB -0.994 31.523 32.500 0.027 0.000 0.712 383 K HN 0.541 nan 8.250 nan 0.000 0.441 384 D N 0.752 121.107 120.400 -0.075 0.000 2.271 384 D HA -0.025 4.615 4.640 -0.000 0.000 0.206 384 D C 2.075 178.271 176.300 -0.174 0.000 0.967 384 D CA 0.065 53.985 54.000 -0.133 0.000 0.867 384 D CB -0.558 40.167 40.800 -0.126 0.000 0.960 384 D HN 0.139 nan 8.370 nan 0.000 0.509 385 I N 1.674 122.170 120.570 -0.124 0.000 2.248 385 I HA -0.359 3.811 4.170 -0.000 0.000 0.248 385 I C 2.481 178.497 176.117 -0.168 0.000 1.107 385 I CA 1.390 62.626 61.300 -0.107 0.000 1.373 385 I CB 0.094 38.073 38.000 -0.035 0.000 1.055 385 I HN -0.034 nan 8.210 nan 0.000 0.418 386 R N 0.328 120.689 120.500 -0.232 0.000 2.088 386 R HA -0.245 4.095 4.340 -0.000 0.000 0.232 386 R C 2.119 177.538 176.300 -1.468 0.000 1.136 386 R CA 1.811 57.520 56.100 -0.651 0.000 0.926 386 R CB -0.949 29.159 30.300 -0.320 0.000 0.837 386 R HN 0.198 nan 8.270 nan 0.000 0.429 387 E N 0.947 120.662 120.200 -0.809 0.000 2.209 387 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 387 E C 1.251 177.534 176.600 -0.527 0.000 0.993 387 E CA 1.472 57.474 56.400 -0.663 0.000 0.819 387 E CB -0.166 29.326 29.700 -0.346 0.000 0.745 387 E HN 0.387 nan 8.360 nan 0.000 0.477 388 N N -0.365 118.084 118.700 -0.419 0.000 2.459 388 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 388 N C 1.198 176.618 175.510 -0.149 0.000 1.046 388 N CA 1.010 53.904 53.050 -0.260 0.000 0.904 388 N CB -0.346 38.014 38.487 -0.211 0.000 0.964 388 N HN 0.397 nan 8.380 nan 0.000 0.444 389 F N 1.404 121.296 119.950 -0.096 0.000 2.259 389 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 389 F C 1.963 177.742 175.800 -0.036 0.000 1.088 389 F CA 0.374 58.318 58.000 -0.093 0.000 1.358 389 F CB -1.350 37.555 39.000 -0.159 0.000 1.040 389 F HN 0.071 nan 8.300 nan 0.000 0.505 390 Q N 0.102 120.272 119.800 0.617 0.000 2.291 390 Q HA -0.058 4.282 4.340 -0.000 0.000 0.205 390 Q C 0.458 176.605 176.000 0.244 0.000 0.970 390 Q CA 1.868 58.003 55.803 0.553 0.000 0.876 390 Q CB -0.347 28.649 28.738 0.431 0.000 0.935 390 Q HN 0.465 nan 8.270 nan 0.000 0.455 391 D N -0.173 120.274 120.400 0.079 0.000 3.051 391 D HA 0.128 4.768 4.640 -0.000 0.000 0.216 391 D C 1.311 177.624 176.300 0.023 0.000 1.454 391 D CA -0.190 53.838 54.000 0.046 0.000 1.400 391 D CB -0.493 40.216 40.800 -0.151 0.000 0.975 391 D HN 0.066 nan 8.370 nan 0.000 0.212 392 L N 0.886 121.784 121.223 -0.543 0.000 2.232 392 L HA -0.295 4.045 4.340 -0.000 0.000 0.219 392 L C 1.865 178.617 176.870 -0.197 0.000 1.086 392 L CA 1.218 55.517 54.840 -0.901 0.000 0.789 392 L CB -0.120 41.638 42.059 -0.501 0.000 0.890 392 L HN 0.231 nan 8.230 nan 0.000 0.441 393 M N -1.338 118.310 119.600 0.080 0.000 2.156 393 M HA -0.219 4.261 4.480 -0.000 0.000 0.264 393 M C 2.090 178.578 176.300 0.313 0.000 1.067 393 M CA 1.517 56.947 55.300 0.217 0.000 1.131 393 M CB -1.660 31.099 32.600 0.264 0.000 1.368 393 M HN 0.412 nan 8.290 nan 0.000 0.416 394 Q N 0.346 120.406 119.800 0.433 0.000 2.197 394 Q HA -0.214 4.125 4.340 -0.000 0.000 0.207 394 Q C 1.865 177.988 176.000 0.206 0.000 0.984 394 Q CA 1.740 57.749 55.803 0.345 0.000 0.869 394 Q CB -0.208 28.774 28.738 0.408 0.000 0.906 394 Q HN 0.493 nan 8.270 nan 0.000 0.426 395 Y N 0.431 120.746 120.300 0.025 0.000 2.036 395 Y HA -0.292 4.258 4.550 -0.000 0.000 0.273 395 Y C 2.937 178.785 175.900 -0.087 0.000 1.135 395 Y CA 0.966 59.054 58.100 -0.021 0.000 1.106 395 Y CB -1.588 36.867 38.460 -0.009 0.000 0.976 395 Y HN 0.287 nan 8.280 nan 0.000 0.483 396 C N 0.255 119.626 119.300 0.117 0.000 2.336 396 C HA -0.345 4.115 4.460 -0.000 0.000 0.278 396 C C 3.081 177.954 174.990 -0.194 0.000 1.172 396 C CA 2.257 61.254 59.018 -0.034 0.000 1.779 396 C CB -1.524 26.204 27.740 -0.021 0.000 1.986 396 C HN 0.683 nan 8.230 nan 0.000 0.430 397 A N -0.925 121.729 122.820 -0.277 0.000 1.881 397 A HA -0.364 3.956 4.320 -0.000 0.000 0.219 397 A C 2.067 179.119 177.584 -0.887 0.000 1.215 397 A CA 2.649 54.293 52.037 -0.655 0.000 0.648 397 A CB -1.223 17.358 19.000 -0.698 0.000 0.832 397 A HN 0.864 nan 8.150 nan 0.000 0.455 398 Q N -1.379 118.102 119.800 -0.532 0.000 2.020 398 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 398 Q C 1.934 177.793 176.000 -0.234 0.000 0.982 398 Q CA 1.851 57.433 55.803 -0.368 0.000 0.838 398 Q CB -0.191 28.457 28.738 -0.150 0.000 0.899 398 Q HN 0.677 nan 8.270 nan 0.000 0.423 399 D N -0.838 119.453 120.400 -0.182 0.000 2.117 399 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 399 D C 1.719 177.912 176.300 -0.178 0.000 0.987 399 D CA 0.780 54.704 54.000 -0.127 0.000 0.829 399 D CB -0.027 40.724 40.800 -0.082 0.000 0.961 399 D HN 0.091 nan 8.370 nan 0.000 0.460 400 V N 0.141 119.892 119.914 -0.271 0.000 2.636 400 V HA -0.224 3.896 4.120 -0.000 0.000 0.258 400 V C 1.862 177.714 176.094 -0.404 0.000 1.092 400 V CA 1.242 63.351 62.300 -0.319 0.000 1.110 400 V CB -0.421 31.210 31.823 -0.320 0.000 0.685 400 V HN 0.381 nan 8.190 nan 0.000 0.481 401 W N -0.917 120.198 121.300 -0.308 0.000 2.683 401 W HA 0.326 4.986 4.660 -0.000 0.000 0.267 401 W C 2.531 178.910 176.519 -0.235 0.000 1.243 401 W CA 0.244 57.448 57.345 -0.234 0.000 1.380 401 W CB -1.150 28.289 29.460 -0.036 0.000 1.063 401 W HN 0.263 nan 8.180 nan 0.000 0.599 402 A N 0.924 123.760 122.820 0.027 0.000 1.873 402 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 402 A C 2.128 179.626 177.584 -0.143 0.000 1.193 402 A CA 3.434 55.427 52.037 -0.074 0.000 0.629 402 A CB -1.500 17.451 19.000 -0.082 0.000 0.826 402 A HN 0.252 nan 8.150 nan 0.000 0.447 403 T N -1.526 112.929 114.554 -0.165 0.000 2.699 403 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 403 T C 1.845 176.507 174.700 -0.063 0.000 1.036 403 T CA 2.096 64.109 62.100 -0.145 0.000 1.147 403 T CB -0.707 68.056 68.868 -0.176 0.000 0.862 403 T HN 0.609 nan 8.240 nan 0.000 0.446 404 H N 1.862 120.954 119.070 0.036 0.000 2.267 404 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 404 H C 2.530 177.625 175.328 -0.389 0.000 1.080 404 H CA 1.919 57.873 56.048 -0.157 0.000 1.278 404 H CB -0.550 29.138 29.762 -0.125 0.000 1.365 404 H HN 0.573 nan 8.280 nan 0.000 0.489 405 E N 0.831 120.954 120.200 -0.128 0.000 2.007 405 E HA -0.167 4.183 4.350 -0.000 0.000 0.203 405 E C 2.508 179.002 176.600 -0.176 0.000 1.020 405 E CA 1.377 57.664 56.400 -0.188 0.000 0.845 405 E CB -1.342 28.258 29.700 -0.167 0.000 0.779 405 E HN 0.375 nan 8.360 nan 0.000 0.466 406 V N 1.968 121.759 119.914 -0.205 0.000 2.233 406 V HA -0.358 3.762 4.120 -0.000 0.000 0.256 406 V C 2.291 178.463 176.094 0.131 0.000 1.069 406 V CA 3.215 65.426 62.300 -0.150 0.000 1.054 406 V CB -0.961 30.739 31.823 -0.206 0.000 0.664 406 V HN 0.292 nan 8.190 nan 0.000 0.453 407 F N 1.736 121.732 119.950 0.077 0.000 2.014 407 F HA -0.061 4.466 4.527 -0.000 0.000 0.295 407 F C 2.417 178.365 175.800 0.246 0.000 1.145 407 F CA 2.287 60.469 58.000 0.304 0.000 1.178 407 F CB -1.585 37.425 39.000 0.016 0.000 0.972 407 F HN 0.395 nan 8.300 nan 0.000 0.476 408 Q N 0.065 119.303 119.800 -0.936 0.000 1.935 408 Q HA -0.298 4.042 4.340 -0.000 0.000 0.212 408 Q C 2.414 178.313 176.000 -0.168 0.000 1.008 408 Q CA 2.798 58.143 55.803 -0.764 0.000 0.868 408 Q CB -0.426 27.788 28.738 -0.872 0.000 0.946 408 Q HN 0.686 nan 8.270 nan 0.000 0.418 409 Q N -0.716 119.000 119.800 -0.140 0.000 2.112 409 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 409 Q C 2.235 178.293 176.000 0.096 0.000 0.987 409 Q CA 1.303 57.086 55.803 -0.034 0.000 0.858 409 Q CB -0.060 28.651 28.738 -0.046 0.000 0.905 409 Q HN 0.400 nan 8.270 nan 0.000 0.420 410 Q N 0.412 120.326 119.800 0.191 0.000 1.965 410 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 410 Q C 2.146 178.492 176.000 0.576 0.000 0.981 410 Q CA 1.105 57.160 55.803 0.419 0.000 0.834 410 Q CB -0.492 28.479 28.738 0.387 0.000 0.900 410 Q HN 0.414 nan 8.270 nan 0.000 0.426 411 L N -0.127 121.343 121.223 0.412 0.000 2.633 411 L HA 0.051 4.391 4.340 -0.000 0.000 0.235 411 L C -1.054 175.995 176.870 0.298 0.000 1.163 411 L CA 0.840 55.909 54.840 0.383 0.000 0.859 411 L CB -2.400 39.782 42.059 0.205 0.000 0.973 411 L HN 0.073 nan 8.230 nan 0.000 0.451 412 P HA -0.165 nan 4.420 nan 0.000 0.215 412 P C 1.819 179.182 177.300 0.105 0.000 1.157 412 P CA 1.553 64.735 63.100 0.136 0.000 0.859 412 P CB 0.177 31.916 31.700 0.065 0.000 0.786 413 L N -2.023 119.226 121.223 0.043 0.000 2.044 413 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 413 L C 2.781 179.638 176.870 -0.022 0.000 1.075 413 L CA 1.339 56.142 54.840 -0.062 0.000 0.747 413 L CB -1.482 40.436 42.059 -0.235 0.000 0.903 413 L HN -0.201 nan 8.230 nan 0.000 0.435 414 F N -0.333 119.636 119.950 0.031 0.000 2.451 414 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 414 F C 2.158 177.971 175.800 0.021 0.000 1.101 414 F CA 0.726 58.741 58.000 0.025 0.000 1.436 414 F CB -0.409 38.604 39.000 0.022 0.000 1.074 414 F HN -0.020 nan 8.300 nan 0.000 0.553 415 L N 0.175 121.529 121.223 0.219 0.000 2.049 415 L HA -0.077 4.263 4.340 -0.000 0.000 0.203 415 L C 1.737 178.668 176.870 0.101 0.000 1.074 415 L CA 1.513 56.437 54.840 0.140 0.000 0.749 415 L CB -0.439 41.706 42.059 0.143 0.000 0.907 415 L HN 0.019 nan 8.230 nan 0.000 0.439 416 E N -0.987 119.263 120.200 0.084 0.000 2.438 416 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 416 E C 0.982 177.609 176.600 0.045 0.000 1.110 416 E CA -0.093 56.342 56.400 0.058 0.000 0.893 416 E CB -0.077 29.647 29.700 0.041 0.000 0.990 416 E HN 0.051 nan 8.360 nan 0.000 0.490 417 R N 0.151 120.690 120.500 0.066 0.000 2.346 417 R HA 0.109 4.449 4.340 -0.000 0.000 0.225 417 R C -0.608 175.725 176.300 0.055 0.000 0.987 417 R CA 0.037 56.174 56.100 0.061 0.000 1.106 417 R CB -0.463 29.901 30.300 0.107 0.000 1.090 417 R HN 0.181 nan 8.270 nan 0.000 0.502 418 C N -0.297 119.035 119.300 0.053 0.000 3.208 418 C HA 0.275 4.735 4.460 -0.000 0.000 0.250 418 C C -2.456 172.567 174.990 0.055 0.000 2.195 418 C CA -1.482 57.568 59.018 0.054 0.000 1.303 418 C CB 0.487 28.265 27.740 0.064 0.000 2.376 418 C HN 0.205 nan 8.230 nan 0.000 0.545 419 P HA -0.169 nan 4.420 nan 0.000 0.075 419 P C -0.133 177.077 177.300 -0.149 0.000 0.607 419 P CA 1.785 64.853 63.100 -0.053 0.000 1.085 419 P CB -0.536 31.112 31.700 -0.086 0.000 1.717 420 H N 2.128 121.209 119.070 0.019 0.000 2.961 420 H HA 0.310 4.866 4.556 -0.000 0.000 0.371 420 H C -1.989 173.331 175.328 -0.013 0.000 1.190 420 H CA -1.819 54.234 56.048 0.009 0.000 1.138 420 H CB 2.525 32.287 29.762 0.000 0.000 1.816 420 H HN 0.032 nan 8.280 nan 0.000 0.551 421 P HA 0.033 nan 4.420 nan 0.000 0.219 421 P C 1.127 178.446 177.300 0.032 0.000 1.129 421 P CA 0.354 63.527 63.100 0.122 0.000 0.910 421 P CB 1.337 33.106 31.700 0.116 0.000 0.853 422 V N 0.829 120.763 119.914 0.033 0.000 2.358 422 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 422 V C 2.646 178.522 176.094 -0.364 0.000 1.047 422 V CA 2.617 64.819 62.300 -0.163 0.000 1.035 422 V CB -1.832 29.843 31.823 -0.248 0.000 0.658 422 V HN 0.162 nan 8.190 nan 0.000 0.452 423 T N 1.045 115.363 114.554 -0.392 0.000 2.639 423 T HA -0.072 4.278 4.350 -0.000 0.000 0.261 423 T C 1.875 176.310 174.700 -0.441 0.000 1.053 423 T CA 1.844 63.638 62.100 -0.511 0.000 1.158 423 T CB -0.338 68.428 68.868 -0.171 0.000 0.863 423 T HN 0.327 nan 8.240 nan 0.000 0.413 424 L N 1.112 122.225 121.223 -0.183 0.000 1.989 424 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 424 L C 3.056 179.770 176.870 -0.260 0.000 1.071 424 L CA 1.639 56.393 54.840 -0.143 0.000 0.749 424 L CB -1.095 40.944 42.059 -0.034 0.000 0.890 424 L HN 0.219 nan 8.230 nan 0.000 0.431 425 A N 0.584 123.258 122.820 -0.242 0.000 2.015 425 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 425 A C 2.382 179.821 177.584 -0.241 0.000 1.163 425 A CA 1.539 53.418 52.037 -0.263 0.000 0.646 425 A CB -1.025 17.885 19.000 -0.150 0.000 0.806 425 A HN 0.486 nan 8.150 nan 0.000 0.448 426 G N 0.166 108.780 108.800 -0.310 0.000 2.453 426 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.215 426 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.215 426 G C 1.627 176.441 174.900 -0.144 0.000 1.147 426 G CA 0.883 45.826 45.100 -0.262 0.000 0.802 426 G HN 0.604 nan 8.290 nan 0.000 0.535 427 M N 0.336 119.815 119.600 -0.203 0.000 2.117 427 M HA 0.045 4.525 4.480 -0.000 0.000 0.262 427 M C 2.160 178.454 176.300 -0.010 0.000 1.065 427 M CA 1.162 56.477 55.300 0.024 0.000 1.114 427 M CB -0.974 31.641 32.600 0.025 0.000 1.361 427 M HN 0.056 nan 8.290 nan 0.000 0.408 428 L N 0.871 122.034 121.223 -0.100 0.000 2.189 428 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 428 L C 2.227 179.074 176.870 -0.038 0.000 1.097 428 L CA 1.693 56.487 54.840 -0.078 0.000 0.764 428 L CB -1.820 40.117 42.059 -0.203 0.000 0.900 428 L HN 0.287 nan 8.230 nan 0.000 0.436 429 E N -1.155 119.018 120.200 -0.046 0.000 2.170 429 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 429 E C 2.049 178.612 176.600 -0.062 0.000 0.981 429 E CA 0.354 56.718 56.400 -0.060 0.000 0.830 429 E CB -0.277 29.392 29.700 -0.052 0.000 0.775 429 E HN 0.201 nan 8.360 nan 0.000 0.470 430 M N -0.445 119.155 119.600 -0.000 0.000 2.700 430 M HA 0.038 4.518 4.480 -0.000 0.000 0.249 430 M C 1.318 177.593 176.300 -0.041 0.000 1.082 430 M CA 0.789 56.088 55.300 -0.001 0.000 1.077 430 M CB -0.496 32.131 32.600 0.044 0.000 1.477 430 M HN 0.146 nan 8.290 nan 0.000 0.529 431 G N -1.843 106.926 108.800 -0.050 0.000 2.743 431 G HA2 0.077 4.037 3.960 -0.000 0.000 0.206 431 G HA3 0.077 4.037 3.960 -0.000 0.000 0.206 431 G C 1.319 176.108 174.900 -0.186 0.000 1.115 431 G CA 0.052 45.099 45.100 -0.088 0.000 0.782 431 G HN 0.293 nan 8.290 nan 0.000 0.524 432 V N 1.336 121.189 119.914 -0.102 0.000 2.490 432 V HA -0.081 4.039 4.120 -0.000 0.000 0.250 432 V C 1.865 177.919 176.094 -0.067 0.000 1.061 432 V CA 1.123 63.437 62.300 0.023 0.000 1.064 432 V CB -0.545 31.404 31.823 0.209 0.000 0.670 432 V HN 0.409 nan 8.190 nan 0.000 0.461 433 S N -0.645 114.974 115.700 -0.135 0.000 3.508 433 S HA -0.196 4.274 4.470 -0.000 0.000 0.422 433 S C -0.497 174.078 174.600 -0.041 0.000 1.146 433 S CA 0.550 58.681 58.200 -0.116 0.000 0.893 433 S CB -0.233 62.889 63.200 -0.129 0.000 0.629 433 S HN 0.479 nan 8.310 nan 0.000 0.468 434 Y N 4.349 124.573 120.300 -0.126 0.000 2.833 434 Y HA 0.815 5.365 4.550 -0.000 0.000 0.323 434 Y C -0.864 174.961 175.900 -0.126 0.000 1.220 434 Y CA -1.352 56.686 58.100 -0.102 0.000 1.174 434 Y CB 0.932 39.374 38.460 -0.029 0.000 1.404 434 Y HN 0.655 nan 8.280 nan 0.000 0.607 435 L N 2.632 123.053 121.223 -1.337 0.000 3.882 435 L HA 0.291 4.631 4.340 -0.000 0.000 0.266 435 L C -3.065 173.106 176.870 -1.164 0.000 1.003 435 L CA -1.158 53.121 54.840 -0.934 0.000 1.166 435 L CB 2.546 44.238 42.059 -0.612 0.000 1.952 435 L HN 0.471 nan 8.230 nan 0.000 0.567 436 P HA 0.422 nan 4.420 nan 0.000 0.304 436 P C -1.018 176.373 177.300 0.151 0.000 1.366 436 P CA -0.478 62.535 63.100 -0.145 0.000 0.859 436 P CB 2.247 34.051 31.700 0.174 0.000 0.961 437 V N 4.496 124.510 119.914 0.168 0.000 2.863 437 V HA 0.478 4.598 4.120 -0.000 0.000 0.307 437 V C 0.402 176.821 176.094 0.541 0.000 1.061 437 V CA -0.161 62.458 62.300 0.532 0.000 1.024 437 V CB 1.247 33.201 31.823 0.219 0.000 1.049 437 V HN 0.627 nan 8.190 nan 0.000 0.471 438 N N -0.326 118.647 118.700 0.455 0.000 2.825 438 N HA 0.337 5.077 4.740 -0.000 0.000 0.253 438 N C 0.277 175.836 175.510 0.082 0.000 1.426 438 N CA -0.678 52.345 53.050 -0.044 0.000 0.851 438 N CB 1.916 39.890 38.487 -0.855 0.000 1.470 438 N HN 0.547 nan 8.380 nan 0.000 0.517 439 Q N -0.046 119.823 119.800 0.116 0.000 2.077 439 Q HA -0.073 4.267 4.340 -0.000 0.000 0.206 439 Q C 0.934 177.003 176.000 0.115 0.000 0.989 439 Q CA 1.438 57.312 55.803 0.119 0.000 0.853 439 Q CB -0.218 28.565 28.738 0.076 0.000 0.907 439 Q HN 0.475 nan 8.270 nan 0.000 0.418 440 N N 0.051 118.732 118.700 -0.032 0.000 2.184 440 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 440 N C 1.351 177.232 175.510 0.619 0.000 1.011 440 N CA 1.436 54.605 53.050 0.197 0.000 0.867 440 N CB -0.261 38.292 38.487 0.112 0.000 0.993 440 N HN 0.515 nan 8.380 nan 0.000 0.433 441 W N 0.904 122.355 121.300 0.252 0.000 2.418 441 W HA -0.070 4.590 4.660 -0.000 0.000 0.292 441 W C 2.271 178.940 176.519 0.250 0.000 1.213 441 W CA -0.436 57.058 57.345 0.247 0.000 1.283 441 W CB -0.057 29.541 29.460 0.230 0.000 1.119 441 W HN 0.028 nan 8.180 nan 0.000 0.542 442 E N 1.386 121.875 120.200 0.482 0.000 2.107 442 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 442 E C 1.991 178.735 176.600 0.240 0.000 0.982 442 E CA 1.233 57.845 56.400 0.353 0.000 0.809 442 E CB -0.212 29.653 29.700 0.275 0.000 0.756 442 E HN -0.033 nan 8.360 nan 0.000 0.459 443 R N -0.672 119.920 120.500 0.153 0.000 2.081 443 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 443 R C 2.043 178.388 176.300 0.076 0.000 1.131 443 R CA 1.514 57.641 56.100 0.046 0.000 0.960 443 R CB -1.122 29.120 30.300 -0.096 0.000 0.856 443 R HN 0.219 nan 8.270 nan 0.000 0.436 444 Y N 0.589 120.983 120.300 0.157 0.000 2.207 444 Y HA -0.163 4.387 4.550 -0.000 0.000 0.287 444 Y C 2.155 178.111 175.900 0.093 0.000 1.156 444 Y CA 1.364 59.521 58.100 0.094 0.000 1.182 444 Y CB -0.537 37.955 38.460 0.054 0.000 0.979 444 Y HN 0.079 nan 8.280 nan 0.000 0.521 445 L N -0.938 120.470 121.223 0.309 0.000 2.189 445 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 445 L C 2.195 179.248 176.870 0.306 0.000 1.097 445 L CA 1.598 56.603 54.840 0.275 0.000 0.764 445 L CB -0.358 41.866 42.059 0.274 0.000 0.900 445 L HN 0.317 nan 8.230 nan 0.000 0.436 446 A N -0.075 122.896 122.820 0.253 0.000 1.924 446 A HA -0.151 4.169 4.320 -0.000 0.000 0.211 446 A C 2.019 179.728 177.584 0.207 0.000 1.198 446 A CA 0.682 52.860 52.037 0.235 0.000 0.657 446 A CB -0.344 18.755 19.000 0.164 0.000 0.852 446 A HN 0.571 nan 8.150 nan 0.000 0.454 447 E N 0.653 120.946 120.200 0.155 0.000 2.171 447 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 447 E C 1.738 178.408 176.600 0.117 0.000 0.997 447 E CA 1.491 57.964 56.400 0.122 0.000 0.810 447 E CB -0.367 29.398 29.700 0.108 0.000 0.738 447 E HN 0.433 nan 8.360 nan 0.000 0.467 448 A N 0.691 123.568 122.820 0.095 0.000 2.067 448 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 448 A C 2.092 179.741 177.584 0.109 0.000 1.158 448 A CA 1.441 53.420 52.037 -0.098 0.000 0.661 448 A CB -0.354 18.431 19.000 -0.358 0.000 0.801 448 A HN 0.412 nan 8.150 nan 0.000 0.452 449 Q N -0.769 119.267 119.800 0.394 0.000 1.994 449 Q HA -0.059 4.281 4.340 -0.000 0.000 0.198 449 Q C 2.314 178.468 176.000 0.256 0.000 0.976 449 Q CA 1.044 57.330 55.803 0.805 0.000 0.828 449 Q CB -0.577 28.591 28.738 0.718 0.000 0.894 449 Q HN 0.621 nan 8.270 nan 0.000 0.432 450 G N 0.919 109.802 108.800 0.139 0.000 2.545 450 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.222 450 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.222 450 G C 1.381 176.265 174.900 -0.028 0.000 1.126 450 G CA 1.743 46.851 45.100 0.014 0.000 0.754 450 G HN 0.320 nan 8.290 nan 0.000 0.583 451 T N 0.474 115.052 114.554 0.041 0.000 2.732 451 T HA -0.108 4.242 4.350 -0.000 0.000 0.261 451 T C 2.125 176.885 174.700 0.100 0.000 1.040 451 T CA 1.394 63.521 62.100 0.044 0.000 1.145 451 T CB -0.558 68.324 68.868 0.024 0.000 0.866 451 T HN 0.657 nan 8.240 nan 0.000 0.427 452 Y N 2.094 122.470 120.300 0.127 0.000 2.241 452 Y HA -0.088 4.462 4.550 -0.000 0.000 0.286 452 Y C 2.084 178.098 175.900 0.190 0.000 1.166 452 Y CA 1.006 59.267 58.100 0.268 0.000 1.203 452 Y CB -0.817 38.131 38.460 0.814 0.000 0.977 452 Y HN 0.219 nan 8.280 nan 0.000 0.529 453 E N 1.073 121.038 120.200 -0.392 0.000 2.007 453 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 453 E C 2.011 178.560 176.600 -0.085 0.000 0.999 453 E CA 1.551 57.757 56.400 -0.323 0.000 0.811 453 E CB -0.303 29.164 29.700 -0.389 0.000 0.762 453 E HN 0.670 nan 8.360 nan 0.000 0.450 454 E N 0.833 121.000 120.200 -0.055 0.000 2.172 454 E HA -0.266 4.084 4.350 -0.000 0.000 0.213 454 E C 2.257 178.869 176.600 0.019 0.000 1.051 454 E CA 1.302 57.697 56.400 -0.008 0.000 0.860 454 E CB -0.333 29.371 29.700 0.007 0.000 0.755 454 E HN 0.260 nan 8.360 nan 0.000 0.462 455 L N 0.323 121.579 121.223 0.055 0.000 2.056 455 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 455 L C 2.566 179.472 176.870 0.060 0.000 1.078 455 L CA 1.183 56.067 54.840 0.072 0.000 0.749 455 L CB -0.257 41.876 42.059 0.123 0.000 0.901 455 L HN 0.186 nan 8.230 nan 0.000 0.433 456 Q N -0.422 119.420 119.800 0.071 0.000 2.436 456 Q HA -0.092 4.248 4.340 -0.000 0.000 0.209 456 Q C 1.816 177.823 176.000 0.012 0.000 0.965 456 Q CA 0.648 56.479 55.803 0.047 0.000 0.910 456 Q CB 0.295 29.073 28.738 0.067 0.000 0.980 456 Q HN 0.489 nan 8.270 nan 0.000 0.491 457 R N -1.017 119.485 120.500 0.004 0.000 2.307 457 R HA 0.112 4.452 4.340 -0.000 0.000 0.200 457 R C 1.035 177.337 176.300 0.004 0.000 0.893 457 R CA 0.251 56.350 56.100 -0.002 0.000 1.042 457 R CB 0.343 30.635 30.300 -0.012 0.000 1.059 457 R HN 0.241 nan 8.270 nan 0.000 0.530 458 E N 1.189 121.394 120.200 0.009 0.000 2.162 458 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 458 E C 1.875 178.479 176.600 0.008 0.000 0.953 458 E CA 0.166 56.572 56.400 0.010 0.000 0.849 458 E CB 0.052 29.761 29.700 0.014 0.000 0.810 458 E HN 0.059 nan 8.360 nan 0.000 0.470 459 M N 2.313 121.917 119.600 0.007 0.000 2.151 459 M HA -0.290 4.190 4.480 -0.000 0.000 0.256 459 M C 2.290 178.586 176.300 -0.007 0.000 1.072 459 M CA 2.028 57.326 55.300 -0.004 0.000 1.090 459 M CB -0.144 32.448 32.600 -0.013 0.000 1.294 459 M HN -0.071 nan 8.290 nan 0.000 0.415 460 K N 1.118 121.516 120.400 -0.004 0.000 2.009 460 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 460 K C 1.586 178.191 176.600 0.008 0.000 1.049 460 K CA 1.998 58.288 56.287 0.004 0.000 0.929 460 K CB -1.271 31.234 32.500 0.009 0.000 0.714 460 K HN 0.511 nan 8.250 nan 0.000 0.440 461 K N 1.753 122.158 120.400 0.007 0.000 2.034 461 K HA -0.196 4.124 4.320 -0.000 0.000 0.214 461 K C 2.411 179.012 176.600 0.003 0.000 1.051 461 K CA 2.221 58.512 56.287 0.007 0.000 0.931 461 K CB -1.216 31.287 32.500 0.006 0.000 0.715 461 K HN 0.451 nan 8.250 nan 0.000 0.446 462 S N 1.735 117.437 115.700 0.002 0.000 2.374 462 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 462 S C 2.218 176.815 174.600 -0.005 0.000 1.037 462 S CA 1.339 59.539 58.200 0.000 0.000 1.024 462 S CB -0.720 62.482 63.200 0.002 0.000 0.861 462 S HN 0.376 nan 8.310 nan 0.000 0.456 463 L N 0.503 121.723 121.223 -0.004 0.000 2.005 463 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 463 L C 2.895 179.756 176.870 -0.015 0.000 1.072 463 L CA 1.773 56.609 54.840 -0.007 0.000 0.744 463 L CB -0.359 41.705 42.059 0.008 0.000 0.895 463 L HN 0.369 nan 8.230 nan 0.000 0.433 464 M N -0.574 119.026 119.600 0.001 0.000 2.108 464 M HA -0.300 4.180 4.480 -0.000 0.000 0.257 464 M C 1.762 178.045 176.300 -0.028 0.000 1.071 464 M CA 1.993 57.291 55.300 -0.004 0.000 1.093 464 M CB -0.735 31.872 32.600 0.011 0.000 1.345 464 M HN 0.332 nan 8.290 nan 0.000 0.403 465 D N 0.352 120.739 120.400 -0.021 0.000 2.117 465 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 465 D C 2.001 178.279 176.300 -0.036 0.000 0.982 465 D CA 1.171 55.157 54.000 -0.023 0.000 0.828 465 D CB -0.220 40.573 40.800 -0.011 0.000 0.967 465 D HN 0.273 nan 8.370 nan 0.000 0.464 466 L N 1.142 122.342 121.223 -0.039 0.000 2.187 466 L HA -0.084 4.256 4.340 -0.000 0.000 0.213 466 L C 2.440 179.259 176.870 -0.086 0.000 1.100 466 L CA 0.859 55.669 54.840 -0.050 0.000 0.765 466 L CB -1.901 40.131 42.059 -0.046 0.000 0.904 466 L HN -0.078 nan 8.230 nan 0.000 0.437 467 A N 0.418 123.172 122.820 -0.110 0.000 1.823 467 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 467 A C 2.237 179.744 177.584 -0.129 0.000 1.225 467 A CA 1.467 53.401 52.037 -0.172 0.000 0.604 467 A CB -0.785 18.094 19.000 -0.201 0.000 0.878 467 A HN 0.365 nan 8.150 nan 0.000 0.450 468 N N 0.403 119.049 118.700 -0.090 0.000 2.061 468 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 468 N C 1.363 176.844 175.510 -0.047 0.000 1.030 468 N CA 1.564 54.574 53.050 -0.066 0.000 0.856 468 N CB -0.500 37.960 38.487 -0.045 0.000 1.023 468 N HN 0.471 nan 8.380 nan 0.000 0.424 469 D N 0.173 120.549 120.400 -0.040 0.000 2.240 469 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 469 D C 1.744 178.029 176.300 -0.025 0.000 1.018 469 D CA 1.833 55.819 54.000 -0.025 0.000 0.887 469 D CB -0.762 40.024 40.800 -0.022 0.000 1.087 469 D HN 0.230 nan 8.370 nan 0.000 0.464 470 A N 0.336 123.133 122.820 -0.039 0.000 1.862 470 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 470 A C 2.730 180.293 177.584 -0.034 0.000 1.251 470 A CA 2.573 54.586 52.037 -0.041 0.000 0.673 470 A CB -1.481 17.480 19.000 -0.066 0.000 0.843 470 A HN 0.536 nan 8.150 nan 0.000 0.458 471 C N -1.101 118.162 119.300 -0.061 0.000 2.336 471 C HA -0.229 4.231 4.460 -0.000 0.000 0.272 471 C C 3.073 178.076 174.990 0.022 0.000 1.160 471 C CA 1.660 60.660 59.018 -0.032 0.000 1.783 471 C CB -1.554 26.146 27.740 -0.066 0.000 2.050 471 C HN 0.678 nan 8.230 nan 0.000 0.443 472 Q N -0.233 119.575 119.800 0.013 0.000 1.965 472 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 472 Q C 2.309 178.340 176.000 0.052 0.000 0.981 472 Q CA 1.387 57.217 55.803 0.046 0.000 0.834 472 Q CB -0.643 28.108 28.738 0.023 0.000 0.900 472 Q HN 0.687 nan 8.270 nan 0.000 0.426 473 L N 0.879 122.120 121.223 0.031 0.000 2.113 473 L HA -0.240 4.100 4.340 -0.000 0.000 0.221 473 L C 0.721 177.616 176.870 0.042 0.000 1.084 473 L CA 0.656 55.516 54.840 0.033 0.000 0.787 473 L CB -0.995 41.076 42.059 0.021 0.000 0.893 473 L HN 0.136 nan 8.230 nan 0.000 0.440 474 L N -0.157 121.091 121.223 0.043 0.000 2.439 474 L HA 0.134 4.474 4.340 -0.000 0.000 0.269 474 L C 0.450 177.360 176.870 0.067 0.000 1.179 474 L CA 0.652 55.521 54.840 0.048 0.000 0.828 474 L CB 0.626 42.712 42.059 0.044 0.000 1.106 474 L HN 0.090 nan 8.230 nan 0.000 0.467 475 S N -0.144 115.594 115.700 0.063 0.000 2.557 475 S HA 0.976 5.446 4.470 -0.000 0.000 0.291 475 S C -0.274 174.363 174.600 0.062 0.000 1.116 475 S CA -0.385 57.859 58.200 0.072 0.000 0.992 475 S CB 1.880 65.119 63.200 0.065 0.000 1.028 475 S HN 1.044 nan 8.310 nan 0.000 0.484 476 G N 0.284 109.124 108.800 0.066 0.000 2.547 476 G HA2 0.594 4.554 3.960 -0.000 0.000 0.291 476 G HA3 0.594 4.554 3.960 -0.000 0.000 0.291 476 G C -0.653 174.273 174.900 0.043 0.000 1.471 476 G CA -0.007 45.124 45.100 0.052 0.000 0.798 476 G HN 0.964 nan 8.290 nan 0.000 0.504 477 E N -1.077 119.139 120.200 0.026 0.000 2.973 477 E HA -0.230 4.119 4.350 -0.000 0.000 0.318 477 E C 0.020 176.608 176.600 -0.020 0.000 1.406 477 E CA 1.139 57.544 56.400 0.008 0.000 1.522 477 E CB -0.550 29.160 29.700 0.016 0.000 1.856 477 E HN 0.720 nan 8.360 nan 0.000 0.541 478 R N 0.544 121.017 120.500 -0.044 0.000 2.599 478 R HA 0.332 4.672 4.340 -0.000 0.000 0.295 478 R C -0.681 175.560 176.300 -0.099 0.000 0.963 478 R CA -0.399 55.638 56.100 -0.105 0.000 0.883 478 R CB 0.710 30.926 30.300 -0.141 0.000 1.171 478 R HN 0.400 nan 8.270 nan 0.000 0.450 479 Y N 2.726 122.911 120.300 -0.191 0.000 2.550 479 Y HA 0.135 4.685 4.550 -0.000 0.000 0.343 479 Y C 0.374 176.001 175.900 -0.454 0.000 1.245 479 Y CA -0.696 57.195 58.100 -0.350 0.000 1.462 479 Y CB 0.489 38.746 38.460 -0.339 0.000 1.340 479 Y HN 0.909 nan 8.280 nan 0.000 0.604 480 K N -0.919 119.144 120.400 -0.561 0.000 3.612 480 K HA -0.251 4.069 4.320 -0.000 0.000 0.274 480 K C -0.449 175.960 176.600 -0.319 0.000 1.123 480 K CA 1.880 57.774 56.287 -0.655 0.000 1.059 480 K CB -1.117 31.325 32.500 -0.097 0.000 1.330 480 K HN 0.910 nan 8.250 nan 0.000 0.477 481 E N 0.645 120.728 120.200 -0.196 0.000 2.355 481 E HA 0.446 4.796 4.350 -0.000 0.000 0.261 481 E C -0.540 176.055 176.600 -0.009 0.000 0.943 481 E CA -0.312 56.056 56.400 -0.052 0.000 0.806 481 E CB 1.314 30.976 29.700 -0.064 0.000 1.286 481 E HN 0.262 nan 8.360 nan 0.000 0.424 482 D N -1.536 118.868 120.400 0.006 0.000 4.065 482 D HA -0.166 4.474 4.640 -0.000 0.000 0.269 482 D C -2.063 174.285 176.300 0.080 0.000 1.946 482 D CA 0.145 54.166 54.000 0.035 0.000 1.198 482 D CB -1.714 39.123 40.800 0.061 0.000 0.879 482 D HN 0.425 nan 8.370 nan 0.000 1.080 483 P HA -0.157 nan 4.420 nan 0.000 0.219 483 P C 1.770 179.293 177.300 0.372 0.000 1.146 483 P CA 2.373 65.685 63.100 0.355 0.000 0.808 483 P CB -0.511 31.433 31.700 0.406 0.000 0.779 484 W N 3.656 125.021 121.300 0.107 0.000 2.305 484 W HA -0.242 4.418 4.660 -0.000 0.000 0.308 484 W C 1.706 178.283 176.519 0.097 0.000 1.226 484 W CA 1.810 59.213 57.345 0.097 0.000 1.253 484 W CB -1.440 28.063 29.460 0.071 0.000 1.146 484 W HN -0.108 nan 8.180 nan 0.000 0.507 485 L N -0.723 120.810 121.223 0.518 0.000 2.137 485 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 485 L C 2.216 179.173 176.870 0.146 0.000 1.085 485 L CA 2.263 57.274 54.840 0.285 0.000 0.760 485 L CB -1.732 40.343 42.059 0.026 0.000 0.893 485 L HN 0.031 nan 8.230 nan 0.000 0.434 486 W N 0.558 121.926 121.300 0.113 0.000 2.352 486 W HA -0.205 4.455 4.660 -0.000 0.000 0.322 486 W C 2.705 179.198 176.519 -0.042 0.000 1.208 486 W CA 1.010 58.376 57.345 0.035 0.000 1.286 486 W CB -0.423 28.976 29.460 -0.101 0.000 1.167 486 W HN 0.249 nan 8.180 nan 0.000 0.469 487 D N 0.316 120.793 120.400 0.129 0.000 2.133 487 D HA -0.220 4.420 4.640 -0.000 0.000 0.192 487 D C 2.062 178.350 176.300 -0.020 0.000 1.001 487 D CA 1.809 55.766 54.000 -0.071 0.000 0.844 487 D CB -0.325 40.340 40.800 -0.225 0.000 0.944 487 D HN 0.082 nan 8.370 nan 0.000 0.447 488 L N 0.483 121.637 121.223 -0.113 0.000 1.994 488 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 488 L C 2.487 179.442 176.870 0.142 0.000 1.071 488 L CA 1.349 56.163 54.840 -0.044 0.000 0.745 488 L CB -0.870 41.150 42.059 -0.065 0.000 0.892 488 L HN 0.061 nan 8.230 nan 0.000 0.431 489 E N -0.372 119.969 120.200 0.235 0.000 2.097 489 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 489 E C 1.978 178.697 176.600 0.198 0.000 1.000 489 E CA 1.922 58.452 56.400 0.217 0.000 0.804 489 E CB -0.268 29.603 29.700 0.284 0.000 0.740 489 E HN 0.457 nan 8.360 nan 0.000 0.454 490 W N 1.341 122.674 121.300 0.054 0.000 2.379 490 W HA -0.083 4.577 4.660 -0.000 0.000 0.307 490 W C 1.752 178.263 176.519 -0.013 0.000 1.200 490 W CA 1.103 58.462 57.345 0.022 0.000 1.297 490 W CB -0.565 28.915 29.460 0.033 0.000 1.140 490 W HN 0.034 nan 8.180 nan 0.000 0.507 491 D N -0.023 120.511 120.400 0.223 0.000 2.348 491 D HA -0.024 4.616 4.640 -0.000 0.000 0.216 491 D C 0.807 177.161 176.300 0.091 0.000 0.970 491 D CA 0.398 54.469 54.000 0.119 0.000 0.889 491 D CB -0.646 40.192 40.800 0.064 0.000 0.912 491 D HN -0.030 nan 8.370 nan 0.000 0.524 492 L N 0.903 122.165 121.223 0.065 0.000 3.155 492 L HA -0.232 4.108 4.340 -0.000 0.000 0.368 492 L C 0.649 177.587 176.870 0.112 0.000 1.206 492 L CA 0.969 55.826 54.840 0.027 0.000 0.807 492 L CB -0.205 41.678 42.059 -0.293 0.000 1.097 492 L HN 0.251 nan 8.230 nan 0.000 0.623 493 Q N 3.725 123.739 119.800 0.355 0.000 2.791 493 Q HA 0.130 4.470 4.340 -0.000 0.000 0.280 493 Q C -0.548 175.760 176.000 0.513 0.000 0.928 493 Q CA -0.056 55.983 55.803 0.392 0.000 0.819 493 Q CB 1.298 30.194 28.738 0.263 0.000 1.552 493 Q HN 0.745 nan 8.270 nan 0.000 0.410 494 E N 0.418 120.805 120.200 0.310 0.000 2.791 494 E HA -0.187 4.163 4.350 -0.000 0.000 0.271 494 E C -1.642 174.672 176.600 -0.478 0.000 1.044 494 E CA 1.037 57.335 56.400 -0.170 0.000 0.814 494 E CB -2.248 27.341 29.700 -0.186 0.000 1.400 494 E HN 0.300 nan 8.360 nan 0.000 0.423 495 F N 0.383 119.897 119.950 -0.727 0.000 2.362 495 F HA 0.542 5.069 4.527 -0.000 0.000 0.311 495 F C 1.654 176.850 175.800 -1.006 0.000 1.161 495 F CA -0.436 57.225 58.000 -0.563 0.000 1.085 495 F CB 0.640 39.673 39.000 0.055 0.000 1.311 495 F HN -0.114 nan 8.300 nan 0.000 0.524 496 K N -0.434 119.817 120.400 -0.249 0.000 2.614 496 K HA 0.093 4.413 4.320 -0.000 0.000 0.198 496 K C 0.925 177.527 176.600 0.002 0.000 1.338 496 K CA -0.009 56.161 56.287 -0.195 0.000 1.066 496 K CB 0.119 32.409 32.500 -0.350 0.000 1.119 496 K HN 0.394 nan 8.250 nan 0.000 0.609 497 Q N 1.639 121.494 119.800 0.093 0.000 2.368 497 Q HA -0.019 4.321 4.340 -0.000 0.000 0.210 497 Q C -0.429 175.631 176.000 0.101 0.000 0.982 497 Q CA 1.370 57.230 55.803 0.094 0.000 0.884 497 Q CB -0.072 28.740 28.738 0.124 0.000 0.933 497 Q HN 0.215 nan 8.270 nan 0.000 0.460 498 K N -2.073 118.414 120.400 0.145 0.000 1.410 498 K HA -0.251 4.069 4.320 -0.000 0.000 0.826 498 K C -1.113 175.537 176.600 0.083 0.000 2.096 498 K CA 1.160 57.519 56.287 0.120 0.000 1.397 498 K CB -0.761 31.786 32.500 0.079 0.000 2.634 498 K HN 0.252 nan 8.250 nan 0.000 0.232 499 K N -0.687 119.751 120.400 0.064 0.000 3.147 499 K HA 0.505 4.825 4.320 -0.000 0.000 0.190 499 K C -0.711 175.914 176.600 0.042 0.000 1.094 499 K CA 0.178 56.491 56.287 0.044 0.000 1.024 499 K CB 0.902 33.421 32.500 0.032 0.000 0.700 499 K HN 0.711 nan 8.250 nan 0.000 0.424 500 A N 2.429 125.275 122.820 0.044 0.000 2.570 500 A HA -0.075 4.245 4.320 -0.000 0.000 0.274 500 A C 0.914 178.517 177.584 0.032 0.000 0.943 500 A CA 1.110 53.170 52.037 0.038 0.000 0.983 500 A CB 0.061 19.082 19.000 0.035 0.000 0.802 500 A HN 0.650 nan 8.150 nan 0.000 0.456 501 K N 1.847 122.266 120.400 0.031 0.000 2.410 501 K HA 0.168 4.488 4.320 -0.000 0.000 0.204 501 K C 0.566 177.181 176.600 0.024 0.000 1.268 501 K CA 0.181 56.485 56.287 0.028 0.000 0.896 501 K CB -0.379 32.139 32.500 0.030 0.000 1.401 501 K HN 0.414 nan 8.250 nan 0.000 0.479 502 K N 3.166 123.580 120.400 0.024 0.000 2.401 502 K HA 0.133 4.453 4.320 -0.000 0.000 0.278 502 K C -0.249 176.363 176.600 0.020 0.000 1.018 502 K CA -0.154 56.145 56.287 0.020 0.000 0.981 502 K CB 0.595 33.107 32.500 0.021 0.000 0.933 502 K HN 0.162 nan 8.250 nan 0.000 0.477 503 V N 2.181 122.105 119.914 0.016 0.000 2.973 503 V HA 0.309 4.429 4.120 -0.000 0.000 0.314 503 V C 1.024 177.127 176.094 0.015 0.000 1.066 503 V CA -0.872 61.437 62.300 0.016 0.000 1.021 503 V CB 1.232 33.063 31.823 0.013 0.000 1.076 503 V HN 0.872 nan 8.190 nan 0.000 0.462 504 K N 0.492 120.901 120.400 0.015 0.000 2.742 504 K HA -0.200 4.120 4.320 -0.000 0.000 0.202 504 K C 0.306 176.913 176.600 0.012 0.000 0.977 504 K CA 1.524 57.820 56.287 0.014 0.000 0.926 504 K CB -0.438 32.070 32.500 0.013 0.000 0.768 504 K HN 0.749 nan 8.250 nan 0.000 0.484 505 K N 0.856 121.263 120.400 0.012 0.000 2.565 505 K HA 0.114 4.434 4.320 -0.000 0.000 0.249 505 K C -1.922 174.684 176.600 0.009 0.000 0.958 505 K CA -0.564 55.729 56.287 0.009 0.000 0.806 505 K CB 1.158 33.662 32.500 0.008 0.000 1.194 505 K HN 0.406 nan 8.250 nan 0.000 0.434 506 E N 3.211 123.416 120.200 0.009 0.000 2.472 506 E HA 0.298 4.648 4.350 -0.000 0.000 0.290 506 E C -2.805 173.800 176.600 0.007 0.000 1.059 506 E CA -1.476 54.929 56.400 0.008 0.000 0.861 506 E CB 0.439 30.146 29.700 0.012 0.000 1.213 506 E HN 0.291 nan 8.360 nan 0.000 0.425 507 P HA 0.132 nan 4.420 nan 0.000 0.269 507 P C -0.718 176.586 177.300 0.007 0.000 1.205 507 P CA 0.014 63.116 63.100 0.003 0.000 0.780 507 P CB 0.363 32.064 31.700 0.000 0.000 0.858 508 A N 1.856 124.680 122.820 0.006 0.000 2.484 508 A HA 0.338 4.658 4.320 -0.000 0.000 0.268 508 A C 0.886 178.476 177.584 0.011 0.000 1.114 508 A CA -0.057 51.985 52.037 0.009 0.000 0.780 508 A CB -0.977 18.027 19.000 0.008 0.000 1.061 508 A HN 0.666 nan 8.150 nan 0.000 0.505 509 T N 1.134 115.697 114.554 0.016 0.000 2.855 509 T HA 0.449 4.799 4.350 -0.000 0.000 0.322 509 T C 0.934 175.646 174.700 0.019 0.000 1.088 509 T CA -0.124 61.987 62.100 0.020 0.000 1.104 509 T CB 0.550 69.433 68.868 0.026 0.000 0.996 509 T HN 1.334 nan 8.240 nan 0.000 0.549 510 A N 2.091 124.924 122.820 0.020 0.000 2.529 510 A HA 0.421 4.741 4.320 -0.000 0.000 0.243 510 A C 1.493 179.091 177.584 0.024 0.000 1.781 510 A CA 0.041 52.089 52.037 0.018 0.000 0.877 510 A CB -0.923 18.089 19.000 0.019 0.000 1.601 510 A HN 1.519 nan 8.150 nan 0.000 0.674 511 S N 0.249 115.964 115.700 0.025 0.000 3.772 511 S HA 0.187 4.657 4.470 -0.000 0.000 0.191 511 S C -0.045 174.585 174.600 0.049 0.000 1.060 511 S CA 0.218 58.436 58.200 0.031 0.000 1.051 511 S CB -0.747 62.469 63.200 0.027 0.000 1.578 511 S HN 0.541 nan 8.310 nan 0.000 0.481 512 K N 2.317 122.745 120.400 0.046 0.000 2.507 512 K HA 0.501 4.821 4.320 -0.000 0.000 0.251 512 K C -1.707 174.921 176.600 0.046 0.000 0.943 512 K CA -0.735 55.585 56.287 0.055 0.000 0.794 512 K CB 1.182 33.711 32.500 0.048 0.000 1.188 512 K HN 0.558 nan 8.250 nan 0.000 0.428 513 L N 5.916 127.169 121.223 0.051 0.000 2.573 513 L HA 0.353 4.693 4.340 -0.000 0.000 0.260 513 L C -2.388 174.485 176.870 0.006 0.000 0.997 513 L CA -1.757 53.103 54.840 0.034 0.000 0.890 513 L CB 1.722 43.809 42.059 0.046 0.000 1.179 513 L HN 0.405 nan 8.230 nan 0.000 0.439 514 P HA 0.266 nan 4.420 nan 0.000 0.280 514 P C 0.374 177.623 177.300 -0.085 0.000 1.278 514 P CA -0.018 63.048 63.100 -0.056 0.000 0.787 514 P CB 1.784 33.467 31.700 -0.028 0.000 1.163 515 I N -1.426 119.047 120.570 -0.163 0.000 4.399 515 I HA 0.079 4.249 4.170 -0.000 0.000 0.301 515 I C 1.875 177.832 176.117 -0.266 0.000 1.198 515 I CA 0.388 61.538 61.300 -0.250 0.000 1.315 515 I CB 0.144 37.846 38.000 -0.496 0.000 1.452 515 I HN 0.207 nan 8.210 nan 0.000 0.457 516 E N 1.532 121.597 120.200 -0.225 0.000 2.340 516 E HA 0.160 4.510 4.350 -0.000 0.000 0.198 516 E C 1.496 178.175 176.600 0.132 0.000 0.961 516 E CA 0.273 56.699 56.400 0.043 0.000 0.905 516 E CB 0.198 29.853 29.700 -0.076 0.000 0.884 516 E HN 0.378 nan 8.360 nan 0.000 0.491 517 G N 1.467 110.305 108.800 0.062 0.000 2.408 517 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.955 517 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.955 517 G C 0.478 175.416 174.900 0.063 0.000 1.178 517 G CA 0.698 45.836 45.100 0.063 0.000 1.504 517 G HN 0.364 nan 8.290 nan 0.000 0.848 518 A N -2.557 120.292 122.820 0.048 0.000 1.754 518 A HA 0.678 4.998 4.320 -0.000 0.000 0.168 518 A C 2.208 179.810 177.584 0.029 0.000 1.570 518 A CA 1.140 53.199 52.037 0.036 0.000 2.038 518 A CB -0.744 18.275 19.000 0.033 0.000 2.116 518 A HN 1.836 nan 8.150 nan 0.000 1.083 519 G N 0.355 109.171 108.800 0.027 0.000 2.863 519 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 519 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 519 G C 1.411 176.325 174.900 0.022 0.000 1.315 519 G CA 2.421 47.534 45.100 0.023 0.000 0.796 519 G HN 1.605 nan 8.290 nan 0.000 0.669 520 A N 0.579 123.414 122.820 0.025 0.000 2.302 520 A HA 0.435 4.755 4.320 -0.000 0.000 0.219 520 A C -0.889 176.710 177.584 0.025 0.000 1.243 520 A CA 1.014 53.065 52.037 0.023 0.000 0.856 520 A CB 0.304 19.318 19.000 0.024 0.000 0.893 520 A HN 0.482 nan 8.150 nan 0.000 0.491 521 P HA 0.203 nan 4.420 nan 0.000 0.323 521 P C 0.673 177.991 177.300 0.029 0.000 1.344 521 P CA 0.600 63.717 63.100 0.029 0.000 1.189 521 P CB 0.756 32.476 31.700 0.032 0.000 1.622 522 G N -0.198 108.619 108.800 0.029 0.000 3.690 522 G HA2 0.069 4.029 3.960 -0.000 0.000 0.283 522 G HA3 0.069 4.029 3.960 -0.000 0.000 0.283 522 G C -0.256 174.657 174.900 0.022 0.000 1.057 522 G CA -0.039 45.079 45.100 0.030 0.000 0.821 522 G HN -0.037 nan 8.290 nan 0.000 0.526 523 D N 2.801 123.212 120.400 0.019 0.000 2.498 523 D HA 0.185 4.825 4.640 -0.000 0.000 0.229 523 D C -1.834 174.476 176.300 0.016 0.000 1.188 523 D CA -0.932 53.076 54.000 0.014 0.000 1.028 523 D CB 1.805 42.613 40.800 0.013 0.000 1.087 523 D HN 0.252 nan 8.370 nan 0.000 0.510 524 P HA 0.475 nan 4.420 nan 0.000 0.321 524 P C -0.353 176.956 177.300 0.015 0.000 1.304 524 P CA -0.730 62.381 63.100 0.019 0.000 0.759 524 P CB 1.123 32.837 31.700 0.023 0.000 1.385 525 M N -1.676 117.934 119.600 0.015 0.000 2.432 525 M HA 0.218 4.698 4.480 -0.000 0.000 0.203 525 M C -1.151 175.157 176.300 0.013 0.000 0.888 525 M CA -0.283 55.024 55.300 0.013 0.000 0.759 525 M CB -0.223 32.383 32.600 0.010 0.000 2.335 525 M HN 0.546 nan 8.290 nan 0.000 0.467 526 D N 1.099 121.506 120.400 0.012 0.000 3.452 526 D HA -0.306 4.334 4.640 -0.000 0.000 0.164 526 D C 0.258 176.566 176.300 0.013 0.000 1.074 526 D CA 1.700 55.707 54.000 0.012 0.000 1.069 526 D CB -0.716 40.090 40.800 0.009 0.000 0.527 526 D HN 1.434 nan 8.370 nan 0.000 0.558 527 Q N 0.048 119.854 119.800 0.011 0.000 1.149 527 Q HA -0.219 4.121 4.340 -0.000 0.000 0.300 527 Q C -0.655 175.351 176.000 0.010 0.000 1.014 527 Q CA 2.382 58.191 55.803 0.011 0.000 0.726 527 Q CB -1.646 27.099 28.738 0.012 0.000 4.217 527 Q HN 1.031 nan 8.270 nan 0.000 0.463 528 E N 0.991 121.197 120.200 0.010 0.000 2.303 528 E HA 0.752 5.102 4.350 -0.000 0.000 0.254 528 E C -0.892 175.712 176.600 0.007 0.000 0.979 528 E CA -0.402 56.003 56.400 0.007 0.000 0.843 528 E CB 2.040 31.743 29.700 0.005 0.000 1.245 528 E HN 0.488 nan 8.360 nan 0.000 0.413 529 D N -1.262 119.139 120.400 0.002 0.000 3.225 529 D HA 0.358 4.998 4.640 -0.000 0.000 0.295 529 D C -1.276 175.022 176.300 -0.004 0.000 1.051 529 D CA 0.362 54.360 54.000 -0.003 0.000 0.715 529 D CB 0.425 41.225 40.800 -0.001 0.000 1.500 529 D HN 0.873 nan 8.370 nan 0.000 0.483 530 L N -2.352 118.866 121.223 -0.008 0.000 3.314 530 L HA 0.594 4.934 4.340 -0.000 0.000 0.202 530 L C -1.531 175.334 176.870 -0.009 0.000 0.997 530 L CA -0.498 54.339 54.840 -0.006 0.000 1.079 530 L CB -0.092 41.965 42.059 -0.003 0.000 1.439 530 L HN 0.711 nan 8.230 nan 0.000 0.407 531 G N 0.238 109.033 108.800 -0.007 0.000 2.498 531 G HA2 0.823 4.783 3.960 -0.000 0.000 0.312 531 G HA3 0.823 4.783 3.960 -0.000 0.000 0.312 531 G C -2.805 172.092 174.900 -0.005 0.000 1.230 531 G CA -1.220 43.876 45.100 -0.008 0.000 0.968 531 G HN 0.665 nan 8.290 nan 0.000 0.481 532 P HA 0.332 nan 4.420 nan 0.000 0.276 532 P C 0.178 177.478 177.300 0.000 0.000 1.230 532 P CA -0.594 62.504 63.100 -0.002 0.000 0.776 532 P CB 1.071 32.769 31.700 -0.003 0.000 0.888 533 C N 0.246 119.546 119.300 0.001 0.000 3.593 533 C HA 0.051 4.511 4.460 -0.000 0.000 0.284 533 C C 1.963 176.955 174.990 0.003 0.000 1.414 533 C CA 0.813 59.833 59.018 0.002 0.000 1.674 533 C CB -1.078 26.663 27.740 0.002 0.000 2.104 533 C HN 0.885 nan 8.230 nan 0.000 0.604 534 S N 0.727 116.428 115.700 0.003 0.000 4.041 534 S HA -0.326 4.144 4.470 -0.000 0.000 0.549 534 S C -0.167 174.436 174.600 0.006 0.000 1.977 534 S CA 2.157 60.359 58.200 0.003 0.000 4.160 534 S CB -1.038 62.163 63.200 0.002 0.000 0.741 534 S HN 0.828 nan 8.310 nan 0.000 0.622 535 E N 0.554 120.758 120.200 0.008 0.000 2.375 535 E HA 0.501 4.851 4.350 -0.000 0.000 0.280 535 E C -1.513 175.095 176.600 0.014 0.000 0.972 535 E CA -0.384 56.024 56.400 0.013 0.000 0.782 535 E CB 1.399 31.108 29.700 0.015 0.000 1.229 535 E HN 0.647 nan 8.360 nan 0.000 0.439 536 E N 2.850 123.062 120.200 0.020 0.000 2.281 536 E HA 0.317 4.667 4.350 -0.000 0.000 0.262 536 E C 0.117 176.731 176.600 0.024 0.000 0.933 536 E CA -0.722 55.688 56.400 0.017 0.000 0.809 536 E CB 1.460 31.169 29.700 0.015 0.000 1.242 536 E HN 0.470 nan 8.360 nan 0.000 0.418 537 E N 0.573 120.780 120.200 0.012 0.000 2.086 537 E HA -0.233 4.117 4.350 -0.000 0.000 0.205 537 E C 0.126 176.729 176.600 0.004 0.000 1.027 537 E CA 1.772 58.175 56.400 0.005 0.000 0.830 537 E CB 0.103 29.797 29.700 -0.010 0.000 0.751 537 E HN 0.556 nan 8.360 nan 0.000 0.456 538 E N -0.973 119.224 120.200 -0.004 0.000 2.393 538 E HA 0.357 4.707 4.350 -0.000 0.000 0.273 538 E C -1.407 175.197 176.600 0.007 0.000 0.918 538 E CA -0.635 55.736 56.400 -0.050 0.000 0.773 538 E CB 1.557 31.182 29.700 -0.124 0.000 1.275 538 E HN -0.027 nan 8.360 nan 0.000 0.451 539 F N 1.579 121.527 119.950 -0.003 0.000 2.467 539 F HA 0.690 5.217 4.527 -0.000 0.000 0.336 539 F C -0.040 175.759 175.800 -0.002 0.000 1.123 539 F CA -0.265 57.734 58.000 -0.003 0.000 0.964 539 F CB 1.164 40.163 39.000 -0.002 0.000 1.136 539 F HN 0.405 nan 8.300 nan 0.000 0.447 540 Q N 2.100 121.935 119.800 0.058 0.000 2.614 540 Q HA -0.155 4.185 4.340 -0.000 0.000 0.304 540 Q C 0.754 176.746 176.000 -0.014 0.000 0.793 540 Q CA 0.197 55.998 55.803 -0.003 0.000 1.004 540 Q CB -0.448 28.187 28.738 -0.172 0.000 1.394 540 Q HN 0.926 nan 8.270 nan 0.000 0.479 541 Q N 0.579 120.360 119.800 -0.032 0.000 2.224 541 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 541 Q C 0.374 176.355 176.000 -0.031 0.000 0.970 541 Q CA 2.242 58.031 55.803 -0.022 0.000 0.865 541 Q CB -0.079 28.646 28.738 -0.022 0.000 0.922 541 Q HN 0.460 nan 8.270 nan 0.000 0.445 542 D N 1.993 122.359 120.400 -0.057 0.000 2.106 542 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 542 D C 2.032 178.311 176.300 -0.035 0.000 0.997 542 D CA 1.700 55.667 54.000 -0.055 0.000 0.834 542 D CB -0.429 40.319 40.800 -0.085 0.000 0.956 542 D HN 0.183 nan 8.370 nan 0.000 0.448 543 V N 0.096 119.992 119.914 -0.029 0.000 2.392 543 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 543 V C 1.985 178.078 176.094 -0.002 0.000 1.059 543 V CA 2.028 64.323 62.300 -0.008 0.000 1.051 543 V CB -0.294 31.537 31.823 0.013 0.000 0.658 543 V HN 0.207 nan 8.190 nan 0.000 0.455 544 M N 0.643 120.243 119.600 -0.000 0.000 2.062 544 M HA 0.066 4.546 4.480 -0.000 0.000 0.259 544 M C 2.224 178.522 176.300 -0.003 0.000 1.076 544 M CA 2.684 57.985 55.300 0.003 0.000 1.122 544 M CB -0.717 31.886 32.600 0.005 0.000 1.312 544 M HN 0.360 nan 8.290 nan 0.000 0.412 545 A N 0.557 123.372 122.820 -0.008 0.000 1.859 545 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 545 A C 2.252 179.830 177.584 -0.010 0.000 1.198 545 A CA 2.216 54.248 52.037 -0.010 0.000 0.629 545 A CB -0.943 18.048 19.000 -0.015 0.000 0.830 545 A HN 0.634 nan 8.150 nan 0.000 0.446 546 R N -0.931 119.561 120.500 -0.014 0.000 2.237 546 R HA 0.027 4.367 4.340 -0.000 0.000 0.219 546 R C 1.521 177.816 176.300 -0.009 0.000 1.080 546 R CA 0.877 56.969 56.100 -0.014 0.000 0.995 546 R CB -0.239 30.049 30.300 -0.019 0.000 0.875 546 R HN 0.495 nan 8.270 nan 0.000 0.462 547 A N -0.172 122.645 122.820 -0.006 0.000 2.500 547 A HA 0.051 4.371 4.320 -0.000 0.000 0.267 547 A C 1.643 179.227 177.584 -0.001 0.000 1.290 547 A CA -0.190 51.845 52.037 -0.003 0.000 0.928 547 A CB -0.160 18.841 19.000 0.001 0.000 1.066 547 A HN 0.530 nan 8.150 nan 0.000 0.516 548 C N -2.593 116.706 119.300 -0.002 0.000 3.097 548 C HA 0.428 4.888 4.460 -0.000 0.000 0.335 548 C C 1.917 176.907 174.990 -0.000 0.000 1.283 548 C CA 0.147 59.165 59.018 -0.000 0.000 1.778 548 C CB -1.012 26.728 27.740 0.000 0.000 2.365 548 C HN 0.401 nan 8.230 nan 0.000 0.627 549 L N 1.349 122.571 121.223 -0.002 0.000 2.022 549 L HA -0.059 4.281 4.340 -0.000 0.000 0.204 549 L C 3.009 179.879 176.870 0.001 0.000 1.076 549 L CA 1.878 56.718 54.840 -0.001 0.000 0.749 549 L CB -1.142 40.915 42.059 -0.003 0.000 0.903 549 L HN 0.300 nan 8.230 nan 0.000 0.439 550 Q N 0.696 120.495 119.800 -0.002 0.000 2.173 550 Q HA -0.261 4.079 4.340 -0.000 0.000 0.208 550 Q C 1.976 177.976 176.000 -0.001 0.000 0.989 550 Q CA 1.917 57.718 55.803 -0.004 0.000 0.872 550 Q CB -0.312 28.420 28.738 -0.010 0.000 0.909 550 Q HN 0.405 nan 8.270 nan 0.000 0.420 551 K N 0.940 121.340 120.400 -0.000 0.000 2.001 551 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 551 K C 1.927 178.530 176.600 0.006 0.000 1.048 551 K CA 1.105 57.394 56.287 0.002 0.000 0.932 551 K CB -0.705 31.796 32.500 0.002 0.000 0.715 551 K HN 0.112 nan 8.250 nan 0.000 0.437 552 L N 1.219 122.446 121.223 0.006 0.000 2.043 552 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 552 L C 2.282 179.160 176.870 0.012 0.000 1.075 552 L CA 1.586 56.431 54.840 0.008 0.000 0.752 552 L CB -0.491 41.572 42.059 0.007 0.000 0.891 552 L HN 0.237 nan 8.230 nan 0.000 0.432 553 K N -0.159 120.250 120.400 0.014 0.000 2.031 553 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 553 K C 2.216 178.832 176.600 0.026 0.000 1.049 553 K CA 1.249 57.550 56.287 0.023 0.000 0.939 553 K CB -0.630 31.884 32.500 0.024 0.000 0.717 553 K HN 0.361 nan 8.250 nan 0.000 0.438 554 G N 1.711 110.521 108.800 0.017 0.000 2.491 554 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 554 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 554 G C 1.508 176.420 174.900 0.021 0.000 1.180 554 G CA 1.769 46.878 45.100 0.016 0.000 0.774 554 G HN 0.250 nan 8.290 nan 0.000 0.562 555 T N 1.164 115.727 114.554 0.016 0.000 2.721 555 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 555 T C 2.536 177.248 174.700 0.020 0.000 1.038 555 T CA 1.988 64.097 62.100 0.015 0.000 1.145 555 T CB -0.753 68.123 68.868 0.012 0.000 0.858 555 T HN 0.392 nan 8.240 nan 0.000 0.459 556 T N 2.460 117.028 114.554 0.024 0.000 2.708 556 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 556 T C 1.973 176.693 174.700 0.034 0.000 1.037 556 T CA 1.222 63.338 62.100 0.027 0.000 1.146 556 T CB -0.304 68.583 68.868 0.031 0.000 0.865 556 T HN 0.574 nan 8.240 nan 0.000 0.435 557 E N 1.429 121.657 120.200 0.045 0.000 2.070 557 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 557 E C 2.346 178.973 176.600 0.044 0.000 1.004 557 E CA 1.142 57.577 56.400 0.058 0.000 0.805 557 E CB -0.613 29.133 29.700 0.077 0.000 0.744 557 E HN 0.403 nan 8.360 nan 0.000 0.451 558 L N 1.277 122.520 121.223 0.034 0.000 2.042 558 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 558 L C 1.583 178.466 176.870 0.022 0.000 1.076 558 L CA 0.869 55.724 54.840 0.026 0.000 0.749 558 L CB -0.304 41.767 42.059 0.019 0.000 0.893 558 L HN 0.056 nan 8.230 nan 0.000 0.432 559 L N 0.233 121.469 121.223 0.021 0.000 2.264 559 L HA 0.148 4.487 4.340 -0.000 0.000 0.187 559 L C -1.646 175.235 176.870 0.017 0.000 1.080 559 L CA -0.605 54.245 54.840 0.017 0.000 0.886 559 L CB -1.392 40.678 42.059 0.017 0.000 1.271 559 L HN 0.021 nan 8.230 nan 0.000 0.552 560 P HA -0.110 nan 4.420 nan 0.000 0.268 560 P C -0.621 176.689 177.300 0.017 0.000 1.171 560 P CA 1.184 64.291 63.100 0.012 0.000 0.761 560 P CB 0.069 31.775 31.700 0.010 0.000 0.786 561 K N -0.404 120.005 120.400 0.015 0.000 3.512 561 K HA -0.236 4.084 4.320 -0.000 0.000 0.309 561 K C 0.094 176.719 176.600 0.042 0.000 1.350 561 K CA 0.767 57.070 56.287 0.028 0.000 0.960 561 K CB -1.235 31.282 32.500 0.028 0.000 1.290 561 K HN 0.602 nan 8.250 nan 0.000 0.454 562 R N -3.578 116.938 120.500 0.026 0.000 4.229 562 R HA -0.131 4.209 4.340 -0.000 0.000 0.322 562 R C -2.833 173.493 176.300 0.042 0.000 0.276 562 R CA 0.005 56.121 56.100 0.027 0.000 1.068 562 R CB -1.125 29.188 30.300 0.023 0.000 1.230 562 R HN -0.056 nan 8.270 nan 0.000 0.437 563 P HA 0.010 nan 4.420 nan 0.000 0.251 563 P C 0.329 177.658 177.300 0.049 0.000 1.198 563 P CA 0.692 63.815 63.100 0.039 0.000 0.847 563 P CB 0.370 32.085 31.700 0.024 0.000 1.082 564 Q N -3.190 116.643 119.800 0.055 0.000 2.280 564 Q HA 0.079 4.419 4.340 -0.000 0.000 0.244 564 Q C 1.772 177.839 176.000 0.111 0.000 0.847 564 Q CA 0.169 56.010 55.803 0.063 0.000 0.945 564 Q CB -0.954 27.807 28.738 0.039 0.000 1.115 564 Q HN -0.010 nan 8.270 nan 0.000 0.513 565 H N 0.879 119.943 119.070 -0.009 0.000 2.319 565 H HA -0.003 4.553 4.556 -0.000 0.000 0.297 565 H C -0.226 175.090 175.328 -0.020 0.000 1.097 565 H CA 1.234 57.268 56.048 -0.024 0.000 1.285 565 H CB 0.003 29.742 29.762 -0.038 0.000 1.368 565 H HN 0.218 nan 8.280 nan 0.000 0.495 566 L N 1.494 122.779 121.223 0.102 0.000 2.343 566 L HA 0.260 4.600 4.340 -0.000 0.000 0.275 566 L C -1.373 175.546 176.870 0.082 0.000 1.056 566 L CA -1.715 53.163 54.840 0.063 0.000 0.804 566 L CB 0.886 42.997 42.059 0.087 0.000 1.203 566 L HN 0.034 nan 8.230 nan 0.000 0.440 567 P HA -0.039 nan 4.420 nan 0.000 0.244 567 P C 0.591 177.951 177.300 0.100 0.000 1.211 567 P CA 0.161 63.321 63.100 0.099 0.000 0.760 567 P CB 0.026 31.761 31.700 0.059 0.000 0.961 568 G N 0.079 108.908 108.800 0.048 0.000 2.255 568 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.267 568 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.267 568 G C 0.246 175.162 174.900 0.027 0.000 1.177 568 G CA 0.164 45.271 45.100 0.013 0.000 1.027 568 G HN 0.306 nan 8.290 nan 0.000 0.437 569 H N 2.088 121.147 119.070 -0.018 0.000 2.735 569 H HA 0.210 4.766 4.556 -0.000 0.000 0.250 569 H C -1.333 174.039 175.328 0.073 0.000 0.948 569 H CA 0.007 56.064 56.048 0.015 0.000 1.137 569 H CB 0.554 30.352 29.762 0.062 0.000 1.440 569 H HN 0.509 nan 8.280 nan 0.000 0.444 570 P HA 0.271 nan 4.420 nan 0.000 0.267 570 P C 0.272 177.630 177.300 0.096 0.000 1.201 570 P CA 1.080 64.302 63.100 0.204 0.000 0.775 570 P CB 1.799 33.576 31.700 0.129 0.000 0.854 571 G N -0.001 108.951 108.800 0.255 0.000 2.356 571 G HA2 0.403 4.363 3.960 -0.000 0.000 0.281 571 G HA3 0.403 4.363 3.960 -0.000 0.000 0.281 571 G C -2.012 173.095 174.900 0.344 0.000 1.246 571 G CA -0.579 44.532 45.100 0.019 0.000 0.889 571 G HN 0.529 nan 8.290 nan 0.000 0.486 572 W N -0.427 120.781 121.300 -0.153 0.000 3.079 572 W HA -0.140 4.520 4.660 -0.000 0.000 0.461 572 W C -0.638 175.914 176.519 0.055 0.000 1.853 572 W CA -0.690 56.597 57.345 -0.097 0.000 0.459 572 W CB -1.275 28.166 29.460 -0.032 0.000 2.859 572 W HN 0.648 nan 8.180 nan 0.000 0.416 573 Y N 3.883 124.296 120.300 0.188 0.000 2.537 573 Y HA 0.031 4.581 4.550 -0.000 0.000 0.339 573 Y C 1.874 177.857 175.900 0.138 0.000 1.066 573 Y CA -0.356 57.826 58.100 0.137 0.000 1.357 573 Y CB 0.611 39.136 38.460 0.109 0.000 1.175 573 Y HN 0.273 nan 8.280 nan 0.000 0.525 574 R N 1.444 122.115 120.500 0.285 0.000 2.154 574 R HA -0.197 4.143 4.340 -0.000 0.000 0.248 574 R C 0.648 177.016 176.300 0.114 0.000 1.155 574 R CA 0.998 57.198 56.100 0.166 0.000 0.979 574 R CB -0.219 30.153 30.300 0.120 0.000 0.869 574 R HN 0.353 nan 8.270 nan 0.000 0.452 575 K N 0.951 121.405 120.400 0.090 0.000 2.469 575 K HA -0.026 4.294 4.320 -0.000 0.000 0.274 575 K C 0.472 177.123 176.600 0.085 0.000 0.983 575 K CA -0.045 56.277 56.287 0.058 0.000 0.974 575 K CB 0.479 32.995 32.500 0.026 0.000 0.913 575 K HN -0.030 nan 8.250 nan 0.000 0.493 576 L N 3.449 124.711 121.223 0.065 0.000 2.583 576 L HA 0.351 4.691 4.340 -0.000 0.000 0.165 576 L C 0.148 177.059 176.870 0.067 0.000 1.560 576 L CA 0.183 55.064 54.840 0.068 0.000 3.120 576 L CB -0.529 41.558 42.059 0.047 0.000 2.974 576 L HN 0.763 nan 8.230 nan 0.000 0.955 577 C N 1.102 120.431 119.300 0.048 0.000 2.958 577 C HA -0.006 4.454 4.460 -0.000 0.000 0.335 577 C C -1.260 173.760 174.990 0.050 0.000 1.305 577 C CA 0.383 59.425 59.018 0.041 0.000 1.713 577 C CB -1.196 26.560 27.740 0.027 0.000 2.254 577 C HN 0.704 nan 8.230 nan 0.000 0.678 578 P HA -0.093 nan 4.420 nan 0.000 0.301 578 P C -0.249 177.095 177.300 0.073 0.000 1.445 578 P CA 0.736 63.868 63.100 0.054 0.000 0.741 578 P CB -0.508 31.209 31.700 0.029 0.000 1.426 579 R N 1.288 121.824 120.500 0.060 0.000 2.936 579 R HA -0.061 4.279 4.340 -0.000 0.000 0.361 579 R C 1.328 177.665 176.300 0.063 0.000 0.873 579 R CA -0.129 56.004 56.100 0.056 0.000 1.041 579 R CB -0.283 30.041 30.300 0.040 0.000 0.924 579 R HN 0.249 nan 8.270 nan 0.000 0.401 580 L N -1.121 120.161 121.223 0.098 0.000 2.711 580 L HA 0.186 4.526 4.340 -0.000 0.000 0.242 580 L C -0.061 176.802 176.870 -0.013 0.000 1.153 580 L CA 0.888 55.792 54.840 0.107 0.000 0.898 580 L CB -0.118 42.122 42.059 0.302 0.000 1.044 580 L HN 0.188 nan 8.230 nan 0.000 0.437 581 D N 0.666 121.051 120.400 -0.024 0.000 2.453 581 D HA 0.250 4.890 4.640 -0.000 0.000 0.238 581 D C -1.111 175.138 176.300 -0.086 0.000 1.088 581 D CA -0.097 53.856 54.000 -0.077 0.000 0.854 581 D CB 1.513 42.275 40.800 -0.063 0.000 1.076 581 D HN 0.199 nan 8.370 nan 0.000 0.533 582 D N 3.154 123.477 120.400 -0.128 0.000 2.461 582 D HA 0.283 4.923 4.640 -0.000 0.000 0.240 582 D C -2.180 174.032 176.300 -0.145 0.000 1.094 582 D CA -1.529 52.392 54.000 -0.132 0.000 0.868 582 D CB 1.180 41.878 40.800 -0.171 0.000 1.062 582 D HN 0.058 nan 8.370 nan 0.000 0.530 583 P HA 0.217 nan 4.420 nan 0.000 0.276 583 P C 0.099 177.363 177.300 -0.060 0.000 1.243 583 P CA -0.412 62.626 63.100 -0.103 0.000 0.768 583 P CB 1.908 33.582 31.700 -0.042 0.000 0.856 584 A N 3.760 126.495 122.820 -0.142 0.000 2.016 584 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 584 A C 0.722 178.674 177.584 0.613 0.000 1.162 584 A CA 0.308 52.353 52.037 0.014 0.000 0.662 584 A CB -0.418 18.304 19.000 -0.463 0.000 0.812 584 A HN 0.654 nan 8.150 nan 0.000 0.450 585 W N -1.259 120.012 121.300 -0.048 0.000 2.438 585 W HA 0.344 5.004 4.660 -0.000 0.000 0.324 585 W C 0.604 177.106 176.519 -0.029 0.000 1.119 585 W CA -0.890 56.432 57.345 -0.038 0.000 1.221 585 W CB 1.348 30.784 29.460 -0.039 0.000 1.253 585 W HN -0.070 nan 8.180 nan 0.000 0.555 586 T N 1.564 116.221 114.554 0.172 0.000 3.057 586 T HA 0.062 4.412 4.350 -0.000 0.000 0.254 586 T C -1.702 173.033 174.700 0.059 0.000 1.094 586 T CA -0.060 62.089 62.100 0.082 0.000 1.088 586 T CB -0.545 68.341 68.868 0.031 0.000 0.934 586 T HN 0.108 nan 8.240 nan 0.000 0.497 587 P HA 0.264 nan 4.420 nan 0.000 0.264 587 P C 0.604 177.935 177.300 0.053 0.000 1.193 587 P CA -0.001 63.113 63.100 0.024 0.000 0.763 587 P CB 0.260 31.966 31.700 0.010 0.000 0.810 588 G N 4.685 113.500 108.800 0.025 0.000 2.902 588 G HA2 0.007 3.967 3.960 -0.000 0.000 0.240 588 G HA3 0.007 3.967 3.960 -0.000 0.000 0.240 588 G C -1.836 173.071 174.900 0.011 0.000 1.244 588 G CA -0.705 44.411 45.100 0.026 0.000 0.862 588 G HN 0.550 nan 8.290 nan 0.000 0.603 589 P HA -0.161 nan 4.420 nan 0.000 0.015 589 P C -0.190 177.094 177.300 -0.027 0.000 0.515 589 P CA 1.531 64.609 63.100 -0.036 0.000 1.034 589 P CB -0.989 30.575 31.700 -0.227 0.000 1.905 590 S N 0.322 116.031 115.700 0.016 0.000 2.526 590 S HA 0.815 5.285 4.470 -0.000 0.000 0.293 590 S C -0.454 174.142 174.600 -0.007 0.000 1.092 590 S CA -1.088 57.112 58.200 0.000 0.000 0.980 590 S CB 2.276 65.489 63.200 0.021 0.000 1.048 590 S HN 0.194 nan 8.310 nan 0.000 0.483 591 L N 0.491 121.693 121.223 -0.035 0.000 2.549 591 L HA 0.496 4.836 4.340 -0.000 0.000 0.260 591 L C -0.269 176.555 176.870 -0.077 0.000 1.109 591 L CA -0.690 54.121 54.840 -0.049 0.000 0.900 591 L CB 0.242 42.275 42.059 -0.044 0.000 1.119 591 L HN 0.539 nan 8.230 nan 0.000 0.471 592 L N -0.058 121.108 121.223 -0.095 0.000 2.217 592 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 592 L C 2.465 179.251 176.870 -0.139 0.000 1.107 592 L CA 1.422 56.185 54.840 -0.128 0.000 0.783 592 L CB -1.242 40.712 42.059 -0.175 0.000 0.919 592 L HN 0.774 nan 8.230 nan 0.000 0.442 593 S N 0.221 115.852 115.700 -0.114 0.000 2.374 593 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 593 S C 1.881 176.477 174.600 -0.008 0.000 1.037 593 S CA 1.170 59.321 58.200 -0.080 0.000 1.024 593 S CB -0.255 62.957 63.200 0.020 0.000 0.861 593 S HN 0.391 nan 8.310 nan 0.000 0.456 594 L N 1.397 122.593 121.223 -0.046 0.000 2.549 594 L HA -0.076 4.264 4.340 -0.000 0.000 0.230 594 L C 2.209 179.126 176.870 0.079 0.000 1.162 594 L CA 1.101 55.899 54.840 -0.069 0.000 0.834 594 L CB -0.853 41.018 42.059 -0.314 0.000 0.947 594 L HN 0.561 nan 8.230 nan 0.000 0.452 595 Q N -1.428 118.377 119.800 0.008 0.000 2.481 595 Q HA 0.105 4.445 4.340 -0.000 0.000 0.219 595 Q C 0.839 176.815 176.000 -0.039 0.000 0.920 595 Q CA -0.211 55.597 55.803 0.009 0.000 0.915 595 Q CB 0.125 28.830 28.738 -0.054 0.000 1.057 595 Q HN 0.289 nan 8.270 nan 0.000 0.581 596 M N 2.776 122.266 119.600 -0.184 0.000 2.563 596 M HA -0.090 4.390 4.480 -0.000 0.000 0.423 596 M C 1.232 177.495 176.300 -0.062 0.000 1.706 596 M CA 0.709 55.785 55.300 -0.373 0.000 1.001 596 M CB -0.402 31.575 32.600 -1.038 0.000 2.123 596 M HN 0.265 nan 8.290 nan 0.000 0.494 597 R N 2.468 122.989 120.500 0.036 0.000 2.383 597 R HA -0.259 4.081 4.340 -0.000 0.000 0.213 597 R C 1.723 178.157 176.300 0.222 0.000 1.056 597 R CA 2.704 58.879 56.100 0.125 0.000 0.805 597 R CB -0.815 29.552 30.300 0.112 0.000 0.844 597 R HN 0.629 nan 8.270 nan 0.000 0.417 598 V N 0.238 120.276 119.914 0.207 0.000 2.363 598 V HA -0.468 3.652 4.120 -0.000 0.000 0.256 598 V C 2.129 178.178 176.094 -0.074 0.000 1.123 598 V CA 2.677 64.894 62.300 -0.138 0.000 1.108 598 V CB -1.475 29.974 31.823 -0.622 0.000 0.843 598 V HN 0.702 nan 8.190 nan 0.000 0.461 599 T N -0.166 114.528 114.554 0.234 0.000 3.012 599 T HA -0.257 4.093 4.350 -0.000 0.000 0.243 599 T C -0.155 174.613 174.700 0.112 0.000 1.045 599 T CA 2.630 64.858 62.100 0.213 0.000 1.158 599 T CB -1.363 67.717 68.868 0.352 0.000 0.802 599 T HN 0.719 nan 8.240 nan 0.000 0.506 600 P HA 0.303 nan 4.420 nan 0.000 0.275 600 P C 0.465 177.798 177.300 0.055 0.000 1.310 600 P CA 0.389 63.536 63.100 0.080 0.000 0.904 600 P CB 0.289 31.998 31.700 0.015 0.000 1.381 601 K N -0.305 120.040 120.400 -0.092 0.000 2.314 601 K HA 0.145 4.465 4.320 -0.000 0.000 0.198 601 K C 1.762 178.244 176.600 -0.196 0.000 1.045 601 K CA 0.787 56.958 56.287 -0.194 0.000 0.988 601 K CB -0.391 31.933 32.500 -0.294 0.000 0.783 601 K HN 0.128 nan 8.250 nan 0.000 0.484 602 L N -0.434 120.688 121.223 -0.168 0.000 2.189 602 L HA 0.165 4.505 4.340 -0.000 0.000 0.199 602 L C 0.965 177.817 176.870 -0.030 0.000 1.074 602 L CA 0.468 55.218 54.840 -0.149 0.000 0.783 602 L CB -0.394 41.530 42.059 -0.225 0.000 0.955 602 L HN 0.033 nan 8.230 nan 0.000 0.460 603 M N 2.219 121.829 119.600 0.017 0.000 3.102 603 M HA 0.134 4.614 4.480 -0.000 0.000 0.269 603 M C 0.280 176.646 176.300 0.110 0.000 1.551 603 M CA -0.334 55.004 55.300 0.064 0.000 1.629 603 M CB -0.280 32.393 32.600 0.121 0.000 1.324 603 M HN 0.247 nan 8.290 nan 0.000 0.509 604 A N 4.292 127.176 122.820 0.107 0.000 2.515 604 A HA 0.027 4.347 4.320 -0.000 0.000 0.276 604 A C 0.907 178.283 177.584 -0.347 0.000 1.104 604 A CA 0.382 52.492 52.037 0.121 0.000 0.822 604 A CB -0.282 18.754 19.000 0.060 0.000 1.016 604 A HN 0.966 nan 8.150 nan 0.000 0.530 605 L N 1.967 122.834 121.223 -0.592 0.000 2.638 605 L HA 0.121 4.461 4.340 -0.000 0.000 0.232 605 L C 1.193 177.620 176.870 -0.737 0.000 1.099 605 L CA 0.360 54.930 54.840 -0.450 0.000 0.883 605 L CB 0.210 42.269 42.059 -0.001 0.000 1.136 605 L HN 0.688 nan 8.230 nan 0.000 0.492 606 T N -2.147 111.755 114.554 -1.088 0.000 2.940 606 T HA 0.299 4.649 4.350 -0.000 0.000 0.288 606 T C -0.242 174.062 174.700 -0.660 0.000 1.045 606 T CA -0.357 61.205 62.100 -0.898 0.000 1.018 606 T CB 1.744 69.996 68.868 -1.027 0.000 1.151 606 T HN 0.117 nan 8.240 nan 0.000 0.529 607 W N 0.136 121.404 121.300 -0.053 0.000 3.705 607 W HA 0.179 4.839 4.660 -0.000 0.000 0.224 607 W C 0.299 176.599 176.519 -0.364 0.000 0.882 607 W CA 0.013 57.307 57.345 -0.085 0.000 2.321 607 W CB -0.016 29.460 29.460 0.028 0.000 1.107 607 W HN 0.943 nan 8.180 nan 0.000 0.692 608 D N -1.070 119.079 120.400 -0.417 0.000 5.134 608 D HA -0.234 4.406 4.640 -0.000 0.000 0.314 608 D C 1.079 176.849 176.300 -0.883 0.000 2.492 608 D CA 0.970 53.849 54.000 -1.869 0.000 1.177 608 D CB -1.340 37.584 40.800 -3.127 0.000 1.155 608 D HN 0.359 nan 8.370 nan 0.000 1.318 609 G N -0.487 107.844 108.800 -0.783 0.000 3.086 609 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.290 609 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.290 609 G C 1.045 175.291 174.900 -1.091 0.000 1.055 609 G CA 2.034 46.762 45.100 -0.621 0.000 0.824 609 G HN 0.909 nan 8.290 nan 0.000 0.953 610 F N -0.262 119.622 119.950 -0.110 0.000 3.142 610 F HA 0.255 4.782 4.527 -0.000 0.000 0.376 610 F C -2.231 173.522 175.800 -0.078 0.000 1.161 610 F CA -0.525 57.429 58.000 -0.077 0.000 0.988 610 F CB 1.461 40.433 39.000 -0.048 0.000 1.457 610 F HN 0.234 nan 8.300 nan 0.000 0.516 611 P HA 0.281 nan 4.420 nan 0.000 0.287 611 P C -1.109 176.001 177.300 -0.317 0.000 1.221 611 P CA -0.210 62.790 63.100 -0.166 0.000 0.743 611 P CB 0.833 32.414 31.700 -0.198 0.000 1.910 612 L N 0.338 121.307 121.223 -0.424 0.000 4.597 612 L HA -0.212 4.128 4.340 -0.000 0.000 0.573 612 L C 0.476 177.283 176.870 -0.106 0.000 0.951 612 L CA 0.763 55.432 54.840 -0.286 0.000 0.522 612 L CB -3.105 38.709 42.059 -0.408 0.000 0.470 612 L HN 0.451 nan 8.230 nan 0.000 1.134 613 H N 3.138 122.102 119.070 -0.177 0.000 2.803 613 H HA 0.179 4.735 4.556 -0.000 0.000 0.330 613 H C 0.702 175.957 175.328 -0.121 0.000 1.057 613 H CA -0.490 55.412 56.048 -0.243 0.000 1.458 613 H CB 0.460 30.127 29.762 -0.159 0.000 1.470 613 H HN 0.469 nan 8.280 nan 0.000 0.560 614 Y N 2.208 122.706 120.300 0.331 0.000 2.942 614 Y HA -0.080 4.470 4.550 -0.000 0.000 0.522 614 Y C 0.913 176.856 175.900 0.071 0.000 1.333 614 Y CA 0.162 58.359 58.100 0.163 0.000 2.218 614 Y CB -0.011 38.447 38.460 -0.003 0.000 1.770 614 Y HN 0.428 nan 8.280 nan 0.000 0.698 615 S N -1.252 114.617 115.700 0.282 0.000 2.560 615 S HA 0.116 4.586 4.470 -0.000 0.000 0.283 615 S C -1.837 172.802 174.600 0.064 0.000 1.141 615 S CA -1.091 57.172 58.200 0.104 0.000 0.902 615 S CB 0.924 64.190 63.200 0.111 0.000 1.104 615 S HN 0.437 nan 8.310 nan 0.000 0.454 616 E N 2.640 122.837 120.200 -0.005 0.000 2.585 616 E HA 0.127 4.477 4.350 -0.000 0.000 0.252 616 E C -0.208 176.307 176.600 -0.141 0.000 0.981 616 E CA -0.051 56.296 56.400 -0.088 0.000 0.943 616 E CB -0.296 29.374 29.700 -0.050 0.000 0.923 616 E HN 0.640 nan 8.360 nan 0.000 0.486 617 R N 0.721 121.031 120.500 -0.318 0.000 3.525 617 R HA -0.270 4.070 4.340 -0.000 0.000 0.276 617 R C 0.052 176.171 176.300 -0.302 0.000 1.116 617 R CA 1.263 57.150 56.100 -0.356 0.000 0.745 617 R CB -2.302 27.843 30.300 -0.259 0.000 1.185 617 R HN 0.810 nan 8.270 nan 0.000 0.454 618 H N -2.058 116.796 119.070 -0.360 0.000 3.541 618 H HA 0.375 4.931 4.556 -0.000 0.000 0.121 618 H C 0.678 175.814 175.328 -0.320 0.000 1.206 618 H CA 1.002 56.888 56.048 -0.270 0.000 1.090 618 H CB 0.974 30.667 29.762 -0.114 0.000 0.943 618 H HN 0.271 nan 8.280 nan 0.000 0.220 619 G N -0.516 108.287 108.800 0.005 0.000 2.766 619 G HA2 0.448 4.408 3.960 -0.000 0.000 0.288 619 G HA3 0.448 4.408 3.960 -0.000 0.000 0.288 619 G C -1.767 173.309 174.900 0.292 0.000 1.408 619 G CA -0.489 44.555 45.100 -0.093 0.000 0.852 619 G HN 0.221 nan 8.290 nan 0.000 0.487 620 W N -0.749 120.817 121.300 0.442 0.000 2.761 620 W HA 0.756 5.416 4.660 -0.000 0.000 0.340 620 W C 0.064 176.774 176.519 0.317 0.000 1.072 620 W CA -2.687 54.854 57.345 0.327 0.000 1.215 620 W CB 1.075 30.539 29.460 0.008 0.000 1.420 620 W HN 0.823 nan 8.180 nan 0.000 0.519 621 G N 2.037 111.040 108.800 0.337 0.000 2.415 621 G HA2 0.496 4.456 3.960 -0.000 0.000 0.317 621 G HA3 0.496 4.456 3.960 -0.000 0.000 0.317 621 G C -1.172 173.714 174.900 -0.023 0.000 1.152 621 G CA -0.553 44.651 45.100 0.173 0.000 0.956 621 G HN 0.387 nan 8.290 nan 0.000 0.458 622 Y N 0.956 121.258 120.300 0.004 0.000 2.279 622 Y HA 0.140 4.690 4.550 -0.000 0.000 0.350 622 Y C 1.799 177.686 175.900 -0.020 0.000 1.288 622 Y CA -0.219 57.829 58.100 -0.087 0.000 1.547 622 Y CB 0.932 39.245 38.460 -0.246 0.000 1.381 622 Y HN 0.515 nan 8.280 nan 0.000 0.630 623 L N -0.511 120.828 121.223 0.192 0.000 2.862 623 L HA 0.352 4.692 4.340 -0.000 0.000 0.240 623 L C -0.781 176.149 176.870 0.101 0.000 1.283 623 L CA -0.187 54.724 54.840 0.118 0.000 1.117 623 L CB -0.670 41.446 42.059 0.095 0.000 1.444 623 L HN 0.235 nan 8.230 nan 0.000 0.456 624 V N 3.593 123.574 119.914 0.112 0.000 2.229 624 V HA 0.161 4.281 4.120 -0.000 0.000 0.245 624 V C -1.255 174.886 176.094 0.079 0.000 1.243 624 V CA -0.929 61.425 62.300 0.091 0.000 1.176 624 V CB -0.135 31.751 31.823 0.105 0.000 1.323 624 V HN 0.434 nan 8.190 nan 0.000 0.499 625 P HA -0.045 nan 4.420 nan 0.000 0.292 625 P C 1.294 178.621 177.300 0.045 0.000 1.493 625 P CA 1.267 64.397 63.100 0.050 0.000 0.786 625 P CB -0.240 31.484 31.700 0.040 0.000 1.716 626 G N 2.675 111.509 108.800 0.057 0.000 2.693 626 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.354 626 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.354 626 G C 0.428 175.353 174.900 0.041 0.000 1.207 626 G CA 1.771 46.903 45.100 0.054 0.000 0.958 626 G HN 0.826 nan 8.290 nan 0.000 0.560 627 R N -0.565 119.954 120.500 0.031 0.000 3.078 627 R HA -0.052 4.288 4.340 -0.000 0.000 0.264 627 R C 0.125 176.442 176.300 0.028 0.000 1.049 627 R CA 2.709 58.822 56.100 0.023 0.000 0.689 627 R CB -2.101 28.213 30.300 0.023 0.000 1.286 627 R HN 2.666 nan 8.270 nan 0.000 0.390 628 R N -1.448 119.069 120.500 0.029 0.000 4.153 628 R HA 0.078 4.418 4.340 -0.000 0.000 0.215 628 R C -0.353 175.977 176.300 0.049 0.000 0.827 628 R CA -0.193 55.928 56.100 0.036 0.000 0.721 628 R CB -1.066 29.260 30.300 0.044 0.000 1.414 628 R HN 0.269 nan 8.270 nan 0.000 0.454 629 D N -0.032 120.407 120.400 0.065 0.000 3.958 629 D HA -0.289 4.351 4.640 -0.000 0.000 0.210 629 D C -0.349 175.987 176.300 0.059 0.000 1.329 629 D CA 2.587 56.639 54.000 0.087 0.000 2.355 629 D CB -0.829 40.030 40.800 0.098 0.000 1.233 629 D HN 0.623 nan 8.370 nan 0.000 0.407 630 N N 0.076 118.799 118.700 0.038 0.000 2.511 630 N HA 0.442 5.182 4.740 -0.000 0.000 0.249 630 N C -0.263 175.241 175.510 -0.011 0.000 0.971 630 N CA -0.364 52.691 53.050 0.010 0.000 0.938 630 N CB 0.448 38.945 38.487 0.017 0.000 1.131 630 N HN 0.199 nan 8.380 nan 0.000 0.505 631 L N 2.854 124.056 121.223 -0.035 0.000 2.709 631 L HA 0.502 4.842 4.340 -0.000 0.000 0.236 631 L C 0.408 177.243 176.870 -0.059 0.000 1.266 631 L CA -0.869 53.949 54.840 -0.037 0.000 0.987 631 L CB 0.737 42.776 42.059 -0.034 0.000 1.306 631 L HN 0.413 nan 8.230 nan 0.000 0.467 632 A N 1.657 124.443 122.820 -0.057 0.000 2.898 632 A HA 0.133 4.453 4.320 -0.000 0.000 0.288 632 A C 0.741 178.295 177.584 -0.051 0.000 1.771 632 A CA -0.081 51.916 52.037 -0.066 0.000 1.383 632 A CB -0.611 18.357 19.000 -0.053 0.000 1.028 632 A HN 0.638 nan 8.150 nan 0.000 0.595 633 K N 1.459 121.825 120.400 -0.057 0.000 2.604 633 K HA -0.077 4.243 4.320 -0.000 0.000 0.278 633 K C 0.577 177.158 176.600 -0.033 0.000 0.975 633 K CA -0.127 56.133 56.287 -0.044 0.000 1.066 633 K CB 0.315 32.785 32.500 -0.050 0.000 0.840 633 K HN 0.614 nan 8.250 nan 0.000 0.491 634 L N 3.680 124.888 121.223 -0.026 0.000 2.811 634 L HA -0.107 4.233 4.340 -0.000 0.000 0.304 634 L C -1.926 174.932 176.870 -0.019 0.000 1.227 634 L CA -0.111 54.717 54.840 -0.020 0.000 0.880 634 L CB -0.191 41.858 42.059 -0.018 0.000 1.169 634 L HN 0.507 nan 8.230 nan 0.000 0.498 635 P HA 0.104 nan 4.420 nan 0.000 0.273 635 P C 0.616 177.909 177.300 -0.012 0.000 1.258 635 P CA 0.471 63.563 63.100 -0.013 0.000 0.802 635 P CB 0.412 32.105 31.700 -0.011 0.000 1.040 636 T N -0.921 113.627 114.554 -0.011 0.000 13.950 636 T HA -0.296 4.054 4.350 -0.000 0.000 0.419 636 T C 1.510 176.204 174.700 -0.011 0.000 1.441 636 T CA 1.937 64.031 62.100 -0.010 0.000 2.339 636 T CB -2.191 66.672 68.868 -0.009 0.000 2.770 636 T HN 0.626 nan 8.240 nan 0.000 0.374 637 G N 0.576 109.369 108.800 -0.012 0.000 2.514 637 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 637 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 637 G C 1.399 176.289 174.900 -0.016 0.000 1.198 637 G CA 2.312 47.405 45.100 -0.013 0.000 0.780 637 G HN 0.829 nan 8.290 nan 0.000 0.565 638 T N -0.062 114.481 114.554 -0.019 0.000 3.129 638 T HA 0.122 4.472 4.350 -0.000 0.000 0.251 638 T C 2.186 176.872 174.700 -0.023 0.000 1.117 638 T CA 1.095 63.181 62.100 -0.024 0.000 1.034 638 T CB 0.227 69.077 68.868 -0.030 0.000 0.968 638 T HN 0.206 nan 8.240 nan 0.000 0.526 639 T N 2.140 116.683 114.554 -0.019 0.000 2.978 639 T HA 0.229 4.579 4.350 -0.000 0.000 0.262 639 T C 1.840 176.532 174.700 -0.014 0.000 1.063 639 T CA 0.421 62.511 62.100 -0.017 0.000 1.140 639 T CB -0.193 68.667 68.868 -0.014 0.000 0.886 639 T HN 0.299 nan 8.240 nan 0.000 0.470 640 L N 0.750 121.965 121.223 -0.013 0.000 2.109 640 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 640 L C 2.431 179.294 176.870 -0.011 0.000 1.086 640 L CA 1.259 56.092 54.840 -0.011 0.000 0.760 640 L CB -0.511 41.542 42.059 -0.010 0.000 0.910 640 L HN 0.289 nan 8.230 nan 0.000 0.437 641 E N -0.107 120.084 120.200 -0.014 0.000 2.409 641 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 641 E C 1.568 178.159 176.600 -0.015 0.000 1.024 641 E CA 1.143 57.534 56.400 -0.016 0.000 0.861 641 E CB 0.069 29.756 29.700 -0.022 0.000 0.788 641 E HN 0.488 nan 8.360 nan 0.000 0.521 642 S N -1.006 114.685 115.700 -0.015 0.000 2.629 642 S HA 0.440 4.910 4.470 -0.000 0.000 0.236 642 S C 1.350 175.946 174.600 -0.006 0.000 1.010 642 S CA -0.016 58.177 58.200 -0.012 0.000 0.981 642 S CB 0.802 63.990 63.200 -0.021 0.000 0.919 642 S HN 0.210 nan 8.310 nan 0.000 0.514 643 A N 2.642 125.458 122.820 -0.006 0.000 2.404 643 A HA 0.285 4.605 4.320 -0.000 0.000 0.189 643 A C 2.126 179.708 177.584 -0.003 0.000 1.145 643 A CA 1.585 53.619 52.037 -0.005 0.000 0.839 643 A CB -1.580 17.417 19.000 -0.006 0.000 0.848 643 A HN 0.680 nan 8.150 nan 0.000 0.545 644 G N -2.456 106.342 108.800 -0.004 0.000 2.492 644 G HA2 0.269 4.229 3.960 -0.000 0.000 0.214 644 G HA3 0.269 4.229 3.960 -0.000 0.000 0.214 644 G C 0.600 175.501 174.900 0.001 0.000 1.147 644 G CA 0.832 45.929 45.100 -0.004 0.000 0.809 644 G HN 1.111 nan 8.290 nan 0.000 0.533 645 V N 0.935 120.849 119.914 0.001 0.000 5.678 645 V HA -0.228 3.892 4.120 -0.000 0.000 0.205 645 V C 0.752 176.856 176.094 0.015 0.000 0.703 645 V CA 0.706 63.009 62.300 0.005 0.000 0.545 645 V CB -1.834 29.991 31.823 0.003 0.000 0.202 645 V HN 1.031 nan 8.190 nan 0.000 0.481 646 V N 0.046 119.968 119.914 0.013 0.000 3.760 646 V HA -0.250 3.870 4.120 -0.000 0.000 0.535 646 V C 1.298 177.418 176.094 0.043 0.000 0.682 646 V CA 0.179 62.493 62.300 0.023 0.000 2.097 646 V CB -1.850 29.988 31.823 0.026 0.000 2.497 646 V HN 1.715 nan 8.190 nan 0.000 0.518 647 C N 2.639 121.967 119.300 0.047 0.000 0.168 647 C HA -0.154 4.306 4.460 -0.000 0.000 0.017 647 C C 0.209 175.235 174.990 0.059 0.000 0.171 647 C CA 1.312 60.370 59.018 0.067 0.000 0.499 647 C CB -0.834 26.991 27.740 0.141 0.000 3.212 647 C HN 1.224 nan 8.230 nan 0.000 1.118 648 P HA 0.077 nan 4.420 nan 0.000 0.251 648 P C 1.028 178.396 177.300 0.114 0.000 1.198 648 P CA 1.342 64.450 63.100 0.014 0.000 0.847 648 P CB -0.053 31.592 31.700 -0.091 0.000 1.082 649 Y N 0.515 120.848 120.300 0.054 0.000 2.457 649 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 649 Y C 2.766 178.723 175.900 0.094 0.000 1.125 649 Y CA 0.219 58.375 58.100 0.094 0.000 1.254 649 Y CB 0.313 38.822 38.460 0.082 0.000 1.012 649 Y HN -0.162 nan 8.280 nan 0.000 0.555 650 R N -0.410 120.213 120.500 0.206 0.000 2.265 650 R HA 0.113 4.453 4.340 -0.000 0.000 0.194 650 R C 1.994 178.349 176.300 0.092 0.000 0.931 650 R CA 0.752 56.913 56.100 0.101 0.000 1.032 650 R CB 0.080 30.413 30.300 0.055 0.000 0.980 650 R HN 0.154 nan 8.270 nan 0.000 0.497 651 A N 0.244 123.132 122.820 0.112 0.000 2.123 651 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 651 A C 1.812 179.484 177.584 0.146 0.000 1.152 651 A CA 0.531 52.623 52.037 0.091 0.000 0.728 651 A CB -0.108 18.934 19.000 0.069 0.000 0.814 651 A HN 0.287 nan 8.150 nan 0.000 0.464 652 I N -1.217 119.493 120.570 0.232 0.000 2.400 652 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 652 I C 2.504 178.916 176.117 0.491 0.000 1.109 652 I CA 0.695 62.219 61.300 0.373 0.000 1.425 652 I CB -0.044 38.309 38.000 0.589 0.000 1.094 652 I HN 0.226 nan 8.210 nan 0.000 0.425 653 E N 0.769 121.122 120.200 0.255 0.000 2.086 653 E HA -0.286 4.064 4.350 -0.000 0.000 0.200 653 E C 2.263 178.884 176.600 0.035 0.000 1.012 653 E CA 1.949 58.274 56.400 -0.125 0.000 0.812 653 E CB -0.317 29.250 29.700 -0.221 0.000 0.743 653 E HN 0.380 nan 8.360 nan 0.000 0.453 654 S N -0.137 115.602 115.700 0.064 0.000 2.370 654 S HA -0.133 4.337 4.470 -0.000 0.000 0.226 654 S C 2.176 176.812 174.600 0.061 0.000 1.033 654 S CA 1.104 59.325 58.200 0.035 0.000 1.011 654 S CB -0.294 62.925 63.200 0.033 0.000 0.852 654 S HN 0.255 nan 8.310 nan 0.000 0.457 655 L N -0.122 121.212 121.223 0.185 0.000 1.934 655 L HA -0.191 4.149 4.340 -0.000 0.000 0.227 655 L C 2.373 179.329 176.870 0.145 0.000 1.084 655 L CA 2.579 57.565 54.840 0.243 0.000 0.790 655 L CB -1.569 40.679 42.059 0.315 0.000 0.896 655 L HN 0.377 nan 8.230 nan 0.000 0.437 656 Y N -0.019 120.363 120.300 0.137 0.000 2.226 656 Y HA -0.421 4.129 4.550 -0.000 0.000 0.259 656 Y C 2.894 178.509 175.900 -0.475 0.000 1.310 656 Y CA 2.058 60.196 58.100 0.063 0.000 1.067 656 Y CB -0.578 37.892 38.460 0.017 0.000 0.876 656 Y HN 0.225 nan 8.280 nan 0.000 0.519 657 R N -0.169 120.205 120.500 -0.211 0.000 2.075 657 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 657 R C 2.154 178.261 176.300 -0.322 0.000 1.114 657 R CA 1.142 57.096 56.100 -0.242 0.000 0.972 657 R CB -0.289 29.944 30.300 -0.113 0.000 0.869 657 R HN 0.364 nan 8.270 nan 0.000 0.437 658 K N 0.612 120.803 120.400 -0.349 0.000 1.991 658 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 658 K C 2.086 178.602 176.600 -0.139 0.000 1.049 658 K CA 2.235 58.415 56.287 -0.179 0.000 0.932 658 K CB -0.409 32.049 32.500 -0.070 0.000 0.717 658 K HN 0.472 nan 8.250 nan 0.000 0.441 659 H N -0.004 119.081 119.070 0.025 0.000 2.456 659 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 659 H C 2.403 177.738 175.328 0.012 0.000 1.079 659 H CA 1.183 57.237 56.048 0.009 0.000 1.322 659 H CB -1.335 28.423 29.762 -0.007 0.000 1.388 659 H HN 0.440 nan 8.280 nan 0.000 0.538 660 C N 1.406 120.684 119.300 -0.037 0.000 2.318 660 C HA -0.239 4.221 4.460 -0.000 0.000 0.272 660 C C 2.556 177.572 174.990 0.042 0.000 1.156 660 C CA 1.387 60.429 59.018 0.040 0.000 1.783 660 C CB -1.399 26.312 27.740 -0.048 0.000 2.023 660 C HN 0.652 nan 8.230 nan 0.000 0.437 661 L N 1.967 123.195 121.223 0.009 0.000 1.970 661 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 661 L C 2.850 179.740 176.870 0.034 0.000 1.071 661 L CA 2.561 57.411 54.840 0.018 0.000 0.751 661 L CB -1.748 40.314 42.059 0.005 0.000 0.889 661 L HN 0.510 nan 8.230 nan 0.000 0.432 662 E N -0.116 120.108 120.200 0.040 0.000 2.055 662 E HA -0.338 4.012 4.350 -0.000 0.000 0.209 662 E C 2.037 178.668 176.600 0.052 0.000 1.036 662 E CA 1.933 58.362 56.400 0.049 0.000 0.849 662 E CB -0.637 29.101 29.700 0.063 0.000 0.767 662 E HN 0.642 nan 8.360 nan 0.000 0.461 663 Q N -0.093 119.745 119.800 0.064 0.000 2.133 663 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 663 Q C 2.329 178.353 176.000 0.041 0.000 0.991 663 Q CA 1.500 57.333 55.803 0.050 0.000 0.867 663 Q CB -0.559 28.206 28.738 0.046 0.000 0.911 663 Q HN 0.465 nan 8.270 nan 0.000 0.417 664 G N 1.208 110.034 108.800 0.044 0.000 2.503 664 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 664 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 664 G C 1.353 176.276 174.900 0.037 0.000 1.131 664 G CA 0.837 45.962 45.100 0.042 0.000 0.756 664 G HN 0.212 nan 8.290 nan 0.000 0.572 665 K N -0.281 120.141 120.400 0.036 0.000 2.057 665 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 665 K C 2.549 179.171 176.600 0.037 0.000 1.050 665 K CA 0.855 57.162 56.287 0.033 0.000 0.935 665 K CB -0.208 32.311 32.500 0.032 0.000 0.715 665 K HN 0.278 nan 8.250 nan 0.000 0.439 666 Q N 0.635 120.460 119.800 0.042 0.000 2.443 666 Q HA -0.169 4.171 4.340 -0.000 0.000 0.213 666 Q C 1.834 177.863 176.000 0.048 0.000 0.982 666 Q CA 1.184 57.017 55.803 0.050 0.000 0.894 666 Q CB 0.215 28.985 28.738 0.054 0.000 0.947 666 Q HN 0.452 nan 8.270 nan 0.000 0.480 667 Q N -0.269 119.555 119.800 0.039 0.000 1.990 667 Q HA -0.028 4.312 4.340 -0.000 0.000 0.195 667 Q C 2.304 178.327 176.000 0.039 0.000 0.977 667 Q CA 0.283 56.112 55.803 0.042 0.000 0.828 667 Q CB -0.295 28.472 28.738 0.048 0.000 0.896 667 Q HN 0.274 nan 8.270 nan 0.000 0.447 668 L N 1.006 122.248 121.223 0.032 0.000 1.991 668 L HA -0.161 4.179 4.340 -0.000 0.000 0.221 668 L C 1.798 178.677 176.870 0.016 0.000 1.079 668 L CA 1.456 56.308 54.840 0.020 0.000 0.778 668 L CB -0.937 41.134 42.059 0.019 0.000 0.893 668 L HN 0.446 nan 8.230 nan 0.000 0.437 669 M N -0.574 119.041 119.600 0.025 0.000 2.209 669 M HA 0.288 4.768 4.480 -0.000 0.000 0.355 669 M C -2.078 174.249 176.300 0.045 0.000 1.171 669 M CA -1.700 53.617 55.300 0.029 0.000 1.069 669 M CB 1.757 34.377 32.600 0.032 0.000 1.622 669 M HN -0.276 nan 8.290 nan 0.000 0.459 670 P HA -0.064 nan 4.420 nan 0.000 0.226 670 P C -0.077 177.222 177.300 -0.003 0.000 1.161 670 P CA 0.633 63.752 63.100 0.032 0.000 0.804 670 P CB 0.013 31.743 31.700 0.049 0.000 0.829 671 Q N 0.560 120.354 119.800 -0.010 0.000 2.372 671 Q HA -0.210 4.130 4.340 -0.000 0.000 0.333 671 Q C -0.091 175.863 176.000 -0.077 0.000 1.285 671 Q CA 1.376 57.152 55.803 -0.045 0.000 0.983 671 Q CB -2.276 26.447 28.738 -0.026 0.000 1.229 671 Q HN 0.606 nan 8.270 nan 0.000 0.442 672 E N -2.359 117.785 120.200 -0.093 0.000 2.675 672 E HA 0.506 4.856 4.350 -0.000 0.000 0.388 672 E C -1.220 175.299 176.600 -0.135 0.000 1.064 672 E CA 0.400 56.734 56.400 -0.110 0.000 0.749 672 E CB -0.114 29.547 29.700 -0.065 0.000 1.534 672 E HN 0.323 nan 8.360 nan 0.000 0.388 710 A N 1.634 124.468 122.820 0.025 0.000 1.513 710 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 710 A C 0.638 178.242 177.584 0.032 0.000 1.177 710 A CA 1.183 53.238 52.037 0.029 0.000 0.766 710 A CB -0.649 18.369 19.000 0.030 0.000 1.132 710 A HN 0.496 nan 8.150 nan 0.000 0.213 711 A N 2.934 125.775 122.820 0.035 0.000 3.245 711 A HA 0.581 4.901 4.320 -0.000 0.000 0.282 711 A C 1.266 178.880 177.584 0.049 0.000 1.417 711 A CA 0.380 52.441 52.037 0.040 0.000 1.149 711 A CB -0.392 18.630 19.000 0.036 0.000 1.155 711 A HN 2.220 nan 8.150 nan 0.000 0.602 712 V N -0.880 119.064 119.914 0.051 0.000 0.821 712 V HA -0.129 3.991 4.120 -0.000 0.000 0.118 712 V C -2.149 173.983 176.094 0.063 0.000 2.758 712 V CA 1.481 63.818 62.300 0.061 0.000 3.700 712 V CB -1.530 30.340 31.823 0.078 0.000 1.179 712 V HN 0.752 nan 8.190 nan 0.000 1.167 713 P HA 0.513 nan 4.420 nan 0.000 0.267 713 P C 0.534 177.879 177.300 0.075 0.000 1.804 713 P CA 1.007 64.155 63.100 0.080 0.000 1.191 713 P CB 0.727 32.477 31.700 0.082 0.000 1.901 714 G N 0.235 109.068 108.800 0.056 0.000 2.759 714 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.197 714 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.197 714 G C 0.440 175.363 174.900 0.038 0.000 1.067 714 G CA 0.150 45.279 45.100 0.050 0.000 0.742 714 G HN 0.366 nan 8.290 nan 0.000 0.651 715 Q N 1.556 121.363 119.800 0.011 0.000 2.409 715 Q HA 0.169 4.509 4.340 -0.000 0.000 0.240 715 Q C -1.476 174.480 176.000 -0.072 0.000 1.226 715 Q CA -1.566 54.217 55.803 -0.033 0.000 0.895 715 Q CB 1.061 29.765 28.738 -0.056 0.000 1.491 715 Q HN 0.070 nan 8.270 nan 0.000 0.509 716 P HA -0.316 nan 4.420 nan 0.000 0.225 716 P C 0.767 177.913 177.300 -0.258 0.000 1.154 716 P CA 1.799 64.830 63.100 -0.114 0.000 0.933 716 P CB -0.028 31.623 31.700 -0.081 0.000 0.790 717 L N -2.227 118.792 121.223 -0.340 0.000 2.137 717 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 717 L C 2.382 179.096 176.870 -0.259 0.000 1.085 717 L CA 1.978 56.573 54.840 -0.409 0.000 0.760 717 L CB -1.753 39.951 42.059 -0.591 0.000 0.893 717 L HN -0.043 nan 8.230 nan 0.000 0.434 718 A N 1.101 123.812 122.820 -0.181 0.000 2.015 718 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 718 A C 2.226 179.776 177.584 -0.057 0.000 1.163 718 A CA 1.532 53.517 52.037 -0.087 0.000 0.646 718 A CB -0.530 18.456 19.000 -0.023 0.000 0.806 718 A HN 0.490 nan 8.150 nan 0.000 0.448 719 L N -1.412 119.710 121.223 -0.168 0.000 1.924 719 L HA -0.080 4.260 4.340 -0.000 0.000 0.222 719 L C 1.047 177.812 176.870 -0.175 0.000 1.081 719 L CA 2.675 57.355 54.840 -0.266 0.000 0.780 719 L CB -1.446 39.956 42.059 -1.096 0.000 0.891 719 L HN 0.056 nan 8.230 nan 0.000 0.434 720 T N 1.174 115.588 114.554 -0.233 0.000 3.438 720 T HA 0.773 5.123 4.350 -0.000 0.000 0.244 720 T C 0.120 174.787 174.700 -0.055 0.000 1.269 720 T CA 0.010 62.038 62.100 -0.120 0.000 1.371 720 T CB -0.015 68.754 68.868 -0.165 0.000 1.002 720 T HN 0.726 nan 8.240 nan 0.000 0.637 721 A N 1.210 124.015 122.820 -0.027 0.000 2.298 721 A HA 0.847 5.167 4.320 -0.000 0.000 0.302 721 A C 0.754 178.464 177.584 0.211 0.000 1.177 721 A CA -0.710 51.310 52.037 -0.028 0.000 0.912 721 A CB 0.356 19.259 19.000 -0.162 0.000 1.331 721 A HN 0.563 nan 8.150 nan 0.000 0.504 722 R N -2.050 118.832 120.500 0.637 0.000 3.919 722 R HA -0.140 4.200 4.340 -0.000 0.000 0.412 722 R C 0.481 176.986 176.300 0.341 0.000 1.102 722 R CA 1.356 57.904 56.100 0.746 0.000 1.082 722 R CB -2.061 28.433 30.300 0.324 0.000 1.671 722 R HN 2.336 nan 8.270 nan 0.000 0.540 723 G N -1.184 107.789 108.800 0.289 0.000 2.556 723 G HA2 0.284 4.244 3.960 -0.000 0.000 0.231 723 G HA3 0.284 4.244 3.960 -0.000 0.000 0.231 723 G C -0.058 174.896 174.900 0.091 0.000 1.687 723 G CA -0.478 44.715 45.100 0.155 0.000 0.917 723 G HN 0.535 nan 8.290 nan 0.000 0.492 724 G N 0.219 109.070 108.800 0.084 0.000 2.322 724 G HA2 0.659 4.619 3.960 -0.000 0.000 0.309 724 G HA3 0.659 4.619 3.960 -0.000 0.000 0.309 724 G C -2.069 172.876 174.900 0.076 0.000 1.121 724 G CA -1.565 43.572 45.100 0.061 0.000 0.886 724 G HN 0.052 nan 8.290 nan 0.000 0.447 725 P HA 0.281 nan 4.420 nan 0.000 0.320 725 P C 0.373 177.680 177.300 0.013 0.000 1.517 725 P CA -0.470 62.694 63.100 0.107 0.000 1.347 725 P CB 1.064 32.881 31.700 0.195 0.000 1.624 726 K N -0.067 120.356 120.400 0.038 0.000 3.556 726 K HA -0.110 4.210 4.320 -0.000 0.000 0.272 726 K C -0.039 176.542 176.600 -0.031 0.000 1.243 726 K CA 1.903 58.188 56.287 -0.004 0.000 0.981 726 K CB -1.760 30.732 32.500 -0.013 0.000 1.319 726 K HN 0.573 nan 8.250 nan 0.000 0.505 727 D N -3.588 116.790 120.400 -0.037 0.000 7.827 727 D HA -0.074 4.566 4.640 -0.000 0.000 0.318 727 D C 0.039 176.206 176.300 -0.222 0.000 2.565 727 D CA 1.274 55.303 54.000 0.048 0.000 1.946 727 D CB -0.897 39.902 40.800 -0.001 0.000 1.133 727 D HN 0.274 nan 8.370 nan 0.000 1.098 728 T N -1.869 112.588 114.554 -0.162 0.000 2.594 728 T HA 0.186 4.536 4.350 -0.000 0.000 0.115 728 T C -1.165 173.431 174.700 -0.174 0.000 2.711 728 T CA 0.103 61.986 62.100 -0.361 0.000 1.047 728 T CB -1.248 67.126 68.868 -0.824 0.000 2.587 728 T HN 0.928 nan 8.240 nan 0.000 0.235 729 Q N 1.423 121.070 119.800 -0.255 0.000 2.587 729 Q HA 0.607 4.947 4.340 -0.000 0.000 0.293 729 Q C -2.249 173.793 176.000 0.069 0.000 1.083 729 Q CA -1.416 54.396 55.803 0.015 0.000 0.792 729 Q CB 1.892 30.708 28.738 0.129 0.000 1.484 729 Q HN 0.413 nan 8.270 nan 0.000 0.446 730 P HA 0.180 nan 4.420 nan 0.000 0.303 730 P C -0.683 176.729 177.300 0.187 0.000 1.524 730 P CA -0.034 63.104 63.100 0.064 0.000 1.267 730 P CB 0.652 32.367 31.700 0.024 0.000 1.596 731 S N 0.345 116.117 115.700 0.120 0.000 3.054 731 S HA -0.001 4.469 4.470 -0.000 0.000 0.243 731 S C 0.170 174.765 174.600 -0.008 0.000 1.013 731 S CA -0.125 58.023 58.200 -0.087 0.000 1.119 731 S CB -1.766 61.352 63.200 -0.138 0.000 0.838 731 S HN 0.314 nan 8.310 nan 0.000 0.505 732 Y N -0.324 119.915 120.300 -0.101 0.000 3.178 732 Y HA -0.242 4.308 4.550 -0.000 0.000 0.200 732 Y C 0.433 176.142 175.900 -0.317 0.000 1.427 732 Y CA -0.480 57.492 58.100 -0.213 0.000 1.250 732 Y CB -2.122 36.245 38.460 -0.155 0.000 1.421 732 Y HN 0.475 nan 8.280 nan 0.000 0.506 733 H N 2.436 121.455 119.070 -0.086 0.000 2.820 733 H HA 0.213 4.769 4.556 -0.000 0.000 0.278 733 H C 0.273 175.528 175.328 -0.122 0.000 1.142 733 H CA -0.055 55.972 56.048 -0.034 0.000 1.346 733 H CB 0.279 30.116 29.762 0.125 0.000 1.438 733 H HN 0.365 nan 8.280 nan 0.000 0.473 734 H N 2.686 121.865 119.070 0.183 0.000 2.594 734 H HA 0.126 4.682 4.556 -0.000 0.000 0.304 734 H C 1.043 176.388 175.328 0.029 0.000 1.068 734 H CA -0.551 55.555 56.048 0.097 0.000 1.308 734 H CB 0.898 30.660 29.762 0.001 0.000 1.409 734 H HN 0.821 nan 8.280 nan 0.000 0.460 735 G N 4.195 113.051 108.800 0.094 0.000 2.942 735 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.290 735 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.290 735 G C 0.265 174.835 174.900 -0.549 0.000 0.295 735 G CA 0.980 45.922 45.100 -0.264 0.000 1.201 735 G HN 1.194 nan 8.290 nan 0.000 0.204 736 N N -0.639 117.481 118.700 -0.968 0.000 4.024 736 N HA 0.008 4.748 4.740 -0.000 0.000 0.314 736 N C -0.026 175.616 175.510 0.220 0.000 2.184 736 N CA 0.246 52.851 53.050 -0.741 0.000 3.009 736 N CB -0.529 37.864 38.487 -0.156 0.000 0.309 736 N HN 1.452 nan 8.380 nan 0.000 0.786 737 G N 2.239 111.489 108.800 0.751 0.000 2.744 737 G HA2 0.557 4.517 3.960 -0.000 0.000 0.309 737 G HA3 0.557 4.517 3.960 -0.000 0.000 0.309 737 G C -2.480 172.828 174.900 0.679 0.000 1.328 737 G CA -1.117 44.368 45.100 0.642 0.000 1.034 737 G HN 0.653 nan 8.290 nan 0.000 0.518 738 P HA 0.267 nan 4.420 nan 0.000 0.276 738 P C 0.066 177.638 177.300 0.452 0.000 1.244 738 P CA -0.081 63.295 63.100 0.460 0.000 0.801 738 P CB 1.476 33.374 31.700 0.330 0.000 1.006 739 Y N 1.566 122.017 120.300 0.252 0.000 2.930 739 Y HA -0.499 4.051 4.550 -0.000 0.000 0.460 739 Y C 1.395 177.422 175.900 0.212 0.000 1.220 739 Y CA 2.349 60.555 58.100 0.178 0.000 2.375 739 Y CB -2.013 36.527 38.460 0.134 0.000 1.258 739 Y HN 0.861 nan 8.280 nan 0.000 0.628 740 N N -0.563 117.331 118.700 -1.343 0.000 2.394 740 N HA -0.308 4.432 4.740 -0.000 0.000 0.164 740 N C -0.455 174.873 175.510 -0.303 0.000 0.420 740 N CA 1.994 54.645 53.050 -0.665 0.000 1.547 740 N CB -2.046 36.396 38.487 -0.075 0.000 1.343 740 N HN 0.887 nan 8.380 nan 0.000 0.403 741 D N 3.384 123.808 120.400 0.040 0.000 2.277 741 D HA 0.686 5.326 4.640 -0.000 0.000 0.249 741 D C 0.733 177.138 176.300 0.175 0.000 1.134 741 D CA -0.410 53.738 54.000 0.247 0.000 0.863 741 D CB 1.628 42.765 40.800 0.562 0.000 1.143 741 D HN 0.641 nan 8.370 nan 0.000 0.458 742 V N 1.320 121.055 119.914 -0.298 0.000 3.292 742 V HA -0.051 4.069 4.120 -0.000 0.000 0.474 742 V C -1.341 174.658 176.094 -0.159 0.000 0.682 742 V CA -0.403 61.570 62.300 -0.545 0.000 2.016 742 V CB 0.351 31.704 31.823 -0.784 0.000 2.472 742 V HN 0.975 nan 8.190 nan 0.000 0.499 743 D N 1.843 122.187 120.400 -0.092 0.000 2.851 743 D HA 0.662 5.302 4.640 -0.000 0.000 0.339 743 D C 0.480 176.872 176.300 0.154 0.000 1.347 743 D CA 0.050 54.136 54.000 0.144 0.000 0.888 743 D CB 1.280 42.380 40.800 0.499 0.000 1.431 743 D HN 1.412 nan 8.370 nan 0.000 0.509 744 I N -2.922 117.764 120.570 0.194 0.000 4.908 744 I HA -0.276 3.894 4.170 -0.000 0.000 0.038 744 I C -1.943 174.222 176.117 0.080 0.000 0.635 744 I CA 1.422 62.795 61.300 0.121 0.000 0.204 744 I CB -2.995 35.104 38.000 0.165 0.000 0.319 744 I HN 0.426 nan 8.210 nan 0.000 0.150 745 P HA 0.251 nan 4.420 nan 0.000 0.267 745 P C 0.466 177.814 177.300 0.080 0.000 1.289 745 P CA 1.384 64.522 63.100 0.065 0.000 0.866 745 P CB 0.408 32.137 31.700 0.049 0.000 1.309 746 G N -0.265 108.586 108.800 0.086 0.000 2.617 746 G HA2 0.464 4.424 3.960 -0.000 0.000 0.306 746 G HA3 0.464 4.424 3.960 -0.000 0.000 0.306 746 G C -0.908 174.064 174.900 0.121 0.000 1.360 746 G CA -0.176 44.986 45.100 0.102 0.000 0.983 746 G HN 0.055 nan 8.290 nan 0.000 0.496 747 C N 0.977 120.402 119.300 0.207 0.000 2.382 747 C HA 0.837 5.297 4.460 -0.000 0.000 0.363 747 C C -0.121 175.168 174.990 0.498 0.000 1.213 747 C CA -0.579 58.635 59.018 0.326 0.000 2.363 747 C CB -0.087 27.857 27.740 0.339 0.000 2.397 747 C HN 0.840 nan 8.230 nan 0.000 0.573 748 W N 0.416 121.844 121.300 0.214 0.000 3.138 748 W HA 0.688 5.348 4.660 -0.000 0.000 0.331 748 W C -1.888 174.774 176.519 0.238 0.000 1.166 748 W CA -1.142 56.341 57.345 0.229 0.000 1.212 748 W CB 0.601 30.164 29.460 0.172 0.000 1.399 748 W HN 0.376 nan 8.180 nan 0.000 0.514 749 F N 4.072 124.089 119.950 0.112 0.000 2.424 749 F HA 0.343 4.870 4.527 -0.000 0.000 0.356 749 F C 0.006 175.563 175.800 -0.405 0.000 1.110 749 F CA -2.074 55.757 58.000 -0.281 0.000 1.161 749 F CB -0.061 39.019 39.000 0.134 0.000 1.115 749 F HN 0.210 nan 8.300 nan 0.000 0.507 750 F N 2.619 122.445 119.950 -0.206 0.000 2.468 750 F HA 0.160 4.687 4.527 -0.000 0.000 0.356 750 F C 0.959 176.737 175.800 -0.037 0.000 1.167 750 F CA -0.708 57.077 58.000 -0.357 0.000 1.135 750 F CB -0.018 38.607 39.000 -0.626 0.000 1.197 750 F HN 0.400 nan 8.300 nan 0.000 0.569 751 K N 4.174 124.647 120.400 0.121 0.000 2.527 751 K HA 0.116 4.436 4.320 -0.000 0.000 0.278 751 K C -0.373 176.232 176.600 0.009 0.000 0.981 751 K CA -0.338 56.043 56.287 0.156 0.000 1.009 751 K CB 0.527 32.848 32.500 -0.298 0.000 0.895 751 K HN 0.613 nan 8.250 nan 0.000 0.493 752 L N 5.245 126.502 121.223 0.057 0.000 2.468 752 L HA 0.488 4.827 4.340 -0.000 0.000 0.254 752 L C -1.922 174.856 176.870 -0.154 0.000 1.171 752 L CA -1.449 53.324 54.840 -0.112 0.000 0.809 752 L CB 0.845 42.795 42.059 -0.183 0.000 1.155 752 L HN 0.786 nan 8.230 nan 0.000 0.473 753 P HA 0.265 nan 4.420 nan 0.000 0.337 753 P C -1.121 176.056 177.300 -0.204 0.000 1.467 753 P CA -0.465 62.391 63.100 -0.407 0.000 1.313 753 P CB 2.105 33.295 31.700 -0.850 0.000 2.043 754 H N 0.034 118.916 119.070 -0.314 0.000 2.784 754 H HA 0.252 4.808 4.556 -0.000 0.000 0.273 754 H C 1.395 176.569 175.328 -0.257 0.000 1.112 754 H CA -0.137 55.791 56.048 -0.199 0.000 1.162 754 H CB 0.830 30.559 29.762 -0.054 0.000 1.586 754 H HN 0.308 nan 8.280 nan 0.000 0.548 755 K N 0.692 120.737 120.400 -0.591 0.000 2.034 755 K HA -0.176 4.144 4.320 -0.000 0.000 0.214 755 K C 1.075 177.488 176.600 -0.312 0.000 1.051 755 K CA 2.286 58.127 56.287 -0.743 0.000 0.931 755 K CB 0.138 32.166 32.500 -0.786 0.000 0.715 755 K HN 0.296 nan 8.250 nan 0.000 0.446 756 D N -0.938 119.309 120.400 -0.255 0.000 2.221 756 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 756 D C 1.648 177.858 176.300 -0.151 0.000 0.982 756 D CA 1.346 55.267 54.000 -0.132 0.000 0.857 756 D CB -0.271 40.491 40.800 -0.064 0.000 0.934 756 D HN 0.432 nan 8.370 nan 0.000 0.475 757 G N -0.668 107.955 108.800 -0.295 0.000 2.564 757 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.212 757 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.212 757 G C 1.010 175.647 174.900 -0.439 0.000 1.199 757 G CA 0.713 45.499 45.100 -0.524 0.000 0.832 757 G HN 0.359 nan 8.290 nan 0.000 0.565 758 N N -3.393 115.044 118.700 -0.437 0.000 2.996 758 N HA -0.196 4.544 4.740 -0.000 0.000 0.164 758 N C 1.130 176.620 175.510 -0.032 0.000 1.350 758 N CA 1.258 54.244 53.050 -0.107 0.000 1.333 758 N CB -1.100 37.353 38.487 -0.057 0.000 1.033 758 N HN 0.260 nan 8.380 nan 0.000 0.627 759 S N -1.508 114.132 115.700 -0.100 0.000 3.113 759 S HA 0.325 4.795 4.470 -0.000 0.000 0.265 759 S C 0.042 174.723 174.600 0.135 0.000 1.079 759 S CA 0.372 58.599 58.200 0.045 0.000 0.892 759 S CB 0.048 63.251 63.200 0.005 0.000 0.880 759 S HN 0.581 nan 8.310 nan 0.000 0.444 760 C N 3.225 122.660 119.300 0.225 0.000 2.397 760 C HA 0.744 5.204 4.460 -0.000 0.000 0.343 760 C C -0.165 174.787 174.990 -0.063 0.000 1.188 760 C CA -1.211 57.862 59.018 0.092 0.000 1.992 760 C CB -0.308 27.454 27.740 0.037 0.000 2.358 760 C HN 0.627 nan 8.230 nan 0.000 0.518 761 N N 2.371 120.959 118.700 -0.188 0.000 1.920 761 N HA 0.087 4.827 4.740 -0.000 0.000 0.307 761 N C 1.511 176.623 175.510 -0.663 0.000 1.305 761 N CA 0.839 53.583 53.050 -0.510 0.000 0.800 761 N CB 0.029 38.143 38.487 -0.621 0.000 1.035 761 N HN 1.190 nan 8.380 nan 0.000 0.498 762 V N 1.376 120.813 119.914 -0.795 0.000 2.358 762 V HA -0.422 3.698 4.120 -0.000 0.000 0.253 762 V C 2.073 177.775 176.094 -0.654 0.000 1.105 762 V CA 2.304 64.082 62.300 -0.869 0.000 1.105 762 V CB -1.778 29.674 31.823 -0.617 0.000 0.846 762 V HN 1.154 nan 8.190 nan 0.000 0.464 763 G N 0.534 109.040 108.800 -0.491 0.000 2.674 763 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.236 763 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.236 763 G C 0.587 175.346 174.900 -0.236 0.000 1.178 763 G CA 1.321 46.246 45.100 -0.293 0.000 0.721 763 G HN 2.335 nan 8.290 nan 0.000 0.515 764 S N 0.427 115.970 115.700 -0.262 0.000 2.547 764 S HA 0.767 5.237 4.470 -0.000 0.000 0.281 764 S C -1.387 172.993 174.600 -0.366 0.000 1.118 764 S CA -0.308 57.753 58.200 -0.231 0.000 0.947 764 S CB 3.377 66.525 63.200 -0.085 0.000 1.053 764 S HN 0.189 nan 8.310 nan 0.000 0.482 765 P HA 0.170 nan 4.420 nan 0.000 0.222 765 P C 0.007 176.908 177.300 -0.665 0.000 1.157 765 P CA 0.502 63.117 63.100 -0.807 0.000 0.816 765 P CB -0.124 30.860 31.700 -1.195 0.000 0.813 766 F N 0.160 120.040 119.950 -0.116 0.000 2.441 766 F HA 0.523 5.050 4.527 -0.000 0.000 0.337 766 F C 1.635 177.387 175.800 -0.080 0.000 1.182 766 F CA -0.796 57.154 58.000 -0.082 0.000 1.279 766 F CB -0.155 38.805 39.000 -0.066 0.000 1.614 766 F HN -0.088 nan 8.300 nan 0.000 0.574 767 A N 0.533 123.355 122.820 0.003 0.000 2.132 767 A HA 0.109 4.429 4.320 -0.000 0.000 0.213 767 A C 1.341 178.931 177.584 0.010 0.000 1.154 767 A CA 0.282 52.319 52.037 -0.000 0.000 0.753 767 A CB -0.037 18.948 19.000 -0.025 0.000 0.826 767 A HN 0.477 nan 8.150 nan 0.000 0.469 768 K N -1.093 119.305 120.400 -0.003 0.000 0.937 768 K HA -0.199 4.121 4.320 -0.000 0.000 0.807 768 K C -0.215 176.389 176.600 0.006 0.000 2.012 768 K CA 1.293 57.551 56.287 -0.048 0.000 1.378 768 K CB -1.212 31.249 32.500 -0.064 0.000 2.580 768 K HN 0.596 nan 8.250 nan 0.000 0.292 769 D N -1.272 119.142 120.400 0.024 0.000 3.563 769 D HA -0.258 4.382 4.640 -0.000 0.000 0.237 769 D C 1.012 177.393 176.300 0.135 0.000 1.680 769 D CA 1.450 55.502 54.000 0.086 0.000 1.151 769 D CB -1.259 39.589 40.800 0.081 0.000 0.751 769 D HN 0.422 nan 8.370 nan 0.000 0.930 770 F N 0.323 120.254 119.950 -0.031 0.000 2.115 770 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 770 F C 2.293 178.070 175.800 -0.039 0.000 1.092 770 F CA 2.074 60.024 58.000 -0.083 0.000 1.245 770 F CB -0.326 38.590 39.000 -0.140 0.000 0.995 770 F HN 0.309 nan 8.300 nan 0.000 0.481 771 L N 0.857 122.172 121.223 0.153 0.000 1.970 771 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 771 L C -0.428 176.452 176.870 0.016 0.000 1.071 771 L CA 2.375 57.246 54.840 0.052 0.000 0.751 771 L CB -2.508 39.548 42.059 -0.005 0.000 0.889 771 L HN 0.089 nan 8.230 nan 0.000 0.432 772 P HA -0.136 nan 4.420 nan 0.000 0.229 772 P C 0.860 178.193 177.300 0.054 0.000 1.160 772 P CA 1.081 64.199 63.100 0.030 0.000 0.777 772 P CB -0.061 31.624 31.700 -0.025 0.000 0.814 773 K N -0.355 120.067 120.400 0.037 0.000 2.148 773 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 773 K C 2.054 178.662 176.600 0.014 0.000 1.050 773 K CA 1.020 57.353 56.287 0.076 0.000 0.942 773 K CB -0.603 31.969 32.500 0.120 0.000 0.724 773 K HN 0.221 nan 8.250 nan 0.000 0.446 774 M N 1.420 120.983 119.600 -0.062 0.000 2.236 774 M HA 0.024 4.504 4.480 -0.000 0.000 0.266 774 M C 0.502 176.856 176.300 0.090 0.000 1.070 774 M CA 0.923 56.211 55.300 -0.020 0.000 1.137 774 M CB -0.510 32.070 32.600 -0.034 0.000 1.378 774 M HN 0.112 nan 8.290 nan 0.000 0.426 775 E N 3.018 123.269 120.200 0.086 0.000 2.220 775 E HA 0.061 4.411 4.350 -0.000 0.000 0.272 775 E C -0.235 176.443 176.600 0.129 0.000 1.099 775 E CA 0.125 56.597 56.400 0.121 0.000 0.907 775 E CB 0.213 29.978 29.700 0.109 0.000 1.022 775 E HN 0.246 nan 8.360 nan 0.000 0.428 776 D N 2.404 122.894 120.400 0.150 0.000 7.254 776 D HA -0.125 4.515 4.640 -0.000 0.000 0.314 776 D C 0.304 176.684 176.300 0.133 0.000 2.495 776 D CA 0.483 54.565 54.000 0.137 0.000 1.805 776 D CB -1.002 39.877 40.800 0.132 0.000 1.106 776 D HN 0.778 nan 8.370 nan 0.000 1.132 777 G N -1.136 107.730 108.800 0.110 0.000 2.569 777 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.259 777 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.259 777 G C 1.013 175.987 174.900 0.124 0.000 1.263 777 G CA 2.268 47.432 45.100 0.107 0.000 0.928 777 G HN 1.719 nan 8.290 nan 0.000 0.572 778 T N -1.108 113.535 114.554 0.147 0.000 3.044 778 T HA 0.392 4.742 4.350 -0.000 0.000 0.255 778 T C 1.213 176.004 174.700 0.151 0.000 1.073 778 T CA 1.295 63.471 62.100 0.126 0.000 1.125 778 T CB 0.242 69.195 68.868 0.142 0.000 0.908 778 T HN 1.304 nan 8.240 nan 0.000 0.480 779 L N 1.418 122.803 121.223 0.269 0.000 2.296 779 L HA 0.715 5.055 4.340 -0.000 0.000 0.286 779 L C -1.581 175.645 176.870 0.595 0.000 1.023 779 L CA -0.206 54.974 54.840 0.566 0.000 0.812 779 L CB 1.284 43.594 42.059 0.418 0.000 1.223 779 L HN 0.096 nan 8.230 nan 0.000 0.421 780 Q N 3.010 123.304 119.800 0.823 0.000 2.837 780 Q HA 0.395 4.735 4.340 -0.000 0.000 0.239 780 Q C -0.690 175.090 176.000 -0.367 0.000 1.001 780 Q CA 0.136 56.018 55.803 0.132 0.000 0.960 780 Q CB 1.420 30.283 28.738 0.208 0.000 1.923 780 Q HN 1.059 nan 8.270 nan 0.000 0.471 781 A N 0.784 123.378 122.820 -0.376 0.000 2.603 781 A HA 0.326 4.646 4.320 -0.000 0.000 0.228 781 A C 0.767 178.110 177.584 -0.401 0.000 1.118 781 A CA 1.842 53.630 52.037 -0.415 0.000 0.921 781 A CB -0.590 18.340 19.000 -0.117 0.000 0.938 781 A HN 1.887 nan 8.150 nan 0.000 0.475 782 G N 1.537 110.065 108.800 -0.453 0.000 2.357 782 G HA2 0.372 4.332 3.960 -0.000 0.000 0.643 782 G HA3 0.372 4.332 3.960 -0.000 0.000 0.643 782 G C -2.343 172.367 174.900 -0.316 0.000 1.358 782 G CA 0.150 45.098 45.100 -0.254 0.000 0.986 782 G HN 1.032 nan 8.290 nan 0.000 0.620 783 P HA 0.373 nan 4.420 nan 0.000 0.198 783 P C 0.761 178.128 177.300 0.113 0.000 0.768 783 P CA 1.605 64.711 63.100 0.009 0.000 1.032 783 P CB 0.823 32.523 31.700 0.000 0.000 0.851 784 G N -0.141 108.705 108.800 0.076 0.000 4.637 784 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 784 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 784 G C 0.134 175.070 174.900 0.060 0.000 1.215 784 G CA 0.064 45.211 45.100 0.078 0.000 0.943 784 G HN 0.577 nan 8.290 nan 0.000 0.572 785 G N -0.736 108.101 108.800 0.062 0.000 2.932 785 G HA2 0.786 4.746 3.960 -0.000 0.000 0.283 785 G HA3 0.786 4.746 3.960 -0.000 0.000 0.283 785 G C -0.961 173.971 174.900 0.052 0.000 1.336 785 G CA -0.394 44.735 45.100 0.048 0.000 1.056 785 G HN 0.885 nan 8.290 nan 0.000 0.522 786 A N -0.254 122.590 122.820 0.040 0.000 2.414 786 A HA 0.899 5.219 4.320 -0.000 0.000 0.286 786 A C 0.031 177.634 177.584 0.031 0.000 1.073 786 A CA 0.382 52.442 52.037 0.038 0.000 0.727 786 A CB 0.584 19.604 19.000 0.032 0.000 1.215 786 A HN 2.588 nan 8.150 nan 0.000 0.430 787 S N 1.134 116.853 115.700 0.032 0.000 3.226 787 S HA 0.464 4.934 4.470 -0.000 0.000 0.484 787 S C 1.284 175.902 174.600 0.029 0.000 0.828 787 S CA 0.073 58.288 58.200 0.024 0.000 1.255 787 S CB -1.469 61.742 63.200 0.017 0.000 1.327 787 S HN 2.814 nan 8.310 nan 0.000 0.496 788 G N 1.902 110.715 108.800 0.023 0.000 2.686 788 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.329 788 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.329 788 G C -0.438 174.487 174.900 0.042 0.000 1.187 788 G CA 1.869 46.983 45.100 0.023 0.000 0.965 788 G HN 1.263 nan 8.290 nan 0.000 0.549 789 P HA -0.235 nan 4.420 nan 0.000 0.219 789 P C 1.682 179.024 177.300 0.071 0.000 1.158 789 P CA 2.509 65.658 63.100 0.082 0.000 0.895 789 P CB -0.331 31.430 31.700 0.102 0.000 0.792 790 R N -0.402 120.132 120.500 0.057 0.000 2.115 790 R HA 0.072 4.412 4.340 -0.000 0.000 0.226 790 R C 2.402 178.727 176.300 0.042 0.000 1.100 790 R CA 1.129 57.258 56.100 0.049 0.000 0.980 790 R CB -0.744 29.580 30.300 0.040 0.000 0.875 790 R HN 0.148 nan 8.270 nan 0.000 0.445 791 A N 0.206 123.048 122.820 0.036 0.000 2.248 791 A HA -0.027 4.293 4.320 -0.000 0.000 0.210 791 A C 1.329 178.930 177.584 0.028 0.000 1.174 791 A CA 0.962 53.013 52.037 0.022 0.000 0.750 791 A CB 0.001 19.012 19.000 0.019 0.000 0.780 791 A HN 0.088 nan 8.150 nan 0.000 0.478 792 L N -1.925 119.330 121.223 0.054 0.000 2.738 792 L HA 0.192 4.532 4.340 -0.000 0.000 0.175 792 L C 1.939 178.856 176.870 0.079 0.000 1.125 792 L CA 0.727 55.613 54.840 0.076 0.000 0.857 792 L CB -0.845 41.276 42.059 0.102 0.000 1.300 792 L HN 0.118 nan 8.230 nan 0.000 0.499 793 E N 0.924 121.176 120.200 0.085 0.000 2.236 793 E HA -0.254 4.096 4.350 -0.000 0.000 0.205 793 E C 2.035 178.689 176.600 0.090 0.000 1.028 793 E CA 2.178 58.633 56.400 0.092 0.000 0.827 793 E CB -0.388 29.360 29.700 0.080 0.000 0.735 793 E HN 0.671 nan 8.360 nan 0.000 0.470 794 I N -1.943 118.670 120.570 0.071 0.000 2.716 794 I HA -0.102 4.068 4.170 -0.000 0.000 0.259 794 I C 1.714 177.876 176.117 0.076 0.000 1.172 794 I CA 0.779 62.123 61.300 0.074 0.000 1.478 794 I CB -0.392 37.642 38.000 0.057 0.000 1.104 794 I HN -0.078 nan 8.210 nan 0.000 0.439 795 N N 2.527 121.254 118.700 0.046 0.000 2.084 795 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 795 N C 1.629 177.167 175.510 0.046 0.000 1.030 795 N CA 1.297 54.354 53.050 0.012 0.000 0.849 795 N CB -0.255 38.213 38.487 -0.031 0.000 1.012 795 N HN 0.449 nan 8.380 nan 0.000 0.423 796 K N 1.276 121.723 120.400 0.078 0.000 2.034 796 K HA -0.176 4.144 4.320 -0.000 0.000 0.214 796 K C 2.266 179.001 176.600 0.225 0.000 1.051 796 K CA 1.925 58.278 56.287 0.110 0.000 0.931 796 K CB -0.358 32.251 32.500 0.182 0.000 0.715 796 K HN 0.284 nan 8.250 nan 0.000 0.446 797 M N 1.240 120.986 119.600 0.244 0.000 2.159 797 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 797 M C 2.374 178.853 176.300 0.299 0.000 1.063 797 M CA 1.540 57.018 55.300 0.296 0.000 1.110 797 M CB -0.934 31.761 32.600 0.159 0.000 1.374 797 M HN 0.183 nan 8.290 nan 0.000 0.411 798 I N -0.917 119.786 120.570 0.223 0.000 2.208 798 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 798 I C 2.162 178.387 176.117 0.180 0.000 1.097 798 I CA 1.516 62.974 61.300 0.263 0.000 1.363 798 I CB -1.075 37.032 38.000 0.177 0.000 1.051 798 I HN 0.196 nan 8.210 nan 0.000 0.413 799 S N 1.975 117.697 115.700 0.037 0.000 2.378 799 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 799 S C 1.775 176.350 174.600 -0.042 0.000 1.037 799 S CA 1.844 59.985 58.200 -0.098 0.000 1.069 799 S CB -0.938 62.100 63.200 -0.269 0.000 1.006 799 S HN 0.467 nan 8.310 nan 0.000 0.423 800 F N 1.161 121.157 119.950 0.077 0.000 2.106 800 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 800 F C 2.170 178.049 175.800 0.132 0.000 1.082 800 F CA 1.610 59.654 58.000 0.074 0.000 1.244 800 F CB -0.865 38.170 39.000 0.058 0.000 0.997 800 F HN 0.432 nan 8.300 nan 0.000 0.486 801 W N 2.374 123.728 121.300 0.090 0.000 2.360 801 W HA -0.283 4.377 4.660 -0.000 0.000 0.323 801 W C 2.760 179.187 176.519 -0.153 0.000 1.181 801 W CA 1.328 58.634 57.345 -0.065 0.000 1.261 801 W CB -0.677 28.721 29.460 -0.104 0.000 1.195 801 W HN 0.047 nan 8.180 nan 0.000 0.454 802 R N 1.189 121.328 120.500 -0.601 0.000 2.311 802 R HA -0.359 3.981 4.340 -0.000 0.000 0.255 802 R C 1.503 177.379 176.300 -0.707 0.000 1.101 802 R CA 2.886 58.356 56.100 -1.050 0.000 0.948 802 R CB -1.630 28.370 30.300 -0.501 0.000 0.943 802 R HN 0.245 nan 8.270 nan 0.000 0.448 803 N N 0.876 119.385 118.700 -0.319 0.000 2.142 803 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 803 N C 1.843 177.275 175.510 -0.130 0.000 1.023 803 N CA 1.668 54.607 53.050 -0.184 0.000 0.852 803 N CB -0.603 37.832 38.487 -0.085 0.000 0.998 803 N HN 0.495 nan 8.380 nan 0.000 0.424 804 A N 1.238 124.040 122.820 -0.029 0.000 1.884 804 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 804 A C 2.061 179.722 177.584 0.127 0.000 1.197 804 A CA 1.940 54.039 52.037 0.102 0.000 0.637 804 A CB -1.102 18.080 19.000 0.304 0.000 0.827 804 A HN 0.329 nan 8.150 nan 0.000 0.450 805 H N -0.134 118.830 119.070 -0.176 0.000 2.257 805 H HA -0.163 4.393 4.556 -0.000 0.000 0.292 805 H C 2.041 177.315 175.328 -0.089 0.000 1.075 805 H CA 2.216 58.171 56.048 -0.155 0.000 1.212 805 H CB -0.470 28.866 29.762 -0.710 0.000 1.354 805 H HN 0.529 nan 8.280 nan 0.000 0.497 806 K N -0.115 120.259 120.400 -0.043 0.000 2.032 806 K HA -0.241 4.079 4.320 -0.000 0.000 0.218 806 K C 2.490 179.085 176.600 -0.010 0.000 1.054 806 K CA 2.272 58.522 56.287 -0.061 0.000 0.941 806 K CB -0.025 32.432 32.500 -0.072 0.000 0.720 806 K HN 0.290 nan 8.250 nan 0.000 0.449 807 R N 0.397 120.904 120.500 0.011 0.000 2.088 807 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 807 R C 2.420 178.768 176.300 0.080 0.000 1.136 807 R CA 1.927 58.053 56.100 0.043 0.000 0.926 807 R CB -0.960 29.358 30.300 0.030 0.000 0.837 807 R HN 0.262 nan 8.270 nan 0.000 0.429 808 I N 1.634 122.257 120.570 0.088 0.000 2.236 808 I HA -0.214 3.956 4.170 -0.000 0.000 0.249 808 I C 0.579 176.780 176.117 0.139 0.000 1.102 808 I CA 1.234 62.609 61.300 0.125 0.000 1.365 808 I CB -0.393 37.727 38.000 0.200 0.000 1.051 808 I HN 0.068 nan 8.210 nan 0.000 0.420 809 S N 0.211 115.939 115.700 0.047 0.000 2.512 809 S HA 0.519 4.989 4.470 -0.000 0.000 0.291 809 S C 0.349 174.939 174.600 -0.017 0.000 1.151 809 S CA -0.065 58.112 58.200 -0.038 0.000 1.120 809 S CB 1.078 64.086 63.200 -0.319 0.000 1.029 809 S HN 0.540 nan 8.310 nan 0.000 0.485 810 S N 1.445 117.172 115.700 0.044 0.000 6.768 810 S HA 0.075 4.545 4.470 -0.000 0.000 0.077 810 S C 0.077 174.724 174.600 0.078 0.000 1.316 810 S CA 0.020 58.249 58.200 0.049 0.000 1.269 810 S CB -0.726 62.505 63.200 0.051 0.000 1.717 810 S HN 0.564 nan 8.310 nan 0.000 0.552 811 Q N 2.380 122.245 119.800 0.107 0.000 2.377 811 Q HA -0.212 4.128 4.340 -0.000 0.000 0.368 811 Q C 0.166 176.213 176.000 0.077 0.000 1.284 811 Q CA 0.660 56.552 55.803 0.149 0.000 1.172 811 Q CB -1.257 27.632 28.738 0.252 0.000 1.331 811 Q HN 0.734 nan 8.270 nan 0.000 0.311 812 M N 1.316 120.923 119.600 0.012 0.000 2.248 812 M HA 0.403 4.883 4.480 -0.000 0.000 0.337 812 M C -0.672 175.566 176.300 -0.104 0.000 1.121 812 M CA -0.006 55.283 55.300 -0.018 0.000 1.155 812 M CB 1.284 33.866 32.600 -0.030 0.000 1.514 812 M HN 0.283 nan 8.290 nan 0.000 0.452 813 V N 5.760 125.605 119.914 -0.115 0.000 2.777 813 V HA 0.660 4.780 4.120 -0.000 0.000 0.306 813 V C -0.716 175.105 176.094 -0.456 0.000 1.112 813 V CA -0.563 61.538 62.300 -0.331 0.000 0.917 813 V CB 1.731 33.308 31.823 -0.410 0.000 1.018 813 V HN 1.021 nan 8.190 nan 0.000 0.426 814 V N 3.303 122.929 119.914 -0.481 0.000 3.170 814 V HA 0.828 4.948 4.120 -0.000 0.000 0.309 814 V C -0.443 175.292 176.094 -0.597 0.000 1.071 814 V CA -0.543 61.556 62.300 -0.335 0.000 1.063 814 V CB 1.369 33.103 31.823 -0.147 0.000 1.123 814 V HN 0.998 nan 8.190 nan 0.000 0.464 815 W N 0.411 121.738 121.300 0.046 0.000 3.031 815 W HA 0.770 5.430 4.660 -0.000 0.000 0.337 815 W C -1.163 175.386 176.519 0.050 0.000 1.187 815 W CA -0.748 56.631 57.345 0.057 0.000 1.166 815 W CB 1.901 31.385 29.460 0.041 0.000 1.437 815 W HN 0.460 nan 8.180 nan 0.000 0.551 816 L N 4.148 125.573 121.223 0.338 0.000 2.337 816 L HA 0.319 4.659 4.340 -0.000 0.000 0.269 816 L C -1.158 175.789 176.870 0.128 0.000 1.018 816 L CA -1.384 53.573 54.840 0.196 0.000 0.876 816 L CB 0.844 43.016 42.059 0.187 0.000 1.236 816 L HN 0.239 nan 8.230 nan 0.000 0.436 817 P HA -0.131 nan 4.420 nan 0.000 0.212 817 P C 1.114 178.395 177.300 -0.033 0.000 1.180 817 P CA 1.267 64.368 63.100 0.003 0.000 0.906 817 P CB 0.579 32.287 31.700 0.013 0.000 0.782 818 R N -0.655 119.844 120.500 -0.003 0.000 2.561 818 R HA 0.123 4.463 4.340 -0.000 0.000 0.213 818 R C 1.048 177.361 176.300 0.022 0.000 0.885 818 R CA 0.674 56.767 56.100 -0.011 0.000 1.002 818 R CB -0.377 29.914 30.300 -0.015 0.000 1.432 818 R HN 0.053 nan 8.270 nan 0.000 0.651 819 S N 0.681 116.403 115.700 0.036 0.000 3.456 819 S HA 0.478 4.948 4.470 -0.000 0.000 0.229 819 S C 0.139 174.774 174.600 0.057 0.000 1.416 819 S CA -0.022 58.206 58.200 0.046 0.000 1.197 819 S CB 0.647 63.874 63.200 0.046 0.000 1.201 819 S HN 0.354 nan 8.310 nan 0.000 0.479 820 A N 2.950 125.812 122.820 0.070 0.000 2.690 820 A HA 0.571 4.891 4.320 -0.000 0.000 0.342 820 A C 0.107 177.741 177.584 0.083 0.000 1.410 820 A CA -0.711 51.376 52.037 0.084 0.000 0.958 820 A CB -0.048 19.029 19.000 0.128 0.000 1.153 820 A HN 0.440 nan 8.150 nan 0.000 0.497 821 L N 1.859 123.120 121.223 0.064 0.000 2.473 821 L HA 0.380 4.720 4.340 -0.000 0.000 0.268 821 L C -2.064 174.852 176.870 0.078 0.000 1.215 821 L CA -1.384 53.500 54.840 0.073 0.000 0.823 821 L CB -0.533 41.562 42.059 0.060 0.000 1.099 821 L HN 0.342 nan 8.230 nan 0.000 0.483 822 P HA 0.410 nan 4.420 nan 0.000 0.292 822 P C -0.038 177.335 177.300 0.122 0.000 1.304 822 P CA -0.690 62.475 63.100 0.109 0.000 0.848 822 P CB 0.886 32.656 31.700 0.116 0.000 1.260 823 R N 0.465 121.029 120.500 0.107 0.000 2.080 823 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 823 R C 1.813 178.191 176.300 0.130 0.000 1.137 823 R CA 2.370 58.538 56.100 0.113 0.000 0.943 823 R CB -2.406 27.947 30.300 0.088 0.000 0.846 823 R HN 0.363 nan 8.270 nan 0.000 0.431 824 A N 0.918 123.808 122.820 0.118 0.000 2.067 824 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 824 A C 2.363 180.035 177.584 0.147 0.000 1.158 824 A CA 1.248 53.359 52.037 0.123 0.000 0.661 824 A CB -0.506 18.557 19.000 0.106 0.000 0.801 824 A HN 0.168 nan 8.150 nan 0.000 0.452 825 V N 1.360 121.373 119.914 0.165 0.000 2.244 825 V HA -0.236 3.884 4.120 -0.000 0.000 0.244 825 V C 2.565 178.762 176.094 0.173 0.000 1.042 825 V CA 1.977 64.401 62.300 0.207 0.000 1.006 825 V CB -0.584 31.367 31.823 0.215 0.000 0.641 825 V HN 0.744 nan 8.190 nan 0.000 0.446 826 I N 0.789 121.492 120.570 0.222 0.000 2.163 826 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 826 I C 2.667 178.891 176.117 0.178 0.000 1.081 826 I CA 2.334 63.878 61.300 0.406 0.000 1.353 826 I CB -1.496 36.809 38.000 0.509 0.000 1.054 826 I HN 0.336 nan 8.210 nan 0.000 0.407 827 R N 1.986 122.590 120.500 0.173 0.000 2.179 827 R HA -0.252 4.088 4.340 -0.000 0.000 0.238 827 R C 1.547 177.809 176.300 -0.064 0.000 1.119 827 R CA 1.967 58.119 56.100 0.087 0.000 0.915 827 R CB -1.846 28.513 30.300 0.098 0.000 0.870 827 R HN 0.589 nan 8.270 nan 0.000 0.432 828 H N 2.558 121.596 119.070 -0.053 0.000 2.934 828 H HA 0.339 4.895 4.556 -0.000 0.000 0.273 828 H C -2.117 173.098 175.328 -0.189 0.000 1.121 828 H CA -1.391 54.602 56.048 -0.091 0.000 1.451 828 H CB 1.043 30.783 29.762 -0.037 0.000 1.469 828 H HN 0.451 nan 8.280 nan 0.000 0.476 829 P HA 0.293 nan 4.420 nan 0.000 0.304 829 P C -1.391 175.704 177.300 -0.343 0.000 1.020 829 P CA -0.601 62.228 63.100 -0.452 0.000 1.080 829 P CB 2.693 33.632 31.700 -1.268 0.000 1.396 830 D N -0.863 119.386 120.400 -0.252 0.000 3.256 830 D HA 0.197 4.837 4.640 -0.000 0.000 0.332 830 D C -1.029 175.311 176.300 0.068 0.000 1.327 830 D CA 0.100 54.060 54.000 -0.068 0.000 0.735 830 D CB -0.352 40.431 40.800 -0.029 0.000 1.280 830 D HN 0.204 nan 8.370 nan 0.000 0.572 831 Y N -0.957 119.391 120.300 0.080 0.000 2.341 831 Y HA 0.561 5.111 4.550 -0.000 0.000 0.337 831 Y C 0.897 176.860 175.900 0.104 0.000 1.014 831 Y CA -1.544 56.656 58.100 0.167 0.000 1.111 831 Y CB 0.766 39.414 38.460 0.312 0.000 1.194 831 Y HN -0.239 nan 8.280 nan 0.000 0.462 832 D N 1.623 122.179 120.400 0.260 0.000 2.178 832 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 832 D C 0.455 176.720 176.300 -0.057 0.000 0.974 832 D CA 1.559 55.609 54.000 0.083 0.000 0.841 832 D CB 0.203 41.028 40.800 0.043 0.000 0.953 832 D HN 0.825 nan 8.370 nan 0.000 0.478 833 E N -0.743 119.352 120.200 -0.176 0.000 3.916 833 E HA -0.207 4.143 4.350 -0.000 0.000 0.331 833 E C 0.204 176.663 176.600 -0.234 0.000 0.729 833 E CA 0.742 56.946 56.400 -0.326 0.000 1.222 833 E CB -1.157 28.334 29.700 -0.347 0.000 1.633 833 E HN 0.517 nan 8.360 nan 0.000 0.437 834 E N -0.226 119.872 120.200 -0.170 0.000 2.583 834 E HA 0.231 4.581 4.350 -0.000 0.000 0.213 834 E C 0.804 177.309 176.600 -0.158 0.000 0.989 834 E CA 0.438 56.753 56.400 -0.142 0.000 0.991 834 E CB 1.068 30.715 29.700 -0.088 0.000 1.040 834 E HN 0.191 nan 8.360 nan 0.000 0.481 835 G N 0.803 109.478 108.800 -0.209 0.000 2.552 835 G HA2 0.636 4.596 3.960 -0.000 0.000 0.318 835 G HA3 0.636 4.596 3.960 -0.000 0.000 0.318 835 G C -0.598 174.088 174.900 -0.357 0.000 1.240 835 G CA -0.595 44.385 45.100 -0.199 0.000 1.002 835 G HN -0.028 nan 8.290 nan 0.000 0.493 836 L N -0.321 120.789 121.223 -0.189 0.000 2.341 836 L HA 0.400 4.740 4.340 -0.000 0.000 0.278 836 L C -0.624 176.577 176.870 0.552 0.000 1.005 836 L CA -0.692 54.061 54.840 -0.144 0.000 0.818 836 L CB 2.010 43.632 42.059 -0.729 0.000 1.259 836 L HN 0.702 nan 8.230 nan 0.000 0.418 837 Y N 0.929 121.523 120.300 0.490 0.000 2.682 837 Y HA 0.244 4.794 4.550 -0.000 0.000 0.251 837 Y C 1.322 177.416 175.900 0.324 0.000 1.172 837 Y CA -0.856 57.472 58.100 0.380 0.000 1.186 837 Y CB 1.505 40.086 38.460 0.200 0.000 1.216 837 Y HN 0.756 nan 8.280 nan 0.000 0.540 838 G N 1.214 110.364 108.800 0.583 0.000 2.563 838 G HA2 0.646 4.606 3.960 -0.000 0.000 0.283 838 G HA3 0.646 4.606 3.960 -0.000 0.000 0.283 838 G C -0.708 173.902 174.900 -0.482 0.000 1.309 838 G CA 0.106 45.139 45.100 -0.111 0.000 1.022 838 G HN 0.240 nan 8.290 nan 0.000 0.501 839 A N -1.421 121.101 122.820 -0.497 0.000 2.610 839 A HA 0.674 4.994 4.320 -0.000 0.000 0.291 839 A C -0.931 176.384 177.584 -0.448 0.000 1.086 839 A CA -0.690 51.080 52.037 -0.445 0.000 0.677 839 A CB 0.935 19.739 19.000 -0.327 0.000 1.278 839 A HN 0.629 nan 8.150 nan 0.000 0.414 840 I N 0.482 120.776 120.570 -0.461 0.000 2.577 840 I HA 0.515 4.685 4.170 -0.000 0.000 0.300 840 I C -0.540 175.233 176.117 -0.574 0.000 0.990 840 I CA -0.433 60.581 61.300 -0.478 0.000 1.283 840 I CB 1.101 38.791 38.000 -0.517 0.000 1.411 840 I HN 0.368 nan 8.210 nan 0.000 0.515 841 L N 5.669 126.586 121.223 -0.510 0.000 2.482 841 L HA 0.406 4.746 4.340 -0.000 0.000 0.269 841 L C -2.731 173.838 176.870 -0.501 0.000 0.967 841 L CA -1.444 53.106 54.840 -0.484 0.000 0.851 841 L CB 2.258 44.139 42.059 -0.298 0.000 1.242 841 L HN 0.241 nan 8.230 nan 0.000 0.404 842 P HA 0.148 nan 4.420 nan 0.000 0.292 842 P C -0.704 176.396 177.300 -0.333 0.000 1.326 842 P CA -0.550 62.270 63.100 -0.467 0.000 0.787 842 P CB 0.743 32.107 31.700 -0.561 0.000 0.903 843 Q N 2.630 122.233 119.800 -0.328 0.000 2.339 843 Q HA 0.058 4.398 4.340 -0.000 0.000 0.308 843 Q C -0.669 175.226 176.000 -0.175 0.000 1.097 843 Q CA 0.332 55.976 55.803 -0.266 0.000 1.007 843 Q CB -0.441 28.127 28.738 -0.283 0.000 1.051 843 Q HN 0.216 nan 8.270 nan 0.000 0.381 844 V N 2.629 122.452 119.914 -0.151 0.000 2.334 844 V HA 0.244 4.364 4.120 -0.000 0.000 0.281 844 V C 0.262 176.317 176.094 -0.066 0.000 1.016 844 V CA -1.094 61.147 62.300 -0.098 0.000 0.832 844 V CB 1.226 32.989 31.823 -0.099 0.000 0.999 844 V HN 0.591 nan 8.190 nan 0.000 0.439 845 V N 4.603 124.491 119.914 -0.042 0.000 2.470 845 V HA 0.209 4.329 4.120 -0.000 0.000 0.276 845 V C 1.112 177.202 176.094 -0.006 0.000 1.040 845 V CA -0.113 62.176 62.300 -0.017 0.000 1.008 845 V CB 0.768 32.584 31.823 -0.011 0.000 0.990 845 V HN 1.028 nan 8.190 nan 0.000 0.477 846 T N 3.015 117.577 114.554 0.014 0.000 2.802 846 T HA 0.519 4.869 4.350 -0.000 0.000 0.305 846 T C 1.000 175.715 174.700 0.025 0.000 1.053 846 T CA 0.192 62.313 62.100 0.034 0.000 1.058 846 T CB 0.960 69.865 68.868 0.060 0.000 0.988 846 T HN 1.715 nan 8.240 nan 0.000 0.539 847 A N 1.211 124.047 122.820 0.026 0.000 5.391 847 A HA 0.065 4.385 4.320 -0.000 0.000 0.315 847 A C 1.734 179.308 177.584 -0.016 0.000 1.874 847 A CA 1.513 53.551 52.037 0.002 0.000 0.714 847 A CB -2.013 16.991 19.000 0.005 0.000 1.335 847 A HN 2.907 nan 8.150 nan 0.000 0.382 848 G N -2.311 106.477 108.800 -0.021 0.000 2.323 848 G HA2 0.273 4.233 3.960 -0.000 0.000 0.292 848 G HA3 0.273 4.233 3.960 -0.000 0.000 0.292 848 G C 0.606 175.488 174.900 -0.029 0.000 1.040 848 G CA 1.624 46.712 45.100 -0.020 0.000 0.942 848 G HN 2.706 nan 8.290 nan 0.000 0.506 849 T N -1.188 113.332 114.554 -0.056 0.000 2.831 849 T HA 0.368 4.718 4.350 -0.000 0.000 0.333 849 T C 1.510 176.110 174.700 -0.168 0.000 1.684 849 T CA -0.299 61.745 62.100 -0.092 0.000 1.049 849 T CB 0.809 69.628 68.868 -0.082 0.000 1.518 849 T HN 0.651 nan 8.240 nan 0.000 0.491 850 I N -0.921 119.468 120.570 -0.301 0.000 2.361 850 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 850 I C 1.607 177.506 176.117 -0.363 0.000 1.133 850 I CA 1.665 62.692 61.300 -0.456 0.000 1.413 850 I CB -1.441 35.963 38.000 -0.994 0.000 1.073 850 I HN 0.554 nan 8.210 nan 0.000 0.424 851 T N 0.746 115.121 114.554 -0.297 0.000 3.067 851 T HA 0.135 4.485 4.350 -0.000 0.000 0.257 851 T C 0.963 175.614 174.700 -0.082 0.000 1.105 851 T CA 0.569 62.582 62.100 -0.145 0.000 1.104 851 T CB 0.027 68.853 68.868 -0.069 0.000 0.925 851 T HN 0.453 nan 8.240 nan 0.000 0.498 852 R N -0.906 119.546 120.500 -0.081 0.000 3.840 852 R HA -0.231 4.109 4.340 -0.000 0.000 0.464 852 R C 1.410 177.684 176.300 -0.043 0.000 0.986 852 R CA 1.083 57.157 56.100 -0.044 0.000 1.305 852 R CB -1.459 28.831 30.300 -0.016 0.000 1.950 852 R HN 0.159 nan 8.270 nan 0.000 0.526 853 R N 1.197 121.669 120.500 -0.047 0.000 2.196 853 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 853 R C 0.580 176.859 176.300 -0.035 0.000 1.113 853 R CA 2.501 58.579 56.100 -0.036 0.000 0.899 853 R CB -0.174 30.124 30.300 -0.003 0.000 0.863 853 R HN 0.521 nan 8.270 nan 0.000 0.430 854 A N -3.415 119.390 122.820 -0.025 0.000 2.540 854 A HA 0.550 4.870 4.320 -0.000 0.000 0.291 854 A C -1.701 175.869 177.584 -0.023 0.000 1.083 854 A CA -0.327 51.693 52.037 -0.028 0.000 0.650 854 A CB 1.431 20.410 19.000 -0.034 0.000 1.292 854 A HN 0.128 nan 8.150 nan 0.000 0.435 855 V N 1.039 120.937 119.914 -0.027 0.000 3.020 855 V HA 0.376 4.496 4.120 -0.000 0.000 0.275 855 V C -0.993 175.088 176.094 -0.021 0.000 0.868 855 V CA -0.225 62.062 62.300 -0.020 0.000 1.087 855 V CB 0.464 32.277 31.823 -0.017 0.000 0.954 855 V HN 0.768 nan 8.190 nan 0.000 0.495 856 E N 2.721 122.917 120.200 -0.007 0.000 2.343 856 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 856 E C -2.372 174.253 176.600 0.042 0.000 0.908 856 E CA -1.594 54.822 56.400 0.028 0.000 0.814 856 E CB 3.087 32.830 29.700 0.072 0.000 1.302 856 E HN 0.177 nan 8.360 nan 0.000 0.408 857 P HA -0.203 nan 4.420 nan 0.000 0.215 857 P C 1.251 178.561 177.300 0.016 0.000 1.157 857 P CA 1.569 64.682 63.100 0.021 0.000 0.868 857 P CB 0.276 31.991 31.700 0.025 0.000 0.788 858 T N -3.056 111.542 114.554 0.074 0.000 2.732 858 T HA -0.120 4.230 4.350 -0.000 0.000 0.261 858 T C 1.301 175.897 174.700 -0.173 0.000 1.040 858 T CA 1.142 63.225 62.100 -0.030 0.000 1.145 858 T CB -1.059 67.841 68.868 0.052 0.000 0.866 858 T HN 0.131 nan 8.240 nan 0.000 0.427 859 W N 0.702 121.947 121.300 -0.092 0.000 2.704 859 W HA 0.503 5.163 4.660 -0.000 0.000 0.266 859 W C 1.847 178.287 176.519 -0.130 0.000 1.266 859 W CA -0.645 56.633 57.345 -0.110 0.000 1.377 859 W CB -0.568 28.820 29.460 -0.121 0.000 1.082 859 W HN 0.100 nan 8.180 nan 0.000 0.608 860 L N -0.100 121.159 121.223 0.059 0.000 2.418 860 L HA 0.093 4.433 4.340 -0.000 0.000 0.218 860 L C 0.324 177.067 176.870 -0.212 0.000 1.125 860 L CA 0.922 55.722 54.840 -0.067 0.000 0.835 860 L CB -0.499 41.522 42.059 -0.064 0.000 0.953 860 L HN -0.262 nan 8.230 nan 0.000 0.454 861 T N 1.297 115.756 114.554 -0.158 0.000 3.016 861 T HA 0.571 4.921 4.350 -0.000 0.000 0.335 861 T C 0.030 174.637 174.700 -0.155 0.000 1.176 861 T CA -0.159 61.827 62.100 -0.189 0.000 0.987 861 T CB 0.808 69.622 68.868 -0.089 0.000 1.073 861 T HN 0.228 nan 8.240 nan 0.000 0.547 862 A N 2.725 125.440 122.820 -0.175 0.000 2.437 862 A HA 1.005 5.325 4.320 -0.000 0.000 0.292 862 A C -0.349 177.212 177.584 -0.039 0.000 1.173 862 A CA -0.754 51.212 52.037 -0.120 0.000 0.785 862 A CB 1.527 20.452 19.000 -0.125 0.000 1.351 862 A HN 0.676 nan 8.150 nan 0.000 0.431 863 S N -0.691 114.963 115.700 -0.077 0.000 2.636 863 S HA 0.480 4.950 4.470 -0.000 0.000 0.268 863 S C -0.572 173.965 174.600 -0.105 0.000 1.159 863 S CA -0.995 57.167 58.200 -0.063 0.000 0.815 863 S CB 0.641 63.800 63.200 -0.069 0.000 1.130 863 S HN 0.764 nan 8.310 nan 0.000 0.471 864 N N 0.886 119.524 118.700 -0.103 0.000 2.386 864 N HA 0.600 5.340 4.740 -0.000 0.000 0.291 864 N C 0.151 175.571 175.510 -0.149 0.000 1.309 864 N CA -0.312 52.667 53.050 -0.119 0.000 0.948 864 N CB 0.013 38.439 38.487 -0.101 0.000 1.083 864 N HN 0.870 nan 8.380 nan 0.000 0.527 865 A N -0.385 122.345 122.820 -0.150 0.000 3.181 865 A HA 0.176 4.496 4.320 -0.000 0.000 0.293 865 A C 1.491 178.969 177.584 -0.175 0.000 1.346 865 A CA -0.418 51.516 52.037 -0.172 0.000 1.018 865 A CB -0.617 18.284 19.000 -0.165 0.000 1.093 865 A HN 0.445 nan 8.150 nan 0.000 0.629 866 R N 1.063 121.447 120.500 -0.193 0.000 2.109 866 R HA -0.106 4.234 4.340 -0.000 0.000 0.227 866 R C -1.120 175.030 176.300 -0.250 0.000 1.132 866 R CA 2.266 58.243 56.100 -0.204 0.000 0.907 866 R CB -1.267 28.910 30.300 -0.205 0.000 0.825 866 R HN 0.352 nan 8.270 nan 0.000 0.432 867 P HA -0.009 nan 4.420 nan 0.000 0.220 867 P C -0.955 176.214 177.300 -0.218 0.000 1.148 867 P CA 1.091 63.917 63.100 -0.456 0.000 0.803 867 P CB 0.085 30.997 31.700 -1.313 0.000 0.782 868 D N -3.227 117.050 120.400 -0.205 0.000 10.581 868 D HA -0.044 4.596 4.640 -0.000 0.000 0.326 868 D C 0.320 176.551 176.300 -0.116 0.000 3.160 868 D CA -0.014 53.907 54.000 -0.131 0.000 2.741 868 D CB -0.265 40.491 40.800 -0.073 0.000 1.262 868 D HN 0.145 nan 8.370 nan 0.000 0.955 869 R N -1.661 118.736 120.500 -0.171 0.000 4.170 869 R HA -0.117 4.223 4.340 -0.000 0.000 0.135 869 R C 0.665 176.682 176.300 -0.472 0.000 0.241 869 R CA 0.231 56.155 56.100 -0.292 0.000 0.630 869 R CB -1.805 28.357 30.300 -0.230 0.000 1.059 869 R HN 0.394 nan 8.270 nan 0.000 0.529 870 V N 1.112 120.518 119.914 -0.847 0.000 2.591 870 V HA 0.048 4.168 4.120 -0.000 0.000 0.249 870 V C 1.801 177.628 176.094 -0.446 0.000 1.053 870 V CA 2.765 64.599 62.300 -0.778 0.000 1.068 870 V CB -0.190 30.821 31.823 -1.352 0.000 0.689 870 V HN 0.759 nan 8.190 nan 0.000 0.462 871 G N -0.398 108.217 108.800 -0.308 0.000 2.464 871 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 871 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 871 G C 1.831 176.601 174.900 -0.218 0.000 1.138 871 G CA 1.136 46.117 45.100 -0.199 0.000 0.793 871 G HN 0.710 nan 8.290 nan 0.000 0.539 872 S N 1.559 117.126 115.700 -0.221 0.000 2.374 872 S HA -0.236 4.234 4.470 -0.000 0.000 0.227 872 S C 2.137 176.600 174.600 -0.229 0.000 1.037 872 S CA 2.151 60.221 58.200 -0.217 0.000 1.024 872 S CB -0.417 62.657 63.200 -0.209 0.000 0.861 872 S HN 0.714 nan 8.310 nan 0.000 0.456 873 E N -0.050 119.989 120.200 -0.269 0.000 2.250 873 E HA 0.018 4.367 4.350 -0.000 0.000 0.192 873 E C 2.030 178.418 176.600 -0.354 0.000 0.986 873 E CA 0.265 56.476 56.400 -0.316 0.000 0.849 873 E CB -0.401 29.076 29.700 -0.372 0.000 0.797 873 E HN 0.445 nan 8.360 nan 0.000 0.482 874 L N 2.565 123.586 121.223 -0.336 0.000 2.046 874 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 874 L C 2.575 179.207 176.870 -0.396 0.000 1.077 874 L CA 2.363 56.984 54.840 -0.366 0.000 0.747 874 L CB -0.779 41.075 42.059 -0.342 0.000 0.896 874 L HN 0.263 nan 8.230 nan 0.000 0.432 875 K N -0.567 119.621 120.400 -0.353 0.000 2.001 875 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 875 K C 1.968 178.388 176.600 -0.300 0.000 1.050 875 K CA 1.850 57.951 56.287 -0.309 0.000 0.934 875 K CB -0.866 31.505 32.500 -0.215 0.000 0.718 875 K HN 0.174 nan 8.250 nan 0.000 0.443 876 A N 1.863 124.505 122.820 -0.297 0.000 1.827 876 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 876 A C 2.378 179.623 177.584 -0.565 0.000 1.212 876 A CA 2.045 53.885 52.037 -0.327 0.000 0.624 876 A CB -0.977 17.862 19.000 -0.268 0.000 0.853 876 A HN 0.470 nan 8.150 nan 0.000 0.450 877 M N 0.050 119.272 119.600 -0.630 0.000 2.324 877 M HA -0.223 4.257 4.480 -0.000 0.000 0.255 877 M C 1.770 177.476 176.300 -0.990 0.000 1.088 877 M CA 1.846 56.632 55.300 -0.857 0.000 1.048 877 M CB -0.495 31.645 32.600 -0.766 0.000 1.383 877 M HN 0.479 nan 8.290 nan 0.000 0.418 878 V N -2.009 117.448 119.914 -0.762 0.000 2.871 878 V HA -0.063 4.057 4.120 -0.000 0.000 0.256 878 V C 0.243 175.543 176.094 -1.322 0.000 1.082 878 V CA 0.568 62.470 62.300 -0.663 0.000 1.105 878 V CB -1.077 30.619 31.823 -0.212 0.000 0.713 878 V HN 0.589 nan 8.190 nan 0.000 0.473 879 Q N -0.984 117.929 119.800 -1.479 0.000 2.702 879 Q HA 0.821 5.161 4.340 -0.000 0.000 0.289 879 Q C -1.093 175.045 176.000 0.230 0.000 0.923 879 Q CA -0.318 54.904 55.803 -0.968 0.000 0.787 879 Q CB 1.335 29.963 28.738 -0.183 0.000 1.476 879 Q HN 1.210 nan 8.270 nan 0.000 0.402 880 A N 0.529 123.956 122.820 1.012 0.000 2.272 880 A HA 0.575 4.895 4.320 -0.000 0.000 0.286 880 A C -3.030 174.778 177.584 0.374 0.000 0.977 880 A CA -0.694 51.699 52.037 0.593 0.000 0.822 880 A CB 0.949 20.297 19.000 0.580 0.000 0.955 880 A HN 0.600 nan 8.150 nan 0.000 0.349 881 P HA 0.456 nan 4.420 nan 0.000 0.303 881 P C -2.753 174.535 177.300 -0.019 0.000 1.370 881 P CA -1.506 61.576 63.100 -0.029 0.000 0.854 881 P CB 1.102 32.791 31.700 -0.018 0.000 0.946 882 P HA -0.207 nan 4.420 nan 0.000 0.258 882 P C 0.945 178.310 177.300 0.109 0.000 1.136 882 P CA 1.665 64.736 63.100 -0.047 0.000 0.761 882 P CB -0.362 31.235 31.700 -0.171 0.000 0.724 883 G N 1.920 110.811 108.800 0.151 0.000 2.162 883 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 883 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 883 G C -0.504 174.577 174.900 0.301 0.000 0.976 883 G CA -0.061 45.159 45.100 0.200 0.000 0.655 883 G HN 0.539 nan 8.290 nan 0.000 0.533 884 Y N 1.175 121.507 120.300 0.053 0.000 2.338 884 Y HA 0.611 5.161 4.550 -0.000 0.000 0.333 884 Y C 0.787 176.754 175.900 0.112 0.000 0.968 884 Y CA -0.402 57.748 58.100 0.082 0.000 1.123 884 Y CB 1.984 40.498 38.460 0.090 0.000 1.165 884 Y HN 0.158 nan 8.280 nan 0.000 0.452 885 T N 3.882 118.541 114.554 0.175 0.000 2.938 885 T HA 0.737 5.087 4.350 -0.000 0.000 0.285 885 T C -0.695 174.124 174.700 0.198 0.000 1.028 885 T CA -0.971 61.238 62.100 0.182 0.000 1.005 885 T CB 1.244 70.197 68.868 0.142 0.000 1.157 885 T HN 0.359 nan 8.240 nan 0.000 0.550 886 L N 1.158 122.494 121.223 0.189 0.000 2.377 886 L HA 0.551 4.891 4.340 -0.000 0.000 0.270 886 L C -0.895 176.077 176.870 0.170 0.000 0.991 886 L CA -1.185 53.770 54.840 0.192 0.000 0.851 886 L CB 1.338 43.508 42.059 0.185 0.000 1.218 886 L HN 0.318 nan 8.230 nan 0.000 0.420 887 V N 2.197 122.232 119.914 0.202 0.000 2.408 887 V HA 0.808 4.928 4.120 -0.000 0.000 0.267 887 V C 0.746 176.989 176.094 0.248 0.000 1.047 887 V CA -0.033 62.386 62.300 0.199 0.000 0.937 887 V CB 0.674 32.623 31.823 0.211 0.000 0.999 887 V HN 0.951 nan 8.190 nan 0.000 0.472 888 G N 2.769 111.680 108.800 0.184 0.000 2.749 888 G HA2 0.960 4.920 3.960 -0.000 0.000 0.300 888 G HA3 0.960 4.920 3.960 -0.000 0.000 0.300 888 G C -1.202 173.767 174.900 0.114 0.000 1.352 888 G CA -0.175 45.047 45.100 0.203 0.000 0.789 888 G HN 1.294 nan 8.290 nan 0.000 0.509 889 A N -0.714 122.148 122.820 0.071 0.000 2.569 889 A HA 0.585 4.905 4.320 -0.000 0.000 0.292 889 A C -0.843 176.640 177.584 -0.169 0.000 1.032 889 A CA -0.587 51.347 52.037 -0.172 0.000 0.669 889 A CB 0.484 19.154 19.000 -0.551 0.000 1.290 889 A HN 0.612 nan 8.150 nan 0.000 0.422 890 D N -0.793 119.429 120.400 -0.296 0.000 2.208 890 D HA 0.199 4.839 4.640 -0.000 0.000 0.234 890 D C 0.730 177.032 176.300 0.003 0.000 1.377 890 D CA 1.672 55.587 54.000 -0.143 0.000 0.913 890 D CB 1.032 41.739 40.800 -0.157 0.000 1.260 890 D HN 1.236 nan 8.370 nan 0.000 0.517 891 V N -0.572 119.380 119.914 0.063 0.000 4.785 891 V HA -0.108 4.012 4.120 -0.000 0.000 0.500 891 V C 0.816 176.987 176.094 0.129 0.000 1.953 891 V CA 0.860 63.255 62.300 0.159 0.000 2.247 891 V CB 0.123 32.044 31.823 0.163 0.000 1.045 891 V HN 0.542 nan 8.190 nan 0.000 0.421 892 D N 1.636 122.085 120.400 0.081 0.000 2.149 892 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 892 D C 2.113 178.438 176.300 0.042 0.000 0.972 892 D CA 2.210 56.257 54.000 0.078 0.000 0.835 892 D CB -0.205 40.650 40.800 0.092 0.000 0.966 892 D HN 0.674 nan 8.370 nan 0.000 0.476 893 S N 0.671 116.389 115.700 0.030 0.000 2.359 893 S HA -0.341 4.129 4.470 -0.000 0.000 0.223 893 S C 2.074 176.679 174.600 0.009 0.000 1.039 893 S CA 1.804 60.004 58.200 -0.001 0.000 1.042 893 S CB -0.888 62.302 63.200 -0.015 0.000 0.915 893 S HN 0.515 nan 8.310 nan 0.000 0.439 894 Q N 1.825 121.653 119.800 0.047 0.000 2.002 894 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 894 Q C 2.170 178.142 176.000 -0.047 0.000 0.988 894 Q CA 1.778 57.591 55.803 0.016 0.000 0.843 894 Q CB -1.179 27.659 28.738 0.166 0.000 0.908 894 Q HN 0.726 nan 8.270 nan 0.000 0.420 895 E N 1.097 121.300 120.200 0.005 0.000 2.136 895 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 895 E C 2.025 178.593 176.600 -0.053 0.000 1.019 895 E CA 1.124 57.516 56.400 -0.013 0.000 0.819 895 E CB -0.090 29.649 29.700 0.065 0.000 0.739 895 E HN 0.308 nan 8.360 nan 0.000 0.458 896 L N -0.482 120.697 121.223 -0.072 0.000 2.072 896 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 896 L C 2.313 179.133 176.870 -0.083 0.000 1.079 896 L CA 1.417 56.177 54.840 -0.133 0.000 0.752 896 L CB -1.659 40.295 42.059 -0.175 0.000 0.906 896 L HN 0.342 nan 8.230 nan 0.000 0.436 897 W N 1.322 122.474 121.300 -0.246 0.000 2.421 897 W HA -0.208 4.452 4.660 -0.000 0.000 0.270 897 W C 2.486 178.875 176.519 -0.218 0.000 1.233 897 W CA 1.944 59.112 57.345 -0.294 0.000 1.226 897 W CB -0.102 29.155 29.460 -0.339 0.000 1.121 897 W HN 0.299 nan 8.180 nan 0.000 0.579 898 I N -0.419 120.085 120.570 -0.109 0.000 2.133 898 I HA -0.157 4.013 4.170 -0.000 0.000 0.238 898 I C 2.243 178.300 176.117 -0.100 0.000 1.074 898 I CA 2.135 63.357 61.300 -0.130 0.000 1.342 898 I CB -1.289 36.666 38.000 -0.074 0.000 1.053 898 I HN -0.080 nan 8.210 nan 0.000 0.404 899 A N 1.432 124.230 122.820 -0.037 0.000 1.917 899 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 899 A C 2.568 180.146 177.584 -0.010 0.000 1.182 899 A CA 2.435 54.512 52.037 0.067 0.000 0.633 899 A CB -1.278 17.744 19.000 0.038 0.000 0.819 899 A HN 0.718 nan 8.150 nan 0.000 0.448 900 A N 0.008 122.737 122.820 -0.152 0.000 1.834 900 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 900 A C 2.398 179.806 177.584 -0.293 0.000 1.203 900 A CA 3.091 54.998 52.037 -0.215 0.000 0.621 900 A CB -1.575 17.230 19.000 -0.325 0.000 0.841 900 A HN 1.244 nan 8.150 nan 0.000 0.446 901 V N -1.838 117.754 119.914 -0.537 0.000 2.324 901 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 901 V C 2.251 178.179 176.094 -0.277 0.000 1.060 901 V CA 2.167 64.157 62.300 -0.517 0.000 1.042 901 V CB -1.363 30.011 31.823 -0.748 0.000 0.650 901 V HN 0.366 nan 8.190 nan 0.000 0.450 902 L N 2.143 123.266 121.223 -0.168 0.000 1.980 902 L HA -0.145 4.195 4.340 -0.000 0.000 0.232 902 L C 2.578 179.419 176.870 -0.048 0.000 1.092 902 L CA 2.864 57.677 54.840 -0.045 0.000 0.808 902 L CB -1.617 40.460 42.059 0.030 0.000 0.908 902 L HN 0.430 nan 8.230 nan 0.000 0.442 903 G N -1.109 107.690 108.800 -0.001 0.000 2.701 903 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 903 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 903 G C 1.140 175.692 174.900 -0.580 0.000 1.297 903 G CA 1.000 46.133 45.100 0.055 0.000 0.807 903 G HN 0.626 nan 8.290 nan 0.000 0.608 904 D N 1.556 121.474 120.400 -0.803 0.000 2.218 904 D HA -0.280 4.360 4.640 -0.000 0.000 0.194 904 D C 2.620 178.509 176.300 -0.686 0.000 1.007 904 D CA 1.638 55.039 54.000 -0.997 0.000 0.879 904 D CB -0.962 39.574 40.800 -0.441 0.000 0.918 904 D HN 0.388 nan 8.370 nan 0.000 0.449 905 A N 0.849 123.437 122.820 -0.386 0.000 1.903 905 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 905 A C 2.141 179.649 177.584 -0.127 0.000 1.191 905 A CA 2.227 54.143 52.037 -0.202 0.000 0.638 905 A CB -1.093 17.846 19.000 -0.103 0.000 0.823 905 A HN 0.305 nan 8.150 nan 0.000 0.451 906 H N -1.371 117.588 119.070 -0.184 0.000 2.462 906 H HA 0.109 4.665 4.556 -0.000 0.000 0.292 906 H C -0.318 175.104 175.328 0.157 0.000 1.049 906 H CA 0.898 56.964 56.048 0.029 0.000 1.334 906 H CB -0.078 29.794 29.762 0.184 0.000 1.404 906 H HN 0.521 nan 8.280 nan 0.000 0.544 907 F N -0.921 119.039 119.950 0.017 0.000 2.347 907 F HA 0.650 5.177 4.527 -0.000 0.000 0.366 907 F C 0.883 176.659 175.800 -0.041 0.000 1.107 907 F CA -0.992 56.990 58.000 -0.030 0.000 1.058 907 F CB -0.019 38.972 39.000 -0.015 0.000 1.236 907 F HN 0.205 nan 8.300 nan 0.000 0.456 908 A N 1.945 124.795 122.820 0.049 0.000 5.585 908 A HA -0.023 4.297 4.320 -0.000 0.000 0.295 908 A C 1.039 178.597 177.584 -0.044 0.000 1.985 908 A CA 0.608 52.651 52.037 0.010 0.000 0.716 908 A CB -1.979 17.055 19.000 0.057 0.000 1.237 908 A HN 1.998 nan 8.150 nan 0.000 0.371 909 G N -1.952 106.841 108.800 -0.012 0.000 2.340 909 G HA2 0.438 4.398 3.960 -0.000 0.000 0.245 909 G HA3 0.438 4.398 3.960 -0.000 0.000 0.245 909 G C 0.911 175.771 174.900 -0.068 0.000 1.294 909 G CA 0.729 45.830 45.100 0.002 0.000 0.896 909 G HN 1.613 nan 8.290 nan 0.000 0.522 910 M N 2.419 121.951 119.600 -0.114 0.000 2.202 910 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 910 M C 1.827 178.006 176.300 -0.202 0.000 1.063 910 M CA 1.824 56.999 55.300 -0.208 0.000 1.097 910 M CB -1.023 31.437 32.600 -0.233 0.000 1.382 910 M HN 0.715 nan 8.290 nan 0.000 0.413 911 H N 0.394 119.428 119.070 -0.059 0.000 2.387 911 H HA 0.064 4.620 4.556 -0.000 0.000 0.299 911 H C 1.872 177.185 175.328 -0.026 0.000 1.099 911 H CA 1.917 57.944 56.048 -0.034 0.000 1.315 911 H CB -0.693 28.992 29.762 -0.128 0.000 1.380 911 H HN 0.669 nan 8.280 nan 0.000 0.513 912 G N -0.836 107.981 108.800 0.028 0.000 5.426 912 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.297 912 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.297 912 G C 1.250 176.166 174.900 0.028 0.000 1.422 912 G CA 1.594 46.650 45.100 -0.074 0.000 0.938 912 G HN 0.939 nan 8.290 nan 0.000 0.754 913 C N -4.460 114.892 119.300 0.087 0.000 3.451 913 C HA 0.402 4.862 4.460 -0.000 0.000 0.129 913 C C 2.053 177.143 174.990 0.168 0.000 2.904 913 C CA 1.654 60.765 59.018 0.155 0.000 0.827 913 C CB -0.227 27.633 27.740 0.200 0.000 1.931 913 C HN 0.961 nan 8.230 nan 0.000 0.613 914 T N 1.635 116.273 114.554 0.141 0.000 3.014 914 T HA 0.337 4.687 4.350 -0.000 0.000 0.263 914 T C 1.922 176.778 174.700 0.261 0.000 1.078 914 T CA 1.783 63.995 62.100 0.187 0.000 1.135 914 T CB -0.310 68.557 68.868 -0.001 0.000 0.895 914 T HN 0.967 nan 8.240 nan 0.000 0.480 915 A N 1.370 124.264 122.820 0.123 0.000 1.819 915 A HA 0.080 4.400 4.320 -0.000 0.000 0.215 915 A C 1.858 179.496 177.584 0.090 0.000 1.226 915 A CA 1.070 53.131 52.037 0.041 0.000 0.608 915 A CB -0.966 17.972 19.000 -0.104 0.000 0.877 915 A HN 0.392 nan 8.150 nan 0.000 0.452 916 F N 0.802 120.727 119.950 -0.042 0.000 2.416 916 F HA 0.170 4.697 4.527 -0.000 0.000 0.296 916 F C 2.389 178.221 175.800 0.054 0.000 1.099 916 F CA 0.406 58.422 58.000 0.027 0.000 1.427 916 F CB -0.829 38.206 39.000 0.058 0.000 1.079 916 F HN 0.225 nan 8.300 nan 0.000 0.536 917 G N -0.304 108.683 108.800 0.313 0.000 2.408 917 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 917 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 917 G C 1.768 176.828 174.900 0.266 0.000 1.150 917 G CA 0.597 45.818 45.100 0.202 0.000 0.776 917 G HN 0.570 nan 8.290 nan 0.000 0.542 918 W N 0.427 121.783 121.300 0.093 0.000 2.379 918 W HA -0.043 4.617 4.660 -0.000 0.000 0.307 918 W C 2.152 178.731 176.519 0.100 0.000 1.200 918 W CA 0.925 58.304 57.345 0.057 0.000 1.297 918 W CB 0.001 29.455 29.460 -0.010 0.000 1.140 918 W HN 0.209 nan 8.180 nan 0.000 0.507 919 M N 1.384 120.857 119.600 -0.212 0.000 2.446 919 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 919 M C 1.335 177.616 176.300 -0.031 0.000 1.066 919 M CA 1.878 57.007 55.300 -0.285 0.000 1.087 919 M CB -1.105 31.419 32.600 -0.127 0.000 1.406 919 M HN 0.081 nan 8.290 nan 0.000 0.459 920 T N -1.213 113.426 114.554 0.141 0.000 0.555 920 T HA -0.296 4.054 4.350 -0.000 0.000 0.772 920 T C 0.983 175.786 174.700 0.172 0.000 0.991 920 T CA 1.709 63.880 62.100 0.119 0.000 4.066 920 T CB -0.646 68.218 68.868 -0.007 0.000 2.298 920 T HN 0.296 nan 8.240 nan 0.000 0.398 921 L N 1.584 122.791 121.223 -0.027 0.000 2.005 921 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 921 L C 1.982 178.897 176.870 0.076 0.000 1.072 921 L CA 1.734 56.544 54.840 -0.051 0.000 0.744 921 L CB -0.892 41.096 42.059 -0.118 0.000 0.895 921 L HN 0.814 nan 8.230 nan 0.000 0.433 922 Q N 1.484 121.287 119.800 0.006 0.000 2.492 922 Q HA -0.128 4.212 4.340 -0.000 0.000 0.366 922 Q C 0.601 176.582 176.000 -0.032 0.000 1.172 922 Q CA 1.364 57.155 55.803 -0.019 0.000 1.089 922 Q CB 0.668 29.375 28.738 -0.052 0.000 1.174 922 Q HN 0.403 nan 8.270 nan 0.000 0.421 923 G N 2.646 111.431 108.800 -0.024 0.000 2.571 923 G HA2 0.045 4.005 3.960 -0.000 0.000 0.204 923 G HA3 0.045 4.005 3.960 -0.000 0.000 0.204 923 G C -0.387 174.499 174.900 -0.023 0.000 1.315 923 G CA -0.086 44.998 45.100 -0.027 0.000 0.593 923 G HN 0.706 nan 8.290 nan 0.000 1.002 924 R N 0.928 121.420 120.500 -0.012 0.000 2.837 924 R HA -0.220 4.120 4.340 -0.000 0.000 0.264 924 R C 1.501 177.800 176.300 -0.002 0.000 0.906 924 R CA 0.961 57.058 56.100 -0.005 0.000 0.711 924 R CB -1.269 29.027 30.300 -0.006 0.000 1.701 924 R HN 0.838 nan 8.270 nan 0.000 0.514 925 K N -2.595 117.805 120.400 -0.001 0.000 3.483 925 K HA -0.349 3.971 4.320 -0.000 0.000 0.297 925 K C -0.130 176.470 176.600 -0.001 0.000 1.169 925 K CA 2.341 58.628 56.287 0.000 0.000 1.029 925 K CB -1.237 31.265 32.500 0.002 0.000 1.370 925 K HN 0.348 nan 8.250 nan 0.000 0.410 926 S N 1.050 116.750 115.700 -0.000 0.000 2.751 926 S HA 0.261 4.731 4.470 -0.000 0.000 0.247 926 S C -0.197 174.403 174.600 0.000 0.000 1.103 926 S CA -0.047 58.154 58.200 0.002 0.000 1.090 926 S CB 0.685 63.890 63.200 0.008 0.000 0.928 926 S HN 0.492 nan 8.310 nan 0.000 0.502 927 R N 0.149 120.645 120.500 -0.006 0.000 3.797 927 R HA -0.221 4.119 4.340 -0.000 0.000 0.502 927 R C 0.996 177.285 176.300 -0.018 0.000 0.241 927 R CA 1.186 57.278 56.100 -0.012 0.000 1.568 927 R CB -1.428 28.864 30.300 -0.014 0.000 1.016 927 R HN 0.494 nan 8.270 nan 0.000 0.558 928 G N -1.089 107.695 108.800 -0.026 0.000 2.813 928 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.209 928 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.209 928 G C 1.119 176.019 174.900 0.001 0.000 1.150 928 G CA 1.001 46.074 45.100 -0.046 0.000 0.785 928 G HN 0.620 nan 8.290 nan 0.000 0.535 929 T N 0.490 115.060 114.554 0.026 0.000 2.857 929 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 929 T C 2.082 176.863 174.700 0.135 0.000 1.048 929 T CA 1.562 63.714 62.100 0.087 0.000 1.139 929 T CB -0.255 68.635 68.868 0.035 0.000 0.874 929 T HN 0.381 nan 8.240 nan 0.000 0.455 930 D N 0.710 121.144 120.400 0.056 0.000 2.218 930 D HA -0.071 4.569 4.640 -0.000 0.000 0.204 930 D C 1.825 178.137 176.300 0.020 0.000 0.976 930 D CA 0.950 54.972 54.000 0.037 0.000 0.853 930 D CB -0.250 40.558 40.800 0.013 0.000 0.939 930 D HN 0.461 nan 8.370 nan 0.000 0.481 931 L N -0.180 121.043 121.223 -0.001 0.000 2.416 931 L HA 0.041 4.381 4.340 -0.000 0.000 0.216 931 L C 2.611 179.496 176.870 0.024 0.000 1.098 931 L CA 0.467 55.273 54.840 -0.057 0.000 0.840 931 L CB -0.582 41.357 42.059 -0.201 0.000 0.981 931 L HN 0.163 nan 8.230 nan 0.000 0.462 932 H N -0.042 119.063 119.070 0.058 0.000 2.372 932 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 932 H C 2.249 177.674 175.328 0.162 0.000 1.065 932 H CA 1.574 57.743 56.048 0.202 0.000 1.364 932 H CB -0.074 29.752 29.762 0.107 0.000 1.406 932 H HN 0.265 nan 8.280 nan 0.000 0.521 933 S N 1.739 117.152 115.700 -0.478 0.000 2.374 933 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 933 S C 2.243 176.719 174.600 -0.205 0.000 1.037 933 S CA 2.099 60.062 58.200 -0.394 0.000 1.024 933 S CB -0.598 62.603 63.200 0.002 0.000 0.861 933 S HN 0.703 nan 8.310 nan 0.000 0.456 934 K N -0.310 120.051 120.400 -0.064 0.000 2.293 934 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 934 K C 1.817 178.434 176.600 0.028 0.000 1.045 934 K CA 1.910 58.209 56.287 0.020 0.000 0.933 934 K CB -0.794 31.754 32.500 0.081 0.000 0.736 934 K HN 0.446 nan 8.250 nan 0.000 0.463 935 T N -1.039 113.498 114.554 -0.028 0.000 3.060 935 T HA 0.297 4.647 4.350 -0.000 0.000 0.249 935 T C 1.415 176.089 174.700 -0.044 0.000 1.079 935 T CA 0.541 62.632 62.100 -0.014 0.000 1.013 935 T CB 0.065 68.945 68.868 0.021 0.000 0.975 935 T HN 0.437 nan 8.240 nan 0.000 0.518 936 A N 0.273 123.023 122.820 -0.117 0.000 1.943 936 A HA 0.108 4.428 4.320 -0.000 0.000 0.213 936 A C 2.380 179.977 177.584 0.022 0.000 1.181 936 A CA 1.479 53.514 52.037 -0.002 0.000 0.653 936 A CB -0.827 18.173 19.000 -0.000 0.000 0.833 936 A HN 0.477 nan 8.150 nan 0.000 0.451 937 T N 1.061 115.614 114.554 -0.001 0.000 2.684 937 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 937 T C 1.252 175.966 174.700 0.023 0.000 1.036 937 T CA 1.567 63.676 62.100 0.015 0.000 1.148 937 T CB -1.006 67.870 68.868 0.014 0.000 0.863 937 T HN 0.708 nan 8.240 nan 0.000 0.436 938 T N 0.989 115.557 114.554 0.023 0.000 2.761 938 T HA 0.384 4.734 4.350 -0.000 0.000 0.287 938 T C 0.456 175.174 174.700 0.031 0.000 0.931 938 T CA -0.453 61.663 62.100 0.026 0.000 1.164 938 T CB 0.451 69.332 68.868 0.022 0.000 0.876 938 T HN 0.209 nan 8.240 nan 0.000 0.534 939 V N 1.137 121.069 119.914 0.030 0.000 5.509 939 V HA -0.140 3.980 4.120 -0.000 0.000 0.309 939 V C 1.353 177.471 176.094 0.041 0.000 0.360 939 V CA 0.111 62.433 62.300 0.036 0.000 0.741 939 V CB -2.425 29.428 31.823 0.050 0.000 0.564 939 V HN 1.585 nan 8.190 nan 0.000 1.466 940 G N 0.490 109.310 108.800 0.032 0.000 2.816 940 G HA2 0.042 4.002 3.960 -0.000 0.000 0.341 940 G HA3 0.042 4.002 3.960 -0.000 0.000 0.341 940 G C -0.416 174.506 174.900 0.036 0.000 0.171 940 G CA 1.645 46.763 45.100 0.030 0.000 1.218 940 G HN 1.255 nan 8.290 nan 0.000 0.433 941 I N 0.030 120.628 120.570 0.046 0.000 2.959 941 I HA 0.334 4.504 4.170 -0.000 0.000 0.309 941 I C 0.440 176.600 176.117 0.071 0.000 1.604 941 I CA -0.830 60.502 61.300 0.054 0.000 0.932 941 I CB 1.197 39.240 38.000 0.071 0.000 1.334 941 I HN 0.508 nan 8.210 nan 0.000 0.590 942 S N 0.912 116.654 115.700 0.071 0.000 2.559 942 S HA 0.140 4.610 4.470 -0.000 0.000 0.282 942 S C 0.878 175.560 174.600 0.137 0.000 1.336 942 S CA 0.569 58.817 58.200 0.080 0.000 1.037 942 S CB 0.600 63.832 63.200 0.053 0.000 0.853 942 S HN 0.594 nan 8.310 nan 0.000 0.523 943 R N 1.957 122.537 120.500 0.134 0.000 2.102 943 R HA 0.148 4.488 4.340 -0.000 0.000 0.208 943 R C 2.343 178.748 176.300 0.176 0.000 1.131 943 R CA 0.565 56.795 56.100 0.217 0.000 1.054 943 R CB -0.453 29.988 30.300 0.236 0.000 0.954 943 R HN 0.696 nan 8.270 nan 0.000 0.465 944 E N 0.633 120.874 120.200 0.068 0.000 2.065 944 E HA -0.279 4.071 4.350 -0.000 0.000 0.201 944 E C 1.901 178.464 176.600 -0.061 0.000 1.016 944 E CA 1.491 57.863 56.400 -0.047 0.000 0.818 944 E CB -0.227 29.447 29.700 -0.044 0.000 0.749 944 E HN 0.394 nan 8.360 nan 0.000 0.453 945 H N -0.462 118.558 119.070 -0.084 0.000 2.431 945 H HA -0.213 4.343 4.556 -0.000 0.000 0.297 945 H C 1.921 177.235 175.328 -0.022 0.000 1.115 945 H CA 1.178 57.180 56.048 -0.076 0.000 1.277 945 H CB 0.146 29.894 29.762 -0.023 0.000 1.372 945 H HN 0.220 nan 8.280 nan 0.000 0.516 946 A N 1.448 124.279 122.820 0.019 0.000 1.840 946 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 946 A C 2.327 179.257 177.584 -1.091 0.000 1.198 946 A CA 1.567 53.357 52.037 -0.412 0.000 0.608 946 A CB -0.298 18.873 19.000 0.285 0.000 0.839 946 A HN 0.474 nan 8.150 nan 0.000 0.443 947 K N 0.717 120.673 120.400 -0.740 0.000 2.089 947 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 947 K C 1.905 178.192 176.600 -0.522 0.000 1.048 947 K CA 1.898 57.707 56.287 -0.796 0.000 0.926 947 K CB -0.924 31.108 32.500 -0.781 0.000 0.714 947 K HN 0.708 nan 8.250 nan 0.000 0.448 948 I N 0.805 121.027 120.570 -0.579 0.000 2.179 948 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 948 I C 2.628 178.628 176.117 -0.195 0.000 1.088 948 I CA 1.631 62.641 61.300 -0.484 0.000 1.357 948 I CB -1.319 36.443 38.000 -0.396 0.000 1.051 948 I HN 0.079 nan 8.210 nan 0.000 0.409 949 F N 2.616 122.511 119.950 -0.092 0.000 2.293 949 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 949 F C 2.087 177.902 175.800 0.025 0.000 1.086 949 F CA 0.796 58.777 58.000 -0.033 0.000 1.375 949 F CB -1.804 37.156 39.000 -0.067 0.000 1.045 949 F HN -0.001 nan 8.300 nan 0.000 0.516 950 N N 0.322 118.945 118.700 -0.129 0.000 2.166 950 N HA -0.206 4.534 4.740 -0.000 0.000 0.186 950 N C 1.763 177.280 175.510 0.012 0.000 1.019 950 N CA 1.509 54.583 53.050 0.040 0.000 0.856 950 N CB -0.732 37.693 38.487 -0.103 0.000 0.993 950 N HN 0.323 nan 8.380 nan 0.000 0.426 951 Y N 1.390 121.604 120.300 -0.144 0.000 2.114 951 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 951 Y C 2.654 178.593 175.900 0.065 0.000 1.165 951 Y CA 1.337 59.409 58.100 -0.047 0.000 1.148 951 Y CB -1.055 37.473 38.460 0.113 0.000 0.972 951 Y HN 0.079 nan 8.280 nan 0.000 0.504 952 G N -0.582 108.406 108.800 0.314 0.000 2.440 952 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 952 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 952 G C 1.844 176.795 174.900 0.086 0.000 1.154 952 G CA 0.904 46.166 45.100 0.269 0.000 0.767 952 G HN 0.292 nan 8.290 nan 0.000 0.552 953 R N -0.222 120.292 120.500 0.023 0.000 2.096 953 R HA -0.000 4.340 4.340 -0.000 0.000 0.240 953 R C 1.221 177.271 176.300 -0.417 0.000 1.139 953 R CA 0.455 56.473 56.100 -0.137 0.000 0.952 953 R CB -0.442 29.789 30.300 -0.116 0.000 0.854 953 R HN 0.323 nan 8.270 nan 0.000 0.436 954 I N 0.546 120.743 120.570 -0.621 0.000 3.112 954 I HA -0.155 4.015 4.170 -0.000 0.000 0.284 954 I C 0.688 176.331 176.117 -0.791 0.000 1.227 954 I CA 0.282 60.848 61.300 -1.222 0.000 1.369 954 I CB 0.140 37.229 38.000 -1.518 0.000 1.376 954 I HN 0.296 nan 8.210 nan 0.000 0.608 955 Y N 1.974 122.209 120.300 -0.109 0.000 2.865 955 Y HA -0.311 4.239 4.550 -0.000 0.000 0.468 955 Y C 1.345 177.312 175.900 0.112 0.000 1.176 955 Y CA 0.760 59.043 58.100 0.306 0.000 2.599 955 Y CB -2.350 36.187 38.460 0.129 0.000 1.207 955 Y HN 0.646 nan 8.280 nan 0.000 0.627 956 G N 1.286 110.201 108.800 0.191 0.000 3.026 956 G HA2 0.287 4.247 3.960 -0.000 0.000 0.232 956 G HA3 0.287 4.247 3.960 -0.000 0.000 0.232 956 G C 0.154 174.865 174.900 -0.315 0.000 1.241 956 G CA 0.300 45.309 45.100 -0.151 0.000 0.858 956 G HN 1.336 nan 8.290 nan 0.000 0.592 957 A N 0.492 122.837 122.820 -0.792 0.000 2.371 957 A HA 0.701 5.021 4.320 -0.000 0.000 0.257 957 A C 1.114 178.372 177.584 -0.543 0.000 1.089 957 A CA 0.472 52.087 52.037 -0.704 0.000 0.794 957 A CB 0.699 19.148 19.000 -0.917 0.000 1.029 957 A HN 1.400 nan 8.150 nan 0.000 0.488 958 G N -0.688 108.096 108.800 -0.027 0.000 3.286 958 G HA2 0.396 4.356 3.960 -0.000 0.000 0.173 958 G HA3 0.396 4.356 3.960 -0.000 0.000 0.173 958 G C 0.427 175.395 174.900 0.113 0.000 1.704 958 G CA 0.659 45.838 45.100 0.132 0.000 1.041 958 G HN 0.914 nan 8.290 nan 0.000 0.561 959 Q N -0.187 119.654 119.800 0.067 0.000 2.398 959 Q HA -0.294 4.046 4.340 -0.000 0.000 0.434 959 Q C -0.649 175.414 176.000 0.105 0.000 0.559 959 Q CA 2.157 57.968 55.803 0.013 0.000 0.984 959 Q CB -2.166 26.489 28.738 -0.137 0.000 2.232 959 Q HN 0.456 nan 8.270 nan 0.000 0.978 960 P HA -0.176 nan 4.420 nan 0.000 0.214 960 P C 1.314 178.746 177.300 0.219 0.000 1.163 960 P CA 2.187 65.384 63.100 0.161 0.000 0.883 960 P CB -0.377 31.408 31.700 0.141 0.000 0.788 961 F N 0.889 120.888 119.950 0.080 0.000 2.154 961 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 961 F C 2.782 178.627 175.800 0.075 0.000 1.087 961 F CA 1.171 59.231 58.000 0.100 0.000 1.274 961 F CB -2.054 36.996 39.000 0.084 0.000 1.009 961 F HN -0.012 nan 8.300 nan 0.000 0.485 962 A N 0.685 123.669 122.820 0.273 0.000 1.845 962 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 962 A C 2.211 179.846 177.584 0.084 0.000 1.195 962 A CA 1.834 53.939 52.037 0.113 0.000 0.616 962 A CB -0.971 18.056 19.000 0.046 0.000 0.832 962 A HN 0.523 nan 8.150 nan 0.000 0.443 963 E N -0.171 120.082 120.200 0.088 0.000 2.085 963 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 963 E C 2.210 178.871 176.600 0.101 0.000 0.994 963 E CA 1.103 57.548 56.400 0.074 0.000 0.801 963 E CB -0.413 29.323 29.700 0.059 0.000 0.743 963 E HN 0.520 nan 8.360 nan 0.000 0.453 964 R N 0.757 121.322 120.500 0.108 0.000 2.080 964 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 964 R C 2.645 179.038 176.300 0.156 0.000 1.137 964 R CA 1.532 57.693 56.100 0.101 0.000 0.943 964 R CB -0.589 29.752 30.300 0.068 0.000 0.846 964 R HN 0.234 nan 8.270 nan 0.000 0.431 965 L N 0.777 122.122 121.223 0.202 0.000 1.990 965 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 965 L C 2.612 179.729 176.870 0.412 0.000 1.072 965 L CA 1.395 56.424 54.840 0.314 0.000 0.755 965 L CB -0.626 41.589 42.059 0.260 0.000 0.889 965 L HN 0.247 nan 8.230 nan 0.000 0.432 966 L N -1.261 120.122 121.223 0.265 0.000 1.951 966 L HA -0.339 4.001 4.340 -0.000 0.000 0.222 966 L C 2.705 179.774 176.870 0.332 0.000 1.078 966 L CA 1.629 56.635 54.840 0.277 0.000 0.778 966 L CB -0.362 41.772 42.059 0.125 0.000 0.893 966 L HN 0.257 nan 8.230 nan 0.000 0.436 967 M N -0.632 119.104 119.600 0.228 0.000 2.204 967 M HA -0.357 4.123 4.480 -0.000 0.000 0.255 967 M C 2.323 178.786 176.300 0.272 0.000 1.073 967 M CA 2.021 57.445 55.300 0.206 0.000 1.084 967 M CB -0.501 32.179 32.600 0.133 0.000 1.289 967 M HN 0.228 nan 8.290 nan 0.000 0.419 968 Q N -1.046 118.904 119.800 0.251 0.000 1.998 968 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 968 Q C 2.170 178.448 176.000 0.464 0.000 1.002 968 Q CA 2.477 58.484 55.803 0.340 0.000 0.858 968 Q CB -0.932 27.915 28.738 0.182 0.000 0.932 968 Q HN 0.580 nan 8.270 nan 0.000 0.416 969 F N 1.028 121.272 119.950 0.490 0.000 2.259 969 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 969 F C 1.634 177.625 175.800 0.320 0.000 1.088 969 F CA 0.258 58.439 58.000 0.302 0.000 1.358 969 F CB -0.142 39.062 39.000 0.339 0.000 1.040 969 F HN 0.042 nan 8.300 nan 0.000 0.505 970 N N -0.507 118.486 118.700 0.488 0.000 2.366 970 N HA 0.076 4.816 4.740 -0.000 0.000 0.277 970 N C 0.263 176.185 175.510 0.686 0.000 1.275 970 N CA -0.048 53.222 53.050 0.367 0.000 0.964 970 N CB 0.406 39.030 38.487 0.229 0.000 1.167 970 N HN 0.071 nan 8.380 nan 0.000 0.568 971 H N 0.642 119.789 119.070 0.128 0.000 3.977 971 H HA 0.311 4.867 4.556 -0.000 0.000 0.161 971 H C 1.193 176.569 175.328 0.079 0.000 1.259 971 H CA 0.500 56.611 56.048 0.106 0.000 1.319 971 H CB -0.109 29.705 29.762 0.088 0.000 1.481 971 H HN 0.365 nan 8.280 nan 0.000 0.404 972 R N 1.159 121.793 120.500 0.223 0.000 2.280 972 R HA 0.202 4.542 4.340 -0.000 0.000 0.195 972 R C 1.916 178.264 176.300 0.080 0.000 0.935 972 R CA 0.126 56.297 56.100 0.119 0.000 1.033 972 R CB 0.103 30.472 30.300 0.114 0.000 0.964 972 R HN 0.165 nan 8.270 nan 0.000 0.489 973 L N 1.489 122.765 121.223 0.089 0.000 2.261 973 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 973 L C 0.853 177.747 176.870 0.040 0.000 1.114 973 L CA 1.056 55.931 54.840 0.058 0.000 0.777 973 L CB -1.854 40.242 42.059 0.061 0.000 0.910 973 L HN 0.394 nan 8.230 nan 0.000 0.440 974 T N -3.323 111.259 114.554 0.047 0.000 0.542 974 T HA -0.459 3.891 4.350 -0.000 0.000 0.774 974 T C 0.841 175.537 174.700 -0.006 0.000 0.992 974 T CA 1.273 63.376 62.100 0.004 0.000 4.076 974 T CB -0.332 68.508 68.868 -0.047 0.000 2.303 974 T HN 0.456 nan 8.240 nan 0.000 0.398 975 Q N 0.331 120.102 119.800 -0.048 0.000 2.156 975 Q HA -0.329 4.011 4.340 -0.000 0.000 0.211 975 Q C 2.582 178.572 176.000 -0.015 0.000 0.995 975 Q CA 2.599 58.382 55.803 -0.033 0.000 0.877 975 Q CB -0.314 28.384 28.738 -0.066 0.000 0.920 975 Q HN 0.775 nan 8.270 nan 0.000 0.416 976 Q N -0.080 119.706 119.800 -0.023 0.000 2.014 976 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 976 Q C 1.711 177.712 176.000 0.002 0.000 0.993 976 Q CA 2.166 57.962 55.803 -0.011 0.000 0.850 976 Q CB 0.021 28.751 28.738 -0.013 0.000 0.916 976 Q HN 0.518 nan 8.270 nan 0.000 0.417 977 E N -0.435 119.771 120.200 0.009 0.000 2.216 977 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 977 E C 1.894 178.507 176.600 0.022 0.000 0.988 977 E CA 0.550 56.961 56.400 0.017 0.000 0.834 977 E CB -0.059 29.655 29.700 0.025 0.000 0.772 977 E HN 0.453 nan 8.360 nan 0.000 0.479 978 A N 1.934 124.771 122.820 0.028 0.000 1.902 978 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 978 A C 2.434 180.033 177.584 0.026 0.000 1.181 978 A CA 1.654 53.713 52.037 0.037 0.000 0.623 978 A CB -0.575 18.455 19.000 0.050 0.000 0.818 978 A HN 0.284 nan 8.150 nan 0.000 0.443 979 A N 0.287 123.119 122.820 0.019 0.000 1.858 979 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 979 A C 1.895 179.486 177.584 0.013 0.000 1.190 979 A CA 1.695 53.741 52.037 0.015 0.000 0.617 979 A CB -0.740 18.265 19.000 0.008 0.000 0.827 979 A HN 0.653 nan 8.150 nan 0.000 0.443 980 E N -0.069 120.138 120.200 0.011 0.000 2.049 980 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 980 E C 2.032 178.639 176.600 0.010 0.000 1.007 980 E CA 1.388 57.795 56.400 0.011 0.000 0.809 980 E CB -0.268 29.438 29.700 0.010 0.000 0.749 980 E HN 0.409 nan 8.360 nan 0.000 0.450 981 K N 0.691 121.095 120.400 0.007 0.000 2.001 981 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 981 K C 2.297 178.888 176.600 -0.015 0.000 1.048 981 K CA 1.154 57.439 56.287 -0.005 0.000 0.932 981 K CB -0.584 31.910 32.500 -0.010 0.000 0.715 981 K HN 0.128 nan 8.250 nan 0.000 0.437 982 A N 2.028 124.841 122.820 -0.011 0.000 1.908 982 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 982 A C 2.227 179.833 177.584 0.037 0.000 1.181 982 A CA 1.477 53.512 52.037 -0.004 0.000 0.627 982 A CB -0.373 18.641 19.000 0.022 0.000 0.818 982 A HN 0.302 nan 8.150 nan 0.000 0.445 983 Q N -0.456 119.363 119.800 0.031 0.000 2.020 983 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 983 Q C 2.252 178.295 176.000 0.071 0.000 0.982 983 Q CA 1.941 57.771 55.803 0.045 0.000 0.838 983 Q CB -0.502 28.248 28.738 0.020 0.000 0.899 983 Q HN 0.839 nan 8.270 nan 0.000 0.423 984 Q N -0.099 119.723 119.800 0.036 0.000 2.112 984 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 984 Q C 2.178 178.188 176.000 0.016 0.000 0.987 984 Q CA 1.726 57.544 55.803 0.025 0.000 0.858 984 Q CB -0.177 28.566 28.738 0.008 0.000 0.905 984 Q HN 0.394 nan 8.270 nan 0.000 0.420 985 M N -1.078 118.524 119.600 0.002 0.000 2.064 985 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 985 M C 2.097 178.388 176.300 -0.014 0.000 1.073 985 M CA 1.552 56.836 55.300 -0.027 0.000 1.124 985 M CB -0.640 31.910 32.600 -0.083 0.000 1.326 985 M HN 0.181 nan 8.290 nan 0.000 0.410 986 Y N 1.336 121.590 120.300 -0.077 0.000 2.181 986 Y HA -0.330 4.220 4.550 -0.000 0.000 0.284 986 Y C 2.348 178.204 175.900 -0.072 0.000 1.179 986 Y CA 1.833 59.886 58.100 -0.079 0.000 1.179 986 Y CB -0.263 38.159 38.460 -0.064 0.000 0.973 986 Y HN 0.205 nan 8.280 nan 0.000 0.519 987 A N 0.470 123.377 122.820 0.144 0.000 1.841 987 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 987 A C 2.464 180.025 177.584 -0.038 0.000 1.195 987 A CA 1.790 53.874 52.037 0.079 0.000 0.611 987 A CB -1.677 17.378 19.000 0.092 0.000 0.835 987 A HN 0.642 nan 8.150 nan 0.000 0.443 988 A N -0.131 122.662 122.820 -0.045 0.000 1.873 988 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 988 A C 2.249 179.755 177.584 -0.131 0.000 1.269 988 A CA 3.289 55.283 52.037 -0.071 0.000 0.671 988 A CB -1.787 17.165 19.000 -0.081 0.000 0.842 988 A HN 0.831 nan 8.150 nan 0.000 0.460 989 T N -2.095 112.331 114.554 -0.212 0.000 3.160 989 T HA 0.232 4.582 4.350 -0.000 0.000 0.257 989 T C 0.546 175.053 174.700 -0.323 0.000 1.147 989 T CA 1.137 63.061 62.100 -0.294 0.000 1.064 989 T CB -0.178 68.480 68.868 -0.351 0.000 0.949 989 T HN 0.635 nan 8.240 nan 0.000 0.526 990 K N 0.057 120.263 120.400 -0.323 0.000 3.199 990 K HA 0.316 4.636 4.320 -0.000 0.000 0.181 990 K C 1.587 178.093 176.600 -0.158 0.000 1.067 990 K CA -0.295 55.768 56.287 -0.373 0.000 1.021 990 K CB 0.366 32.348 32.500 -0.863 0.000 0.688 990 K HN 0.131 nan 8.250 nan 0.000 0.415 991 G N 1.274 110.036 108.800 -0.063 0.000 2.414 991 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 991 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 991 G C 0.911 175.848 174.900 0.062 0.000 1.188 991 G CA 0.364 45.482 45.100 0.030 0.000 0.783 991 G HN 0.116 nan 8.290 nan 0.000 0.537 992 L N 0.245 121.495 121.223 0.045 0.000 2.236 992 L HA 0.086 4.426 4.340 -0.000 0.000 0.215 992 L C 0.978 177.907 176.870 0.098 0.000 1.175 992 L CA 0.344 55.221 54.840 0.062 0.000 0.825 992 L CB -0.078 42.013 42.059 0.053 0.000 1.129 992 L HN 0.216 nan 8.230 nan 0.000 0.612 993 R N -0.054 120.518 120.500 0.120 0.000 2.265 993 R HA 0.027 4.367 4.340 -0.000 0.000 0.319 993 R C -0.975 175.519 176.300 0.323 0.000 1.006 993 R CA -0.278 55.930 56.100 0.180 0.000 0.880 993 R CB -0.338 30.054 30.300 0.152 0.000 1.077 993 R HN 0.605 nan 8.270 nan 0.000 0.454 994 W N 5.826 127.176 121.300 0.083 0.000 4.148 994 W HA -0.300 4.360 4.660 -0.000 0.000 0.370 994 W C -0.608 176.057 176.519 0.243 0.000 1.423 994 W CA 1.589 59.010 57.345 0.126 0.000 0.769 994 W CB -1.942 27.580 29.460 0.104 0.000 2.559 994 W HN 0.947 nan 8.180 nan 0.000 1.292 995 Y N -0.777 119.643 120.300 0.200 0.000 4.430 995 Y HA -0.282 4.268 4.550 -0.000 0.000 0.246 995 Y C 0.015 175.990 175.900 0.125 0.000 1.182 995 Y CA 1.281 59.469 58.100 0.147 0.000 2.128 995 Y CB -1.519 37.044 38.460 0.171 0.000 1.629 995 Y HN 0.254 nan 8.280 nan 0.000 0.726 996 R N 1.644 122.070 120.500 -0.123 0.000 2.867 996 R HA 0.852 5.192 4.340 -0.000 0.000 0.268 996 R C 0.101 176.328 176.300 -0.121 0.000 1.014 996 R CA -0.417 55.582 56.100 -0.169 0.000 0.946 996 R CB 0.855 31.171 30.300 0.026 0.000 1.208 996 R HN 0.682 nan 8.270 nan 0.000 0.477 997 L N -0.006 121.156 121.223 -0.100 0.000 0.649 997 L HA -0.398 3.942 4.340 -0.000 0.000 0.356 997 L C 0.591 177.435 176.870 -0.045 0.000 1.024 997 L CA 1.624 56.462 54.840 -0.003 0.000 1.223 997 L CB -0.805 41.291 42.059 0.062 0.000 0.103 997 L HN 1.304 nan 8.230 nan 0.000 0.101 998 S N -0.846 114.902 115.700 0.080 0.000 3.583 998 S HA -0.235 4.235 4.470 -0.000 0.000 0.629 998 S C 0.527 174.999 174.600 -0.212 0.000 2.549 998 S CA 1.221 59.387 58.200 -0.056 0.000 3.665 998 S CB -0.841 62.286 63.200 -0.122 0.000 0.265 998 S HN 0.890 nan 8.310 nan 0.000 1.206 999 D N 0.338 120.575 120.400 -0.273 0.000 2.840 999 D HA 0.135 4.775 4.640 -0.000 0.000 0.277 999 D C 1.506 177.723 176.300 -0.137 0.000 1.066 999 D CA 0.273 54.142 54.000 -0.219 0.000 0.979 999 D CB -0.717 39.901 40.800 -0.304 0.000 1.157 999 D HN 0.635 nan 8.370 nan 0.000 0.466 1000 E N 1.236 121.319 120.200 -0.195 0.000 2.483 1000 E HA -0.116 4.234 4.350 -0.000 0.000 0.205 1000 E C 1.840 178.419 176.600 -0.036 0.000 1.075 1000 E CA 0.266 56.610 56.400 -0.094 0.000 0.889 1000 E CB -0.371 29.199 29.700 -0.216 0.000 0.816 1000 E HN 0.288 nan 8.360 nan 0.000 0.567 1001 G N 2.151 110.831 108.800 -0.200 0.000 2.550 1001 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.222 1001 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.222 1001 G C 1.371 176.102 174.900 -0.281 0.000 1.113 1001 G CA 1.353 46.209 45.100 -0.407 0.000 0.748 1001 G HN 0.536 nan 8.290 nan 0.000 0.585 1002 E N -1.132 119.072 120.200 0.007 0.000 2.046 1002 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 1002 E C 2.238 178.989 176.600 0.251 0.000 0.982 1002 E CA 0.558 57.167 56.400 0.349 0.000 0.800 1002 E CB -0.859 29.228 29.700 0.644 0.000 0.756 1002 E HN 0.597 nan 8.360 nan 0.000 0.449 1003 W N 1.243 122.544 121.300 0.002 0.000 2.305 1003 W HA -0.235 4.425 4.660 -0.000 0.000 0.308 1003 W C 1.792 178.319 176.519 0.014 0.000 1.226 1003 W CA 0.844 58.173 57.345 -0.028 0.000 1.253 1003 W CB -0.032 29.367 29.460 -0.102 0.000 1.146 1003 W HN 0.168 nan 8.180 nan 0.000 0.507 1004 L N 0.330 121.646 121.223 0.154 0.000 2.129 1004 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 1004 L C 2.569 179.631 176.870 0.319 0.000 1.087 1004 L CA 2.006 56.980 54.840 0.223 0.000 0.757 1004 L CB -1.847 40.130 42.059 -0.137 0.000 0.896 1004 L HN 0.009 nan 8.230 nan 0.000 0.434 1005 V N -3.552 116.477 119.914 0.192 0.000 2.407 1005 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 1005 V C 2.724 178.786 176.094 -0.054 0.000 1.041 1005 V CA 0.887 63.243 62.300 0.093 0.000 1.040 1005 V CB -0.664 31.206 31.823 0.078 0.000 0.671 1005 V HN 0.186 nan 8.190 nan 0.000 0.455 1006 R N 1.285 121.695 120.500 -0.150 0.000 2.097 1006 R HA -0.196 4.144 4.340 -0.000 0.000 0.236 1006 R C 2.456 178.611 176.300 -0.242 0.000 1.135 1006 R CA 2.387 58.315 56.100 -0.286 0.000 0.934 1006 R CB -1.153 28.778 30.300 -0.615 0.000 0.846 1006 R HN 0.811 nan 8.270 nan 0.000 0.431 1007 E N 0.034 120.074 120.200 -0.266 0.000 2.171 1007 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 1007 E C 1.534 178.087 176.600 -0.079 0.000 0.997 1007 E CA 1.572 57.878 56.400 -0.156 0.000 0.810 1007 E CB -0.117 29.545 29.700 -0.064 0.000 0.738 1007 E HN 0.400 nan 8.360 nan 0.000 0.467 1008 L N -0.740 120.450 121.223 -0.055 0.000 2.463 1008 L HA 0.169 4.509 4.340 -0.000 0.000 0.219 1008 L C 0.955 177.783 176.870 -0.070 0.000 1.088 1008 L CA 0.969 55.766 54.840 -0.071 0.000 0.849 1008 L CB -0.650 41.339 42.059 -0.117 0.000 1.012 1008 L HN -0.029 nan 8.230 nan 0.000 0.468 1009 N N 0.949 119.603 118.700 -0.077 0.000 2.494 1009 N HA 0.039 4.779 4.740 -0.000 0.000 0.182 1009 N C 1.644 177.118 175.510 -0.060 0.000 1.076 1009 N CA 1.077 54.084 53.050 -0.073 0.000 0.908 1009 N CB 0.077 38.506 38.487 -0.097 0.000 0.967 1009 N HN 0.438 nan 8.380 nan 0.000 0.449 1010 L N -0.194 120.990 121.223 -0.066 0.000 2.672 1010 L HA 0.214 4.554 4.340 -0.000 0.000 0.236 1010 L C -1.163 175.690 176.870 -0.028 0.000 1.092 1010 L CA 0.006 54.819 54.840 -0.044 0.000 0.887 1010 L CB -0.216 41.812 42.059 -0.052 0.000 1.168 1010 L HN -0.041 nan 8.230 nan 0.000 0.502 1011 P HA -0.013 nan 4.420 nan 0.000 0.242 1011 P C -0.001 177.286 177.300 -0.023 0.000 1.197 1011 P CA 1.042 64.128 63.100 -0.024 0.000 0.765 1011 P CB 0.215 31.890 31.700 -0.042 0.000 0.936 1012 V N -3.860 116.038 119.914 -0.026 0.000 2.638 1012 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 1012 V C -0.274 175.811 176.094 -0.015 0.000 1.052 1012 V CA -1.002 61.286 62.300 -0.020 0.000 0.885 1012 V CB 1.181 32.989 31.823 -0.024 0.000 0.999 1012 V HN -0.077 nan 8.190 nan 0.000 0.424 1013 D N 2.571 122.965 120.400 -0.009 0.000 2.689 1013 D HA -0.220 4.420 4.640 -0.000 0.000 0.237 1013 D C 0.725 177.023 176.300 -0.003 0.000 1.148 1013 D CA 1.192 55.189 54.000 -0.005 0.000 0.656 1013 D CB -0.340 40.459 40.800 -0.002 0.000 1.050 1013 D HN 1.115 nan 8.370 nan 0.000 0.426 1014 R N -0.019 120.478 120.500 -0.005 0.000 3.059 1014 R HA -0.270 4.070 4.340 -0.000 0.000 0.251 1014 R C 0.532 176.836 176.300 0.006 0.000 0.886 1014 R CA 2.131 58.230 56.100 -0.002 0.000 0.634 1014 R CB -2.580 27.717 30.300 -0.006 0.000 1.282 1014 R HN 1.232 nan 8.270 nan 0.000 0.487 1015 T N -2.653 111.904 114.554 0.006 0.000 0.541 1015 T HA -0.348 4.002 4.350 -0.000 0.000 0.774 1015 T C 0.912 175.623 174.700 0.019 0.000 0.992 1015 T CA 2.022 64.129 62.100 0.012 0.000 4.077 1015 T CB -0.587 68.295 68.868 0.023 0.000 2.303 1015 T HN 0.770 nan 8.240 nan 0.000 0.398 1016 E N -0.754 119.465 120.200 0.032 0.000 4.795 1016 E HA -0.316 4.034 4.350 -0.000 0.000 0.162 1016 E C 1.330 177.967 176.600 0.062 0.000 1.142 1016 E CA 2.276 58.711 56.400 0.058 0.000 2.419 1016 E CB -1.966 27.773 29.700 0.064 0.000 1.740 1016 E HN 2.447 nan 8.360 nan 0.000 0.493 1017 G N -0.114 108.703 108.800 0.028 0.000 2.187 1017 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.261 1017 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.261 1017 G C 0.970 175.886 174.900 0.027 0.000 1.000 1017 G CA 1.626 46.728 45.100 0.003 0.000 0.718 1017 G HN 1.496 nan 8.290 nan 0.000 0.519 1018 G N -2.032 106.802 108.800 0.058 0.000 2.399 1018 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 1018 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 1018 G C 0.413 175.403 174.900 0.151 0.000 1.096 1018 G CA 0.651 45.788 45.100 0.061 0.000 0.650 1018 G HN 1.381 nan 8.290 nan 0.000 0.512 1019 W N 4.294 125.569 121.300 -0.041 0.000 2.357 1019 W HA 0.708 5.368 4.660 -0.000 0.000 0.317 1019 W C 0.579 177.094 176.519 -0.007 0.000 1.101 1019 W CA -2.330 54.989 57.345 -0.043 0.000 1.380 1019 W CB -0.182 29.215 29.460 -0.105 0.000 1.266 1019 W HN 0.280 nan 8.180 nan 0.000 0.419 1020 I N 5.195 126.125 120.570 0.600 0.000 3.115 1020 I HA -0.194 3.976 4.170 -0.000 0.000 0.315 1020 I C 0.416 176.633 176.117 0.167 0.000 1.211 1020 I CA 1.735 63.240 61.300 0.341 0.000 1.453 1020 I CB 0.014 38.293 38.000 0.466 0.000 1.307 1020 I HN 0.573 nan 8.210 nan 0.000 0.568 1021 S N 4.020 119.817 115.700 0.162 0.000 2.776 1021 S HA -0.024 4.446 4.470 -0.000 0.000 0.855 1021 S C -0.798 173.836 174.600 0.058 0.000 0.845 1021 S CA -0.734 57.530 58.200 0.107 0.000 1.517 1021 S CB -0.433 62.799 63.200 0.054 0.000 1.091 1021 S HN 0.588 nan 8.310 nan 0.000 0.218 1022 L N 3.761 125.013 121.223 0.048 0.000 2.287 1022 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 1022 L C 0.678 177.558 176.870 0.017 0.000 1.022 1022 L CA -0.378 54.481 54.840 0.033 0.000 0.814 1022 L CB 1.390 43.470 42.059 0.034 0.000 1.217 1022 L HN 0.598 nan 8.230 nan 0.000 0.420 1023 Q N 1.883 121.692 119.800 0.015 0.000 2.247 1023 Q HA -0.006 4.334 4.340 -0.000 0.000 0.288 1023 Q C -0.441 175.552 176.000 -0.011 0.000 1.079 1023 Q CA -0.063 55.740 55.803 0.001 0.000 0.932 1023 Q CB 0.582 29.343 28.738 0.039 0.000 1.133 1023 Q HN 0.500 nan 8.270 nan 0.000 0.377 1024 D N 2.138 122.514 120.400 -0.039 0.000 2.419 1024 D HA -0.102 4.538 4.640 -0.000 0.000 0.236 1024 D C 0.944 177.214 176.300 -0.050 0.000 1.165 1024 D CA 0.077 54.050 54.000 -0.046 0.000 0.882 1024 D CB 0.474 41.233 40.800 -0.067 0.000 1.201 1024 D HN 0.671 nan 8.370 nan 0.000 0.443 1025 L N 0.765 121.950 121.223 -0.062 0.000 4.605 1025 L HA -0.357 3.983 4.340 -0.000 0.000 0.441 1025 L C 0.037 176.878 176.870 -0.048 0.000 1.115 1025 L CA 0.773 55.559 54.840 -0.089 0.000 0.959 1025 L CB -0.766 41.224 42.059 -0.115 0.000 1.867 1025 L HN 0.745 nan 8.230 nan 0.000 0.980 1026 R N 0.934 121.429 120.500 -0.008 0.000 3.752 1026 R HA -0.190 4.150 4.340 -0.000 0.000 0.227 1026 R C 0.750 177.056 176.300 0.009 0.000 0.592 1026 R CA 0.599 56.718 56.100 0.033 0.000 0.981 1026 R CB -0.469 29.846 30.300 0.025 0.000 0.973 1026 R HN 0.226 nan 8.270 nan 0.000 0.330 1027 K N 2.514 122.937 120.400 0.038 0.000 2.678 1027 K HA -0.037 4.283 4.320 -0.000 0.000 0.194 1027 K C 1.010 177.628 176.600 0.030 0.000 1.031 1027 K CA 0.604 56.901 56.287 0.016 0.000 0.961 1027 K CB -0.275 32.242 32.500 0.027 0.000 0.793 1027 K HN 0.501 nan 8.250 nan 0.000 0.492 1028 V N -0.299 119.625 119.914 0.018 0.000 3.578 1028 V HA -0.003 4.117 4.120 -0.000 0.000 0.290 1028 V C 2.147 178.232 176.094 -0.015 0.000 1.376 1028 V CA 0.083 62.398 62.300 0.024 0.000 1.083 1028 V CB 0.091 31.924 31.823 0.016 0.000 0.911 1028 V HN 0.253 nan 8.190 nan 0.000 0.433 1029 Q N 1.160 120.931 119.800 -0.047 0.000 1.941 1029 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 1029 Q C 2.245 178.154 176.000 -0.152 0.000 0.982 1029 Q CA 1.869 57.613 55.803 -0.099 0.000 0.839 1029 Q CB 0.073 28.731 28.738 -0.132 0.000 0.904 1029 Q HN 0.310 nan 8.270 nan 0.000 0.427 1030 R N 0.690 121.062 120.500 -0.213 0.000 2.246 1030 R HA 0.030 4.370 4.340 -0.000 0.000 0.199 1030 R C 0.557 176.798 176.300 -0.100 0.000 0.984 1030 R CA 0.930 56.867 56.100 -0.272 0.000 1.015 1030 R CB -0.211 29.804 30.300 -0.474 0.000 0.930 1030 R HN 0.637 nan 8.270 nan 0.000 0.475 1031 E N 0.513 120.706 120.200 -0.012 0.000 2.320 1031 E HA 0.025 4.375 4.350 -0.000 0.000 0.234 1031 E C -0.531 176.078 176.600 0.014 0.000 1.290 1031 E CA -0.111 56.328 56.400 0.064 0.000 1.545 1031 E CB -0.054 29.777 29.700 0.219 0.000 1.379 1031 E HN -0.221 nan 8.360 nan 0.000 0.437 1032 T N 1.169 115.709 114.554 -0.023 0.000 2.759 1032 T HA 0.220 4.570 4.350 -0.000 0.000 0.273 1032 T C 0.346 175.040 174.700 -0.010 0.000 0.938 1032 T CA -0.017 62.070 62.100 -0.021 0.000 1.197 1032 T CB -0.349 68.500 68.868 -0.030 0.000 0.887 1032 T HN 0.442 nan 8.240 nan 0.000 0.540 1033 A N 4.747 127.561 122.820 -0.009 0.000 2.511 1033 A HA 0.534 4.854 4.320 -0.000 0.000 0.242 1033 A C 1.171 178.755 177.584 0.001 0.000 1.069 1033 A CA -0.238 51.795 52.037 -0.008 0.000 0.763 1033 A CB 0.130 19.122 19.000 -0.014 0.000 1.001 1033 A HN 1.001 nan 8.150 nan 0.000 0.498 1034 R N 0.072 120.574 120.500 0.005 0.000 2.110 1034 R HA 0.051 4.391 4.340 -0.000 0.000 0.136 1034 R C -0.288 176.021 176.300 0.015 0.000 0.787 1034 R CA 0.469 56.577 56.100 0.012 0.000 1.827 1034 R CB 0.002 30.312 30.300 0.017 0.000 1.418 1034 R HN 0.596 nan 8.270 nan 0.000 0.467 1035 K N 0.243 120.651 120.400 0.013 0.000 3.261 1035 K HA -0.089 4.231 4.320 -0.000 0.000 0.272 1035 K C -1.017 175.601 176.600 0.030 0.000 1.212 1035 K CA 0.935 57.233 56.287 0.018 0.000 0.808 1035 K CB -2.581 29.929 32.500 0.017 0.000 1.344 1035 K HN 0.229 nan 8.250 nan 0.000 0.517 1036 S N 1.132 116.852 115.700 0.032 0.000 2.525 1036 S HA 0.187 4.657 4.470 -0.000 0.000 0.278 1036 S C 1.371 176.011 174.600 0.066 0.000 1.234 1036 S CA -0.583 57.645 58.200 0.047 0.000 1.058 1036 S CB 0.830 64.055 63.200 0.041 0.000 0.983 1036 S HN 0.190 nan 8.310 nan 0.000 0.495 1037 Q N 2.407 122.266 119.800 0.099 0.000 2.615 1037 Q HA -0.126 4.214 4.340 -0.000 0.000 0.220 1037 Q C 0.267 176.458 176.000 0.319 0.000 0.981 1037 Q CA 0.828 56.729 55.803 0.164 0.000 0.939 1037 Q CB -0.030 28.802 28.738 0.156 0.000 0.982 1037 Q HN 0.859 nan 8.270 nan 0.000 0.550 1038 W N 0.740 122.044 121.300 0.007 0.000 2.977 1038 W HA 0.227 4.887 4.660 -0.000 0.000 0.236 1038 W C -0.342 176.198 176.519 0.035 0.000 1.053 1038 W CA 0.041 57.404 57.345 0.030 0.000 1.375 1038 W CB 1.013 30.513 29.460 0.068 0.000 0.814 1038 W HN -0.133 nan 8.180 nan 0.000 0.713 1039 K N 0.828 121.210 120.400 -0.031 0.000 2.672 1039 K HA -0.178 4.142 4.320 -0.000 0.000 0.595 1039 K C -0.400 176.097 176.600 -0.171 0.000 2.575 1039 K CA 0.602 56.812 56.287 -0.129 0.000 1.990 1039 K CB -0.494 31.880 32.500 -0.211 0.000 2.751 1039 K HN -0.297 nan 8.250 nan 0.000 0.150 1040 K N 1.949 122.311 120.400 -0.064 0.000 2.062 1040 K HA -0.119 4.201 4.320 -0.000 0.000 0.251 1040 K C 0.670 177.267 176.600 -0.005 0.000 1.113 1040 K CA 0.970 57.242 56.287 -0.025 0.000 1.096 1040 K CB -1.016 31.461 32.500 -0.039 0.000 1.099 1040 K HN 0.784 nan 8.250 nan 0.000 0.350 1041 W N 1.096 122.175 121.300 -0.369 0.000 2.339 1041 W HA -0.454 4.206 4.660 -0.000 0.000 0.256 1041 W C 0.170 176.380 176.519 -0.514 0.000 1.007 1041 W CA 1.353 58.469 57.345 -0.382 0.000 0.496 1041 W CB -0.448 28.909 29.460 -0.171 0.000 2.019 1041 W HN 0.834 nan 8.180 nan 0.000 1.430 1042 E N -3.036 116.934 120.200 -0.383 0.000 2.759 1042 E HA -0.373 3.977 4.350 -0.000 0.000 0.326 1042 E C 0.645 177.053 176.600 -0.320 0.000 1.368 1042 E CA 1.728 57.871 56.400 -0.429 0.000 1.249 1042 E CB -1.871 27.518 29.700 -0.518 0.000 1.809 1042 E HN 0.534 nan 8.360 nan 0.000 0.564 1043 V N 0.797 120.515 119.914 -0.327 0.000 3.140 1043 V HA -0.136 3.984 4.120 -0.000 0.000 0.269 1043 V C 1.797 177.690 176.094 -0.335 0.000 1.149 1043 V CA 2.111 64.239 62.300 -0.287 0.000 1.162 1043 V CB -0.166 31.502 31.823 -0.258 0.000 0.756 1043 V HN 0.411 nan 8.190 nan 0.000 0.523 1044 V N 0.889 120.564 119.914 -0.399 0.000 2.358 1044 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 1044 V C 3.069 179.019 176.094 -0.240 0.000 1.047 1044 V CA 2.074 64.133 62.300 -0.401 0.000 1.035 1044 V CB -1.070 30.402 31.823 -0.584 0.000 0.658 1044 V HN 0.708 nan 8.190 nan 0.000 0.452 1045 A N -0.619 122.124 122.820 -0.129 0.000 1.902 1045 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 1045 A C 2.238 179.870 177.584 0.080 0.000 1.181 1045 A CA 1.983 54.049 52.037 0.049 0.000 0.623 1045 A CB -0.582 18.589 19.000 0.285 0.000 0.818 1045 A HN 0.592 nan 8.150 nan 0.000 0.443 1046 E N -0.258 119.905 120.200 -0.061 0.000 2.219 1046 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 1046 E C 2.122 178.130 176.600 -0.986 0.000 0.998 1046 E CA 1.470 57.736 56.400 -0.223 0.000 0.818 1046 E CB -0.035 29.569 29.700 -0.162 0.000 0.741 1046 E HN 0.701 nan 8.360 nan 0.000 0.477 1047 R N 0.595 120.727 120.500 -0.613 0.000 2.062 1047 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 1047 R C 2.175 178.254 176.300 -0.367 0.000 1.136 1047 R CA 1.714 57.455 56.100 -0.599 0.000 0.948 1047 R CB -1.073 29.003 30.300 -0.373 0.000 0.845 1047 R HN 0.050 nan 8.270 nan 0.000 0.430 1048 A N 1.770 124.505 122.820 -0.142 0.000 2.009 1048 A HA -0.197 4.123 4.320 -0.000 0.000 0.222 1048 A C 2.185 180.109 177.584 0.567 0.000 1.175 1048 A CA 1.792 53.925 52.037 0.160 0.000 0.651 1048 A CB -1.405 17.534 19.000 -0.102 0.000 0.815 1048 A HN 0.823 nan 8.150 nan 0.000 0.459 1049 W N -1.038 120.501 121.300 0.400 0.000 2.658 1049 W HA 0.116 4.776 4.660 -0.000 0.000 0.263 1049 W C 1.540 178.127 176.519 0.114 0.000 1.274 1049 W CA 0.774 58.410 57.345 0.484 0.000 1.343 1049 W CB -0.390 29.376 29.460 0.509 0.000 1.106 1049 W HN 0.300 nan 8.180 nan 0.000 0.615 1050 K N 1.246 121.573 120.400 -0.122 0.000 2.228 1050 K HA 0.023 4.343 4.320 -0.000 0.000 0.202 1050 K C 2.219 178.773 176.600 -0.077 0.000 1.051 1050 K CA 1.284 57.407 56.287 -0.274 0.000 0.960 1050 K CB -0.371 31.756 32.500 -0.621 0.000 0.743 1050 K HN 0.181 nan 8.250 nan 0.000 0.458 1051 G N -0.643 108.163 108.800 0.011 0.000 3.042 1051 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.212 1051 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.212 1051 G C 1.174 176.135 174.900 0.102 0.000 1.166 1051 G CA 0.293 45.438 45.100 0.074 0.000 0.767 1051 G HN 0.379 nan 8.290 nan 0.000 0.546 1052 G N 0.336 109.248 108.800 0.187 0.000 2.430 1052 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 1052 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 1052 G C 1.670 176.632 174.900 0.102 0.000 1.146 1052 G CA 1.470 46.582 45.100 0.021 0.000 0.793 1052 G HN 0.304 nan 8.290 nan 0.000 0.537 1053 T N 1.287 115.929 114.554 0.147 0.000 2.622 1053 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 1053 T C 2.232 176.983 174.700 0.085 0.000 1.047 1053 T CA 1.647 63.825 62.100 0.129 0.000 1.159 1053 T CB -0.225 68.657 68.868 0.022 0.000 0.863 1053 T HN 0.500 nan 8.240 nan 0.000 0.422 1054 E N 1.169 121.399 120.200 0.051 0.000 2.118 1054 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 1054 E C 2.497 179.156 176.600 0.097 0.000 0.992 1054 E CA 1.463 57.893 56.400 0.051 0.000 0.804 1054 E CB -0.253 29.478 29.700 0.052 0.000 0.741 1054 E HN 0.543 nan 8.360 nan 0.000 0.458 1055 S N 1.129 116.870 115.700 0.067 0.000 2.387 1055 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 1055 S C 1.919 176.665 174.600 0.244 0.000 1.026 1055 S CA 0.958 59.250 58.200 0.153 0.000 0.972 1055 S CB -0.013 62.916 63.200 -0.452 0.000 0.814 1055 S HN 0.018 nan 8.310 nan 0.000 0.477 1056 E N 0.558 120.823 120.200 0.107 0.000 2.267 1056 E HA 0.008 4.358 4.350 -0.000 0.000 0.197 1056 E C 1.714 178.336 176.600 0.036 0.000 0.998 1056 E CA 1.257 57.712 56.400 0.091 0.000 0.830 1056 E CB -0.271 29.503 29.700 0.122 0.000 0.751 1056 E HN 0.609 nan 8.360 nan 0.000 0.491 1057 M N -1.693 117.930 119.600 0.039 0.000 2.545 1057 M HA 0.119 4.599 4.480 -0.000 0.000 0.264 1057 M C 1.530 177.775 176.300 -0.091 0.000 1.155 1057 M CA 0.167 55.464 55.300 -0.006 0.000 1.162 1057 M CB -0.129 32.489 32.600 0.028 0.000 1.330 1057 M HN 0.207 nan 8.290 nan 0.000 0.479 1058 F N 2.264 122.208 119.950 -0.010 0.000 2.115 1058 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 1058 F C 0.629 176.439 175.800 0.015 0.000 1.092 1058 F CA 0.973 58.970 58.000 -0.005 0.000 1.245 1058 F CB -1.576 37.408 39.000 -0.027 0.000 0.995 1058 F HN 0.289 nan 8.300 nan 0.000 0.481 1059 N N 1.658 119.468 118.700 -1.484 0.000 2.427 1059 N HA 0.181 4.921 4.740 -0.000 0.000 0.269 1059 N C -1.062 174.070 175.510 -0.631 0.000 1.235 1059 N CA -0.197 51.959 53.050 -1.490 0.000 0.934 1059 N CB 0.299 38.382 38.487 -0.674 0.000 1.121 1059 N HN 0.191 nan 8.380 nan 0.000 0.480 1060 K N 1.133 121.185 120.400 -0.580 0.000 6.490 1060 K HA -0.131 4.189 4.320 -0.000 0.000 0.811 1060 K C 0.543 177.054 176.600 -0.148 0.000 2.112 1060 K CA 0.056 56.193 56.287 -0.250 0.000 1.664 1060 K CB -0.968 31.446 32.500 -0.144 0.000 2.161 1060 K HN 0.681 nan 8.250 nan 0.000 0.289 1061 L N 3.541 124.706 121.223 -0.096 0.000 2.010 1061 L HA -0.301 4.039 4.340 -0.000 0.000 0.219 1061 L C 1.659 178.507 176.870 -0.036 0.000 1.077 1061 L CA 2.504 57.317 54.840 -0.044 0.000 0.773 1061 L CB -0.285 41.767 42.059 -0.012 0.000 0.892 1061 L HN 0.793 nan 8.230 nan 0.000 0.436 1062 E N 0.380 120.561 120.200 -0.031 0.000 2.017 1062 E HA -0.217 4.133 4.350 -0.000 0.000 0.220 1062 E C 1.121 177.713 176.600 -0.012 0.000 1.032 1062 E CA 1.627 58.015 56.400 -0.020 0.000 0.888 1062 E CB -0.383 29.307 29.700 -0.017 0.000 0.801 1062 E HN 0.518 nan 8.360 nan 0.000 0.503 1063 S N -0.605 115.090 115.700 -0.008 0.000 2.607 1063 S HA 0.520 4.990 4.470 -0.000 0.000 0.303 1063 S C -0.915 173.681 174.600 -0.005 0.000 1.086 1063 S CA -0.846 57.364 58.200 0.015 0.000 0.995 1063 S CB 1.322 64.553 63.200 0.052 0.000 1.084 1063 S HN 0.277 nan 8.310 nan 0.000 0.507 1064 I N 3.263 123.844 120.570 0.017 0.000 2.448 1064 I HA 0.550 4.720 4.170 -0.000 0.000 0.281 1064 I C 0.618 176.768 176.117 0.054 0.000 1.027 1064 I CA 0.183 61.489 61.300 0.009 0.000 1.111 1064 I CB 1.042 39.045 38.000 0.005 0.000 1.236 1064 I HN 1.113 nan 8.210 nan 0.000 0.452 1065 A N 3.727 126.569 122.820 0.038 0.000 2.910 1065 A HA -0.237 4.083 4.320 -0.000 0.000 0.267 1065 A C 0.961 178.587 177.584 0.070 0.000 1.310 1065 A CA 1.376 53.449 52.037 0.061 0.000 0.934 1065 A CB -2.661 16.409 19.000 0.117 0.000 1.057 1065 A HN 0.698 nan 8.150 nan 0.000 0.742 1066 T N 2.117 116.717 114.554 0.077 0.000 2.708 1066 T HA 0.303 4.653 4.350 -0.000 0.000 0.257 1066 T C 0.705 175.421 174.700 0.026 0.000 1.002 1066 T CA 1.070 63.226 62.100 0.094 0.000 1.269 1066 T CB -0.749 68.200 68.868 0.136 0.000 0.966 1066 T HN 1.204 nan 8.240 nan 0.000 0.534 1067 S N 3.544 119.248 115.700 0.007 0.000 2.060 1067 S HA 0.345 4.815 4.470 -0.000 0.000 0.156 1067 S C -0.174 174.398 174.600 -0.047 0.000 1.690 1067 S CA -1.111 57.045 58.200 -0.073 0.000 1.238 1067 S CB 0.688 63.814 63.200 -0.122 0.000 1.150 1067 S HN 0.560 nan 8.310 nan 0.000 0.437 1068 D N 2.181 122.567 120.400 -0.024 0.000 2.018 1068 D HA 0.201 4.841 4.640 -0.000 0.000 0.296 1068 D C 1.764 178.035 176.300 -0.048 0.000 1.100 1068 D CA -0.581 53.416 54.000 -0.005 0.000 0.986 1068 D CB -0.140 40.651 40.800 -0.016 0.000 1.127 1068 D HN 0.371 nan 8.370 nan 0.000 0.421 1069 I N 0.408 120.942 120.570 -0.061 0.000 2.040 1069 I HA -0.100 4.070 4.170 -0.000 0.000 0.224 1069 I C -1.389 174.670 176.117 -0.096 0.000 1.038 1069 I CA 0.528 61.786 61.300 -0.070 0.000 1.330 1069 I CB -0.522 37.432 38.000 -0.076 0.000 1.076 1069 I HN -0.047 nan 8.210 nan 0.000 0.388 1070 P HA 0.050 nan 4.420 nan 0.000 0.266 1070 P C -1.243 175.970 177.300 -0.146 0.000 1.419 1070 P CA 0.420 63.440 63.100 -0.133 0.000 1.112 1070 P CB -0.193 31.439 31.700 -0.113 0.000 1.438 1071 R N 1.513 121.898 120.500 -0.192 0.000 2.878 1071 R HA 0.149 4.489 4.340 -0.000 0.000 0.239 1071 R C 0.977 177.103 176.300 -0.290 0.000 1.515 1071 R CA 0.101 56.068 56.100 -0.222 0.000 1.210 1071 R CB -0.747 29.392 30.300 -0.267 0.000 1.209 1071 R HN 0.294 nan 8.270 nan 0.000 0.610 1072 T N 0.331 114.755 114.554 -0.216 0.000 3.010 1072 T HA 0.055 4.405 4.350 -0.000 0.000 0.252 1072 T C -0.885 173.724 174.700 -0.151 0.000 1.047 1072 T CA -0.034 61.915 62.100 -0.252 0.000 1.140 1072 T CB -0.438 68.237 68.868 -0.322 0.000 0.885 1072 T HN 0.297 nan 8.240 nan 0.000 0.464 1073 P HA -0.302 nan 4.420 nan 0.000 0.255 1073 P C 0.846 178.141 177.300 -0.009 0.000 0.760 1073 P CA 2.402 65.487 63.100 -0.024 0.000 1.040 1073 P CB -1.246 30.441 31.700 -0.022 0.000 0.801 1091 E N 0.042 119.810 120.200 -0.721 0.000 2.416 1091 E HA -0.254 4.096 4.350 -0.000 0.000 0.249 1091 E C -0.270 176.147 176.600 -0.305 0.000 1.124 1091 E CA 1.165 57.310 56.400 -0.424 0.000 0.732 1091 E CB -1.666 27.854 29.700 -0.300 0.000 1.286 1091 E HN 0.542 nan 8.360 nan 0.000 0.394 1092 F N -1.426 118.540 119.950 0.025 0.000 2.060 1092 F HA 0.340 4.867 4.527 -0.000 0.000 0.218 1092 F C 2.065 177.858 175.800 -0.011 0.000 1.186 1092 F CA -0.656 57.357 58.000 0.022 0.000 1.281 1092 F CB 0.015 39.061 39.000 0.077 0.000 1.741 1092 F HN -0.089 nan 8.300 nan 0.000 0.359 1093 M N -0.391 119.328 119.600 0.198 0.000 3.119 1093 M HA 0.119 4.599 4.480 -0.000 0.000 0.160 1093 M C 1.808 178.091 176.300 -0.028 0.000 1.675 1093 M CA 0.524 55.848 55.300 0.041 0.000 1.577 1093 M CB -0.298 32.300 32.600 -0.003 0.000 0.826 1093 M HN 0.019 nan 8.290 nan 0.000 0.549 1094 T N 0.914 115.423 114.554 -0.076 0.000 2.693 1094 T HA -0.267 4.083 4.350 -0.000 0.000 0.263 1094 T C 1.833 176.441 174.700 -0.153 0.000 1.046 1094 T CA 2.434 64.460 62.100 -0.123 0.000 1.160 1094 T CB -0.562 68.147 68.868 -0.264 0.000 0.853 1094 T HN 0.454 nan 8.240 nan 0.000 0.462 1095 S N 0.072 115.679 115.700 -0.154 0.000 2.336 1095 S HA -0.077 4.393 4.470 -0.000 0.000 0.214 1095 S C 2.142 176.348 174.600 -0.658 0.000 1.032 1095 S CA 1.269 59.199 58.200 -0.450 0.000 1.001 1095 S CB -0.258 62.841 63.200 -0.168 0.000 0.953 1095 S HN 0.445 nan 8.310 nan 0.000 0.430 1096 R N 0.067 120.421 120.500 -0.244 0.000 2.136 1096 R HA -0.137 4.202 4.340 -0.000 0.000 0.242 1096 R C 2.262 178.539 176.300 -0.038 0.000 1.131 1096 R CA 2.056 58.133 56.100 -0.038 0.000 0.937 1096 R CB -1.057 29.258 30.300 0.026 0.000 0.863 1096 R HN 0.378 nan 8.270 nan 0.000 0.435 1097 V N 1.688 121.548 119.914 -0.089 0.000 2.231 1097 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 1097 V C 2.190 178.297 176.094 0.021 0.000 1.058 1097 V CA 2.155 64.394 62.300 -0.102 0.000 1.022 1097 V CB -0.776 30.987 31.823 -0.099 0.000 0.640 1097 V HN 0.451 nan 8.190 nan 0.000 0.445 1098 N N -0.763 117.935 118.700 -0.003 0.000 2.037 1098 N HA -0.240 4.500 4.740 -0.000 0.000 0.196 1098 N C 1.780 177.454 175.510 0.273 0.000 1.034 1098 N CA 2.402 55.505 53.050 0.087 0.000 0.861 1098 N CB -0.394 37.912 38.487 -0.302 0.000 1.039 1098 N HN 0.705 nan 8.380 nan 0.000 0.427 1099 W N 0.659 122.027 121.300 0.113 0.000 2.321 1099 W HA -0.182 4.478 4.660 -0.000 0.000 0.306 1099 W C 2.341 178.890 176.519 0.051 0.000 1.217 1099 W CA 0.085 57.475 57.345 0.074 0.000 1.257 1099 W CB -0.502 28.994 29.460 0.059 0.000 1.145 1099 W HN -0.102 nan 8.180 nan 0.000 0.509 1100 V N 0.244 120.320 119.914 0.270 0.000 2.343 1100 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 1100 V C 1.985 178.151 176.094 0.119 0.000 1.051 1100 V CA 1.638 64.011 62.300 0.121 0.000 1.036 1100 V CB -1.022 30.800 31.823 -0.001 0.000 0.654 1100 V HN 0.070 nan 8.190 nan 0.000 0.451 1101 V N -0.703 119.323 119.914 0.187 0.000 2.287 1101 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 1101 V C 2.458 178.696 176.094 0.239 0.000 1.053 1101 V CA 2.229 64.692 62.300 0.271 0.000 1.027 1101 V CB -0.801 31.350 31.823 0.546 0.000 0.646 1101 V HN 0.491 nan 8.190 nan 0.000 0.447 1102 Q N 0.438 120.389 119.800 0.253 0.000 2.045 1102 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 1102 Q C 2.463 178.522 176.000 0.097 0.000 0.991 1102 Q CA 2.350 58.262 55.803 0.182 0.000 0.851 1102 Q CB -0.649 28.209 28.738 0.200 0.000 0.911 1102 Q HN 0.719 nan 8.270 nan 0.000 0.418 1103 S N 0.594 116.336 115.700 0.071 0.000 2.427 1103 S HA -0.312 4.158 4.470 -0.000 0.000 0.231 1103 S C 1.985 176.552 174.600 -0.055 0.000 1.045 1103 S CA 1.851 60.044 58.200 -0.013 0.000 1.154 1103 S CB -1.163 62.022 63.200 -0.026 0.000 1.093 1103 S HN 0.592 nan 8.310 nan 0.000 0.422 1104 S N 3.122 118.792 115.700 -0.049 0.000 2.408 1104 S HA -0.328 4.142 4.470 -0.000 0.000 0.241 1104 S C 2.070 176.743 174.600 0.121 0.000 1.080 1104 S CA 1.532 59.709 58.200 -0.037 0.000 1.109 1104 S CB -1.285 61.966 63.200 0.084 0.000 0.966 1104 S HN 0.726 nan 8.310 nan 0.000 0.449 1105 A N 1.953 124.848 122.820 0.125 0.000 1.858 1105 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 1105 A C 2.478 180.119 177.584 0.095 0.000 1.190 1105 A CA 1.882 54.008 52.037 0.148 0.000 0.617 1105 A CB -1.303 17.774 19.000 0.129 0.000 0.827 1105 A HN 0.450 nan 8.150 nan 0.000 0.443 1106 V N 1.017 120.923 119.914 -0.013 0.000 2.220 1106 V HA -0.373 3.747 4.120 -0.000 0.000 0.250 1106 V C 2.219 178.205 176.094 -0.180 0.000 1.056 1106 V CA 2.539 64.737 62.300 -0.170 0.000 1.016 1106 V CB -1.356 30.372 31.823 -0.158 0.000 0.639 1106 V HN 0.548 nan 8.190 nan 0.000 0.446 1107 D N -1.013 119.329 120.400 -0.096 0.000 2.177 1107 D HA -0.261 4.379 4.640 -0.000 0.000 0.189 1107 D C 1.849 178.256 176.300 0.177 0.000 1.002 1107 D CA 2.152 56.098 54.000 -0.090 0.000 0.845 1107 D CB -0.698 39.738 40.800 -0.607 0.000 0.960 1107 D HN 0.492 nan 8.370 nan 0.000 0.447 1108 Y N 1.373 121.825 120.300 0.253 0.000 1.911 1108 Y HA -0.306 4.244 4.550 -0.000 0.000 0.244 1108 Y C 2.423 178.308 175.900 -0.025 0.000 1.139 1108 Y CA 1.418 59.524 58.100 0.011 0.000 1.070 1108 Y CB -1.040 37.200 38.460 -0.367 0.000 0.919 1108 Y HN 0.016 nan 8.280 nan 0.000 0.497 1109 L N -0.575 120.528 121.223 -0.199 0.000 2.034 1109 L HA -0.381 3.959 4.340 -0.000 0.000 0.217 1109 L C 2.560 179.374 176.870 -0.094 0.000 1.077 1109 L CA 2.351 57.043 54.840 -0.247 0.000 0.769 1109 L CB -1.005 40.969 42.059 -0.142 0.000 0.890 1109 L HN 0.482 nan 8.230 nan 0.000 0.435 1110 H N -0.460 118.570 119.070 -0.067 0.000 2.265 1110 H HA -0.208 4.348 4.556 -0.000 0.000 0.295 1110 H C 2.144 177.439 175.328 -0.054 0.000 1.084 1110 H CA 1.785 57.800 56.048 -0.054 0.000 1.261 1110 H CB -0.582 29.124 29.762 -0.092 0.000 1.360 1110 H HN 0.161 nan 8.280 nan 0.000 0.487 1111 L N 0.254 121.501 121.223 0.041 0.000 1.971 1111 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 1111 L C 2.924 179.812 176.870 0.030 0.000 1.072 1111 L CA 1.672 56.426 54.840 -0.143 0.000 0.758 1111 L CB -1.119 40.779 42.059 -0.269 0.000 0.889 1111 L HN 0.276 nan 8.230 nan 0.000 0.433 1112 M N -0.928 118.630 119.600 -0.069 0.000 2.539 1112 M HA -0.322 4.158 4.480 -0.000 0.000 0.265 1112 M C 2.245 178.623 176.300 0.131 0.000 1.064 1112 M CA 2.115 57.380 55.300 -0.057 0.000 1.077 1112 M CB -0.382 32.042 32.600 -0.293 0.000 1.246 1112 M HN 0.216 nan 8.290 nan 0.000 0.470 1113 L N -0.548 120.779 121.223 0.172 0.000 2.034 1113 L HA -0.279 4.061 4.340 -0.000 0.000 0.217 1113 L C 2.422 179.493 176.870 0.335 0.000 1.077 1113 L CA 1.679 56.718 54.840 0.330 0.000 0.769 1113 L CB -1.555 40.707 42.059 0.338 0.000 0.890 1113 L HN 0.324 nan 8.230 nan 0.000 0.435 1114 V N 0.445 120.523 119.914 0.273 0.000 2.231 1114 V HA -0.358 3.762 4.120 -0.000 0.000 0.248 1114 V C 2.894 179.205 176.094 0.362 0.000 1.054 1114 V CA 2.140 64.610 62.300 0.284 0.000 1.015 1114 V CB -0.979 30.994 31.823 0.251 0.000 0.638 1114 V HN 0.535 nan 8.190 nan 0.000 0.444 1115 A N -0.662 122.398 122.820 0.400 0.000 1.865 1115 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 1115 A C 2.231 180.020 177.584 0.343 0.000 1.191 1115 A CA 2.393 54.624 52.037 0.323 0.000 0.623 1115 A CB -0.554 18.613 19.000 0.277 0.000 0.826 1115 A HN 0.431 nan 8.150 nan 0.000 0.444 1116 M N -0.348 119.441 119.600 0.315 0.000 2.352 1116 M HA -0.280 4.200 4.480 -0.000 0.000 0.260 1116 M C 2.059 178.715 176.300 0.594 0.000 1.068 1116 M CA 2.536 58.068 55.300 0.387 0.000 1.082 1116 M CB -1.358 31.437 32.600 0.325 0.000 1.262 1116 M HN 0.455 nan 8.290 nan 0.000 0.444 1117 K N -0.852 119.834 120.400 0.477 0.000 2.052 1117 K HA -0.249 4.071 4.320 -0.000 0.000 0.215 1117 K C 1.936 178.783 176.600 0.413 0.000 1.053 1117 K CA 2.090 58.614 56.287 0.396 0.000 0.934 1117 K CB -0.614 32.080 32.500 0.322 0.000 0.717 1117 K HN 0.461 nan 8.250 nan 0.000 0.450 1118 W N 1.812 123.222 121.300 0.183 0.000 2.274 1118 W HA -0.302 4.358 4.660 -0.000 0.000 0.333 1118 W C 1.846 178.431 176.519 0.111 0.000 1.290 1118 W CA 1.562 58.975 57.345 0.114 0.000 1.208 1118 W CB -0.557 28.949 29.460 0.077 0.000 1.155 1118 W HN 0.063 nan 8.180 nan 0.000 0.462 1119 L N -0.568 120.782 121.223 0.211 0.000 2.064 1119 L HA -0.313 4.027 4.340 -0.000 0.000 0.216 1119 L C 2.385 179.218 176.870 -0.062 0.000 1.077 1119 L CA 1.889 56.748 54.840 0.031 0.000 0.766 1119 L CB -1.441 40.622 42.059 0.006 0.000 0.890 1119 L HN 0.014 nan 8.230 nan 0.000 0.435 1120 F N 0.812 120.745 119.950 -0.029 0.000 2.095 1120 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 1120 F C 2.657 178.373 175.800 -0.140 0.000 1.104 1120 F CA 1.949 59.926 58.000 -0.039 0.000 1.232 1120 F CB -0.349 38.673 39.000 0.036 0.000 0.987 1120 F HN 0.231 nan 8.300 nan 0.000 0.475 1121 E N -0.423 119.746 120.200 -0.051 0.000 2.072 1121 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 1121 E C 0.602 176.908 176.600 -0.490 0.000 0.985 1121 E CA 0.954 57.189 56.400 -0.275 0.000 0.801 1121 E CB -0.594 28.850 29.700 -0.427 0.000 0.750 1121 E HN 0.282 nan 8.360 nan 0.000 0.452 1122 E N 1.369 121.257 120.200 -0.521 0.000 3.057 1122 E HA 0.074 4.423 4.350 -0.000 0.000 0.314 1122 E C -0.676 175.663 176.600 -0.435 0.000 1.433 1122 E CA 0.265 56.300 56.400 -0.609 0.000 1.546 1122 E CB -1.516 28.045 29.700 -0.231 0.000 1.224 1122 E HN 0.168 nan 8.360 nan 0.000 0.483 1123 F N -0.599 119.288 119.950 -0.105 0.000 2.183 1123 F HA -0.224 4.303 4.527 -0.000 0.000 0.318 1123 F C 1.156 176.907 175.800 -0.082 0.000 1.147 1123 F CA -0.068 57.885 58.000 -0.078 0.000 0.912 1123 F CB -1.266 37.694 39.000 -0.068 0.000 4.135 1123 F HN 0.208 nan 8.300 nan 0.000 0.137 1124 A N -0.065 122.835 122.820 0.134 0.000 2.790 1124 A HA -0.288 4.032 4.320 -0.000 0.000 0.277 1124 A C 0.326 177.916 177.584 0.010 0.000 1.435 1124 A CA 0.977 53.037 52.037 0.038 0.000 0.877 1124 A CB -2.045 16.952 19.000 -0.005 0.000 1.007 1124 A HN 1.416 nan 8.150 nan 0.000 0.613 1125 I N 0.172 120.756 120.570 0.024 0.000 2.821 1125 I HA 0.084 4.254 4.170 -0.000 0.000 0.294 1125 I C 0.785 176.965 176.117 0.106 0.000 1.210 1125 I CA 1.236 62.588 61.300 0.086 0.000 1.430 1125 I CB 0.413 38.437 38.000 0.039 0.000 1.356 1125 I HN 0.423 nan 8.210 nan 0.000 0.563 1126 D N 4.408 124.932 120.400 0.206 0.000 2.504 1126 D HA 0.287 4.927 4.640 -0.000 0.000 0.276 1126 D C 0.701 177.080 176.300 0.132 0.000 1.073 1126 D CA 0.516 54.605 54.000 0.148 0.000 0.905 1126 D CB 0.455 41.354 40.800 0.165 0.000 1.350 1126 D HN 0.625 nan 8.370 nan 0.000 0.496 1127 G N -0.954 107.946 108.800 0.167 0.000 3.454 1127 G HA2 0.528 4.488 3.960 -0.000 0.000 0.162 1127 G HA3 0.528 4.488 3.960 -0.000 0.000 0.162 1127 G C -0.868 174.021 174.900 -0.018 0.000 1.223 1127 G CA 0.084 45.232 45.100 0.080 0.000 1.394 1127 G HN 0.259 nan 8.290 nan 0.000 0.709 1128 R N -2.173 118.327 120.500 0.000 0.000 3.309 1128 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 1128 R C -1.931 174.466 176.300 0.162 0.000 0.901 1128 R CA -0.020 56.050 56.100 -0.050 0.000 0.793 1128 R CB -0.515 29.674 30.300 -0.185 0.000 1.578 1128 R HN 1.240 nan 8.270 nan 0.000 0.475 1129 F N -2.076 117.832 119.950 -0.070 0.000 3.052 1129 F HA 0.520 5.047 4.527 -0.000 0.000 0.323 1129 F C 0.131 175.934 175.800 0.005 0.000 1.178 1129 F CA -0.380 57.593 58.000 -0.044 0.000 0.892 1129 F CB 0.673 39.537 39.000 -0.228 0.000 1.416 1129 F HN 0.575 nan 8.300 nan 0.000 0.488 1130 C N 0.120 119.560 119.300 0.233 0.000 3.270 1130 C HA 0.644 5.104 4.460 -0.000 0.000 0.369 1130 C C 0.041 175.067 174.990 0.060 0.000 1.326 1130 C CA -0.163 58.918 59.018 0.104 0.000 1.846 1130 C CB -0.021 27.771 27.740 0.087 0.000 2.534 1130 C HN 0.614 nan 8.230 nan 0.000 0.649 1131 I N 0.379 121.006 120.570 0.095 0.000 2.512 1131 I HA 0.566 4.736 4.170 -0.000 0.000 0.287 1131 I C -0.561 175.572 176.117 0.027 0.000 1.069 1131 I CA -1.877 59.448 61.300 0.042 0.000 1.056 1131 I CB 0.818 38.836 38.000 0.030 0.000 1.229 1131 I HN 0.075 nan 8.210 nan 0.000 0.429 1132 S N 7.403 123.114 115.700 0.018 0.000 2.516 1132 S HA 0.684 5.154 4.470 -0.000 0.000 0.268 1132 S C -0.532 174.064 174.600 -0.007 0.000 1.251 1132 S CA -0.446 57.762 58.200 0.013 0.000 1.153 1132 S CB 0.007 63.212 63.200 0.009 0.000 1.009 1132 S HN 0.443 nan 8.310 nan 0.000 0.479 1133 I N 4.075 124.646 120.570 0.001 0.000 2.664 1133 I HA 0.287 4.457 4.170 -0.000 0.000 0.308 1133 I C 1.106 177.244 176.117 0.035 0.000 0.984 1133 I CA -1.395 59.871 61.300 -0.056 0.000 1.213 1133 I CB 0.717 38.698 38.000 -0.031 0.000 1.379 1133 I HN 0.717 nan 8.210 nan 0.000 0.501 1134 H N 2.807 121.889 119.070 0.019 0.000 3.267 1134 H HA -0.010 4.546 4.556 -0.000 0.000 0.239 1134 H C -0.745 174.608 175.328 0.042 0.000 0.836 1134 H CA 0.077 56.144 56.048 0.033 0.000 1.388 1134 H CB -0.642 29.141 29.762 0.034 0.000 1.505 1134 H HN 0.560 nan 8.280 nan 0.000 0.510 1135 D N 0.439 120.957 120.400 0.197 0.000 3.103 1135 D HA -0.138 4.502 4.640 -0.000 0.000 0.211 1135 D C -0.641 175.731 176.300 0.119 0.000 1.100 1135 D CA 1.087 55.178 54.000 0.153 0.000 0.961 1135 D CB -0.906 39.978 40.800 0.139 0.000 1.093 1135 D HN 0.664 nan 8.370 nan 0.000 0.427 1136 E N -0.742 119.513 120.200 0.093 0.000 2.288 1136 E HA 0.755 5.105 4.350 -0.000 0.000 0.268 1136 E C -0.900 175.719 176.600 0.031 0.000 0.885 1136 E CA -0.906 55.530 56.400 0.061 0.000 0.767 1136 E CB 2.261 31.989 29.700 0.048 0.000 1.220 1136 E HN -0.075 nan 8.360 nan 0.000 0.427 1137 V N 3.675 123.600 119.914 0.019 0.000 2.722 1137 V HA 0.354 4.474 4.120 -0.000 0.000 0.260 1137 V C -0.914 175.102 176.094 -0.129 0.000 0.941 1137 V CA -0.886 61.364 62.300 -0.083 0.000 0.888 1137 V CB 0.774 32.597 31.823 0.000 0.000 1.059 1137 V HN 0.431 nan 8.190 nan 0.000 0.486 1138 R N 2.478 122.890 120.500 -0.145 0.000 2.207 1138 R HA 0.533 4.873 4.340 -0.000 0.000 0.334 1138 R C -1.025 175.167 176.300 -0.180 0.000 1.013 1138 R CA -0.402 55.669 56.100 -0.049 0.000 0.858 1138 R CB 1.109 31.430 30.300 0.035 0.000 1.094 1138 R HN 0.511 nan 8.270 nan 0.000 0.457 1139 Y N 1.773 122.027 120.300 -0.078 0.000 2.334 1139 Y HA 0.337 4.887 4.550 -0.000 0.000 0.328 1139 Y C 0.810 176.787 175.900 0.129 0.000 1.130 1139 Y CA -0.488 57.561 58.100 -0.085 0.000 1.163 1139 Y CB 1.277 39.602 38.460 -0.224 0.000 1.207 1139 Y HN 0.300 nan 8.280 nan 0.000 0.471 1140 L N 3.776 125.205 121.223 0.343 0.000 2.309 1140 L HA 0.749 5.089 4.340 -0.000 0.000 0.282 1140 L C -1.328 175.693 176.870 0.252 0.000 1.036 1140 L CA -0.821 54.193 54.840 0.289 0.000 0.806 1140 L CB 1.135 43.371 42.059 0.295 0.000 1.220 1140 L HN 0.442 nan 8.230 nan 0.000 0.429 1141 V N 4.295 124.329 119.914 0.200 0.000 2.760 1141 V HA 0.432 4.552 4.120 -0.000 0.000 0.309 1141 V C -0.219 175.799 176.094 -0.127 0.000 1.077 1141 V CA -0.962 61.405 62.300 0.112 0.000 0.910 1141 V CB 2.019 33.935 31.823 0.155 0.000 1.008 1141 V HN 0.750 nan 8.190 nan 0.000 0.424 1142 R N 1.872 122.184 120.500 -0.312 0.000 2.583 1142 R HA -0.016 4.324 4.340 -0.000 0.000 0.274 1142 R C 1.323 177.381 176.300 -0.403 0.000 0.998 1142 R CA 0.121 55.755 56.100 -0.777 0.000 1.081 1142 R CB 0.775 30.793 30.300 -0.470 0.000 0.940 1142 R HN 0.905 nan 8.270 nan 0.000 0.413 1143 E N 2.573 122.543 120.200 -0.384 0.000 2.086 1143 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 1143 E C 0.239 176.761 176.600 -0.130 0.000 1.027 1143 E CA 1.804 58.117 56.400 -0.146 0.000 0.830 1143 E CB 0.150 29.804 29.700 -0.077 0.000 0.751 1143 E HN 0.658 nan 8.360 nan 0.000 0.456 1144 E N -0.171 119.927 120.200 -0.170 0.000 2.416 1144 E HA -0.051 4.299 4.350 -0.000 0.000 0.254 1144 E C -0.093 176.413 176.600 -0.156 0.000 1.241 1144 E CA 0.407 56.695 56.400 -0.187 0.000 0.969 1144 E CB 0.350 29.947 29.700 -0.171 0.000 0.999 1144 E HN 0.108 nan 8.360 nan 0.000 0.481 1145 D N -0.966 119.334 120.400 -0.167 0.000 2.946 1145 D HA -0.184 4.456 4.640 -0.000 0.000 0.202 1145 D C 0.936 177.227 176.300 -0.016 0.000 1.068 1145 D CA 1.214 55.160 54.000 -0.090 0.000 1.011 1145 D CB -0.793 39.973 40.800 -0.057 0.000 1.105 1145 D HN 0.480 nan 8.370 nan 0.000 0.425 1146 R N -0.596 119.904 120.500 -0.000 0.000 2.285 1146 R HA -0.014 4.326 4.340 -0.000 0.000 0.213 1146 R C 1.590 178.132 176.300 0.403 0.000 1.068 1146 R CA 0.824 57.034 56.100 0.184 0.000 1.004 1146 R CB -0.124 30.306 30.300 0.218 0.000 0.873 1146 R HN 0.566 nan 8.270 nan 0.000 0.467 1147 Y N -0.436 119.852 120.300 -0.019 0.000 2.389 1147 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 1147 Y C 2.148 178.015 175.900 -0.055 0.000 1.117 1147 Y CA -0.207 57.877 58.100 -0.027 0.000 1.195 1147 Y CB 0.191 38.637 38.460 -0.024 0.000 1.076 1147 Y HN -0.068 nan 8.280 nan 0.000 0.548 1148 R N 1.015 121.566 120.500 0.085 0.000 2.096 1148 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 1148 R C 2.390 178.607 176.300 -0.138 0.000 1.127 1148 R CA 1.183 57.259 56.100 -0.039 0.000 0.968 1148 R CB -0.863 29.391 30.300 -0.076 0.000 0.861 1148 R HN 0.273 nan 8.270 nan 0.000 0.440 1149 A N 1.334 124.103 122.820 -0.084 0.000 1.845 1149 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 1149 A C 2.424 179.963 177.584 -0.074 0.000 1.195 1149 A CA 1.833 53.805 52.037 -0.108 0.000 0.616 1149 A CB -1.269 17.837 19.000 0.175 0.000 0.832 1149 A HN 0.349 nan 8.150 nan 0.000 0.443 1150 A N -0.281 122.550 122.820 0.018 0.000 1.896 1150 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 1150 A C 2.242 179.799 177.584 -0.044 0.000 1.206 1150 A CA 1.873 53.911 52.037 0.002 0.000 0.647 1150 A CB -0.908 18.087 19.000 -0.007 0.000 0.828 1150 A HN 0.512 nan 8.150 nan 0.000 0.455 1151 L N -1.166 120.024 121.223 -0.055 0.000 1.971 1151 L HA -0.303 4.037 4.340 -0.000 0.000 0.215 1151 L C 3.191 179.993 176.870 -0.112 0.000 1.072 1151 L CA 1.668 56.467 54.840 -0.068 0.000 0.758 1151 L CB -0.817 41.206 42.059 -0.061 0.000 0.889 1151 L HN 0.523 nan 8.230 nan 0.000 0.433 1152 A N 0.076 122.775 122.820 -0.202 0.000 1.903 1152 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 1152 A C 2.159 179.629 177.584 -0.189 0.000 1.191 1152 A CA 1.859 53.742 52.037 -0.255 0.000 0.638 1152 A CB -0.850 17.805 19.000 -0.574 0.000 0.823 1152 A HN 0.412 nan 8.150 nan 0.000 0.451 1153 L N -1.359 119.743 121.223 -0.201 0.000 1.956 1153 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 1153 L C 2.927 179.666 176.870 -0.219 0.000 1.073 1153 L CA 2.446 57.141 54.840 -0.241 0.000 0.762 1153 L CB -1.281 40.659 42.059 -0.198 0.000 0.889 1153 L HN 0.570 nan 8.230 nan 0.000 0.433 1154 Q N -0.141 119.587 119.800 -0.120 0.000 2.077 1154 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 1154 Q C 2.231 178.128 176.000 -0.171 0.000 0.989 1154 Q CA 1.822 57.561 55.803 -0.108 0.000 0.853 1154 Q CB 0.051 28.852 28.738 0.106 0.000 0.907 1154 Q HN 0.328 nan 8.270 nan 0.000 0.418 1155 I N 0.254 120.765 120.570 -0.098 0.000 2.044 1155 I HA -0.362 3.808 4.170 -0.000 0.000 0.234 1155 I C 2.261 178.286 176.117 -0.153 0.000 1.031 1155 I CA 2.044 63.280 61.300 -0.106 0.000 1.305 1155 I CB -1.897 36.054 38.000 -0.082 0.000 1.026 1155 I HN 0.283 nan 8.210 nan 0.000 0.392 1156 T N 1.767 116.246 114.554 -0.125 0.000 2.736 1156 T HA -0.255 4.095 4.350 -0.000 0.000 0.265 1156 T C 1.750 176.369 174.700 -0.135 0.000 1.031 1156 T CA 1.836 63.891 62.100 -0.075 0.000 1.155 1156 T CB -0.380 68.453 68.868 -0.057 0.000 0.849 1156 T HN 0.304 nan 8.240 nan 0.000 0.471 1157 N N 0.986 119.505 118.700 -0.301 0.000 2.004 1157 N HA -0.082 4.658 4.740 -0.000 0.000 0.196 1157 N C 1.998 177.340 175.510 -0.280 0.000 1.064 1157 N CA 1.808 54.623 53.050 -0.391 0.000 0.855 1157 N CB -0.654 37.402 38.487 -0.718 0.000 1.056 1157 N HN 0.470 nan 8.380 nan 0.000 0.423 1158 L N 0.543 121.517 121.223 -0.414 0.000 1.980 1158 L HA -0.250 4.090 4.340 -0.000 0.000 0.232 1158 L C 2.491 179.268 176.870 -0.154 0.000 1.092 1158 L CA 1.702 56.309 54.840 -0.388 0.000 0.808 1158 L CB -1.469 40.285 42.059 -0.509 0.000 0.908 1158 L HN 0.086 nan 8.230 nan 0.000 0.442 1159 L N -0.339 120.821 121.223 -0.105 0.000 2.011 1159 L HA -0.301 4.039 4.340 -0.000 0.000 0.225 1159 L C 2.810 179.782 176.870 0.170 0.000 1.084 1159 L CA 2.302 57.147 54.840 0.008 0.000 0.791 1159 L CB -1.386 40.666 42.059 -0.011 0.000 0.898 1159 L HN 0.489 nan 8.230 nan 0.000 0.440 1160 T N -0.831 113.867 114.554 0.240 0.000 2.607 1160 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 1160 T C 1.977 176.877 174.700 0.333 0.000 1.049 1160 T CA 1.917 64.209 62.100 0.320 0.000 1.162 1160 T CB -0.214 68.750 68.868 0.160 0.000 0.863 1160 T HN 0.246 nan 8.240 nan 0.000 0.424 1161 R N 0.112 120.753 120.500 0.236 0.000 2.103 1161 R HA -0.062 4.278 4.340 -0.000 0.000 0.242 1161 R C 2.752 179.230 176.300 0.296 0.000 1.142 1161 R CA 1.305 57.535 56.100 0.217 0.000 0.960 1161 R CB -1.223 29.100 30.300 0.038 0.000 0.858 1161 R HN 0.392 nan 8.270 nan 0.000 0.439 1162 C N 0.676 120.074 119.300 0.163 0.000 2.550 1162 C HA -0.214 4.246 4.460 -0.000 0.000 0.287 1162 C C 2.750 177.623 174.990 -0.195 0.000 1.210 1162 C CA 1.435 60.511 59.018 0.097 0.000 1.776 1162 C CB -1.013 26.715 27.740 -0.021 0.000 2.032 1162 C HN 0.684 nan 8.230 nan 0.000 0.439 1163 M N -0.416 118.997 119.600 -0.311 0.000 2.146 1163 M HA -0.258 4.222 4.480 -0.000 0.000 0.256 1163 M C 1.909 178.089 176.300 -0.201 0.000 1.075 1163 M CA 2.415 57.446 55.300 -0.448 0.000 1.082 1163 M CB -1.019 31.584 32.600 0.004 0.000 1.355 1163 M HN 0.331 nan 8.290 nan 0.000 0.402 1164 F N 1.251 121.199 119.950 -0.005 0.000 2.065 1164 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 1164 F C 2.641 178.515 175.800 0.123 0.000 1.112 1164 F CA 2.281 60.392 58.000 0.185 0.000 1.212 1164 F CB -0.997 38.183 39.000 0.301 0.000 0.975 1164 F HN 0.357 nan 8.300 nan 0.000 0.476 1165 A N -1.378 121.716 122.820 0.456 0.000 2.204 1165 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 1165 A C 1.527 179.419 177.584 0.513 0.000 1.165 1165 A CA 1.956 54.290 52.037 0.496 0.000 0.671 1165 A CB -0.969 18.420 19.000 0.649 0.000 0.792 1165 A HN 0.556 nan 8.150 nan 0.000 0.473 1166 Y N -1.598 118.648 120.300 -0.090 0.000 2.506 1166 Y HA 0.176 4.726 4.550 -0.000 0.000 0.287 1166 Y C 2.087 177.819 175.900 -0.280 0.000 1.147 1166 Y CA -0.033 57.984 58.100 -0.137 0.000 1.241 1166 Y CB -0.829 37.572 38.460 -0.099 0.000 1.279 1166 Y HN 0.004 nan 8.280 nan 0.000 0.527 1167 K N 1.162 121.343 120.400 -0.365 0.000 2.000 1167 K HA -0.115 4.205 4.320 -0.000 0.000 0.218 1167 K C 1.588 177.860 176.600 -0.547 0.000 1.053 1167 K CA 1.458 57.245 56.287 -0.833 0.000 0.946 1167 K CB -1.030 30.136 32.500 -2.223 0.000 0.723 1167 K HN 0.304 nan 8.250 nan 0.000 0.446 1168 L N 0.097 121.070 121.223 -0.417 0.000 2.672 1168 L HA 0.156 4.496 4.340 -0.000 0.000 0.236 1168 L C 1.083 177.932 176.870 -0.035 0.000 1.186 1168 L CA -0.290 54.502 54.840 -0.080 0.000 0.977 1168 L CB 0.172 42.302 42.059 0.119 0.000 1.203 1168 L HN 0.198 nan 8.230 nan 0.000 0.448 1169 G N -0.655 108.114 108.800 -0.053 0.000 2.772 1169 G HA2 0.421 4.381 3.960 -0.000 0.000 0.284 1169 G HA3 0.421 4.381 3.960 -0.000 0.000 0.284 1169 G C -1.932 172.930 174.900 -0.064 0.000 1.217 1169 G CA -0.335 44.750 45.100 -0.026 0.000 0.831 1169 G HN -0.203 nan 8.290 nan 0.000 0.523 1170 L N 2.195 123.328 121.223 -0.149 0.000 2.492 1170 L HA 0.340 4.680 4.340 -0.000 0.000 0.258 1170 L C -0.231 176.370 176.870 -0.448 0.000 1.028 1170 L CA -0.482 54.220 54.840 -0.229 0.000 0.900 1170 L CB 0.278 42.252 42.059 -0.142 0.000 1.191 1170 L HN 0.712 nan 8.230 nan 0.000 0.459 1171 N N 2.921 121.109 118.700 -0.853 0.000 2.693 1171 N HA -0.247 4.493 4.740 -0.000 0.000 0.255 1171 N C -0.593 174.480 175.510 -0.729 0.000 0.975 1171 N CA 1.292 53.655 53.050 -1.145 0.000 0.792 1171 N CB -0.755 37.574 38.487 -0.262 0.000 0.931 1171 N HN 0.710 nan 8.380 nan 0.000 0.541 1172 D N -1.394 118.615 120.400 -0.652 0.000 3.133 1172 D HA 0.490 5.130 4.640 -0.000 0.000 0.282 1172 D C -1.222 175.122 176.300 0.073 0.000 1.059 1172 D CA -0.430 53.522 54.000 -0.081 0.000 0.721 1172 D CB 0.445 41.226 40.800 -0.031 0.000 1.558 1172 D HN 0.083 nan 8.370 nan 0.000 0.467 1173 L N 1.014 122.338 121.223 0.169 0.000 2.703 1173 L HA 0.374 4.714 4.340 -0.000 0.000 0.257 1173 L C -2.504 174.501 176.870 0.225 0.000 0.923 1173 L CA -1.511 53.494 54.840 0.276 0.000 0.936 1173 L CB 2.343 44.751 42.059 0.582 0.000 1.482 1173 L HN 0.285 nan 8.230 nan 0.000 0.432 1174 P HA -0.173 nan 4.420 nan 0.000 0.277 1174 P C -1.039 176.304 177.300 0.071 0.000 1.221 1174 P CA 0.403 63.610 63.100 0.178 0.000 0.802 1174 P CB 0.281 32.218 31.700 0.394 0.000 0.806 1175 Q N 1.318 121.153 119.800 0.058 0.000 2.397 1175 Q HA 0.213 4.553 4.340 -0.000 0.000 0.193 1175 Q C 0.914 176.922 176.000 0.012 0.000 1.083 1175 Q CA 0.170 56.002 55.803 0.049 0.000 1.108 1175 Q CB 0.007 28.790 28.738 0.075 0.000 1.172 1175 Q HN 0.556 nan 8.270 nan 0.000 0.617 1176 S N -2.314 113.423 115.700 0.062 0.000 2.879 1176 S HA -0.256 4.214 4.470 -0.000 0.000 0.280 1176 S C 0.964 175.477 174.600 -0.144 0.000 1.317 1176 S CA 1.493 59.714 58.200 0.035 0.000 1.310 1176 S CB -2.245 60.977 63.200 0.035 0.000 1.616 1176 S HN 0.524 nan 8.310 nan 0.000 0.717 1177 V N 1.415 121.151 119.914 -0.297 0.000 2.725 1177 V HA 0.259 4.379 4.120 -0.000 0.000 0.247 1177 V C 3.033 178.840 176.094 -0.477 0.000 1.058 1177 V CA 1.416 63.327 62.300 -0.649 0.000 1.080 1177 V CB -1.115 30.055 31.823 -1.089 0.000 0.713 1177 V HN 0.820 nan 8.190 nan 0.000 0.465 1178 A N -0.338 122.243 122.820 -0.398 0.000 1.898 1178 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 1178 A C 0.877 177.918 177.584 -0.905 0.000 1.181 1178 A CA 1.136 52.785 52.037 -0.646 0.000 0.620 1178 A CB -0.328 18.278 19.000 -0.657 0.000 0.819 1178 A HN 0.453 nan 8.150 nan 0.000 0.442 1179 F N -2.173 117.705 119.950 -0.120 0.000 2.458 1179 F HA 0.399 4.926 4.527 -0.000 0.000 0.336 1179 F C 0.284 176.105 175.800 0.034 0.000 1.114 1179 F CA -0.834 57.126 58.000 -0.067 0.000 0.987 1179 F CB 1.102 40.044 39.000 -0.097 0.000 1.130 1179 F HN 0.146 nan 8.300 nan 0.000 0.458 1180 F N 2.982 122.987 119.950 0.091 0.000 2.585 1180 F HA -0.227 4.300 4.527 -0.000 0.000 0.306 1180 F C 1.289 177.091 175.800 0.004 0.000 1.391 1180 F CA 0.402 58.416 58.000 0.023 0.000 1.463 1180 F CB -0.673 38.347 39.000 0.034 0.000 1.176 1180 F HN 0.822 nan 8.300 nan 0.000 0.559 1181 S N -0.280 115.469 115.700 0.081 0.000 4.159 1181 S HA -0.354 4.116 4.470 -0.000 0.000 0.538 1181 S C 0.276 174.855 174.600 -0.035 0.000 1.816 1181 S CA 1.005 59.186 58.200 -0.031 0.000 4.197 1181 S CB -1.166 61.954 63.200 -0.133 0.000 0.648 1181 S HN 1.012 nan 8.310 nan 0.000 0.454 1182 A N 0.260 123.017 122.820 -0.105 0.000 2.594 1182 A HA 0.634 4.954 4.320 -0.000 0.000 0.296 1182 A C -1.001 176.514 177.584 -0.114 0.000 1.056 1182 A CA -0.114 51.881 52.037 -0.070 0.000 0.693 1182 A CB 1.306 20.267 19.000 -0.065 0.000 1.278 1182 A HN 1.010 nan 8.150 nan 0.000 0.408 1183 V N 2.023 121.928 119.914 -0.015 0.000 2.498 1183 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 1183 V C -0.747 175.332 176.094 -0.024 0.000 1.048 1183 V CA -0.146 62.161 62.300 0.011 0.000 0.967 1183 V CB 1.376 33.261 31.823 0.104 0.000 0.988 1183 V HN 0.822 nan 8.190 nan 0.000 0.473 1184 D N 4.694 125.083 120.400 -0.020 0.000 2.329 1184 D HA 0.517 5.157 4.640 -0.000 0.000 0.232 1184 D C -0.403 175.921 176.300 0.040 0.000 1.088 1184 D CA -0.115 53.882 54.000 -0.005 0.000 0.835 1184 D CB 1.309 42.098 40.800 -0.019 0.000 1.078 1184 D HN 0.434 nan 8.370 nan 0.000 0.495 1185 I N -0.605 119.991 120.570 0.043 0.000 2.389 1185 I HA 0.710 4.880 4.170 -0.000 0.000 0.288 1185 I C -0.503 175.666 176.117 0.086 0.000 0.999 1185 I CA -0.358 60.991 61.300 0.082 0.000 1.129 1185 I CB 1.749 39.806 38.000 0.095 0.000 1.288 1185 I HN 0.067 nan 8.210 nan 0.000 0.444 1186 D N 4.045 124.509 120.400 0.108 0.000 2.713 1186 D HA 0.350 4.990 4.640 -0.000 0.000 0.306 1186 D C -0.104 176.285 176.300 0.149 0.000 1.299 1186 D CA -0.526 53.544 54.000 0.117 0.000 0.823 1186 D CB 1.787 42.645 40.800 0.098 0.000 1.353 1186 D HN 0.700 nan 8.370 nan 0.000 0.447 1187 R N -0.307 120.300 120.500 0.179 0.000 2.335 1187 R HA 0.285 4.625 4.340 -0.000 0.000 0.210 1187 R C 1.337 177.788 176.300 0.251 0.000 0.892 1187 R CA -0.287 55.949 56.100 0.227 0.000 1.048 1187 R CB -0.334 30.116 30.300 0.250 0.000 1.067 1187 R HN 0.248 nan 8.270 nan 0.000 0.524 1188 C N 0.805 120.227 119.300 0.204 0.000 2.425 1188 C HA 0.442 4.902 4.460 -0.000 0.000 0.330 1188 C C -0.060 174.949 174.990 0.031 0.000 2.590 1188 C CA -0.406 58.689 59.018 0.128 0.000 1.822 1188 C CB 0.480 28.294 27.740 0.124 0.000 1.989 1188 C HN 0.434 nan 8.230 nan 0.000 0.437 1189 L N 3.120 124.309 121.223 -0.057 0.000 2.625 1189 L HA 0.488 4.828 4.340 -0.000 0.000 0.255 1189 L C -0.118 176.704 176.870 -0.081 0.000 1.493 1189 L CA 0.446 55.247 54.840 -0.066 0.000 0.796 1189 L CB -0.797 41.199 42.059 -0.105 0.000 1.064 1189 L HN 0.667 nan 8.230 nan 0.000 0.516 1190 R N 0.976 121.445 120.500 -0.052 0.000 2.628 1190 R HA 0.337 4.677 4.340 -0.000 0.000 0.288 1190 R C -0.269 176.007 176.300 -0.041 0.000 0.980 1190 R CA -0.946 55.118 56.100 -0.060 0.000 0.891 1190 R CB 2.527 32.787 30.300 -0.066 0.000 1.188 1190 R HN 0.126 nan 8.270 nan 0.000 0.450 1191 K N 3.245 123.618 120.400 -0.046 0.000 2.253 1191 K HA -0.127 4.193 4.320 -0.000 0.000 0.273 1191 K C -0.123 176.449 176.600 -0.046 0.000 1.118 1191 K CA 1.029 57.291 56.287 -0.043 0.000 1.100 1191 K CB -0.030 32.444 32.500 -0.043 0.000 0.932 1191 K HN 0.695 nan 8.250 nan 0.000 0.433 1192 E N 2.620 122.793 120.200 -0.045 0.000 3.964 1192 E HA -0.202 4.148 4.350 -0.000 0.000 0.338 1192 E C 0.040 176.622 176.600 -0.030 0.000 0.756 1192 E CA 0.634 57.006 56.400 -0.046 0.000 1.332 1192 E CB -1.901 27.767 29.700 -0.054 0.000 1.681 1192 E HN 0.532 nan 8.360 nan 0.000 0.397 1193 V N 0.672 120.575 119.914 -0.018 0.000 1.209 1193 V HA -0.438 3.682 4.120 -0.000 0.000 0.105 1193 V C 1.311 177.404 176.094 -0.001 0.000 1.333 1193 V CA 4.681 66.981 62.300 -0.001 0.000 2.694 1193 V CB -1.504 30.327 31.823 0.014 0.000 0.761 1193 V HN 1.406 nan 8.190 nan 0.000 0.233 1194 T N -0.495 114.066 114.554 0.012 0.000 3.538 1194 T HA -0.286 4.064 4.350 -0.000 0.000 0.385 1194 T C 0.080 174.783 174.700 0.004 0.000 0.766 1194 T CA 2.619 64.726 62.100 0.012 0.000 1.906 1194 T CB -0.872 67.999 68.868 0.005 0.000 1.760 1194 T HN 0.958 nan 8.240 nan 0.000 0.678 1195 M N 0.883 120.486 119.600 0.005 0.000 3.207 1195 M HA 0.352 4.832 4.480 -0.000 0.000 0.202 1195 M C -0.251 176.052 176.300 0.006 0.000 1.730 1195 M CA 1.451 56.748 55.300 -0.005 0.000 1.461 1195 M CB 0.606 33.194 32.600 -0.020 0.000 1.013 1195 M HN 0.731 nan 8.290 nan 0.000 0.592 1196 D N -1.532 118.875 120.400 0.012 0.000 10.594 1196 D HA -0.170 4.470 4.640 -0.000 0.000 0.330 1196 D C -1.241 175.052 176.300 -0.013 0.000 3.155 1196 D CA -0.173 53.845 54.000 0.030 0.000 2.720 1196 D CB -1.082 39.742 40.800 0.041 0.000 1.258 1196 D HN 0.452 nan 8.370 nan 0.000 0.953 1197 C N 2.644 121.921 119.300 -0.038 0.000 2.787 1197 C HA 0.439 4.899 4.460 -0.000 0.000 0.265 1197 C C 1.546 176.491 174.990 -0.076 0.000 1.190 1197 C CA -0.493 58.479 59.018 -0.076 0.000 1.616 1197 C CB -1.067 26.599 27.740 -0.123 0.000 1.732 1197 C HN 0.649 nan 8.230 nan 0.000 0.433 1198 K N 1.613 121.986 120.400 -0.045 0.000 2.032 1198 K HA -0.142 4.177 4.320 -0.000 0.000 0.218 1198 K C 1.293 177.859 176.600 -0.057 0.000 1.054 1198 K CA 2.009 58.276 56.287 -0.034 0.000 0.941 1198 K CB -0.270 32.219 32.500 -0.019 0.000 0.720 1198 K HN 0.796 nan 8.250 nan 0.000 0.449 1199 T N 0.119 114.630 114.554 -0.072 0.000 2.898 1199 T HA 0.227 4.577 4.350 -0.000 0.000 0.301 1199 T C -2.522 172.100 174.700 -0.129 0.000 1.049 1199 T CA -1.707 60.338 62.100 -0.090 0.000 1.095 1199 T CB 1.227 70.039 68.868 -0.094 0.000 0.976 1199 T HN 0.036 nan 8.240 nan 0.000 0.539 1200 P HA 0.168 nan 4.420 nan 0.000 0.287 1200 P C 0.849 178.090 177.300 -0.099 0.000 1.294 1200 P CA 0.089 63.106 63.100 -0.138 0.000 0.776 1200 P CB 0.859 32.443 31.700 -0.194 0.000 0.889 1201 S N 4.727 120.390 115.700 -0.062 0.000 4.150 1201 S HA -0.361 4.109 4.470 -0.000 0.000 0.541 1201 S C 1.425 176.016 174.600 -0.014 0.000 1.860 1201 S CA 1.849 60.031 58.200 -0.030 0.000 4.226 1201 S CB -2.490 60.694 63.200 -0.026 0.000 0.445 1201 S HN 0.488 nan 8.310 nan 0.000 0.470 1202 N N 3.417 122.123 118.700 0.010 0.000 2.300 1202 N HA 0.232 4.972 4.740 -0.000 0.000 0.179 1202 N C -1.000 174.558 175.510 0.080 0.000 1.016 1202 N CA 0.941 54.027 53.050 0.061 0.000 0.876 1202 N CB -1.907 36.642 38.487 0.103 0.000 0.979 1202 N HN 0.451 nan 8.380 nan 0.000 0.432 1203 P HA -0.254 nan 4.420 nan 0.000 0.222 1203 P C 1.346 178.604 177.300 -0.069 0.000 0.821 1203 P CA 2.634 65.600 63.100 -0.224 0.000 1.062 1203 P CB -0.503 30.988 31.700 -0.350 0.000 0.720 1204 T N -1.683 112.829 114.554 -0.070 0.000 2.624 1204 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 1204 T C 1.903 176.665 174.700 0.103 0.000 1.041 1204 T CA 1.902 64.022 62.100 0.033 0.000 1.159 1204 T CB -1.899 66.973 68.868 0.007 0.000 0.863 1204 T HN 0.342 nan 8.240 nan 0.000 0.434 1205 G N 2.281 111.124 108.800 0.072 0.000 2.802 1205 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.222 1205 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.222 1205 G C 1.492 176.481 174.900 0.149 0.000 1.248 1205 G CA 1.653 46.807 45.100 0.089 0.000 0.787 1205 G HN 0.390 nan 8.290 nan 0.000 0.643 1206 M N 1.501 121.238 119.600 0.228 0.000 2.374 1206 M HA 0.011 4.491 4.480 -0.000 0.000 0.264 1206 M C 2.271 178.841 176.300 0.450 0.000 1.067 1206 M CA 2.042 57.535 55.300 0.322 0.000 1.103 1206 M CB -0.745 32.111 32.600 0.425 0.000 1.402 1206 M HN 0.581 nan 8.290 nan 0.000 0.444 1207 E N 0.838 121.314 120.200 0.460 0.000 2.023 1207 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 1207 E C 1.815 178.678 176.600 0.437 0.000 1.003 1207 E CA 2.630 59.468 56.400 0.729 0.000 0.809 1207 E CB -0.267 29.677 29.700 0.407 0.000 0.755 1207 E HN 0.646 nan 8.360 nan 0.000 0.449 1208 R N 0.386 121.008 120.500 0.203 0.000 2.115 1208 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 1208 R C 2.440 178.710 176.300 -0.050 0.000 1.133 1208 R CA 2.024 58.159 56.100 0.059 0.000 0.935 1208 R CB -0.722 29.609 30.300 0.053 0.000 0.853 1208 R HN 0.094 nan 8.270 nan 0.000 0.433 1209 R N 0.290 120.804 120.500 0.023 0.000 2.313 1209 R HA -0.031 4.309 4.340 -0.000 0.000 0.199 1209 R C 1.539 177.851 176.300 0.020 0.000 0.958 1209 R CA 0.343 56.444 56.100 0.000 0.000 1.047 1209 R CB -0.044 30.281 30.300 0.042 0.000 0.955 1209 R HN 0.610 nan 8.270 nan 0.000 0.481 1210 Y N -3.053 117.358 120.300 0.186 0.000 2.206 1210 Y HA 0.281 4.831 4.550 -0.000 0.000 0.292 1210 Y C 1.218 177.232 175.900 0.190 0.000 1.123 1210 Y CA 1.344 59.601 58.100 0.262 0.000 1.142 1210 Y CB -0.279 38.507 38.460 0.542 0.000 1.006 1210 Y HN -0.038 nan 8.280 nan 0.000 0.518 1211 G N 0.283 108.188 108.800 -1.491 0.000 4.328 1211 G HA2 0.050 4.010 3.960 -0.000 0.000 0.133 1211 G HA3 0.050 4.010 3.960 -0.000 0.000 0.133 1211 G C -0.768 173.665 174.900 -0.777 0.000 1.397 1211 G CA -0.097 44.379 45.100 -1.041 0.000 1.001 1211 G HN 0.089 nan 8.290 nan 0.000 0.325 1212 I N 3.440 123.529 120.570 -0.803 0.000 2.845 1212 I HA 0.219 4.389 4.170 -0.000 0.000 0.296 1212 I C -1.206 174.891 176.117 -0.035 0.000 1.216 1212 I CA -1.672 59.591 61.300 -0.062 0.000 1.438 1212 I CB 1.416 39.630 38.000 0.356 0.000 1.342 1212 I HN 0.059 nan 8.210 nan 0.000 0.577 1213 P HA -0.001 nan 4.420 nan 0.000 0.241 1213 P C -0.757 176.571 177.300 0.047 0.000 1.191 1213 P CA 0.221 63.334 63.100 0.023 0.000 0.771 1213 P CB 0.191 31.908 31.700 0.027 0.000 0.929 1214 Q N -3.433 116.412 119.800 0.076 0.000 1.603 1214 Q HA 0.048 4.388 4.340 -0.000 0.000 0.059 1214 Q C -0.281 175.760 176.000 0.069 0.000 1.273 1214 Q CA 0.325 56.171 55.803 0.071 0.000 0.200 1214 Q CB -1.621 27.145 28.738 0.048 0.000 4.956 1214 Q HN 0.333 nan 8.270 nan 0.000 0.295 1215 G N 0.195 109.030 108.800 0.060 0.000 2.798 1215 G HA2 0.658 4.618 3.960 -0.000 0.000 0.286 1215 G HA3 0.658 4.618 3.960 -0.000 0.000 0.286 1215 G C -1.308 173.612 174.900 0.034 0.000 1.389 1215 G CA -0.500 44.634 45.100 0.057 0.000 0.894 1215 G HN 0.392 nan 8.290 nan 0.000 0.488 1216 E N -1.177 119.040 120.200 0.027 0.000 2.254 1216 E HA 0.655 5.005 4.350 -0.000 0.000 0.258 1216 E C -0.667 175.924 176.600 -0.014 0.000 1.033 1216 E CA -0.878 55.523 56.400 0.001 0.000 0.893 1216 E CB 2.183 31.875 29.700 -0.013 0.000 1.204 1216 E HN 0.644 nan 8.360 nan 0.000 0.425 1217 A N 1.633 124.433 122.820 -0.034 0.000 2.429 1217 A HA 0.487 4.807 4.320 -0.000 0.000 0.289 1217 A C -1.757 175.793 177.584 -0.057 0.000 1.043 1217 A CA -0.607 51.402 52.037 -0.046 0.000 0.722 1217 A CB 0.639 19.610 19.000 -0.048 0.000 1.243 1217 A HN 0.242 nan 8.150 nan 0.000 0.415 1218 L N 2.437 123.616 121.223 -0.073 0.000 2.346 1218 L HA 0.475 4.815 4.340 -0.000 0.000 0.276 1218 L C -0.751 176.078 176.870 -0.068 0.000 1.006 1218 L CA -0.593 54.203 54.840 -0.074 0.000 0.817 1218 L CB 1.757 43.739 42.059 -0.128 0.000 1.272 1218 L HN 0.645 nan 8.230 nan 0.000 0.421 1219 D N 4.901 125.274 120.400 -0.044 0.000 2.336 1219 D HA 0.377 5.017 4.640 -0.000 0.000 0.249 1219 D C 1.423 177.510 176.300 -0.354 0.000 1.213 1219 D CA -0.232 53.696 54.000 -0.120 0.000 0.870 1219 D CB 0.884 41.688 40.800 0.007 0.000 1.076 1219 D HN 0.434 nan 8.370 nan 0.000 0.483 1220 I N 0.498 120.792 120.570 -0.460 0.000 4.906 1220 I HA -0.546 3.624 4.170 -0.000 0.000 0.038 1220 I C 2.095 177.947 176.117 -0.440 0.000 0.635 1220 I CA 1.765 62.679 61.300 -0.643 0.000 0.223 1220 I CB -1.546 35.675 38.000 -1.298 0.000 0.328 1220 I HN 0.421 nan 8.210 nan 0.000 0.153 1221 Y N 1.382 121.555 120.300 -0.211 0.000 2.024 1221 Y HA -0.378 4.172 4.550 -0.000 0.000 0.257 1221 Y C 2.583 178.418 175.900 -0.108 0.000 1.233 1221 Y CA 2.170 60.181 58.100 -0.148 0.000 1.087 1221 Y CB -2.090 36.284 38.460 -0.144 0.000 0.905 1221 Y HN 0.464 nan 8.280 nan 0.000 0.503 1222 Q N 0.695 120.722 119.800 0.378 0.000 2.103 1222 Q HA -0.271 4.069 4.340 -0.000 0.000 0.213 1222 Q C 2.370 178.380 176.000 0.016 0.000 1.008 1222 Q CA 2.869 58.748 55.803 0.127 0.000 0.879 1222 Q CB -0.867 27.930 28.738 0.099 0.000 0.946 1222 Q HN 0.836 nan 8.270 nan 0.000 0.413 1223 I N -0.791 119.752 120.570 -0.046 0.000 2.127 1223 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 1223 I C 2.265 178.359 176.117 -0.039 0.000 1.075 1223 I CA 1.579 62.804 61.300 -0.125 0.000 1.334 1223 I CB -0.496 37.411 38.000 -0.154 0.000 1.040 1223 I HN 0.266 nan 8.210 nan 0.000 0.405 1224 I N 1.138 121.696 120.570 -0.020 0.000 2.454 1224 I HA -0.225 3.945 4.170 -0.000 0.000 0.254 1224 I C 2.269 178.404 176.117 0.030 0.000 1.156 1224 I CA 1.719 63.022 61.300 0.005 0.000 1.433 1224 I CB -0.994 37.000 38.000 -0.011 0.000 1.082 1224 I HN 0.485 nan 8.210 nan 0.000 0.432 1225 E N 0.478 120.701 120.200 0.038 0.000 2.130 1225 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 1225 E C 2.136 178.764 176.600 0.048 0.000 0.998 1225 E CA 1.224 57.644 56.400 0.034 0.000 0.806 1225 E CB 0.059 29.774 29.700 0.026 0.000 0.738 1225 E HN 0.418 nan 8.360 nan 0.000 0.459 1226 L N -0.188 121.080 121.223 0.076 0.000 2.095 1226 L HA -0.048 4.292 4.340 -0.000 0.000 0.204 1226 L C 1.983 178.930 176.870 0.127 0.000 1.080 1226 L CA 1.310 56.239 54.840 0.148 0.000 0.759 1226 L CB -1.257 41.000 42.059 0.330 0.000 0.914 1226 L HN 0.061 nan 8.230 nan 0.000 0.439 1227 T N 0.286 114.906 114.554 0.110 0.000 3.254 1227 T HA 0.222 4.572 4.350 -0.000 0.000 0.385 1227 T C 0.173 174.890 174.700 0.028 0.000 1.528 1227 T CA -0.728 61.411 62.100 0.066 0.000 1.212 1227 T CB -0.024 68.888 68.868 0.075 0.000 1.145 1227 T HN -0.008 nan 8.240 nan 0.000 0.631 1228 K N 1.981 122.392 120.400 0.018 0.000 2.322 1228 K HA 0.376 4.696 4.320 -0.000 0.000 0.283 1228 K C 1.232 177.829 176.600 -0.005 0.000 1.042 1228 K CA 0.274 56.565 56.287 0.006 0.000 0.958 1228 K CB 0.815 33.318 32.500 0.004 0.000 0.984 1228 K HN 0.936 nan 8.250 nan 0.000 0.473 1229 G N 2.405 111.200 108.800 -0.009 0.000 2.305 1229 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.287 1229 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.287 1229 G C 0.435 175.319 174.900 -0.026 0.000 1.036 1229 G CA 0.794 45.883 45.100 -0.018 0.000 0.887 1229 G HN 0.741 nan 8.290 nan 0.000 0.505 1230 S N -2.713 112.973 115.700 -0.024 0.000 3.711 1230 S HA -0.192 4.278 4.470 -0.000 0.000 0.625 1230 S C 0.361 174.942 174.600 -0.032 0.000 2.458 1230 S CA 1.843 60.024 58.200 -0.031 0.000 4.059 1230 S CB -0.816 62.358 63.200 -0.042 0.000 0.257 1230 S HN 1.989 nan 8.310 nan 0.000 0.974 1231 L N 0.097 121.298 121.223 -0.036 0.000 2.669 1231 L HA 0.715 5.055 4.340 -0.000 0.000 0.255 1231 L C -0.127 176.719 176.870 -0.040 0.000 1.123 1231 L CA -0.208 54.611 54.840 -0.034 0.000 0.941 1231 L CB 1.437 43.480 42.059 -0.025 0.000 1.552 1231 L HN 0.842 nan 8.230 nan 0.000 0.394 1232 E N -0.144 120.033 120.200 -0.037 0.000 2.897 1232 E HA 0.184 4.534 4.350 -0.000 0.000 0.132 1232 E C -0.924 175.666 176.600 -0.016 0.000 2.053 1232 E CA -0.380 55.990 56.400 -0.051 0.000 1.228 1232 E CB 0.565 30.165 29.700 -0.167 0.000 1.605 1232 E HN 0.448 nan 8.360 nan 0.000 0.859 1233 K N 0.706 121.081 120.400 -0.042 0.000 3.209 1233 K HA 0.354 4.674 4.320 -0.000 0.000 0.202 1233 K C 0.692 177.265 176.600 -0.045 0.000 1.109 1233 K CA -0.015 56.255 56.287 -0.029 0.000 0.968 1233 K CB 1.767 34.256 32.500 -0.018 0.000 0.732 1233 K HN -0.031 nan 8.250 nan 0.000 0.450 1234 R N 0.405 120.872 120.500 -0.055 0.000 1.906 1234 R HA 0.227 4.567 4.340 -0.000 0.000 0.186 1234 R C 1.840 178.115 176.300 -0.042 0.000 1.615 1234 R CA 1.333 57.398 56.100 -0.059 0.000 1.265 1234 R CB -0.567 29.686 30.300 -0.079 0.000 0.976 1234 R HN -0.023 nan 8.270 nan 0.000 0.487 1235 S N 0.721 116.399 115.700 -0.037 0.000 2.368 1235 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 1235 S C 0.553 175.138 174.600 -0.025 0.000 1.030 1235 S CA 1.168 59.352 58.200 -0.027 0.000 0.999 1235 S CB -0.157 63.030 63.200 -0.021 0.000 0.844 1235 S HN 0.311 nan 8.310 nan 0.000 0.459 1236 Q N -0.339 119.443 119.800 -0.030 0.000 2.495 1236 Q HA -0.264 4.076 4.340 -0.000 0.000 0.447 1236 Q C -0.567 175.413 176.000 -0.032 0.000 0.536 1236 Q CA 2.082 57.865 55.803 -0.032 0.000 0.992 1236 Q CB -2.849 25.871 28.738 -0.030 0.000 2.136 1236 Q HN 0.452 nan 8.270 nan 0.000 1.021 1237 P HA -0.201 nan 4.420 nan 0.000 0.215 1237 P C 1.434 178.721 177.300 -0.021 0.000 1.163 1237 P CA 2.555 65.640 63.100 -0.025 0.000 0.894 1237 P CB -0.762 30.926 31.700 -0.020 0.000 0.791 1238 G N 1.602 110.393 108.800 -0.015 0.000 2.863 1238 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 1238 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 1238 G C -1.070 173.826 174.900 -0.007 0.000 1.155 1238 G CA 1.751 46.845 45.100 -0.009 0.000 0.752 1238 G HN 0.399 nan 8.290 nan 0.000 0.666 1239 P HA 0.000 nan 4.420 nan 0.000 0.216 1239 P CA 0.000 63.101 63.100 0.002 0.000 0.800 1239 P CB 0.000 31.704 31.700 0.008 0.000 0.726