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 1ti4_1_K DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 G N -0.790 108.022 108.800 0.021 0.000 2.706 2 G HA2 0.708 4.669 3.960 0.001 0.000 0.307 2 G HA3 0.708 4.669 3.960 0.001 0.000 0.307 2 G C -1.338 173.576 174.900 0.023 0.000 1.307 2 G CA -0.566 44.547 45.100 0.023 0.000 0.790 2 G HN -0.081 nan 8.290 nan 0.000 0.503 3 E N -0.868 119.346 120.200 0.025 0.000 2.330 3 E HA 0.525 4.875 4.350 0.001 0.000 0.256 3 E C -0.242 176.379 176.600 0.035 0.000 1.146 3 E CA -0.624 55.792 56.400 0.026 0.000 0.945 3 E CB 1.832 31.545 29.700 0.021 0.000 1.182 3 E HN 0.185 nan 8.360 nan 0.000 0.480 4 V N 1.187 121.128 119.914 0.044 0.000 2.465 4 V HA 0.219 4.339 4.120 0.001 0.000 0.279 4 V C 0.054 176.177 176.094 0.048 0.000 1.045 4 V CA -0.542 61.798 62.300 0.067 0.000 0.938 4 V CB 1.400 33.286 31.823 0.104 0.000 0.986 4 V HN 0.278 nan 8.190 nan 0.000 0.467 5 V N 5.487 125.418 119.914 0.029 0.000 2.540 5 V HA 0.472 4.592 4.120 0.001 0.000 0.302 5 V C 0.163 176.183 176.094 -0.122 0.000 1.035 5 V CA -0.850 61.429 62.300 -0.034 0.000 0.873 5 V CB 1.856 33.664 31.823 -0.024 0.000 0.992 5 V HN 0.851 nan 8.190 nan 0.000 0.428 6 R N 4.698 125.043 120.500 -0.259 0.000 2.216 6 R HA 0.617 4.957 4.340 0.001 0.000 0.332 6 R C -1.117 174.989 176.300 -0.323 0.000 1.056 6 R CA -0.226 55.551 56.100 -0.538 0.000 0.901 6 R CB 0.413 30.238 30.300 -0.792 0.000 1.039 6 R HN 0.679 nan 8.270 nan 0.000 0.456 7 L N 2.099 123.190 121.223 -0.220 0.000 2.299 7 L HA 0.594 4.934 4.340 0.001 0.000 0.268 7 L C 0.244 177.124 176.870 0.017 0.000 1.012 7 L CA -1.050 53.732 54.840 -0.096 0.000 0.816 7 L CB 2.173 44.191 42.059 -0.068 0.000 1.355 7 L HN 0.683 nan 8.230 nan 0.000 0.457 8 T N -2.094 112.468 114.554 0.012 0.000 2.908 8 T HA 0.599 4.949 4.350 0.001 0.000 0.290 8 T C -0.655 174.005 174.700 -0.066 0.000 1.034 8 T CA -0.702 61.420 62.100 0.037 0.000 1.010 8 T CB 2.441 71.344 68.868 0.058 0.000 1.068 8 T HN 0.588 nan 8.240 nan 0.000 0.481 9 N N -0.538 118.094 118.700 -0.113 0.000 3.373 9 N HA 0.502 5.242 4.740 0.001 0.000 0.275 9 N C -1.661 173.723 175.510 -0.210 0.000 1.489 9 N CA -0.410 52.493 53.050 -0.246 0.000 0.872 9 N CB 1.826 39.962 38.487 -0.584 0.000 1.555 9 N HN 0.799 nan 8.380 nan 0.000 0.500 10 S N -1.017 114.542 115.700 -0.234 0.000 2.776 10 S HA 0.875 5.345 4.470 0.001 0.000 0.292 10 S C -1.503 173.030 174.600 -0.111 0.000 1.187 10 S CA 0.152 58.285 58.200 -0.112 0.000 0.834 10 S CB 0.814 64.090 63.200 0.126 0.000 1.199 10 S HN 0.961 nan 8.310 nan 0.000 0.514 11 S N -0.551 115.028 115.700 -0.203 0.000 2.655 11 S HA 0.339 4.809 4.470 0.001 0.000 0.266 11 S C 0.436 174.726 174.600 -0.517 0.000 1.149 11 S CA 0.195 58.287 58.200 -0.180 0.000 0.818 11 S CB 0.306 63.406 63.200 -0.165 0.000 1.130 11 S HN 1.192 nan 8.310 nan 0.000 0.476 12 T N -2.177 112.271 114.554 -0.178 0.000 3.160 12 T HA 0.262 4.613 4.350 0.001 0.000 0.257 12 T C 1.279 176.056 174.700 0.129 0.000 1.147 12 T CA 0.937 62.986 62.100 -0.085 0.000 1.064 12 T CB -0.670 68.378 68.868 0.300 0.000 0.949 12 T HN 1.196 nan 8.240 nan 0.000 0.526 13 G N -0.070 108.769 108.800 0.065 0.000 3.453 13 G HA2 0.567 4.528 3.960 0.001 0.000 0.263 13 G HA3 0.567 4.528 3.960 0.001 0.000 0.263 13 G C 0.595 175.404 174.900 -0.152 0.000 1.060 13 G CA -0.124 44.970 45.100 -0.011 0.000 0.793 13 G HN 0.983 nan 8.290 nan 0.000 0.532 14 G N -0.268 108.382 108.800 -0.249 0.000 2.570 14 G HA2 0.054 4.014 3.960 0.001 0.000 0.686 14 G HA3 0.054 4.014 3.960 0.001 0.000 0.686 14 G C -3.260 171.307 174.900 -0.554 0.000 1.257 14 G CA -0.961 43.844 45.100 -0.491 0.000 0.846 14 G HN 0.135 nan 8.290 nan 0.000 0.627 15 P HA 0.475 nan 4.420 nan 0.000 0.269 15 P C 0.156 177.216 177.300 -0.400 0.000 1.215 15 P CA 0.090 62.889 63.100 -0.502 0.000 0.780 15 P CB 1.253 32.619 31.700 -0.558 0.000 0.898 16 V N -1.181 118.562 119.914 -0.285 0.000 3.087 16 V HA 0.552 4.672 4.120 0.001 0.000 0.306 16 V C -1.193 174.820 176.094 -0.134 0.000 1.187 16 V CA -1.050 61.138 62.300 -0.188 0.000 0.999 16 V CB 1.824 33.659 31.823 0.020 0.000 1.049 16 V HN 0.283 nan 8.190 nan 0.000 0.431 17 F N 1.565 121.491 119.950 -0.041 0.000 2.410 17 F HA 0.688 5.216 4.527 0.001 0.000 0.349 17 F C 0.097 175.897 175.800 0.000 0.000 1.117 17 F CA -0.905 57.040 58.000 -0.092 0.000 1.104 17 F CB 2.059 40.996 39.000 -0.105 0.000 1.122 17 F HN 0.397 nan 8.300 nan 0.000 0.483 18 V N 4.979 124.987 119.914 0.156 0.000 2.357 18 V HA 0.195 4.316 4.120 0.001 0.000 0.284 18 V C -0.801 175.305 176.094 0.020 0.000 1.018 18 V CA -0.977 61.429 62.300 0.178 0.000 0.841 18 V CB 0.610 32.570 31.823 0.228 0.000 0.991 18 V HN 0.446 nan 8.190 nan 0.000 0.437 19 Y N 3.701 124.057 120.300 0.095 0.000 2.350 19 Y HA 0.587 5.138 4.550 0.001 0.000 0.340 19 Y C 0.259 176.198 175.900 0.064 0.000 1.006 19 Y CA -0.470 57.661 58.100 0.052 0.000 1.166 19 Y CB 1.446 39.926 38.460 0.034 0.000 1.168 19 Y HN 0.396 nan 8.280 nan 0.000 0.502 20 V N 4.045 124.046 119.914 0.145 0.000 2.823 20 V HA 0.586 4.707 4.120 0.001 0.000 0.312 20 V C -0.621 175.530 176.094 0.096 0.000 1.072 20 V CA -1.424 60.948 62.300 0.120 0.000 0.937 20 V CB 2.227 34.103 31.823 0.089 0.000 1.013 20 V HN 0.650 nan 8.190 nan 0.000 0.430 21 K N 1.783 122.236 120.400 0.087 0.000 2.535 21 K HA 0.343 4.663 4.320 0.001 0.000 0.251 21 K C -1.039 175.593 176.600 0.054 0.000 0.942 21 K CA -0.508 55.818 56.287 0.064 0.000 0.798 21 K CB 1.597 34.132 32.500 0.059 0.000 1.267 21 K HN 0.749 nan 8.250 nan 0.000 0.434 22 D N 3.029 123.456 120.400 0.045 0.000 2.701 22 D HA -0.196 4.444 4.640 0.001 0.000 0.235 22 D C 0.580 176.908 176.300 0.046 0.000 1.155 22 D CA 1.898 55.921 54.000 0.039 0.000 0.649 22 D CB -1.138 39.678 40.800 0.026 0.000 1.050 22 D HN 1.109 nan 8.370 nan 0.000 0.425 23 G N -0.105 108.731 108.800 0.060 0.000 2.153 23 G HA2 -0.367 3.593 3.960 0.001 0.000 0.252 23 G HA3 -0.367 3.593 3.960 0.001 0.000 0.252 23 G C 0.238 175.197 174.900 0.098 0.000 0.994 23 G CA 0.970 46.114 45.100 0.073 0.000 0.698 23 G HN 0.662 nan 8.290 nan 0.000 0.521 24 K N -0.170 120.288 120.400 0.098 0.000 2.375 24 K HA 0.702 5.022 4.320 0.001 0.000 0.249 24 K C -0.008 176.696 176.600 0.173 0.000 0.942 24 K CA -1.256 55.110 56.287 0.132 0.000 0.806 24 K CB 1.179 33.697 32.500 0.030 0.000 1.227 24 K HN 0.092 nan 8.250 nan 0.000 0.430 25 I N 5.654 126.394 120.570 0.282 0.000 2.371 25 I HA 0.089 4.259 4.170 0.001 0.000 0.290 25 I C 1.070 177.314 176.117 0.211 0.000 1.028 25 I CA -0.161 61.284 61.300 0.241 0.000 1.345 25 I CB 0.988 39.122 38.000 0.224 0.000 1.407 25 I HN 0.676 nan 8.210 nan 0.000 0.501 26 I N 5.397 126.071 120.570 0.174 0.000 2.810 26 I HA 0.082 4.253 4.170 0.001 0.000 0.262 26 I C 0.800 176.991 176.117 0.124 0.000 1.131 26 I CA 0.401 61.778 61.300 0.129 0.000 1.453 26 I CB 0.122 38.185 38.000 0.105 0.000 1.161 26 I HN 0.650 nan 8.210 nan 0.000 0.444 27 R N 0.381 120.981 120.500 0.166 0.000 2.728 27 R HA 0.607 4.948 4.340 0.001 0.000 0.274 27 R C -1.759 174.683 176.300 0.237 0.000 1.032 27 R CA -0.804 55.384 56.100 0.146 0.000 0.866 27 R CB 1.348 31.671 30.300 0.038 0.000 1.263 27 R HN -0.131 nan 8.270 nan 0.000 0.475 28 M N 1.561 121.277 119.600 0.194 0.000 2.395 28 M HA 0.464 4.945 4.480 0.001 0.000 0.307 28 M C -0.906 175.505 176.300 0.185 0.000 1.091 28 M CA -0.781 54.653 55.300 0.223 0.000 0.919 28 M CB 2.698 35.397 32.600 0.166 0.000 1.662 28 M HN 0.958 nan 8.290 nan 0.000 0.440 29 T N 0.167 114.852 114.554 0.219 0.000 2.864 29 T HA 0.749 5.099 4.350 0.001 0.000 0.299 29 T C -3.072 171.663 174.700 0.059 0.000 1.166 29 T CA -1.995 60.194 62.100 0.150 0.000 1.007 29 T CB 2.142 71.141 68.868 0.218 0.000 1.219 29 T HN 0.234 nan 8.240 nan 0.000 0.506 30 P HA 0.356 nan 4.420 nan 0.000 0.273 30 P C -0.686 176.499 177.300 -0.192 0.000 1.250 30 P CA -0.494 62.532 63.100 -0.123 0.000 0.793 30 P CB 0.304 31.953 31.700 -0.086 0.000 1.011 31 M N 1.099 120.452 119.600 -0.411 0.000 2.180 31 M HA 0.278 4.758 4.480 0.001 0.000 0.350 31 M C -0.544 175.537 176.300 -0.364 0.000 1.125 31 M CA -0.145 54.773 55.300 -0.636 0.000 1.031 31 M CB 0.793 32.712 32.600 -1.135 0.000 1.623 31 M HN 0.206 nan 8.290 nan 0.000 0.451 32 D N 2.532 122.904 120.400 -0.048 0.000 2.177 32 D HA 0.400 5.041 4.640 0.001 0.000 0.247 32 D C -0.871 175.502 176.300 0.121 0.000 1.063 32 D CA -0.051 53.903 54.000 -0.077 0.000 0.867 32 D CB 1.054 41.879 40.800 0.043 0.000 1.168 32 D HN 0.342 nan 8.370 nan 0.000 0.445 33 F N 0.811 120.771 119.950 0.016 0.000 2.382 33 F HA 0.146 4.673 4.527 0.001 0.000 0.331 33 F C 1.050 176.908 175.800 0.097 0.000 1.121 33 F CA -0.667 57.372 58.000 0.064 0.000 1.183 33 F CB 0.837 39.819 39.000 -0.029 0.000 1.207 33 F HN 0.201 nan 8.300 nan 0.000 0.555 34 D N 2.225 122.834 120.400 0.349 0.000 2.454 34 D HA 0.085 4.726 4.640 0.001 0.000 0.225 34 D C 0.226 176.606 176.300 0.133 0.000 1.081 34 D CA -0.342 53.778 54.000 0.201 0.000 0.864 34 D CB 0.691 41.600 40.800 0.182 0.000 1.040 34 D HN 0.400 nan 8.370 nan 0.000 0.517 35 D N 2.619 123.085 120.400 0.110 0.000 2.384 35 D HA -0.094 4.547 4.640 0.001 0.000 0.222 35 D C 1.593 177.919 176.300 0.044 0.000 0.976 35 D CA 0.504 54.546 54.000 0.070 0.000 0.915 35 D CB 0.214 41.053 40.800 0.065 0.000 0.896 35 D HN 0.529 nan 8.370 nan 0.000 0.523 36 A N 0.002 122.850 122.820 0.047 0.000 2.021 36 A HA 0.033 4.353 4.320 0.001 0.000 0.216 36 A C 2.034 179.634 177.584 0.026 0.000 1.163 36 A CA 1.160 53.218 52.037 0.034 0.000 0.676 36 A CB 0.159 19.180 19.000 0.035 0.000 0.818 36 A HN 0.235 nan 8.150 nan 0.000 0.453 37 V N -4.625 115.302 119.914 0.021 0.000 3.485 37 V HA 0.270 4.390 4.120 0.001 0.000 0.280 37 V C -0.739 175.332 176.094 -0.039 0.000 1.495 37 V CA -0.268 62.034 62.300 0.003 0.000 1.018 37 V CB 0.098 31.919 31.823 -0.004 0.000 0.818 37 V HN 0.150 nan 8.190 nan 0.000 0.436 38 D N 2.948 123.311 120.400 -0.061 0.000 2.280 38 D HA 0.671 5.312 4.640 0.001 0.000 0.236 38 D C 0.592 176.784 176.300 -0.181 0.000 1.082 38 D CA 0.506 54.393 54.000 -0.189 0.000 0.834 38 D CB 1.941 42.596 40.800 -0.241 0.000 1.100 38 D HN 0.535 nan 8.370 nan 0.000 0.486 39 A N 4.120 126.801 122.820 -0.231 0.000 2.583 39 A HA 0.211 4.532 4.320 0.001 0.000 0.231 39 A C -1.993 175.525 177.584 -0.111 0.000 1.065 39 A CA -0.443 51.501 52.037 -0.154 0.000 0.760 39 A CB -0.455 18.422 19.000 -0.206 0.000 1.001 39 A HN 0.332 nan 8.150 nan 0.000 0.509 40 P HA 0.239 nan 4.420 nan 0.000 0.272 40 P C -0.174 177.154 177.300 0.048 0.000 1.240 40 P CA -0.208 62.900 63.100 0.014 0.000 0.791 40 P CB 0.569 32.282 31.700 0.021 0.000 0.978 41 S N -0.008 115.733 115.700 0.069 0.000 2.693 41 S HA 0.384 4.854 4.470 0.001 0.000 0.276 41 S C -0.139 174.436 174.600 -0.042 0.000 1.192 41 S CA -0.709 57.507 58.200 0.026 0.000 0.994 41 S CB 0.227 63.422 63.200 -0.007 0.000 1.012 41 S HN 0.493 nan 8.310 nan 0.000 0.550 42 W N 0.579 121.905 121.300 0.043 0.000 2.049 42 W HA 0.603 5.264 4.660 0.001 0.000 0.356 42 W C -0.646 175.903 176.519 0.050 0.000 1.323 42 W CA -0.555 56.807 57.345 0.027 0.000 1.336 42 W CB -0.058 29.402 29.460 0.000 0.000 1.176 42 W HN 0.386 nan 8.180 nan 0.000 0.623 43 K N 0.969 121.618 120.400 0.415 0.000 2.477 43 K HA 0.631 4.951 4.320 0.001 0.000 0.255 43 K C -1.166 175.659 176.600 0.376 0.000 0.952 43 K CA -0.971 55.481 56.287 0.276 0.000 0.826 43 K CB 2.727 35.285 32.500 0.096 0.000 1.331 43 K HN 0.379 nan 8.250 nan 0.000 0.437 44 I N 1.993 122.755 120.570 0.319 0.000 2.499 44 I HA 0.209 4.379 4.170 0.001 0.000 0.288 44 I C -0.945 175.264 176.117 0.152 0.000 1.048 44 I CA -0.787 60.663 61.300 0.250 0.000 1.062 44 I CB 2.193 40.379 38.000 0.310 0.000 1.238 44 I HN 0.452 nan 8.210 nan 0.000 0.426 45 E N 4.948 125.199 120.200 0.085 0.000 2.146 45 E HA 0.720 5.071 4.350 0.001 0.000 0.282 45 E C -0.810 175.826 176.600 0.059 0.000 0.989 45 E CA -0.235 56.179 56.400 0.022 0.000 0.799 45 E CB 1.669 31.370 29.700 0.002 0.000 1.088 45 E HN 0.631 nan 8.360 nan 0.000 0.397 46 A N 3.713 126.582 122.820 0.082 0.000 2.465 46 A HA 0.501 4.822 4.320 0.001 0.000 0.292 46 A C -0.656 176.994 177.584 0.110 0.000 1.041 46 A CA -0.848 51.261 52.037 0.119 0.000 0.718 46 A CB 0.808 19.935 19.000 0.211 0.000 1.266 46 A HN 0.724 nan 8.150 nan 0.000 0.403 47 R N 1.449 121.976 120.500 0.045 0.000 3.225 47 R HA -0.213 4.128 4.340 0.001 0.000 0.245 47 R C 1.050 177.357 176.300 0.012 0.000 0.928 47 R CA 1.136 57.258 56.100 0.038 0.000 0.632 47 R CB -1.959 28.384 30.300 0.072 0.000 1.038 47 R HN 2.526 nan 8.270 nan 0.000 0.461 48 G N -0.222 108.565 108.800 -0.022 0.000 2.198 48 G HA2 -0.366 3.595 3.960 0.001 0.000 0.260 48 G HA3 -0.366 3.595 3.960 0.001 0.000 0.260 48 G C -0.084 174.744 174.900 -0.120 0.000 1.025 48 G CA 1.033 46.101 45.100 -0.053 0.000 0.769 48 G HN 0.478 nan 8.290 nan 0.000 0.507 49 K N -0.813 119.465 120.400 -0.203 0.000 2.508 49 K HA 0.604 4.924 4.320 0.001 0.000 0.260 49 K C -0.888 175.340 176.600 -0.620 0.000 0.949 49 K CA -0.755 55.259 56.287 -0.456 0.000 0.834 49 K CB 1.900 33.999 32.500 -0.668 0.000 1.365 49 K HN 0.030 nan 8.250 nan 0.000 0.437 50 T N 2.078 116.228 114.554 -0.673 0.000 2.772 50 T HA 0.463 4.814 4.350 0.001 0.000 0.288 50 T C -0.931 173.313 174.700 -0.761 0.000 0.994 50 T CA -0.463 61.324 62.100 -0.522 0.000 0.951 50 T CB 0.005 68.712 68.868 -0.269 0.000 0.933 50 T HN 0.221 nan 8.240 nan 0.000 0.447 51 F N 1.859 121.604 119.950 -0.341 0.000 2.427 51 F HA 0.603 5.131 4.527 0.001 0.000 0.346 51 F C 0.914 176.488 175.800 -0.378 0.000 1.120 51 F CA -0.716 56.879 58.000 -0.676 0.000 1.033 51 F CB 1.924 40.239 39.000 -1.142 0.000 1.126 51 F HN 0.345 nan 8.300 nan 0.000 0.462 52 T N 4.808 119.268 114.554 -0.156 0.000 2.952 52 T HA 0.453 4.803 4.350 0.001 0.000 0.305 52 T C -2.811 171.874 174.700 -0.026 0.000 1.064 52 T CA -1.863 60.085 62.100 -0.253 0.000 1.008 52 T CB 1.547 70.311 68.868 -0.172 0.000 1.078 52 T HN 0.321 nan 8.240 nan 0.000 0.459 53 P HA 0.391 nan 4.420 nan 0.000 0.272 53 P C -2.777 174.569 177.300 0.076 0.000 1.240 53 P CA -1.316 61.747 63.100 -0.061 0.000 0.791 53 P CB -0.509 31.016 31.700 -0.291 0.000 0.978 54 P HA 0.191 nan 4.420 nan 0.000 0.271 54 P C 0.276 177.593 177.300 0.029 0.000 1.218 54 P CA -0.059 63.073 63.100 0.053 0.000 0.780 54 P CB 0.324 32.026 31.700 0.004 0.000 0.901 55 R N 2.760 123.226 120.500 -0.056 0.000 4.792 55 R HA 0.177 4.517 4.340 0.001 0.000 0.205 55 R C 0.390 176.285 176.300 -0.675 0.000 1.875 55 R CA 0.297 56.303 56.100 -0.157 0.000 1.588 55 R CB -0.572 29.744 30.300 0.026 0.000 1.401 55 R HN 0.489 nan 8.270 nan 0.000 0.834 56 K N -0.176 119.709 120.400 -0.858 0.000 2.642 56 K HA 0.158 4.479 4.320 0.001 0.000 0.290 56 K C -0.735 175.530 176.600 -0.558 0.000 1.006 56 K CA -0.486 55.269 56.287 -0.887 0.000 0.869 56 K CB 1.613 33.877 32.500 -0.393 0.000 1.499 56 K HN 0.118 nan 8.250 nan 0.000 0.403 57 T N -1.459 112.857 114.554 -0.398 0.000 2.893 57 T HA 0.711 5.061 4.350 0.001 0.000 0.279 57 T C -0.152 174.532 174.700 -0.027 0.000 0.991 57 T CA -0.455 61.615 62.100 -0.050 0.000 0.950 57 T CB 1.247 70.059 68.868 -0.093 0.000 1.223 57 T HN 0.643 nan 8.240 nan 0.000 0.585 58 S N -0.370 115.387 115.700 0.094 0.000 2.588 58 S HA 0.769 5.240 4.470 0.001 0.000 0.275 58 S C -0.687 173.945 174.600 0.053 0.000 1.130 58 S CA -1.103 57.148 58.200 0.085 0.000 0.855 58 S CB 1.063 64.366 63.200 0.173 0.000 1.116 58 S HN 1.233 nan 8.310 nan 0.000 0.472 59 I N -1.362 119.232 120.570 0.040 0.000 2.892 59 I HA 0.938 5.108 4.170 0.001 0.000 0.306 59 I C -0.055 176.016 176.117 -0.078 0.000 1.078 59 I CA -1.564 59.701 61.300 -0.059 0.000 1.032 59 I CB 1.593 39.543 38.000 -0.083 0.000 1.229 59 I HN 0.870 nan 8.210 nan 0.000 0.435 60 A N 4.043 126.660 122.820 -0.340 0.000 2.272 60 A HA 0.641 4.961 4.320 0.001 0.000 0.275 60 A C -1.902 175.427 177.584 -0.424 0.000 1.096 60 A CA -1.451 50.231 52.037 -0.592 0.000 0.822 60 A CB -0.272 18.016 19.000 -1.186 0.000 1.088 60 A HN 0.717 nan 8.150 nan 0.000 0.495 61 P HA -0.177 nan 4.420 nan 0.000 0.215 61 P C 0.885 178.141 177.300 -0.073 0.000 1.157 61 P CA 1.974 65.039 63.100 -0.057 0.000 0.868 61 P CB -0.233 31.568 31.700 0.169 0.000 0.788 62 Y N -2.287 118.056 120.300 0.071 0.000 2.497 62 Y HA 0.003 4.553 4.550 0.001 0.000 0.292 62 Y C 1.879 177.870 175.900 0.152 0.000 1.137 62 Y CA 0.996 59.138 58.100 0.069 0.000 1.285 62 Y CB -2.224 36.256 38.460 0.033 0.000 0.991 62 Y HN -0.165 nan 8.280 nan 0.000 0.556 63 T N 0.201 114.773 114.554 0.029 0.000 2.976 63 T HA 0.134 4.485 4.350 0.001 0.000 0.257 63 T C 2.229 176.997 174.700 0.115 0.000 1.051 63 T CA 0.896 63.069 62.100 0.123 0.000 1.141 63 T CB -0.383 68.457 68.868 -0.047 0.000 0.881 63 T HN 0.520 nan 8.240 nan 0.000 0.461 64 A N 1.061 123.904 122.820 0.039 0.000 1.978 64 A HA 0.110 4.431 4.320 0.001 0.000 0.220 64 A C 2.103 179.759 177.584 0.120 0.000 1.170 64 A CA 1.704 53.779 52.037 0.063 0.000 0.636 64 A CB -0.733 18.290 19.000 0.037 0.000 0.810 64 A HN 0.501 nan 8.150 nan 0.000 0.448 65 G N -2.892 105.996 108.800 0.147 0.000 3.690 65 G HA2 0.295 4.256 3.960 0.001 0.000 0.283 65 G HA3 0.295 4.256 3.960 0.001 0.000 0.283 65 G C 0.694 175.633 174.900 0.065 0.000 1.057 65 G CA 0.132 45.343 45.100 0.185 0.000 0.821 65 G HN 0.322 nan 8.290 nan 0.000 0.526 66 F N 1.347 121.273 119.950 -0.041 0.000 2.250 66 F HA -0.004 4.523 4.527 0.001 0.000 0.301 66 F C 2.432 178.094 175.800 -0.231 0.000 1.077 66 F CA 1.547 59.479 58.000 -0.114 0.000 1.348 66 F CB 0.297 39.237 39.000 -0.100 0.000 1.040 66 F HN 0.204 nan 8.300 nan 0.000 0.509 67 K N 0.177 120.487 120.400 -0.150 0.000 2.103 67 K HA -0.217 4.103 4.320 0.001 0.000 0.207 67 K C 2.181 178.577 176.600 -0.341 0.000 1.048 67 K CA 1.736 57.884 56.287 -0.231 0.000 0.930 67 K CB -0.357 32.137 32.500 -0.010 0.000 0.716 67 K HN 0.392 nan 8.250 nan 0.000 0.444 68 S N -0.127 115.262 115.700 -0.518 0.000 2.507 68 S HA -0.101 4.369 4.470 0.001 0.000 0.235 68 S C 1.801 176.131 174.600 -0.451 0.000 0.988 68 S CA 0.851 58.633 58.200 -0.696 0.000 0.944 68 S CB -0.143 62.163 63.200 -1.490 0.000 0.762 68 S HN 0.307 nan 8.310 nan 0.000 0.526 69 M N 0.396 119.677 119.600 -0.531 0.000 2.357 69 M HA 0.257 4.737 4.480 0.001 0.000 0.266 69 M C 1.972 178.185 176.300 -0.144 0.000 1.095 69 M CA 0.852 55.878 55.300 -0.456 0.000 1.156 69 M CB -0.317 31.745 32.600 -0.898 0.000 1.365 69 M HN 0.288 nan 8.290 nan 0.000 0.447 70 I N -0.742 119.577 120.570 -0.419 0.000 2.179 70 I HA -0.276 3.894 4.170 0.001 0.000 0.242 70 I C 1.103 177.039 176.117 -0.302 0.000 1.088 70 I CA 1.446 62.515 61.300 -0.386 0.000 1.357 70 I CB -0.245 37.356 38.000 -0.664 0.000 1.051 70 I HN 0.231 nan 8.210 nan 0.000 0.409 71 Y N 0.752 121.003 120.300 -0.082 0.000 2.596 71 Y HA 0.225 4.775 4.550 0.001 0.000 0.316 71 Y C 1.270 177.149 175.900 -0.036 0.000 1.156 71 Y CA -0.673 57.395 58.100 -0.053 0.000 1.300 71 Y CB -0.691 37.734 38.460 -0.058 0.000 1.130 71 Y HN -0.061 nan 8.280 nan 0.000 0.518 72 S N 1.205 116.973 115.700 0.113 0.000 2.560 72 S HA -0.036 4.434 4.470 0.001 0.000 0.284 72 S C 1.071 175.747 174.600 0.127 0.000 1.327 72 S CA -0.350 57.918 58.200 0.113 0.000 1.055 72 S CB 0.480 63.803 63.200 0.206 0.000 0.868 72 S HN 0.568 nan 8.310 nan 0.000 0.506 73 D N 3.649 124.103 120.400 0.089 0.000 2.349 73 D HA 0.003 4.644 4.640 0.001 0.000 0.224 73 D C 1.003 177.381 176.300 0.129 0.000 1.029 73 D CA 0.430 54.466 54.000 0.060 0.000 0.879 73 D CB -0.206 40.601 40.800 0.012 0.000 0.906 73 D HN 0.502 nan 8.370 nan 0.000 0.528 74 L N -0.550 120.812 121.223 0.232 0.000 2.700 74 L HA 0.267 4.608 4.340 0.001 0.000 0.234 74 L C 0.653 177.782 176.870 0.431 0.000 1.156 74 L CA -0.638 54.434 54.840 0.388 0.000 0.946 74 L CB 0.078 42.318 42.059 0.302 0.000 1.216 74 L HN -0.112 nan 8.230 nan 0.000 0.493 75 R N 1.547 122.223 120.500 0.294 0.000 2.442 75 R HA 0.198 4.538 4.340 0.001 0.000 0.291 75 R C -0.121 176.192 176.300 0.022 0.000 1.069 75 R CA -0.069 56.077 56.100 0.077 0.000 1.022 75 R CB 0.187 30.478 30.300 -0.015 0.000 0.976 75 R HN 0.067 nan 8.270 nan 0.000 0.443 76 I N 9.002 129.532 120.570 -0.068 0.000 2.664 76 I HA 0.001 4.172 4.170 0.001 0.000 0.284 76 I C -1.335 174.661 176.117 -0.201 0.000 1.154 76 I CA -1.223 60.013 61.300 -0.106 0.000 1.402 76 I CB 0.895 38.811 38.000 -0.139 0.000 1.395 76 I HN 0.648 nan 8.210 nan 0.000 0.545 77 P HA -0.065 nan 4.420 nan 0.000 0.217 77 P C -0.877 176.189 177.300 -0.390 0.000 1.151 77 P CA 1.319 64.114 63.100 -0.509 0.000 0.828 77 P CB 0.171 31.307 31.700 -0.940 0.000 0.788 78 Y N -7.172 113.080 120.300 -0.080 0.000 2.779 78 Y HA 0.576 5.126 4.550 0.001 0.000 0.340 78 Y C -3.302 172.425 175.900 -0.288 0.000 1.252 78 Y CA -3.901 54.107 58.100 -0.153 0.000 1.072 78 Y CB -0.848 37.544 38.460 -0.114 0.000 1.343 78 Y HN -0.405 nan 8.280 nan 0.000 0.450 79 P HA 0.253 nan 4.420 nan 0.000 0.265 79 P C -0.837 176.423 177.300 -0.067 0.000 1.193 79 P CA 0.616 63.474 63.100 -0.403 0.000 0.765 79 P CB 0.357 31.616 31.700 -0.734 0.000 0.823 80 M N 2.446 122.015 119.600 -0.053 0.000 2.644 80 M HA 0.505 4.986 4.480 0.001 0.000 0.304 80 M C -0.116 176.266 176.300 0.136 0.000 1.215 80 M CA -0.666 54.684 55.300 0.083 0.000 0.871 80 M CB 2.911 35.534 32.600 0.038 0.000 1.740 80 M HN 0.108 nan 8.290 nan 0.000 0.464 81 K N 1.152 121.701 120.400 0.248 0.000 2.464 81 K HA 0.504 4.824 4.320 0.001 0.000 0.253 81 K C -1.268 175.479 176.600 0.246 0.000 0.933 81 K CA -0.825 55.615 56.287 0.254 0.000 0.801 81 K CB 2.449 35.061 32.500 0.187 0.000 1.271 81 K HN 0.749 nan 8.250 nan 0.000 0.430 82 R N 3.433 124.008 120.500 0.125 0.000 2.351 82 R HA 0.055 4.396 4.340 0.001 0.000 0.318 82 R C 0.425 176.725 176.300 -0.000 0.000 1.055 82 R CA 0.309 56.294 56.100 -0.192 0.000 0.968 82 R CB 0.543 30.743 30.300 -0.167 0.000 0.974 82 R HN 0.683 nan 8.270 nan 0.000 0.439 83 K N 1.376 121.734 120.400 -0.069 0.000 2.074 83 K HA -0.170 4.150 4.320 0.001 0.000 0.209 83 K C 1.594 178.211 176.600 0.029 0.000 1.048 83 K CA 2.135 58.422 56.287 0.001 0.000 0.926 83 K CB -0.005 32.483 32.500 -0.020 0.000 0.713 83 K HN 0.690 nan 8.250 nan 0.000 0.444 84 S N 0.339 116.050 115.700 0.018 0.000 2.607 84 S HA -0.048 4.422 4.470 0.001 0.000 0.224 84 S C 0.304 174.976 174.600 0.121 0.000 0.969 84 S CA -0.184 58.044 58.200 0.047 0.000 0.927 84 S CB -0.380 62.837 63.200 0.028 0.000 0.772 84 S HN 0.224 nan 8.310 nan 0.000 0.533 85 F N 2.984 122.938 119.950 0.006 0.000 2.361 85 F HA 0.541 5.068 4.527 0.001 0.000 0.364 85 F C -0.630 175.201 175.800 0.051 0.000 1.120 85 F CA -1.399 56.631 58.000 0.050 0.000 1.102 85 F CB 0.942 39.998 39.000 0.092 0.000 1.183 85 F HN -0.039 nan 8.300 nan 0.000 0.476 86 D N 8.749 128.793 120.400 -0.594 0.000 2.453 86 D HA 0.374 5.014 4.640 0.001 0.000 0.238 86 D C -2.117 173.732 176.300 -0.753 0.000 1.088 86 D CA -2.589 51.095 54.000 -0.527 0.000 0.854 86 D CB 2.103 42.762 40.800 -0.236 0.000 1.076 86 D HN 0.217 nan 8.370 nan 0.000 0.533 87 P HA -0.069 nan 4.420 nan 0.000 0.217 87 P C -0.115 177.033 177.300 -0.254 0.000 1.148 87 P CA 1.087 63.877 63.100 -0.516 0.000 0.828 87 P CB 0.225 31.773 31.700 -0.254 0.000 0.783 88 N N -1.563 117.017 118.700 -0.201 0.000 2.273 88 N HA 0.306 5.047 4.740 0.001 0.000 0.231 88 N C 0.712 176.163 175.510 -0.098 0.000 1.134 88 N CA -0.018 52.965 53.050 -0.112 0.000 0.856 88 N CB 0.737 39.178 38.487 -0.077 0.000 1.068 88 N HN 0.119 nan 8.380 nan 0.000 0.510 89 G N -0.491 108.231 108.800 -0.130 0.000 2.899 89 G HA2 0.099 4.059 3.960 0.001 0.000 0.137 89 G HA3 0.099 4.059 3.960 0.001 0.000 0.137 89 G C -1.309 173.537 174.900 -0.091 0.000 1.198 89 G CA -0.503 44.543 45.100 -0.089 0.000 1.126 89 G HN -0.072 nan 8.290 nan 0.000 0.589 90 E N 1.244 121.401 120.200 -0.072 0.000 2.265 90 E HA 0.240 4.591 4.350 0.001 0.000 0.272 90 E C 0.891 177.450 176.600 -0.067 0.000 1.067 90 E CA -0.087 56.288 56.400 -0.042 0.000 0.900 90 E CB 1.485 31.176 29.700 -0.016 0.000 1.017 90 E HN 0.431 nan 8.360 nan 0.000 0.431 91 R N 2.118 122.607 120.500 -0.018 0.000 2.276 91 R HA 0.043 4.384 4.340 0.001 0.000 0.196 91 R C -0.131 176.304 176.300 0.226 0.000 0.961 91 R CA -0.234 55.904 56.100 0.063 0.000 1.024 91 R CB 0.084 30.499 30.300 0.192 0.000 0.940 91 R HN 0.447 nan 8.270 nan 0.000 0.480 92 N N 1.149 119.929 118.700 0.132 0.000 2.666 92 N HA -0.127 4.614 4.740 0.001 0.000 0.274 92 N C -2.218 173.391 175.510 0.164 0.000 1.043 92 N CA 0.375 53.501 53.050 0.125 0.000 0.782 92 N CB -0.471 38.075 38.487 0.098 0.000 0.912 92 N HN 0.198 nan 8.380 nan 0.000 0.556 93 P HA -0.189 nan 4.420 nan 0.000 0.216 93 P C 1.737 179.128 177.300 0.152 0.000 1.150 93 P CA 1.157 64.363 63.100 0.178 0.000 0.837 93 P CB 0.142 31.933 31.700 0.153 0.000 0.786 94 Q N -0.010 119.859 119.800 0.115 0.000 2.439 94 Q HA -0.107 4.233 4.340 0.001 0.000 0.211 94 Q C 1.362 177.425 176.000 0.104 0.000 0.978 94 Q CA 1.366 57.231 55.803 0.104 0.000 0.897 94 Q CB -1.168 27.614 28.738 0.072 0.000 0.956 94 Q HN 0.338 nan 8.270 nan 0.000 0.483 95 L N 0.606 121.889 121.223 0.100 0.000 2.667 95 L HA 0.269 4.609 4.340 0.001 0.000 0.232 95 L C 0.568 177.475 176.870 0.062 0.000 1.138 95 L CA -0.325 54.558 54.840 0.070 0.000 0.921 95 L CB 0.239 42.328 42.059 0.050 0.000 1.180 95 L HN -0.019 nan 8.230 nan 0.000 0.487 96 R N 0.534 121.104 120.500 0.118 0.000 2.489 96 R HA 0.244 4.584 4.340 0.001 0.000 0.287 96 R C 1.146 177.521 176.300 0.125 0.000 1.053 96 R CA 0.735 56.910 56.100 0.125 0.000 1.036 96 R CB 0.408 30.848 30.300 0.234 0.000 0.966 96 R HN 0.279 nan 8.270 nan 0.000 0.432 97 G N 1.773 110.507 108.800 -0.110 0.000 2.162 97 G HA2 -0.391 3.570 3.960 0.001 0.000 0.260 97 G HA3 -0.391 3.570 3.960 0.001 0.000 0.260 97 G C 0.947 175.746 174.900 -0.169 0.000 0.976 97 G CA 0.403 45.261 45.100 -0.403 0.000 0.655 97 G HN 0.733 nan 8.290 nan 0.000 0.533 98 A N 0.182 122.959 122.820 -0.072 0.000 1.908 98 A HA 0.241 4.561 4.320 0.001 0.000 0.218 98 A C 2.835 180.390 177.584 -0.048 0.000 1.181 98 A CA 2.416 54.435 52.037 -0.031 0.000 0.627 98 A CB -1.048 17.943 19.000 -0.016 0.000 0.818 98 A HN 1.643 nan 8.150 nan 0.000 0.445 99 G N -0.452 108.307 108.800 -0.069 0.000 2.418 99 G HA2 -0.152 3.809 3.960 0.001 0.000 0.217 99 G HA3 -0.152 3.809 3.960 0.001 0.000 0.217 99 G C 1.435 176.304 174.900 -0.053 0.000 1.158 99 G CA 1.173 46.253 45.100 -0.033 0.000 0.771 99 G HN 0.382 nan 8.290 nan 0.000 0.545 100 L N 1.367 122.511 121.223 -0.132 0.000 2.042 100 L HA -0.019 4.322 4.340 0.001 0.000 0.210 100 L C 2.900 179.706 176.870 -0.105 0.000 1.076 100 L CA 1.901 56.637 54.840 -0.173 0.000 0.749 100 L CB -0.705 41.152 42.059 -0.336 0.000 0.893 100 L HN 0.180 nan 8.230 nan 0.000 0.432 101 S N -0.548 115.115 115.700 -0.061 0.000 2.500 101 S HA -0.127 4.344 4.470 0.001 0.000 0.239 101 S C 1.315 175.912 174.600 -0.006 0.000 0.989 101 S CA 1.144 59.339 58.200 -0.008 0.000 0.951 101 S CB -0.288 62.929 63.200 0.029 0.000 0.759 101 S HN 0.624 nan 8.310 nan 0.000 0.523 102 K N 0.108 120.500 120.400 -0.013 0.000 2.564 102 K HA 0.342 4.663 4.320 0.001 0.000 0.205 102 K C -0.497 176.104 176.600 0.001 0.000 1.053 102 K CA -0.231 56.057 56.287 0.001 0.000 1.072 102 K CB 0.275 32.781 32.500 0.010 0.000 0.822 102 K HN -0.132 nan 8.250 nan 0.000 0.497 103 Q N 1.175 120.964 119.800 -0.019 0.000 2.487 103 Q HA -0.190 4.150 4.340 0.001 0.000 0.279 103 Q C -1.025 174.992 176.000 0.028 0.000 1.228 103 Q CA 1.518 57.312 55.803 -0.016 0.000 0.873 103 Q CB -1.821 26.912 28.738 -0.009 0.000 1.260 103 Q HN 0.611 nan 8.270 nan 0.000 0.471 104 D N -2.269 118.155 120.400 0.039 0.000 2.846 104 D HA 0.267 4.907 4.640 0.001 0.000 0.279 104 D C -2.126 174.251 176.300 0.128 0.000 1.222 104 D CA -1.784 52.279 54.000 0.105 0.000 0.769 104 D CB 0.850 41.705 40.800 0.092 0.000 1.299 104 D HN -0.118 nan 8.370 nan 0.000 0.537 105 P HA -0.124 nan 4.420 nan 0.000 0.214 105 P C 1.296 178.801 177.300 0.342 0.000 1.163 105 P CA 1.235 64.406 63.100 0.118 0.000 0.889 105 P CB 0.058 31.725 31.700 -0.055 0.000 0.790 106 W N 0.585 122.084 121.300 0.331 0.000 2.321 106 W HA -0.196 4.465 4.660 0.001 0.000 0.306 106 W C 2.731 179.339 176.519 0.149 0.000 1.217 106 W CA 1.851 59.275 57.345 0.131 0.000 1.257 106 W CB -1.577 27.859 29.460 -0.040 0.000 1.145 106 W HN 0.004 nan 8.180 nan 0.000 0.509 107 S N -0.618 115.278 115.700 0.327 0.000 2.493 107 S HA -0.205 4.265 4.470 0.001 0.000 0.243 107 S C 1.286 175.946 174.600 0.100 0.000 0.991 107 S CA 1.648 59.955 58.200 0.179 0.000 0.957 107 S CB -0.406 62.864 63.200 0.118 0.000 0.756 107 S HN 0.177 nan 8.310 nan 0.000 0.521 108 D N 0.081 120.529 120.400 0.079 0.000 2.323 108 D HA 0.179 4.819 4.640 0.001 0.000 0.209 108 D C -0.357 175.684 176.300 -0.432 0.000 0.973 108 D CA 0.556 54.428 54.000 -0.212 0.000 0.874 108 D CB 0.074 40.637 40.800 -0.394 0.000 0.930 108 D HN 0.521 nan 8.370 nan 0.000 0.521 109 Y N 0.440 120.791 120.300 0.085 0.000 2.487 109 Y HA 0.363 4.914 4.550 0.001 0.000 0.337 109 Y C 0.605 176.557 175.900 0.086 0.000 1.076 109 Y CA -1.174 56.973 58.100 0.079 0.000 1.115 109 Y CB 1.223 39.719 38.460 0.060 0.000 1.235 109 Y HN -0.224 nan 8.280 nan 0.000 0.468 110 E N 1.042 121.373 120.200 0.218 0.000 2.336 110 E HA 0.532 4.882 4.350 0.001 0.000 0.267 110 E C -1.199 175.478 176.600 0.128 0.000 0.906 110 E CA -1.387 55.093 56.400 0.134 0.000 0.781 110 E CB 2.244 31.985 29.700 0.069 0.000 1.261 110 E HN 0.613 nan 8.360 nan 0.000 0.436 111 R N 2.112 122.629 120.500 0.028 0.000 2.490 111 R HA 0.451 4.792 4.340 0.001 0.000 0.280 111 R C -0.214 176.016 176.300 -0.116 0.000 1.077 111 R CA -0.238 55.790 56.100 -0.119 0.000 1.065 111 R CB 0.453 30.445 30.300 -0.514 0.000 1.003 111 R HN 0.699 nan 8.270 nan 0.000 0.470 112 I N -0.512 119.985 120.570 -0.121 0.000 3.102 112 I HA 0.440 4.610 4.170 0.001 0.000 0.310 112 I C -0.499 175.535 176.117 -0.138 0.000 1.246 112 I CA -1.144 60.099 61.300 -0.096 0.000 0.979 112 I CB 2.279 40.258 38.000 -0.035 0.000 1.267 112 I HN 0.709 nan 8.210 nan 0.000 0.451 113 S N 1.494 117.143 115.700 -0.086 0.000 2.624 113 S HA 0.271 4.742 4.470 0.001 0.000 0.263 113 S C 0.264 174.834 174.600 -0.050 0.000 1.287 113 S CA -0.321 57.849 58.200 -0.051 0.000 0.990 113 S CB 0.793 64.004 63.200 0.017 0.000 0.950 113 S HN 0.879 nan 8.310 nan 0.000 0.561 114 W N 0.430 121.720 121.300 -0.016 0.000 2.388 114 W HA -0.020 4.641 4.660 0.001 0.000 0.294 114 W C 2.246 178.726 176.519 -0.065 0.000 1.212 114 W CA 1.348 58.667 57.345 -0.043 0.000 1.271 114 W CB -0.362 29.067 29.460 -0.051 0.000 1.126 114 W HN 0.889 nan 8.180 nan 0.000 0.535 115 D N 0.118 120.634 120.400 0.193 0.000 2.097 115 D HA -0.258 4.383 4.640 0.001 0.000 0.195 115 D C 1.915 178.254 176.300 0.065 0.000 0.989 115 D CA 1.836 55.895 54.000 0.099 0.000 0.827 115 D CB -0.184 40.660 40.800 0.074 0.000 0.966 115 D HN 0.256 nan 8.370 nan 0.000 0.456 116 E N -0.642 119.589 120.200 0.052 0.000 2.107 116 E HA -0.096 4.255 4.350 0.001 0.000 0.191 116 E C 1.986 178.616 176.600 0.050 0.000 0.982 116 E CA 0.831 57.256 56.400 0.042 0.000 0.809 116 E CB -0.155 29.561 29.700 0.027 0.000 0.756 116 E HN 0.271 nan 8.360 nan 0.000 0.459 117 A N 0.768 123.605 122.820 0.028 0.000 1.865 117 A HA -0.233 4.087 4.320 0.001 0.000 0.217 117 A C 2.509 180.147 177.584 0.091 0.000 1.191 117 A CA 2.636 54.692 52.037 0.031 0.000 0.623 117 A CB -1.441 17.500 19.000 -0.100 0.000 0.826 117 A HN 0.534 nan 8.150 nan 0.000 0.444 118 T N -2.631 111.952 114.554 0.049 0.000 2.867 118 T HA -0.125 4.225 4.350 0.001 0.000 0.268 118 T C 1.343 176.110 174.700 0.113 0.000 1.057 118 T CA 1.585 63.665 62.100 -0.033 0.000 1.136 118 T CB -0.446 68.196 68.868 -0.377 0.000 0.874 118 T HN 0.328 nan 8.240 nan 0.000 0.466 119 D N 1.255 121.705 120.400 0.083 0.000 2.144 119 D HA 0.082 4.723 4.640 0.001 0.000 0.200 119 D C 1.997 178.355 176.300 0.096 0.000 0.978 119 D CA 0.623 54.677 54.000 0.090 0.000 0.833 119 D CB -0.313 40.524 40.800 0.061 0.000 0.961 119 D HN 0.443 nan 8.370 nan 0.000 0.470 120 I N 0.023 120.651 120.570 0.097 0.000 2.252 120 I HA -0.205 3.965 4.170 0.001 0.000 0.245 120 I C 2.253 178.385 176.117 0.026 0.000 1.102 120 I CA 0.530 61.868 61.300 0.064 0.000 1.385 120 I CB -0.041 38.032 38.000 0.122 0.000 1.064 120 I HN -0.092 nan 8.210 nan 0.000 0.414 121 V N 0.272 120.295 119.914 0.182 0.000 2.358 121 V HA -0.208 3.912 4.120 0.001 0.000 0.246 121 V C 2.428 178.639 176.094 0.195 0.000 1.047 121 V CA 1.370 63.816 62.300 0.243 0.000 1.035 121 V CB -0.317 31.707 31.823 0.336 0.000 0.658 121 V HN 0.219 nan 8.190 nan 0.000 0.452 122 V N 0.446 120.526 119.914 0.277 0.000 2.343 122 V HA -0.267 3.854 4.120 0.001 0.000 0.247 122 V C 2.731 178.901 176.094 0.127 0.000 1.051 122 V CA 2.051 64.497 62.300 0.243 0.000 1.036 122 V CB -1.138 30.838 31.823 0.256 0.000 0.654 122 V HN 0.560 nan 8.190 nan 0.000 0.451 123 A N -0.650 122.216 122.820 0.076 0.000 1.940 123 A HA -0.209 4.111 4.320 0.001 0.000 0.219 123 A C 2.223 179.812 177.584 0.008 0.000 1.176 123 A CA 1.700 53.756 52.037 0.032 0.000 0.631 123 A CB -0.383 18.621 19.000 0.007 0.000 0.814 123 A HN 0.521 nan 8.150 nan 0.000 0.446 124 E N -0.030 120.141 120.200 -0.049 0.000 2.047 124 E HA -0.112 4.238 4.350 0.001 0.000 0.191 124 E C 2.040 178.693 176.600 0.087 0.000 0.987 124 E CA 0.971 57.337 56.400 -0.056 0.000 0.799 124 E CB -0.418 29.089 29.700 -0.322 0.000 0.752 124 E HN 0.721 nan 8.360 nan 0.000 0.449 125 I N 1.859 122.505 120.570 0.126 0.000 2.127 125 I HA -0.320 3.850 4.170 0.001 0.000 0.241 125 I C 1.961 178.142 176.117 0.107 0.000 1.075 125 I CA 1.171 62.570 61.300 0.166 0.000 1.334 125 I CB -0.396 37.718 38.000 0.190 0.000 1.040 125 I HN 0.048 nan 8.210 nan 0.000 0.405 126 N N 0.582 119.317 118.700 0.059 0.000 2.188 126 N HA -0.185 4.555 4.740 0.001 0.000 0.184 126 N C 1.843 177.341 175.510 -0.021 0.000 1.018 126 N CA 1.025 54.056 53.050 -0.032 0.000 0.858 126 N CB -0.501 37.964 38.487 -0.037 0.000 0.989 126 N HN 0.344 nan 8.380 nan 0.000 0.426 127 R N 0.970 121.498 120.500 0.046 0.000 2.073 127 R HA 0.005 4.346 4.340 0.001 0.000 0.234 127 R C 2.040 178.400 176.300 0.100 0.000 1.134 127 R CA 1.058 57.202 56.100 0.073 0.000 0.952 127 R CB -0.262 30.081 30.300 0.073 0.000 0.850 127 R HN 0.166 nan 8.270 nan 0.000 0.433 128 I N 0.740 121.403 120.570 0.156 0.000 2.315 128 I HA -0.223 3.947 4.170 0.001 0.000 0.248 128 I C 2.224 178.470 176.117 0.214 0.000 1.117 128 I CA 1.268 62.726 61.300 0.264 0.000 1.404 128 I CB -0.146 38.045 38.000 0.319 0.000 1.071 128 I HN 0.194 nan 8.210 nan 0.000 0.419 129 K N -0.164 120.317 120.400 0.135 0.000 2.057 129 K HA -0.172 4.148 4.320 0.001 0.000 0.207 129 K C 1.943 178.618 176.600 0.125 0.000 1.049 129 K CA 1.394 57.744 56.287 0.106 0.000 0.931 129 K CB -0.237 32.272 32.500 0.016 0.000 0.714 129 K HN 0.482 nan 8.250 nan 0.000 0.440 130 H N -1.095 117.996 119.070 0.035 0.000 2.529 130 H HA 0.063 4.619 4.556 0.001 0.000 0.277 130 H C 1.747 177.024 175.328 -0.084 0.000 0.999 130 H CA 0.376 56.418 56.048 -0.009 0.000 1.256 130 H CB 0.420 30.179 29.762 -0.006 0.000 1.402 130 H HN 0.240 nan 8.280 nan 0.000 0.566 131 A N -0.208 122.579 122.820 -0.055 0.000 1.973 131 A HA 0.015 4.335 4.320 0.001 0.000 0.210 131 A C 1.003 178.235 177.584 -0.586 0.000 1.200 131 A CA 0.526 52.313 52.037 -0.416 0.000 0.707 131 A CB 0.092 18.674 19.000 -0.696 0.000 0.862 131 A HN 0.306 nan 8.150 nan 0.000 0.461 132 Y N -1.336 119.038 120.300 0.123 0.000 2.452 132 Y HA 0.464 5.015 4.550 0.001 0.000 0.262 132 Y C 1.175 177.153 175.900 0.131 0.000 1.089 132 Y CA -0.160 58.011 58.100 0.118 0.000 1.262 132 Y CB 0.406 38.943 38.460 0.127 0.000 1.236 132 Y HN 0.519 nan 8.280 nan 0.000 0.512 133 G N 0.373 109.327 108.800 0.257 0.000 2.515 133 G HA2 -0.102 3.858 3.960 0.001 0.000 0.686 133 G HA3 -0.102 3.858 3.960 0.001 0.000 0.686 133 G C -2.482 172.557 174.900 0.232 0.000 1.274 133 G CA -0.741 44.492 45.100 0.221 0.000 0.874 133 G HN -0.127 nan 8.290 nan 0.000 0.631 134 P HA -0.077 nan 4.420 nan 0.000 0.219 134 P C 2.133 179.558 177.300 0.207 0.000 1.146 134 P CA 2.247 65.461 63.100 0.190 0.000 0.808 134 P CB 0.020 31.811 31.700 0.152 0.000 0.779 135 S N -0.703 115.129 115.700 0.220 0.000 2.474 135 S HA -0.028 4.442 4.470 0.001 0.000 0.235 135 S C 1.916 176.638 174.600 0.202 0.000 0.997 135 S CA 0.851 59.155 58.200 0.174 0.000 0.949 135 S CB -1.186 62.147 63.200 0.222 0.000 0.766 135 S HN 0.118 nan 8.310 nan 0.000 0.517 136 A N 0.957 123.920 122.820 0.238 0.000 2.209 136 A HA 0.391 4.711 4.320 0.001 0.000 0.212 136 A C 0.892 178.612 177.584 0.228 0.000 1.158 136 A CA 0.150 52.319 52.037 0.220 0.000 0.742 136 A CB -0.502 18.657 19.000 0.265 0.000 0.790 136 A HN 0.634 nan 8.150 nan 0.000 0.472 137 I N 1.267 121.993 120.570 0.259 0.000 2.307 137 I HA 0.232 4.402 4.170 0.001 0.000 0.287 137 I C -0.491 175.830 176.117 0.341 0.000 1.054 137 I CA -0.631 60.860 61.300 0.318 0.000 1.218 137 I CB 1.095 39.306 38.000 0.352 0.000 1.398 137 I HN 0.147 nan 8.210 nan 0.000 0.475 138 L N 6.355 127.754 121.223 0.293 0.000 2.371 138 L HA 0.557 4.898 4.340 0.001 0.000 0.272 138 L C 0.014 177.209 176.870 0.542 0.000 1.124 138 L CA 0.751 55.735 54.840 0.240 0.000 0.816 138 L CB 1.433 43.400 42.059 -0.152 0.000 1.129 138 L HN 0.599 nan 8.230 nan 0.000 0.448 139 S N 2.686 118.759 115.700 0.622 0.000 2.537 139 S HA 0.769 5.239 4.470 0.001 0.000 0.271 139 S C -1.066 173.991 174.600 0.761 0.000 1.148 139 S CA -0.199 58.454 58.200 0.755 0.000 0.868 139 S CB 1.408 64.908 63.200 0.500 0.000 1.115 139 S HN 1.003 nan 8.310 nan 0.000 0.461 140 T N 3.885 118.839 114.554 0.666 0.000 3.289 140 T HA 0.569 4.920 4.350 0.001 0.000 0.370 140 T C -2.973 171.869 174.700 0.235 0.000 1.546 140 T CA -0.762 61.616 62.100 0.464 0.000 1.144 140 T CB 1.754 70.833 68.868 0.352 0.000 1.379 140 T HN 0.468 nan 8.240 nan 0.000 0.478 141 P HA 0.664 nan 4.420 nan 0.000 0.333 141 P C -0.427 176.929 177.300 0.092 0.000 1.370 141 P CA -0.235 62.824 63.100 -0.069 0.000 0.851 141 P CB 1.013 32.334 31.700 -0.631 0.000 2.082 142 S N -2.813 112.931 115.700 0.074 0.000 2.776 142 S HA 0.348 4.818 4.470 0.001 0.000 0.292 142 S C 1.333 175.911 174.600 -0.037 0.000 1.187 142 S CA -0.290 57.890 58.200 -0.034 0.000 0.834 142 S CB 0.530 63.723 63.200 -0.010 0.000 1.199 142 S HN 0.248 nan 8.310 nan 0.000 0.514 143 S N 1.056 116.644 115.700 -0.188 0.000 2.359 143 S HA -0.057 4.414 4.470 0.001 0.000 0.223 143 S C 0.526 174.957 174.600 -0.283 0.000 1.039 143 S CA 1.306 59.431 58.200 -0.124 0.000 1.042 143 S CB -0.433 62.684 63.200 -0.137 0.000 0.915 143 S HN 0.621 nan 8.310 nan 0.000 0.439 144 H N -0.395 118.797 119.070 0.203 0.000 2.595 144 H HA 0.552 5.108 4.556 0.001 0.000 0.346 144 H C -0.206 175.253 175.328 0.219 0.000 1.181 144 H CA -0.291 55.938 56.048 0.303 0.000 1.242 144 H CB 1.263 31.244 29.762 0.364 0.000 1.652 144 H HN 0.262 nan 8.280 nan 0.000 0.548 145 H N 1.027 120.176 119.070 0.131 0.000 3.042 145 H HA 0.102 4.659 4.556 0.001 0.000 0.346 145 H C -0.527 174.824 175.328 0.038 0.000 1.294 145 H CA -0.681 55.304 56.048 -0.105 0.000 1.141 145 H CB 1.591 30.930 29.762 -0.704 0.000 1.872 145 H HN 0.396 nan 8.280 nan 0.000 0.541 146 M N 1.740 121.292 119.600 -0.081 0.000 2.245 146 M HA -0.145 4.335 4.480 0.001 0.000 0.335 146 M C 0.810 177.348 176.300 0.396 0.000 1.155 146 M CA 0.643 56.049 55.300 0.177 0.000 1.055 146 M CB -0.335 32.303 32.600 0.064 0.000 1.670 146 M HN 0.432 nan 8.290 nan 0.000 0.447 147 W N 2.145 123.527 121.300 0.137 0.000 2.170 147 W HA 0.343 5.004 4.660 0.001 0.000 0.342 147 W C 0.306 176.926 176.519 0.169 0.000 1.294 147 W CA 0.619 58.056 57.345 0.154 0.000 1.246 147 W CB 0.982 30.467 29.460 0.042 0.000 1.156 147 W HN 0.771 nan 8.180 nan 0.000 0.572 148 G N 3.656 112.358 108.800 -0.164 0.000 2.414 148 G HA2 -0.206 3.755 3.960 0.001 0.000 0.213 148 G HA3 -0.206 3.755 3.960 0.001 0.000 0.213 148 G C -0.125 174.730 174.900 -0.075 0.000 1.444 148 G CA -0.721 44.335 45.100 -0.074 0.000 1.076 148 G HN 0.501 nan 8.290 nan 0.000 0.638 149 N N 0.497 119.078 118.700 -0.199 0.000 2.166 149 N HA -0.093 4.648 4.740 0.001 0.000 0.186 149 N C 2.511 177.942 175.510 -0.132 0.000 1.019 149 N CA 1.540 54.468 53.050 -0.204 0.000 0.856 149 N CB 0.014 38.293 38.487 -0.346 0.000 0.993 149 N HN 0.447 nan 8.380 nan 0.000 0.426 150 V N -0.049 119.755 119.914 -0.184 0.000 2.379 150 V HA -0.036 4.084 4.120 0.001 0.000 0.245 150 V C 2.091 178.214 176.094 0.049 0.000 1.044 150 V CA 1.910 64.163 62.300 -0.078 0.000 1.036 150 V CB -0.922 30.857 31.823 -0.073 0.000 0.664 150 V HN 0.385 nan 8.190 nan 0.000 0.453 151 G N -2.413 106.444 108.800 0.095 0.000 2.985 151 G HA2 -0.050 3.910 3.960 0.001 0.000 0.209 151 G HA3 -0.050 3.910 3.960 0.001 0.000 0.209 151 G C 0.387 175.345 174.900 0.097 0.000 1.165 151 G CA -0.241 44.966 45.100 0.179 0.000 0.776 151 G HN 0.430 nan 8.290 nan 0.000 0.541 152 Y N 1.736 121.951 120.300 -0.141 0.000 2.550 152 Y HA 0.068 4.619 4.550 0.001 0.000 0.343 152 Y C 2.381 178.029 175.900 -0.419 0.000 1.245 152 Y CA -0.054 57.766 58.100 -0.468 0.000 1.462 152 Y CB 0.805 39.099 38.460 -0.277 0.000 1.340 152 Y HN 0.233 nan 8.280 nan 0.000 0.604 153 R N 0.951 120.986 120.500 -0.775 0.000 2.170 153 R HA -0.235 4.106 4.340 0.001 0.000 0.242 153 R C 0.942 176.996 176.300 -0.410 0.000 1.145 153 R CA 2.293 58.043 56.100 -0.582 0.000 0.984 153 R CB -0.751 29.061 30.300 -0.813 0.000 0.869 153 R HN 0.768 nan 8.270 nan 0.000 0.455 154 H N 0.041 119.083 119.070 -0.046 0.000 2.495 154 H HA 0.073 4.629 4.556 0.001 0.000 0.287 154 H C 2.006 177.486 175.328 0.253 0.000 1.033 154 H CA 1.409 57.531 56.048 0.123 0.000 1.307 154 H CB 0.298 30.243 29.762 0.305 0.000 1.401 154 H HN 0.286 nan 8.280 nan 0.000 0.555 155 S N -1.221 114.647 115.700 0.280 0.000 2.440 155 S HA -0.045 4.426 4.470 0.001 0.000 0.194 155 S C 2.114 176.824 174.600 0.183 0.000 0.952 155 S CA 0.859 59.197 58.200 0.229 0.000 0.898 155 S CB -0.370 62.941 63.200 0.185 0.000 0.875 155 S HN 0.339 nan 8.310 nan 0.000 0.581 156 T N 1.148 115.816 114.554 0.190 0.000 2.643 156 T HA -0.065 4.286 4.350 0.001 0.000 0.264 156 T C 1.561 176.430 174.700 0.281 0.000 1.045 156 T CA 1.802 64.088 62.100 0.310 0.000 1.155 156 T CB -0.744 68.381 68.868 0.428 0.000 0.863 156 T HN 0.513 nan 8.240 nan 0.000 0.420 157 Y N 1.044 121.352 120.300 0.014 0.000 2.053 157 Y HA -0.237 4.313 4.550 0.001 0.000 0.277 157 Y C 2.024 177.748 175.900 -0.293 0.000 1.159 157 Y CA 1.448 59.402 58.100 -0.243 0.000 1.125 157 Y CB -0.757 37.332 38.460 -0.619 0.000 0.969 157 Y HN 0.271 nan 8.280 nan 0.000 0.492 158 F N -0.112 119.771 119.950 -0.112 0.000 2.126 158 F HA -0.253 4.275 4.527 0.001 0.000 0.299 158 F C 2.839 178.506 175.800 -0.223 0.000 1.096 158 F CA 1.223 59.085 58.000 -0.231 0.000 1.255 158 F CB -0.370 38.591 39.000 -0.065 0.000 0.997 158 F HN -0.004 nan 8.300 nan 0.000 0.479 159 R N 0.049 120.632 120.500 0.137 0.000 2.103 159 R HA -0.249 4.091 4.340 0.001 0.000 0.242 159 R C 2.212 178.578 176.300 0.109 0.000 1.142 159 R CA 1.991 58.170 56.100 0.131 0.000 0.960 159 R CB -0.568 29.837 30.300 0.175 0.000 0.858 159 R HN 0.322 nan 8.270 nan 0.000 0.439 160 F N 0.572 120.424 119.950 -0.162 0.000 2.094 160 F HA -0.129 4.398 4.527 0.001 0.000 0.291 160 F C 2.129 177.523 175.800 -0.676 0.000 1.109 160 F CA 1.222 58.888 58.000 -0.556 0.000 1.221 160 F CB -0.218 38.017 39.000 -1.276 0.000 1.014 160 F HN -0.079 nan 8.300 nan 0.000 0.473 161 M N 0.846 119.833 119.600 -1.022 0.000 2.144 161 M HA -0.279 4.202 4.480 0.001 0.000 0.260 161 M C 1.738 177.556 176.300 -0.805 0.000 1.067 161 M CA 1.680 56.203 55.300 -1.295 0.000 1.095 161 M CB -1.955 29.499 32.600 -1.911 0.000 1.365 161 M HN 0.379 nan 8.290 nan 0.000 0.406 162 N N -0.402 118.052 118.700 -0.411 0.000 2.309 162 N HA -0.069 4.671 4.740 0.001 0.000 0.182 162 N C 1.520 176.932 175.510 -0.163 0.000 1.018 162 N CA 0.841 53.823 53.050 -0.113 0.000 0.876 162 N CB -0.050 38.379 38.487 -0.095 0.000 0.972 162 N HN 0.379 nan 8.380 nan 0.000 0.434 163 M N -0.471 118.943 119.600 -0.310 0.000 2.502 163 M HA 0.118 4.598 4.480 0.001 0.000 0.243 163 M C 1.714 177.807 176.300 -0.344 0.000 1.130 163 M CA 0.365 55.508 55.300 -0.262 0.000 1.055 163 M CB 0.374 32.844 32.600 -0.217 0.000 1.457 163 M HN 0.236 nan 8.290 nan 0.000 0.488 164 M N -0.413 118.872 119.600 -0.524 0.000 2.755 164 M HA 0.247 4.727 4.480 0.001 0.000 0.247 164 M C 1.147 177.359 176.300 -0.147 0.000 1.275 164 M CA 1.300 56.332 55.300 -0.446 0.000 1.252 164 M CB -0.283 31.804 32.600 -0.854 0.000 1.215 164 M HN 0.158 nan 8.290 nan 0.000 0.527 165 G N -0.408 108.359 108.800 -0.055 0.000 3.310 165 G HA2 0.575 4.535 3.960 0.001 0.000 0.176 165 G HA3 0.575 4.535 3.960 0.001 0.000 0.176 165 G C -0.807 174.283 174.900 0.315 0.000 1.307 165 G CA -0.052 45.175 45.100 0.212 0.000 0.935 165 G HN 0.558 nan 8.290 nan 0.000 0.628 166 F N -3.372 116.557 119.950 -0.035 0.000 2.944 166 F HA 0.570 5.097 4.527 0.001 0.000 0.324 166 F C -1.236 174.593 175.800 0.049 0.000 1.151 166 F CA -1.167 56.847 58.000 0.024 0.000 0.883 166 F CB 1.196 40.195 39.000 -0.002 0.000 1.341 166 F HN 0.396 nan 8.300 nan 0.000 0.456 167 T N 1.985 116.531 114.554 -0.014 0.000 2.743 167 T HA 0.299 4.649 4.350 0.001 0.000 0.292 167 T C -1.488 173.216 174.700 0.008 0.000 0.972 167 T CA -0.201 61.821 62.100 -0.129 0.000 0.967 167 T CB 0.200 69.074 68.868 0.010 0.000 0.926 167 T HN 0.543 nan 8.240 nan 0.000 0.459 168 Y N 2.955 123.060 120.300 -0.325 0.000 2.304 168 Y HA 0.516 5.066 4.550 0.001 0.000 0.328 168 Y C 0.115 176.052 175.900 0.062 0.000 1.123 168 Y CA -1.836 56.267 58.100 0.005 0.000 1.218 168 Y CB 0.694 39.123 38.460 -0.053 0.000 1.207 168 Y HN 0.659 nan 8.280 nan 0.000 0.495 169 A N 5.924 128.565 122.820 -0.298 0.000 2.774 169 A HA 0.196 4.516 4.320 0.001 0.000 0.326 169 A C -0.310 176.887 177.584 -0.645 0.000 1.478 169 A CA -0.633 51.208 52.037 -0.326 0.000 1.099 169 A CB -0.724 18.181 19.000 -0.158 0.000 1.148 169 A HN 0.750 nan 8.150 nan 0.000 0.519 170 D N 1.557 121.693 120.400 -0.441 0.000 2.443 170 D HA 0.040 4.680 4.640 0.001 0.000 0.239 170 D C -0.045 176.183 176.300 -0.120 0.000 1.136 170 D CA 0.576 54.350 54.000 -0.376 0.000 0.879 170 D CB 0.420 41.200 40.800 -0.032 0.000 1.195 170 D HN 0.534 nan 8.370 nan 0.000 0.443 171 H N 2.488 121.456 119.070 -0.170 0.000 2.722 171 H HA 0.101 4.657 4.556 0.001 0.000 0.328 171 H C 0.600 176.060 175.328 0.221 0.000 1.067 171 H CA -0.469 55.569 56.048 -0.016 0.000 1.447 171 H CB 0.260 30.023 29.762 0.003 0.000 1.469 171 H HN 0.381 nan 8.280 nan 0.000 0.544 172 N N 4.261 123.192 118.700 0.385 0.000 2.453 172 N HA 0.018 4.759 4.740 0.001 0.000 0.253 172 N C -2.460 173.369 175.510 0.532 0.000 1.252 172 N CA -1.426 51.871 53.050 0.411 0.000 0.917 172 N CB 0.785 39.463 38.487 0.319 0.000 1.117 172 N HN 0.315 nan 8.380 nan 0.000 0.442 173 P HA 0.040 nan 4.420 nan 0.000 0.226 173 P C -0.087 177.350 177.300 0.228 0.000 1.783 173 P CA -0.213 62.813 63.100 -0.123 0.000 0.980 173 P CB -0.274 30.944 31.700 -0.803 0.000 1.967 174 D N 0.377 120.937 120.400 0.268 0.000 2.204 174 D HA -0.256 4.385 4.640 0.001 0.000 0.189 174 D C 1.469 177.774 176.300 0.009 0.000 1.006 174 D CA 1.845 55.931 54.000 0.144 0.000 0.855 174 D CB -1.406 39.440 40.800 0.076 0.000 0.946 174 D HN 0.125 nan 8.370 nan 0.000 0.448 175 S N -1.001 114.553 115.700 -0.244 0.000 2.400 175 S HA -0.114 4.357 4.470 0.001 0.000 0.232 175 S C 1.504 175.677 174.600 -0.711 0.000 1.025 175 S CA 1.194 58.829 58.200 -0.942 0.000 0.993 175 S CB -0.405 61.609 63.200 -1.978 0.000 0.808 175 S HN 0.478 nan 8.310 nan 0.000 0.478 176 W N 1.100 122.406 121.300 0.010 0.000 3.107 176 W HA 0.221 4.881 4.660 0.001 0.000 0.293 176 W C 1.352 178.072 176.519 0.335 0.000 1.239 176 W CA -0.467 57.059 57.345 0.303 0.000 1.653 176 W CB -0.348 29.229 29.460 0.195 0.000 1.068 176 W HN 0.212 nan 8.180 nan 0.000 0.615 177 E N 0.812 121.284 120.200 0.454 0.000 2.654 177 E HA -0.317 4.034 4.350 0.001 0.000 0.247 177 E C 2.111 179.019 176.600 0.514 0.000 0.985 177 E CA 2.550 59.250 56.400 0.501 0.000 1.260 177 E CB -1.483 28.428 29.700 0.351 0.000 1.214 177 E HN 0.326 nan 8.360 nan 0.000 0.499 178 G N -0.095 108.891 108.800 0.310 0.000 2.476 178 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 178 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 178 G C 1.443 176.348 174.900 0.008 0.000 1.164 178 G CA 1.286 46.438 45.100 0.087 0.000 0.768 178 G HN 0.346 nan 8.290 nan 0.000 0.560 179 W N -0.378 121.045 121.300 0.205 0.000 2.388 179 W HA 0.079 4.739 4.660 0.001 0.000 0.294 179 W C 2.411 178.994 176.519 0.107 0.000 1.212 179 W CA 0.799 58.221 57.345 0.130 0.000 1.271 179 W CB -0.561 29.022 29.460 0.205 0.000 1.126 179 W HN 0.274 nan 8.180 nan 0.000 0.535 180 H N -1.091 118.121 119.070 0.238 0.000 2.276 180 H HA -0.167 4.390 4.556 0.001 0.000 0.301 180 H C 1.204 176.419 175.328 -0.189 0.000 1.073 180 H CA 2.182 58.162 56.048 -0.113 0.000 1.311 180 H CB -0.806 28.770 29.762 -0.311 0.000 1.379 180 H HN 0.218 nan 8.280 nan 0.000 0.494 181 W N 0.252 121.735 121.300 0.304 0.000 3.139 181 W HA 0.221 4.881 4.660 0.001 0.000 0.260 181 W C 2.145 178.800 176.519 0.226 0.000 1.312 181 W CA 0.452 57.947 57.345 0.251 0.000 1.606 181 W CB 0.231 29.863 29.460 0.285 0.000 1.118 181 W HN 0.289 nan 8.180 nan 0.000 0.675 182 G N -0.727 108.252 108.800 0.298 0.000 2.639 182 G HA2 0.129 4.089 3.960 0.001 0.000 0.201 182 G HA3 0.129 4.089 3.960 0.001 0.000 0.201 182 G C 1.599 176.518 174.900 0.031 0.000 1.260 182 G CA 0.334 45.546 45.100 0.186 0.000 0.749 182 G HN 0.138 nan 8.290 nan 0.000 0.611 183 G N 1.021 109.753 108.800 -0.114 0.000 2.469 183 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 183 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 183 G C 1.780 176.686 174.900 0.010 0.000 1.136 183 G CA 1.334 46.311 45.100 -0.206 0.000 0.759 183 G HN 0.350 nan 8.290 nan 0.000 0.562 184 M N -0.115 119.493 119.600 0.014 0.000 2.106 184 M HA -0.144 4.336 4.480 0.001 0.000 0.259 184 M C 2.318 178.537 176.300 -0.134 0.000 1.068 184 M CA 1.464 56.711 55.300 -0.090 0.000 1.100 184 M CB -0.254 32.091 32.600 -0.424 0.000 1.351 184 M HN 0.319 nan 8.290 nan 0.000 0.404 185 H N -1.234 117.841 119.070 0.009 0.000 2.495 185 H HA -0.087 4.470 4.556 0.001 0.000 0.287 185 H C 1.860 177.196 175.328 0.013 0.000 1.033 185 H CA 1.509 57.560 56.048 0.005 0.000 1.307 185 H CB -0.290 29.475 29.762 0.005 0.000 1.401 185 H HN 0.532 nan 8.280 nan 0.000 0.555 186 M N -0.122 119.516 119.600 0.063 0.000 2.466 186 M HA -0.037 4.444 4.480 0.001 0.000 0.265 186 M C 0.704 177.051 176.300 0.079 0.000 1.122 186 M CA 0.890 56.164 55.300 -0.043 0.000 1.157 186 M CB 0.513 32.925 32.600 -0.313 0.000 1.352 186 M HN 0.302 nan 8.290 nan 0.000 0.464 187 W N -0.580 120.671 121.300 -0.081 0.000 1.780 187 W HA 0.596 5.257 4.660 0.001 0.000 0.256 187 W C 0.200 176.659 176.519 -0.100 0.000 0.844 187 W CA -0.280 57.019 57.345 -0.077 0.000 1.227 187 W CB -1.181 28.257 29.460 -0.037 0.000 1.006 187 W HN 0.394 nan 8.180 nan 0.000 0.493 188 G N 2.124 111.025 108.800 0.168 0.000 2.527 188 G HA2 -0.324 3.636 3.960 0.001 0.000 0.262 188 G HA3 -0.324 3.636 3.960 0.001 0.000 0.262 188 G C 0.307 175.021 174.900 -0.311 0.000 1.153 188 G CA 0.687 45.714 45.100 -0.121 0.000 0.954 188 G HN 0.594 nan 8.290 nan 0.000 0.552 189 F N 0.757 120.182 119.950 -0.876 0.000 3.067 189 F HA -0.223 4.305 4.527 0.001 0.000 0.279 189 F C 2.226 177.240 175.800 -1.310 0.000 0.945 189 F CA 1.644 58.648 58.000 -1.661 0.000 0.948 189 F CB -1.734 36.553 39.000 -1.190 0.000 0.898 189 F HN 1.271 nan 8.300 nan 0.000 0.746 190 S N -0.396 114.841 115.700 -0.772 0.000 2.382 190 S HA -0.234 4.236 4.470 0.001 0.000 0.228 190 S C 1.590 176.043 174.600 -0.245 0.000 1.027 190 S CA 1.179 59.154 58.200 -0.376 0.000 0.991 190 S CB -0.802 62.298 63.200 -0.167 0.000 0.823 190 S HN 0.717 nan 8.310 nan 0.000 0.469 191 W N 1.351 122.668 121.300 0.029 0.000 2.721 191 W HA 0.299 4.959 4.660 0.001 0.000 0.245 191 W C 1.695 178.308 176.519 0.155 0.000 1.276 191 W CA 0.043 57.474 57.345 0.144 0.000 1.342 191 W CB -0.278 29.244 29.460 0.104 0.000 1.135 191 W HN 0.108 nan 8.180 nan 0.000 0.654 192 R N 0.643 120.840 120.500 -0.506 0.000 2.543 192 R HA 0.270 4.611 4.340 0.001 0.000 0.323 192 R C 0.582 176.632 176.300 -0.417 0.000 1.002 192 R CA -0.228 55.659 56.100 -0.354 0.000 1.106 192 R CB -0.093 29.927 30.300 -0.467 0.000 1.280 192 R HN 0.171 nan 8.270 nan 0.000 0.549 193 L N 0.240 121.145 121.223 -0.531 0.000 3.843 193 L HA -0.321 4.019 4.340 0.001 0.000 0.411 193 L C 0.803 177.532 176.870 -0.235 0.000 1.205 193 L CA 0.809 55.271 54.840 -0.630 0.000 0.945 193 L CB -1.751 39.454 42.059 -1.423 0.000 1.929 193 L HN 0.668 nan 8.230 nan 0.000 0.934 194 G N -2.319 106.385 108.800 -0.161 0.000 2.232 194 G HA2 -0.244 3.716 3.960 0.001 0.000 0.226 194 G HA3 -0.244 3.716 3.960 0.001 0.000 0.226 194 G C 0.269 175.288 174.900 0.198 0.000 0.996 194 G CA 0.195 45.403 45.100 0.180 0.000 0.626 194 G HN 0.375 nan 8.290 nan 0.000 0.509 195 N N 2.407 121.007 118.700 -0.166 0.000 2.467 195 N HA 0.505 5.245 4.740 0.001 0.000 0.262 195 N C -2.301 172.639 175.510 -0.950 0.000 1.234 195 N CA -1.024 51.699 53.050 -0.544 0.000 0.952 195 N CB 1.291 39.443 38.487 -0.558 0.000 1.158 195 N HN 0.289 nan 8.380 nan 0.000 0.463 196 P HA 0.163 nan 4.420 nan 0.000 0.282 196 P C -0.508 176.237 177.300 -0.925 0.000 1.259 196 P CA -0.444 61.681 63.100 -1.625 0.000 0.826 196 P CB 1.083 32.206 31.700 -0.962 0.000 1.064 197 E N 1.365 121.178 120.200 -0.644 0.000 2.409 197 E HA 0.061 4.411 4.350 0.001 0.000 0.257 197 E C 0.178 176.624 176.600 -0.257 0.000 1.150 197 E CA -0.428 55.844 56.400 -0.213 0.000 0.942 197 E CB 0.183 30.065 29.700 0.304 0.000 0.979 197 E HN 0.314 nan 8.360 nan 0.000 0.447 198 Q N 0.347 119.917 119.800 -0.384 0.000 2.073 198 Q HA 0.078 4.418 4.340 0.001 0.000 0.215 198 Q C -0.900 174.958 176.000 -0.237 0.000 0.776 198 Q CA -0.256 55.389 55.803 -0.263 0.000 1.008 198 Q CB 0.298 28.884 28.738 -0.253 0.000 1.196 198 Q HN 0.548 nan 8.270 nan 0.000 0.458 199 Y N 2.295 122.513 120.300 -0.137 0.000 2.904 199 Y HA -0.156 4.394 4.550 0.001 0.000 0.336 199 Y C 0.953 176.853 175.900 -0.000 0.000 1.263 199 Y CA 0.597 58.617 58.100 -0.132 0.000 1.547 199 Y CB 0.147 38.472 38.460 -0.225 0.000 1.272 199 Y HN 0.139 nan 8.280 nan 0.000 0.596 200 D N 1.434 121.989 120.400 0.259 0.000 2.792 200 D HA -0.251 4.389 4.640 0.001 0.000 0.231 200 D C 0.734 176.962 176.300 -0.121 0.000 1.160 200 D CA 0.845 54.902 54.000 0.095 0.000 0.697 200 D CB -0.956 39.940 40.800 0.159 0.000 1.070 200 D HN 0.655 nan 8.370 nan 0.000 0.426 201 L N -0.655 120.388 121.223 -0.299 0.000 2.341 201 L HA -0.045 4.296 4.340 0.001 0.000 0.214 201 L C 2.389 178.629 176.870 -1.049 0.000 1.115 201 L CA 0.024 54.431 54.840 -0.722 0.000 0.820 201 L CB -0.080 41.314 42.059 -1.109 0.000 0.944 201 L HN 0.140 nan 8.230 nan 0.000 0.452 202 L N 0.655 121.515 121.223 -0.605 0.000 1.970 202 L HA -0.271 4.070 4.340 0.001 0.000 0.212 202 L C 2.458 179.133 176.870 -0.324 0.000 1.071 202 L CA 2.171 56.798 54.840 -0.356 0.000 0.751 202 L CB -0.572 41.422 42.059 -0.108 0.000 0.889 202 L HN 0.315 nan 8.230 nan 0.000 0.432 203 E N -0.974 119.080 120.200 -0.242 0.000 2.085 203 E HA -0.315 4.035 4.350 0.001 0.000 0.194 203 E C 1.927 178.430 176.600 -0.162 0.000 0.994 203 E CA 1.667 57.980 56.400 -0.145 0.000 0.801 203 E CB -0.263 29.385 29.700 -0.088 0.000 0.743 203 E HN 0.663 nan 8.360 nan 0.000 0.453 204 D N -0.773 119.507 120.400 -0.200 0.000 2.123 204 D HA -0.116 4.524 4.640 0.001 0.000 0.196 204 D C 1.893 178.121 176.300 -0.120 0.000 0.992 204 D CA 1.757 55.713 54.000 -0.074 0.000 0.833 204 D CB -0.512 40.255 40.800 -0.055 0.000 0.954 204 D HN 0.303 nan 8.370 nan 0.000 0.455 205 G N 0.075 108.569 108.800 -0.510 0.000 2.402 205 G HA2 -0.179 3.782 3.960 0.001 0.000 0.216 205 G HA3 -0.179 3.782 3.960 0.001 0.000 0.216 205 G C 1.730 176.562 174.900 -0.114 0.000 1.162 205 G CA 0.483 45.278 45.100 -0.508 0.000 0.777 205 G HN 0.332 nan 8.290 nan 0.000 0.539 206 L N -0.192 120.960 121.223 -0.118 0.000 2.131 206 L HA -0.053 4.287 4.340 0.001 0.000 0.210 206 L C 2.914 179.749 176.870 -0.057 0.000 1.092 206 L CA 1.200 55.989 54.840 -0.085 0.000 0.759 206 L CB -0.172 41.779 42.059 -0.179 0.000 0.903 206 L HN 0.196 nan 8.230 nan 0.000 0.435 207 K N -1.503 118.812 120.400 -0.142 0.000 2.137 207 K HA -0.017 4.304 4.320 0.001 0.000 0.202 207 K C 1.713 178.074 176.600 -0.398 0.000 1.052 207 K CA 0.751 56.849 56.287 -0.314 0.000 0.961 207 K CB 0.136 32.308 32.500 -0.547 0.000 0.741 207 K HN 0.385 nan 8.250 nan 0.000 0.452 208 H N -0.827 118.311 119.070 0.114 0.000 2.885 208 H HA 0.273 4.829 4.556 0.001 0.000 0.260 208 H C 0.280 175.752 175.328 0.239 0.000 0.985 208 H CA -0.085 56.059 56.048 0.160 0.000 1.210 208 H CB 0.313 30.172 29.762 0.162 0.000 1.466 208 H HN 0.034 nan 8.280 nan 0.000 0.493 209 A N 1.645 124.701 122.820 0.393 0.000 2.546 209 A HA 0.042 4.363 4.320 0.001 0.000 0.243 209 A C 0.796 178.535 177.584 0.259 0.000 1.063 209 A CA 0.352 52.648 52.037 0.431 0.000 0.757 209 A CB 0.360 19.539 19.000 0.299 0.000 0.991 209 A HN 0.464 nan 8.150 nan 0.000 0.503 210 E N 0.924 121.262 120.200 0.230 0.000 2.441 210 E HA 0.248 4.599 4.350 0.001 0.000 0.212 210 E C 0.006 176.676 176.600 0.117 0.000 0.840 210 E CA 0.189 56.674 56.400 0.142 0.000 1.143 210 E CB 0.599 30.368 29.700 0.115 0.000 1.153 210 E HN 0.797 nan 8.360 nan 0.000 0.539 211 M N 1.125 120.804 119.600 0.133 0.000 2.471 211 M HA 0.418 4.899 4.480 0.001 0.000 0.284 211 M C -2.180 174.145 176.300 0.041 0.000 1.203 211 M CA -0.439 54.906 55.300 0.075 0.000 0.915 211 M CB 2.288 34.889 32.600 0.003 0.000 1.734 211 M HN -0.132 nan 8.290 nan 0.000 0.485 212 I N 3.768 124.324 120.570 -0.024 0.000 2.499 212 I HA 0.439 4.609 4.170 0.001 0.000 0.288 212 I C -1.059 174.730 176.117 -0.547 0.000 1.048 212 I CA -1.028 60.087 61.300 -0.308 0.000 1.062 212 I CB 2.256 39.966 38.000 -0.483 0.000 1.238 212 I HN 0.365 nan 8.210 nan 0.000 0.426 213 V N 6.589 126.110 119.914 -0.655 0.000 2.294 213 V HA 0.289 4.410 4.120 0.001 0.000 0.272 213 V C -0.433 175.340 176.094 -0.537 0.000 1.027 213 V CA -0.386 61.567 62.300 -0.578 0.000 0.823 213 V CB 0.502 31.931 31.823 -0.656 0.000 1.030 213 V HN 0.373 nan 8.190 nan 0.000 0.457 214 F N 4.491 124.146 119.950 -0.491 0.000 2.439 214 F HA 0.284 4.812 4.527 0.001 0.000 0.356 214 F C 0.189 175.950 175.800 -0.065 0.000 1.161 214 F CA -0.194 57.552 58.000 -0.423 0.000 1.151 214 F CB 0.442 38.806 39.000 -1.060 0.000 1.222 214 F HN 0.483 nan 8.300 nan 0.000 0.558 215 W N 3.886 125.282 121.300 0.160 0.000 2.329 215 W HA 0.268 4.928 4.660 0.001 0.000 0.312 215 W C 0.759 177.496 176.519 0.363 0.000 1.054 215 W CA -1.207 56.329 57.345 0.318 0.000 1.245 215 W CB 1.483 31.225 29.460 0.469 0.000 1.255 215 W HN 0.515 nan 8.180 nan 0.000 0.436 216 S N 3.488 119.528 115.700 0.567 0.000 3.581 216 S HA -0.234 4.237 4.470 0.001 0.000 0.354 216 S C -0.209 174.555 174.600 0.273 0.000 1.059 216 S CA 1.432 59.794 58.200 0.270 0.000 1.060 216 S CB -1.182 61.951 63.200 -0.112 0.000 0.908 216 S HN 0.537 nan 8.310 nan 0.000 0.475 217 S N 0.814 116.697 115.700 0.304 0.000 2.605 217 S HA 0.571 5.042 4.470 0.001 0.000 0.308 217 S C -1.218 173.491 174.600 0.180 0.000 1.113 217 S CA -0.446 57.904 58.200 0.249 0.000 1.049 217 S CB 1.627 65.021 63.200 0.324 0.000 1.001 217 S HN 0.419 nan 8.310 nan 0.000 0.480 218 D N 5.429 125.880 120.400 0.085 0.000 2.513 218 D HA 0.409 5.049 4.640 0.001 0.000 0.295 218 D C -1.937 174.345 176.300 -0.030 0.000 1.202 218 D CA -2.038 51.971 54.000 0.014 0.000 0.849 218 D CB 1.341 42.147 40.800 0.011 0.000 1.116 218 D HN 0.222 nan 8.370 nan 0.000 0.502 219 P HA -0.180 nan 4.420 nan 0.000 0.216 219 P C 1.292 178.545 177.300 -0.078 0.000 1.154 219 P CA 1.086 64.130 63.100 -0.093 0.000 0.865 219 P CB 0.478 32.085 31.700 -0.155 0.000 0.789 220 E N -0.843 119.325 120.200 -0.053 0.000 2.038 220 E HA -0.144 4.207 4.350 0.001 0.000 0.195 220 E C 2.061 178.674 176.600 0.022 0.000 1.000 220 E CA 1.601 58.035 56.400 0.056 0.000 0.803 220 E CB -1.441 28.302 29.700 0.073 0.000 0.750 220 E HN 0.264 nan 8.360 nan 0.000 0.448 221 T N 2.245 116.795 114.554 -0.006 0.000 2.643 221 T HA -0.089 4.262 4.350 0.001 0.000 0.264 221 T C 1.621 176.238 174.700 -0.138 0.000 1.045 221 T CA 1.342 63.402 62.100 -0.066 0.000 1.155 221 T CB -0.181 68.691 68.868 0.008 0.000 0.863 221 T HN 0.158 nan 8.240 nan 0.000 0.420 222 N N 0.919 119.555 118.700 -0.106 0.000 2.333 222 N HA -0.049 4.692 4.740 0.001 0.000 0.178 222 N C 1.355 176.790 175.510 -0.124 0.000 1.018 222 N CA 1.170 54.152 53.050 -0.112 0.000 0.882 222 N CB -0.054 38.382 38.487 -0.085 0.000 0.984 222 N HN 0.551 nan 8.380 nan 0.000 0.434 223 S N -1.261 114.359 115.700 -0.133 0.000 3.270 223 S HA -0.234 4.236 4.470 0.001 0.000 0.293 223 S C 1.130 175.668 174.600 -0.103 0.000 1.278 223 S CA 2.041 60.155 58.200 -0.143 0.000 1.038 223 S CB -1.990 61.086 63.200 -0.207 0.000 1.218 223 S HN 0.787 nan 8.310 nan 0.000 0.659 224 G N 1.120 109.880 108.800 -0.066 0.000 5.219 224 G HA2 -0.240 3.720 3.960 0.001 0.000 0.267 224 G HA3 -0.240 3.720 3.960 0.001 0.000 0.267 224 G C 0.063 174.987 174.900 0.040 0.000 1.495 224 G CA 0.106 45.174 45.100 -0.053 0.000 0.988 224 G HN 1.964 nan 8.290 nan 0.000 0.707 225 I N -1.867 118.677 120.570 -0.045 0.000 2.661 225 I HA 0.353 4.524 4.170 0.001 0.000 0.290 225 I C 0.414 176.465 176.117 -0.110 0.000 1.734 225 I CA -0.249 60.949 61.300 -0.169 0.000 1.018 225 I CB 0.520 38.414 38.000 -0.176 0.000 1.532 225 I HN 1.110 nan 8.210 nan 0.000 0.488 226 Y N 3.408 123.733 120.300 0.042 0.000 4.538 226 Y HA -0.313 4.237 4.550 0.001 0.000 0.225 226 Y C 1.022 176.935 175.900 0.022 0.000 1.074 226 Y CA 0.758 58.829 58.100 -0.048 0.000 1.942 226 Y CB -1.711 36.654 38.460 -0.158 0.000 1.618 226 Y HN 0.645 nan 8.280 nan 0.000 0.642 227 A N 0.067 122.940 122.820 0.088 0.000 2.708 227 A HA 0.600 4.921 4.320 0.001 0.000 0.293 227 A C 1.680 179.270 177.584 0.011 0.000 1.303 227 A CA 0.729 52.776 52.037 0.017 0.000 0.949 227 A CB -0.715 18.196 19.000 -0.148 0.000 1.121 227 A HN 1.169 nan 8.150 nan 0.000 0.542 228 G N 0.579 109.351 108.800 -0.047 0.000 2.699 228 G HA2 -0.365 3.595 3.960 0.001 0.000 0.347 228 G HA3 -0.365 3.595 3.960 0.001 0.000 0.347 228 G C 0.255 174.801 174.900 -0.590 0.000 1.225 228 G CA 1.440 46.377 45.100 -0.272 0.000 0.973 228 G HN 0.790 nan 8.290 nan 0.000 0.551 229 F N 1.433 121.378 119.950 -0.009 0.000 2.790 229 F HA 0.382 4.909 4.527 0.001 0.000 0.371 229 F C 1.555 177.330 175.800 -0.042 0.000 1.293 229 F CA -0.065 57.905 58.000 -0.050 0.000 1.205 229 F CB 1.060 40.017 39.000 -0.073 0.000 1.047 229 F HN 0.244 nan 8.300 nan 0.000 0.510 230 E N 0.271 120.518 120.200 0.078 0.000 2.118 230 E HA -0.182 4.169 4.350 0.001 0.000 0.195 230 E C 2.152 178.757 176.600 0.010 0.000 0.992 230 E CA 1.743 58.173 56.400 0.050 0.000 0.804 230 E CB -0.149 29.539 29.700 -0.021 0.000 0.741 230 E HN 0.418 nan 8.360 nan 0.000 0.458 231 S N 0.723 116.412 115.700 -0.018 0.000 2.603 231 S HA -0.017 4.453 4.470 0.001 0.000 0.220 231 S C 1.535 176.078 174.600 -0.094 0.000 0.967 231 S CA 0.223 58.390 58.200 -0.056 0.000 0.920 231 S CB -0.144 63.011 63.200 -0.074 0.000 0.773 231 S HN 0.160 nan 8.310 nan 0.000 0.529 232 N N 2.254 120.919 118.700 -0.059 0.000 2.104 232 N HA -0.128 4.613 4.740 0.001 0.000 0.190 232 N C 1.636 177.034 175.510 -0.186 0.000 1.024 232 N CA 1.682 54.680 53.050 -0.088 0.000 0.853 232 N CB -0.344 38.113 38.487 -0.049 0.000 1.008 232 N HN 0.611 nan 8.380 nan 0.000 0.424 233 I N 0.780 121.173 120.570 -0.294 0.000 2.676 233 I HA -0.150 4.020 4.170 0.001 0.000 0.259 233 I C 2.177 177.731 176.117 -0.939 0.000 1.194 233 I CA 0.558 61.521 61.300 -0.561 0.000 1.473 233 I CB -0.000 37.628 38.000 -0.619 0.000 1.096 233 I HN 0.143 nan 8.210 nan 0.000 0.443 234 R N 0.172 120.293 120.500 -0.632 0.000 2.075 234 R HA -0.088 4.252 4.340 0.001 0.000 0.232 234 R C 2.342 178.607 176.300 -0.059 0.000 1.126 234 R CA 1.094 56.984 56.100 -0.350 0.000 0.963 234 R CB -0.321 29.948 30.300 -0.052 0.000 0.858 234 R HN 0.310 nan 8.270 nan 0.000 0.435 235 R N 0.331 120.797 120.500 -0.057 0.000 2.115 235 R HA -0.126 4.214 4.340 0.001 0.000 0.230 235 R C 2.292 178.725 176.300 0.221 0.000 1.111 235 R CA 1.106 57.278 56.100 0.119 0.000 0.976 235 R CB -0.051 30.248 30.300 -0.002 0.000 0.870 235 R HN 0.103 nan 8.270 nan 0.000 0.445 236 Q N 0.118 119.937 119.800 0.031 0.000 2.020 236 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 236 Q C 1.532 177.648 176.000 0.194 0.000 0.982 236 Q CA 1.710 57.549 55.803 0.060 0.000 0.838 236 Q CB -0.211 28.487 28.738 -0.067 0.000 0.899 236 Q HN 0.282 nan 8.270 nan 0.000 0.423 237 W N 0.497 121.855 121.300 0.096 0.000 2.318 237 W HA -0.180 4.480 4.660 0.001 0.000 0.313 237 W C 2.082 178.616 176.519 0.025 0.000 1.221 237 W CA 0.887 58.265 57.345 0.054 0.000 1.266 237 W CB -1.247 28.091 29.460 -0.204 0.000 1.150 237 W HN 0.257 nan 8.180 nan 0.000 0.496 238 L N 0.212 121.612 121.223 0.294 0.000 1.989 238 L HA -0.264 4.076 4.340 0.001 0.000 0.211 238 L C 2.598 179.536 176.870 0.114 0.000 1.071 238 L CA 2.001 56.980 54.840 0.232 0.000 0.749 238 L CB -1.068 41.219 42.059 0.381 0.000 0.890 238 L HN -0.058 nan 8.230 nan 0.000 0.431 239 K N 0.095 120.537 120.400 0.070 0.000 2.074 239 K HA -0.229 4.091 4.320 0.001 0.000 0.209 239 K C 1.487 178.070 176.600 -0.029 0.000 1.048 239 K CA 2.000 58.191 56.287 -0.159 0.000 0.926 239 K CB -0.064 32.388 32.500 -0.079 0.000 0.713 239 K HN 0.284 nan 8.250 nan 0.000 0.444 240 D N 0.474 120.929 120.400 0.093 0.000 2.371 240 D HA -0.070 4.570 4.640 0.001 0.000 0.221 240 D C 1.460 177.832 176.300 0.120 0.000 0.986 240 D CA 0.648 54.718 54.000 0.118 0.000 0.899 240 D CB 0.192 41.109 40.800 0.195 0.000 0.902 240 D HN 0.307 nan 8.370 nan 0.000 0.530 241 L N -0.756 120.539 121.223 0.119 0.000 2.567 241 L HA 0.193 4.534 4.340 0.001 0.000 0.225 241 L C 1.315 178.223 176.870 0.062 0.000 1.119 241 L CA 0.281 55.190 54.840 0.115 0.000 0.871 241 L CB 0.279 42.420 42.059 0.137 0.000 1.036 241 L HN 0.094 nan 8.230 nan 0.000 0.459 242 G N 0.261 109.071 108.800 0.016 0.000 2.131 242 G HA2 -0.219 3.742 3.960 0.001 0.000 0.223 242 G HA3 -0.219 3.742 3.960 0.001 0.000 0.223 242 G C 0.093 174.971 174.900 -0.037 0.000 0.990 242 G CA -0.125 44.967 45.100 -0.013 0.000 0.671 242 G HN 0.051 nan 8.290 nan 0.000 0.521 243 V N 1.429 121.303 119.914 -0.066 0.000 2.555 243 V HA 0.335 4.455 4.120 0.001 0.000 0.286 243 V C 0.368 176.329 176.094 -0.221 0.000 1.044 243 V CA -0.510 61.761 62.300 -0.047 0.000 1.026 243 V CB 1.270 33.140 31.823 0.079 0.000 0.981 243 V HN 0.277 nan 8.190 nan 0.000 0.480 244 D N 4.096 124.457 120.400 -0.065 0.000 2.302 244 D HA 0.364 5.004 4.640 0.001 0.000 0.248 244 D C -0.431 175.974 176.300 0.175 0.000 1.094 244 D CA 0.279 54.252 54.000 -0.045 0.000 0.897 244 D CB 0.895 41.711 40.800 0.026 0.000 1.200 244 D HN 0.395 nan 8.370 nan 0.000 0.429 245 F N 1.140 121.164 119.950 0.123 0.000 2.402 245 F HA 0.357 4.884 4.527 0.001 0.000 0.355 245 F C 0.009 175.916 175.800 0.178 0.000 1.123 245 F CA -1.043 57.076 58.000 0.199 0.000 1.021 245 F CB 1.534 40.793 39.000 0.433 0.000 1.160 245 F HN -0.146 nan 8.300 nan 0.000 0.451 246 V N 4.582 124.588 119.914 0.154 0.000 2.448 246 V HA 0.389 4.509 4.120 0.001 0.000 0.295 246 V C -0.705 175.326 176.094 -0.106 0.000 1.025 246 V CA -0.793 61.522 62.300 0.025 0.000 0.859 246 V CB 1.730 33.435 31.823 -0.198 0.000 0.988 246 V HN 0.431 nan 8.190 nan 0.000 0.431 247 F N 4.752 124.706 119.950 0.007 0.000 2.458 247 F HA 0.632 5.160 4.527 0.001 0.000 0.336 247 F C 0.140 175.939 175.800 -0.000 0.000 1.114 247 F CA -0.878 57.165 58.000 0.072 0.000 0.987 247 F CB 1.593 40.661 39.000 0.114 0.000 1.130 247 F HN 0.227 nan 8.300 nan 0.000 0.458 248 I N 3.580 124.172 120.570 0.037 0.000 2.390 248 I HA 0.344 4.515 4.170 0.001 0.000 0.283 248 I C -1.123 175.069 176.117 0.126 0.000 1.016 248 I CA -0.262 60.970 61.300 -0.114 0.000 1.151 248 I CB 1.239 38.761 38.000 -0.796 0.000 1.293 248 I HN 0.462 nan 8.210 nan 0.000 0.458 249 D N 8.130 128.708 120.400 0.296 0.000 2.871 249 D HA 0.231 4.872 4.640 0.001 0.000 0.209 249 D C -2.349 174.207 176.300 0.427 0.000 1.292 249 D CA -1.559 52.647 54.000 0.343 0.000 0.869 249 D CB 3.158 44.158 40.800 0.333 0.000 1.663 249 D HN 0.011 nan 8.370 nan 0.000 0.557 250 P HA -0.121 nan 4.420 nan 0.000 0.217 250 P C -0.048 177.533 177.300 0.467 0.000 1.151 250 P CA 1.216 64.480 63.100 0.273 0.000 0.849 250 P CB -0.008 31.805 31.700 0.188 0.000 0.787 251 H N -0.955 118.298 119.070 0.304 0.000 2.459 251 H HA 0.347 4.903 4.556 0.001 0.000 0.332 251 H C -0.256 175.029 175.328 -0.071 0.000 1.094 251 H CA -1.172 54.952 56.048 0.126 0.000 1.224 251 H CB 0.667 30.395 29.762 -0.057 0.000 1.449 251 H HN -0.159 nan 8.280 nan 0.000 0.484 252 M N 6.272 125.404 119.600 -0.781 0.000 2.922 252 M HA -0.027 4.453 4.480 0.001 0.000 0.294 252 M C -0.372 175.081 176.300 -1.411 0.000 1.556 252 M CA -0.336 53.997 55.300 -1.612 0.000 1.568 252 M CB -0.792 30.566 32.600 -2.069 0.000 1.462 252 M HN 0.673 nan 8.290 nan 0.000 0.489 253 N N 1.847 119.872 118.700 -1.124 0.000 2.260 253 N HA -0.075 4.665 4.740 0.001 0.000 0.230 253 N C 0.586 175.594 175.510 -0.836 0.000 1.323 253 N CA 0.237 52.678 53.050 -1.016 0.000 0.897 253 N CB 0.286 38.504 38.487 -0.450 0.000 1.146 253 N HN 0.448 nan 8.380 nan 0.000 0.460 254 H N -1.069 117.786 119.070 -0.359 0.000 2.456 254 H HA -0.066 4.490 4.556 0.001 0.000 0.296 254 H C 1.177 176.309 175.328 -0.327 0.000 1.079 254 H CA 1.854 57.730 56.048 -0.286 0.000 1.322 254 H CB -0.513 29.151 29.762 -0.163 0.000 1.388 254 H HN 0.641 nan 8.280 nan 0.000 0.538 255 T N 0.681 115.064 114.554 -0.285 0.000 2.851 255 T HA 0.023 4.374 4.350 0.001 0.000 0.262 255 T C 2.386 176.623 174.700 -0.771 0.000 1.043 255 T CA 0.949 62.827 62.100 -0.370 0.000 1.140 255 T CB -0.238 68.473 68.868 -0.263 0.000 0.872 255 T HN 0.436 nan 8.240 nan 0.000 0.446 256 A N 2.158 124.281 122.820 -1.161 0.000 1.902 256 A HA -0.117 4.203 4.320 0.001 0.000 0.217 256 A C 2.337 179.427 177.584 -0.823 0.000 1.181 256 A CA 1.248 52.345 52.037 -1.567 0.000 0.623 256 A CB -0.489 17.741 19.000 -1.283 0.000 0.818 256 A HN 0.401 nan 8.150 nan 0.000 0.443 257 R N -1.324 118.801 120.500 -0.624 0.000 2.193 257 R HA -0.083 4.258 4.340 0.001 0.000 0.229 257 R C 1.923 178.056 176.300 -0.279 0.000 1.110 257 R CA 1.329 57.184 56.100 -0.410 0.000 0.988 257 R CB -0.372 29.737 30.300 -0.317 0.000 0.871 257 R HN 0.512 nan 8.270 nan 0.000 0.458 258 L N -0.166 120.887 121.223 -0.283 0.000 2.200 258 L HA -0.012 4.329 4.340 0.001 0.000 0.200 258 L C 1.437 178.236 176.870 -0.118 0.000 1.072 258 L CA 1.096 55.831 54.840 -0.175 0.000 0.787 258 L CB 0.596 42.564 42.059 -0.151 0.000 0.957 258 L HN 0.012 nan 8.230 nan 0.000 0.459 259 V N -3.167 116.674 119.914 -0.123 0.000 3.111 259 V HA 0.638 4.758 4.120 0.001 0.000 0.343 259 V C 0.533 176.758 176.094 0.218 0.000 1.417 259 V CA -0.253 62.103 62.300 0.094 0.000 1.142 259 V CB -0.646 31.371 31.823 0.325 0.000 1.114 259 V HN 0.217 nan 8.190 nan 0.000 0.520 260 A N 0.286 123.079 122.820 -0.045 0.000 2.440 260 A HA 0.473 4.794 4.320 0.001 0.000 0.251 260 A C 0.831 178.524 177.584 0.182 0.000 1.089 260 A CA 0.328 52.439 52.037 0.122 0.000 0.779 260 A CB 0.234 19.120 19.000 -0.190 0.000 1.022 260 A HN 0.439 nan 8.150 nan 0.000 0.492 261 D N -0.127 120.436 120.400 0.272 0.000 2.355 261 D HA 0.136 4.776 4.640 0.001 0.000 0.206 261 D C 0.093 176.491 176.300 0.163 0.000 1.010 261 D CA 1.020 55.117 54.000 0.162 0.000 0.875 261 D CB 0.467 41.345 40.800 0.131 0.000 0.966 261 D HN 0.470 nan 8.370 nan 0.000 0.512 262 K N -0.253 120.277 120.400 0.216 0.000 2.572 262 K HA 0.268 4.589 4.320 0.001 0.000 0.263 262 K C -2.395 174.368 176.600 0.272 0.000 0.932 262 K CA -0.686 55.723 56.287 0.204 0.000 0.838 262 K CB 1.479 34.053 32.500 0.124 0.000 1.366 262 K HN -0.107 nan 8.250 nan 0.000 0.425 263 W N 6.371 127.730 121.300 0.098 0.000 2.739 263 W HA 0.679 5.339 4.660 0.001 0.000 0.331 263 W C -1.868 174.836 176.519 0.308 0.000 1.049 263 W CA -0.958 56.451 57.345 0.106 0.000 1.234 263 W CB 0.970 30.451 29.460 0.036 0.000 1.404 263 W HN 0.307 nan 8.180 nan 0.000 0.477 264 F N 4.002 123.701 119.950 -0.419 0.000 2.480 264 F HA 0.453 4.981 4.527 0.001 0.000 0.329 264 F C 0.328 175.630 175.800 -0.830 0.000 1.091 264 F CA -1.832 55.824 58.000 -0.574 0.000 0.972 264 F CB 1.924 40.745 39.000 -0.298 0.000 1.150 264 F HN 0.295 nan 8.300 nan 0.000 0.467 265 S N 5.580 120.908 115.700 -0.620 0.000 2.150 265 S HA 0.411 4.881 4.470 0.001 0.000 0.171 265 S C -2.764 171.736 174.600 -0.168 0.000 1.620 265 S CA -1.481 56.480 58.200 -0.399 0.000 1.190 265 S CB 0.031 62.892 63.200 -0.566 0.000 1.102 265 S HN 0.270 nan 8.310 nan 0.000 0.464 266 P HA 0.193 nan 4.420 nan 0.000 0.272 266 P C -0.479 176.819 177.300 -0.004 0.000 1.223 266 P CA -0.399 62.689 63.100 -0.020 0.000 0.784 266 P CB 0.724 32.471 31.700 0.079 0.000 0.923 267 K N 1.612 121.993 120.400 -0.030 0.000 2.276 267 K HA 0.162 4.483 4.320 0.001 0.000 0.259 267 K C 0.834 177.415 176.600 -0.032 0.000 1.001 267 K CA -0.439 55.828 56.287 -0.032 0.000 0.927 267 K CB -0.000 32.467 32.500 -0.054 0.000 0.969 267 K HN 0.492 nan 8.250 nan 0.000 0.490 268 I N -1.467 119.075 120.570 -0.047 0.000 2.815 268 I HA 0.060 4.231 4.170 0.001 0.000 0.291 268 I C 0.982 176.972 176.117 -0.211 0.000 1.209 268 I CA 0.330 61.572 61.300 -0.096 0.000 1.431 268 I CB -0.117 37.836 38.000 -0.078 0.000 1.351 268 I HN 0.836 nan 8.210 nan 0.000 0.585 269 G N 3.441 111.924 108.800 -0.528 0.000 2.203 269 G HA2 -0.301 3.660 3.960 0.001 0.000 0.263 269 G HA3 -0.301 3.660 3.960 0.001 0.000 0.263 269 G C 0.539 175.205 174.900 -0.389 0.000 1.012 269 G CA 0.659 45.154 45.100 -1.007 0.000 0.749 269 G HN 1.338 nan 8.290 nan 0.000 0.512 270 T N -3.958 110.530 114.554 -0.109 0.000 3.091 270 T HA 0.274 4.624 4.350 0.001 0.000 0.277 270 T C 1.264 176.215 174.700 0.420 0.000 0.996 270 T CA 0.812 63.033 62.100 0.203 0.000 0.897 270 T CB 0.355 69.265 68.868 0.070 0.000 1.109 270 T HN 0.185 nan 8.240 nan 0.000 0.534 271 D N 2.555 123.302 120.400 0.578 0.000 2.123 271 D HA -0.189 4.452 4.640 0.001 0.000 0.196 271 D C 1.933 178.754 176.300 0.869 0.000 0.992 271 D CA 1.767 56.244 54.000 0.796 0.000 0.833 271 D CB -0.209 41.084 40.800 0.822 0.000 0.954 271 D HN 0.706 nan 8.370 nan 0.000 0.455 272 H N 0.672 120.136 119.070 0.657 0.000 2.543 272 H HA 0.131 4.687 4.556 0.001 0.000 0.286 272 H C 1.748 177.543 175.328 0.778 0.000 1.037 272 H CA 0.940 57.360 56.048 0.620 0.000 1.250 272 H CB -0.618 29.530 29.762 0.643 0.000 1.373 272 H HN 0.076 nan 8.280 nan 0.000 0.580 273 A N 2.168 125.295 122.820 0.512 0.000 1.872 273 A HA 0.035 4.356 4.320 0.001 0.000 0.214 273 A C 2.724 180.509 177.584 0.335 0.000 1.187 273 A CA 0.924 53.075 52.037 0.190 0.000 0.614 273 A CB -0.616 18.155 19.000 -0.382 0.000 0.826 273 A HN 0.327 nan 8.150 nan 0.000 0.442 274 L N 0.671 122.121 121.223 0.378 0.000 2.046 274 L HA -0.182 4.159 4.340 0.001 0.000 0.208 274 L C 3.018 180.164 176.870 0.460 0.000 1.077 274 L CA 1.941 57.021 54.840 0.401 0.000 0.747 274 L CB -1.100 41.255 42.059 0.493 0.000 0.896 274 L HN 0.630 nan 8.230 nan 0.000 0.432 275 S N -0.277 115.744 115.700 0.534 0.000 2.399 275 S HA -0.181 4.289 4.470 0.001 0.000 0.231 275 S C 1.916 176.574 174.600 0.097 0.000 1.022 275 S CA 1.020 59.370 58.200 0.249 0.000 0.983 275 S CB -0.835 62.364 63.200 -0.001 0.000 0.803 275 S HN 0.312 nan 8.310 nan 0.000 0.480 276 F N 2.130 122.246 119.950 0.277 0.000 2.206 276 F HA 0.165 4.693 4.527 0.001 0.000 0.298 276 F C 2.867 178.705 175.800 0.064 0.000 1.090 276 F CA 0.712 58.811 58.000 0.164 0.000 1.323 276 F CB -0.450 38.642 39.000 0.154 0.000 1.028 276 F HN 0.315 nan 8.300 nan 0.000 0.492 277 A N 0.135 123.143 122.820 0.312 0.000 1.969 277 A HA -0.111 4.210 4.320 0.001 0.000 0.218 277 A C 2.127 179.754 177.584 0.072 0.000 1.169 277 A CA 1.263 53.413 52.037 0.189 0.000 0.635 277 A CB -0.912 18.201 19.000 0.188 0.000 0.810 277 A HN 0.413 nan 8.150 nan 0.000 0.445 278 I N -0.493 120.040 120.570 -0.062 0.000 2.286 278 I HA -0.218 3.953 4.170 0.001 0.000 0.245 278 I C 2.920 178.542 176.117 -0.825 0.000 1.104 278 I CA 0.961 61.993 61.300 -0.447 0.000 1.397 278 I CB -0.285 37.398 38.000 -0.528 0.000 1.072 278 I HN 0.353 nan 8.210 nan 0.000 0.417 279 A N 0.176 122.723 122.820 -0.455 0.000 1.898 279 A HA -0.264 4.056 4.320 0.001 0.000 0.216 279 A C 2.277 179.827 177.584 -0.057 0.000 1.181 279 A CA 1.245 53.154 52.037 -0.213 0.000 0.620 279 A CB -0.980 18.107 19.000 0.144 0.000 0.819 279 A HN 0.492 nan 8.150 nan 0.000 0.442 280 Y N 1.486 121.703 120.300 -0.139 0.000 2.114 280 Y HA -0.250 4.300 4.550 0.001 0.000 0.282 280 Y C 2.635 178.507 175.900 -0.047 0.000 1.165 280 Y CA 2.501 60.532 58.100 -0.116 0.000 1.148 280 Y CB -0.791 37.593 38.460 -0.126 0.000 0.972 280 Y HN 0.316 nan 8.280 nan 0.000 0.504 281 T N -0.071 114.496 114.554 0.020 0.000 2.684 281 T HA -0.234 4.116 4.350 0.001 0.000 0.267 281 T C 1.461 176.240 174.700 0.132 0.000 1.036 281 T CA 1.779 63.896 62.100 0.028 0.000 1.148 281 T CB -0.593 68.309 68.868 0.058 0.000 0.863 281 T HN 0.487 nan 8.240 nan 0.000 0.436 282 W N 1.364 122.677 121.300 0.023 0.000 2.363 282 W HA 0.106 4.767 4.660 0.001 0.000 0.296 282 W C 2.095 178.679 176.519 0.107 0.000 1.212 282 W CA 0.056 57.445 57.345 0.073 0.000 1.260 282 W CB -1.431 28.054 29.460 0.043 0.000 1.131 282 W HN 0.289 nan 8.180 nan 0.000 0.530 283 L N 0.131 121.472 121.223 0.197 0.000 2.027 283 L HA -0.184 4.157 4.340 0.001 0.000 0.206 283 L C 2.579 179.466 176.870 0.029 0.000 1.074 283 L CA 1.150 56.062 54.840 0.120 0.000 0.745 283 L CB -0.830 41.191 42.059 -0.062 0.000 0.898 283 L HN -0.216 nan 8.230 nan 0.000 0.433 284 K N 0.399 120.707 120.400 -0.154 0.000 2.211 284 K HA -0.125 4.195 4.320 0.001 0.000 0.203 284 K C 1.473 178.058 176.600 -0.025 0.000 1.050 284 K CA 1.246 57.427 56.287 -0.177 0.000 0.945 284 K CB -0.035 32.255 32.500 -0.350 0.000 0.732 284 K HN 0.460 nan 8.250 nan 0.000 0.451 285 E N 0.031 120.267 120.200 0.060 0.000 2.501 285 E HA 0.007 4.357 4.350 0.001 0.000 0.201 285 E C -0.738 175.929 176.600 0.112 0.000 1.016 285 E CA -0.131 56.325 56.400 0.093 0.000 0.920 285 E CB 0.380 30.157 29.700 0.128 0.000 1.023 285 E HN 0.137 nan 8.360 nan 0.000 0.474 286 D N 0.604 121.098 120.400 0.158 0.000 2.983 286 D HA -0.152 4.488 4.640 0.001 0.000 0.225 286 D C -0.300 176.046 176.300 0.078 0.000 1.174 286 D CA 1.271 55.345 54.000 0.124 0.000 0.831 286 D CB -1.164 39.648 40.800 0.020 0.000 1.104 286 D HN 0.221 nan 8.370 nan 0.000 0.421 287 S N 0.004 115.817 115.700 0.188 0.000 3.965 287 S HA 0.464 4.935 4.470 0.001 0.000 0.195 287 S C -0.149 174.410 174.600 -0.069 0.000 1.449 287 S CA -0.688 57.538 58.200 0.044 0.000 0.965 287 S CB -0.413 62.829 63.200 0.070 0.000 1.459 287 S HN 0.455 nan 8.310 nan 0.000 0.476 288 Y N -2.260 117.910 120.300 -0.216 0.000 2.725 288 Y HA 0.598 5.149 4.550 0.001 0.000 0.333 288 Y C -1.274 174.515 175.900 -0.186 0.000 1.242 288 Y CA -1.537 56.379 58.100 -0.306 0.000 1.059 288 Y CB 0.275 38.606 38.460 -0.214 0.000 1.306 288 Y HN 0.126 nan 8.280 nan 0.000 0.454 289 D N 1.836 122.157 120.400 -0.131 0.000 2.470 289 D HA 0.181 4.821 4.640 0.001 0.000 0.226 289 D C 0.374 176.577 176.300 -0.161 0.000 1.196 289 D CA 0.152 54.052 54.000 -0.166 0.000 0.979 289 D CB 0.651 41.371 40.800 -0.134 0.000 1.059 289 D HN 0.695 nan 8.370 nan 0.000 0.515 290 K N 1.757 121.922 120.400 -0.390 0.000 2.057 290 K HA -0.181 4.140 4.320 0.001 0.000 0.207 290 K C 1.404 177.940 176.600 -0.107 0.000 1.049 290 K CA 1.115 57.213 56.287 -0.315 0.000 0.931 290 K CB 0.314 32.600 32.500 -0.357 0.000 0.714 290 K HN 0.238 nan 8.250 nan 0.000 0.440 291 E N 0.240 120.391 120.200 -0.082 0.000 2.077 291 E HA -0.198 4.152 4.350 0.001 0.000 0.193 291 E C 1.744 178.334 176.600 -0.017 0.000 0.989 291 E CA 1.181 57.553 56.400 -0.046 0.000 0.800 291 E CB -0.385 29.290 29.700 -0.043 0.000 0.746 291 E HN 0.360 nan 8.360 nan 0.000 0.452 292 Y N 0.454 120.680 120.300 -0.122 0.000 2.145 292 Y HA -0.241 4.309 4.550 0.001 0.000 0.286 292 Y C 2.057 177.883 175.900 -0.123 0.000 1.145 292 Y CA 1.308 59.332 58.100 -0.127 0.000 1.148 292 Y CB -0.065 38.329 38.460 -0.110 0.000 0.981 292 Y HN -0.116 nan 8.280 nan 0.000 0.507 293 V N 0.323 120.324 119.914 0.145 0.000 2.427 293 V HA -0.304 3.817 4.120 0.001 0.000 0.248 293 V C 2.598 178.627 176.094 -0.108 0.000 1.051 293 V CA 1.665 63.937 62.300 -0.048 0.000 1.048 293 V CB -1.416 30.223 31.823 -0.307 0.000 0.666 293 V HN 0.575 nan 8.190 nan 0.000 0.456 294 A N -0.310 122.470 122.820 -0.067 0.000 2.019 294 A HA 0.000 4.321 4.320 0.001 0.000 0.219 294 A C 2.293 179.846 177.584 -0.051 0.000 1.164 294 A CA 1.957 53.973 52.037 -0.035 0.000 0.644 294 A CB -0.419 18.568 19.000 -0.021 0.000 0.805 294 A HN 0.562 nan 8.150 nan 0.000 0.449 295 A N -0.620 122.130 122.820 -0.118 0.000 1.956 295 A HA 0.067 4.388 4.320 0.001 0.000 0.212 295 A C 1.406 178.867 177.584 -0.205 0.000 1.188 295 A CA 0.906 52.845 52.037 -0.163 0.000 0.675 295 A CB -0.027 18.835 19.000 -0.231 0.000 0.845 295 A HN 0.461 nan 8.150 nan 0.000 0.455 296 N N -0.132 118.391 118.700 -0.296 0.000 2.204 296 N HA 0.373 5.113 4.740 0.001 0.000 0.219 296 N C -0.204 175.367 175.510 0.102 0.000 1.151 296 N CA 0.661 53.569 53.050 -0.238 0.000 0.867 296 N CB 0.924 38.936 38.487 -0.792 0.000 1.043 296 N HN 0.405 nan 8.380 nan 0.000 0.516 297 A N 0.204 123.097 122.820 0.121 0.000 2.374 297 A HA 0.569 4.889 4.320 0.001 0.000 0.317 297 A C -1.243 176.526 177.584 0.309 0.000 1.094 297 A CA -0.490 51.716 52.037 0.281 0.000 0.765 297 A CB 1.339 20.434 19.000 0.159 0.000 1.268 297 A HN 0.341 nan 8.150 nan 0.000 0.438 298 H N -0.018 119.240 119.070 0.313 0.000 2.538 298 H HA 0.513 5.070 4.556 0.001 0.000 0.353 298 H C 0.876 176.384 175.328 0.301 0.000 1.109 298 H CA 0.621 56.820 56.048 0.252 0.000 1.192 298 H CB 1.498 31.384 29.762 0.207 0.000 1.555 298 H HN 1.646 nan 8.280 nan 0.000 0.518 299 G N 3.642 112.200 108.800 -0.404 0.000 2.168 299 G HA2 -0.388 3.572 3.960 0.001 0.000 0.257 299 G HA3 -0.388 3.572 3.960 0.001 0.000 0.257 299 G C 0.751 175.683 174.900 0.054 0.000 0.997 299 G CA 0.695 45.675 45.100 -0.201 0.000 0.708 299 G HN 0.630 nan 8.290 nan 0.000 0.520 300 F N 1.181 121.062 119.950 -0.114 0.000 2.186 300 F HA 0.066 4.594 4.527 0.001 0.000 0.299 300 F C 2.327 178.119 175.800 -0.013 0.000 1.090 300 F CA 2.259 60.114 58.000 -0.242 0.000 1.307 300 F CB 0.049 38.842 39.000 -0.345 0.000 1.019 300 F HN 0.304 nan 8.300 nan 0.000 0.489 301 E N 0.541 120.764 120.200 0.039 0.000 2.058 301 E HA -0.220 4.130 4.350 0.001 0.000 0.194 301 E C 1.953 178.515 176.600 -0.062 0.000 0.997 301 E CA 1.896 58.289 56.400 -0.012 0.000 0.801 301 E CB -0.497 29.233 29.700 0.050 0.000 0.746 301 E HN 0.457 nan 8.360 nan 0.000 0.450 302 E N -0.370 119.826 120.200 -0.006 0.000 2.106 302 E HA -0.154 4.196 4.350 0.001 0.000 0.192 302 E C 1.617 178.246 176.600 0.049 0.000 0.984 302 E CA 0.980 57.392 56.400 0.021 0.000 0.806 302 E CB -0.326 29.404 29.700 0.050 0.000 0.750 302 E HN 0.358 nan 8.360 nan 0.000 0.458 303 W N 1.406 122.622 121.300 -0.140 0.000 2.355 303 W HA -0.155 4.505 4.660 0.001 0.000 0.309 303 W C 2.338 178.755 176.519 -0.170 0.000 1.206 303 W CA 2.084 59.377 57.345 -0.088 0.000 1.284 303 W CB -0.501 28.893 29.460 -0.111 0.000 1.145 303 W HN 0.066 nan 8.180 nan 0.000 0.502 304 A N 0.224 122.831 122.820 -0.355 0.000 1.917 304 A HA -0.271 4.050 4.320 0.001 0.000 0.219 304 A C 1.760 179.149 177.584 -0.325 0.000 1.182 304 A CA 2.276 54.024 52.037 -0.482 0.000 0.633 304 A CB -1.088 17.631 19.000 -0.469 0.000 0.819 304 A HN 0.333 nan 8.150 nan 0.000 0.448 305 D N -1.937 118.341 120.400 -0.202 0.000 2.178 305 D HA -0.141 4.499 4.640 0.001 0.000 0.201 305 D C 1.642 177.826 176.300 -0.193 0.000 0.980 305 D CA 1.470 55.379 54.000 -0.153 0.000 0.842 305 D CB -0.372 40.379 40.800 -0.081 0.000 0.948 305 D HN 0.639 nan 8.370 nan 0.000 0.472 306 Y N 1.770 121.881 120.300 -0.315 0.000 2.145 306 Y HA -0.213 4.337 4.550 0.001 0.000 0.286 306 Y C 2.215 177.822 175.900 -0.489 0.000 1.145 306 Y CA 1.088 58.967 58.100 -0.369 0.000 1.148 306 Y CB -0.454 37.783 38.460 -0.372 0.000 0.981 306 Y HN -0.223 nan 8.280 nan 0.000 0.507 307 V N 0.807 120.302 119.914 -0.699 0.000 2.392 307 V HA -0.328 3.793 4.120 0.001 0.000 0.249 307 V C 2.384 178.214 176.094 -0.439 0.000 1.059 307 V CA 2.061 63.952 62.300 -0.682 0.000 1.051 307 V CB -0.818 30.640 31.823 -0.609 0.000 0.658 307 V HN 0.448 nan 8.190 nan 0.000 0.455 308 L N 0.171 121.209 121.223 -0.308 0.000 2.551 308 L HA 0.159 4.500 4.340 0.001 0.000 0.228 308 L C 1.853 178.598 176.870 -0.208 0.000 1.153 308 L CA 0.963 55.730 54.840 -0.122 0.000 0.851 308 L CB -0.588 41.391 42.059 -0.134 0.000 0.959 308 L HN 0.594 nan 8.230 nan 0.000 0.451 309 G N -0.246 108.310 108.800 -0.407 0.000 2.175 309 G HA2 -0.299 3.661 3.960 0.001 0.000 0.244 309 G HA3 -0.299 3.661 3.960 0.001 0.000 0.244 309 G C 0.998 175.734 174.900 -0.274 0.000 0.982 309 G CA 0.407 45.258 45.100 -0.416 0.000 0.641 309 G HN 0.339 nan 8.290 nan 0.000 0.527 310 K N 0.038 120.312 120.400 -0.211 0.000 2.209 310 K HA -0.058 4.262 4.320 0.001 0.000 0.204 310 K C 2.653 179.191 176.600 -0.104 0.000 1.048 310 K CA 1.908 58.116 56.287 -0.132 0.000 0.940 310 K CB -0.172 32.268 32.500 -0.101 0.000 0.729 310 K HN 0.650 nan 8.250 nan 0.000 0.451 311 T N -1.360 113.131 114.554 -0.104 0.000 3.023 311 T HA -0.027 4.323 4.350 0.001 0.000 0.249 311 T C 1.180 175.855 174.700 -0.041 0.000 1.050 311 T CA 0.624 62.702 62.100 -0.036 0.000 1.088 311 T CB 0.092 68.987 68.868 0.045 0.000 0.946 311 T HN 0.158 nan 8.240 nan 0.000 0.480 312 D N 0.584 120.918 120.400 -0.110 0.000 2.433 312 D HA 0.257 4.897 4.640 0.001 0.000 0.211 312 D C 1.562 177.772 176.300 -0.150 0.000 1.114 312 D CA 0.263 54.202 54.000 -0.102 0.000 0.837 312 D CB -0.487 40.262 40.800 -0.086 0.000 0.984 312 D HN 0.516 nan 8.370 nan 0.000 0.505 313 G N 0.047 108.743 108.800 -0.174 0.000 2.168 313 G HA2 -0.244 3.716 3.960 0.001 0.000 0.257 313 G HA3 -0.244 3.716 3.960 0.001 0.000 0.257 313 G C 0.100 174.866 174.900 -0.223 0.000 0.997 313 G CA 0.676 45.678 45.100 -0.164 0.000 0.708 313 G HN 0.454 nan 8.290 nan 0.000 0.520 314 T N 1.728 116.075 114.554 -0.345 0.000 3.009 314 T HA 0.503 4.854 4.350 0.001 0.000 0.346 314 T C -2.717 171.566 174.700 -0.695 0.000 1.092 314 T CA -0.970 60.846 62.100 -0.473 0.000 1.080 314 T CB 2.649 71.217 68.868 -0.500 0.000 1.037 314 T HN 0.032 nan 8.240 nan 0.000 0.487 315 P HA 0.151 nan 4.420 nan 0.000 0.267 315 P C -0.004 176.678 177.300 -1.031 0.000 1.205 315 P CA -0.542 62.165 63.100 -0.656 0.000 0.765 315 P CB 0.514 31.959 31.700 -0.427 0.000 0.828 316 K N 2.440 122.146 120.400 -1.155 0.000 2.737 316 K HA 0.113 4.434 4.320 0.001 0.000 0.251 316 K C 0.622 176.684 176.600 -0.896 0.000 1.280 316 K CA 0.143 55.711 56.287 -1.199 0.000 1.219 316 K CB -1.234 30.724 32.500 -0.904 0.000 1.587 316 K HN 0.491 nan 8.250 nan 0.000 0.279 317 T N -3.257 110.788 114.554 -0.849 0.000 2.766 317 T HA 0.032 4.382 4.350 0.001 0.000 0.295 317 T C 1.620 176.279 174.700 -0.069 0.000 1.024 317 T CA -0.571 61.181 62.100 -0.580 0.000 1.018 317 T CB 0.830 69.479 68.868 -0.364 0.000 1.002 317 T HN 0.390 nan 8.240 nan 0.000 0.532 318 C N 0.681 119.979 119.300 -0.004 0.000 2.446 318 C HA 0.049 4.510 4.460 0.001 0.000 0.279 318 C C 2.775 177.759 174.990 -0.010 0.000 1.366 318 C CA 0.352 59.388 59.018 0.030 0.000 1.763 318 C CB -1.456 26.309 27.740 0.042 0.000 1.929 318 C HN 0.981 nan 8.230 nan 0.000 0.509 319 E N -0.191 120.003 120.200 -0.010 0.000 2.072 319 E HA -0.184 4.167 4.350 0.001 0.000 0.191 319 E C 1.669 178.253 176.600 -0.028 0.000 0.985 319 E CA 1.120 57.503 56.400 -0.028 0.000 0.801 319 E CB -0.306 29.382 29.700 -0.020 0.000 0.750 319 E HN 0.836 nan 8.360 nan 0.000 0.452 320 W N 1.277 122.459 121.300 -0.197 0.000 2.358 320 W HA -0.145 4.515 4.660 0.001 0.000 0.303 320 W C 2.159 178.550 176.519 -0.213 0.000 1.208 320 W CA 2.077 59.289 57.345 -0.221 0.000 1.274 320 W CB -0.386 28.892 29.460 -0.303 0.000 1.138 320 W HN 0.043 nan 8.180 nan 0.000 0.515 321 A N 0.258 122.934 122.820 -0.241 0.000 1.933 321 A HA -0.246 4.074 4.320 0.001 0.000 0.218 321 A C 1.990 179.341 177.584 -0.387 0.000 1.175 321 A CA 1.933 53.687 52.037 -0.471 0.000 0.628 321 A CB -1.075 17.870 19.000 -0.093 0.000 0.814 321 A HN 0.590 nan 8.150 nan 0.000 0.444 322 E N -0.193 119.854 120.200 -0.255 0.000 2.106 322 E HA -0.227 4.123 4.350 0.001 0.000 0.192 322 E C 1.934 178.388 176.600 -0.244 0.000 0.984 322 E CA 1.233 57.499 56.400 -0.222 0.000 0.806 322 E CB -0.198 29.403 29.700 -0.165 0.000 0.750 322 E HN 0.729 nan 8.360 nan 0.000 0.458 323 E N -0.171 119.863 120.200 -0.277 0.000 2.153 323 E HA -0.204 4.147 4.350 0.001 0.000 0.194 323 E C 1.826 178.242 176.600 -0.307 0.000 0.988 323 E CA 1.044 57.289 56.400 -0.258 0.000 0.811 323 E CB 0.195 29.752 29.700 -0.239 0.000 0.746 323 E HN 0.272 nan 8.360 nan 0.000 0.466 324 E N -0.096 119.829 120.200 -0.458 0.000 2.051 324 E HA -0.096 4.255 4.350 0.001 0.000 0.189 324 E C 2.217 178.679 176.600 -0.230 0.000 0.979 324 E CA 1.445 57.610 56.400 -0.392 0.000 0.803 324 E CB -0.096 29.211 29.700 -0.656 0.000 0.761 324 E HN 0.264 nan 8.360 nan 0.000 0.451 325 S N -1.418 114.144 115.700 -0.231 0.000 2.492 325 S HA 0.228 4.698 4.470 0.001 0.000 0.218 325 S C 1.683 176.194 174.600 -0.148 0.000 1.016 325 S CA 0.822 58.936 58.200 -0.143 0.000 0.916 325 S CB 0.740 63.876 63.200 -0.107 0.000 0.791 325 S HN 0.320 nan 8.310 nan 0.000 0.513 326 G N 0.619 109.314 108.800 -0.175 0.000 2.195 326 G HA2 -0.238 3.722 3.960 0.001 0.000 0.246 326 G HA3 -0.238 3.722 3.960 0.001 0.000 0.246 326 G C 0.064 174.841 174.900 -0.206 0.000 0.984 326 G CA 0.039 45.039 45.100 -0.167 0.000 0.633 326 G HN 0.712 nan 8.290 nan 0.000 0.525 327 V N 2.544 122.311 119.914 -0.244 0.000 2.530 327 V HA 0.394 4.514 4.120 0.001 0.000 0.282 327 V C -1.470 174.428 176.094 -0.327 0.000 1.048 327 V CA -1.322 60.766 62.300 -0.355 0.000 0.997 327 V CB 1.279 32.829 31.823 -0.454 0.000 0.987 327 V HN 0.107 nan 8.190 nan 0.000 0.477 328 P HA -0.001 nan 4.420 nan 0.000 0.261 328 P C 0.578 177.750 177.300 -0.213 0.000 1.173 328 P CA 0.410 63.370 63.100 -0.234 0.000 0.760 328 P CB 0.648 32.224 31.700 -0.207 0.000 0.783 329 A N 3.832 126.571 122.820 -0.136 0.000 1.908 329 A HA -0.252 4.069 4.320 0.001 0.000 0.218 329 A C 2.197 179.751 177.584 -0.050 0.000 1.181 329 A CA 2.038 54.024 52.037 -0.085 0.000 0.627 329 A CB -1.797 17.170 19.000 -0.054 0.000 0.818 329 A HN 0.757 nan 8.150 nan 0.000 0.445 330 C N -0.663 118.610 119.300 -0.045 0.000 2.425 330 C HA -0.060 4.400 4.460 0.001 0.000 0.277 330 C C 2.238 177.235 174.990 0.011 0.000 1.280 330 C CA 1.093 60.108 59.018 -0.005 0.000 1.744 330 C CB -1.501 26.237 27.740 -0.003 0.000 1.989 330 C HN 0.655 nan 8.230 nan 0.000 0.491 331 E N 1.275 121.445 120.200 -0.050 0.000 2.107 331 E HA -0.039 4.311 4.350 0.001 0.000 0.191 331 E C 2.142 178.797 176.600 0.092 0.000 0.982 331 E CA 1.269 57.669 56.400 -0.001 0.000 0.809 331 E CB -0.206 29.374 29.700 -0.200 0.000 0.756 331 E HN 0.727 nan 8.360 nan 0.000 0.459 332 I N 1.003 121.545 120.570 -0.047 0.000 2.226 332 I HA -0.275 3.895 4.170 0.001 0.000 0.245 332 I C 2.764 178.980 176.117 0.164 0.000 1.100 332 I CA 1.113 62.466 61.300 0.088 0.000 1.374 332 I CB -0.264 37.739 38.000 0.005 0.000 1.057 332 I HN 0.018 nan 8.210 nan 0.000 0.413 333 R N 1.249 121.819 120.500 0.117 0.000 2.092 333 R HA -0.136 4.204 4.340 0.001 0.000 0.231 333 R C 2.397 178.806 176.300 0.182 0.000 1.119 333 R CA 1.417 57.601 56.100 0.139 0.000 0.970 333 R CB -0.205 30.161 30.300 0.110 0.000 0.864 333 R HN 0.344 nan 8.270 nan 0.000 0.440 334 A N 1.168 124.096 122.820 0.179 0.000 1.902 334 A HA -0.171 4.150 4.320 0.001 0.000 0.217 334 A C 2.010 179.745 177.584 0.251 0.000 1.181 334 A CA 1.288 53.441 52.037 0.194 0.000 0.623 334 A CB -0.596 18.508 19.000 0.174 0.000 0.818 334 A HN 0.392 nan 8.150 nan 0.000 0.443 335 L N -0.212 121.194 121.223 0.305 0.000 2.027 335 L HA -0.022 4.318 4.340 0.001 0.000 0.206 335 L C 2.658 179.808 176.870 0.466 0.000 1.074 335 L CA 2.231 57.282 54.840 0.351 0.000 0.745 335 L CB -1.007 41.279 42.059 0.378 0.000 0.898 335 L HN 0.342 nan 8.230 nan 0.000 0.433 336 A N -0.128 122.938 122.820 0.410 0.000 1.873 336 A HA -0.275 4.045 4.320 0.001 0.000 0.218 336 A C 2.440 180.411 177.584 0.645 0.000 1.193 336 A CA 2.192 54.495 52.037 0.443 0.000 0.629 336 A CB -0.670 18.397 19.000 0.111 0.000 0.826 336 A HN 0.528 nan 8.150 nan 0.000 0.447 337 R N -1.361 119.393 120.500 0.422 0.000 2.105 337 R HA -0.177 4.163 4.340 0.001 0.000 0.239 337 R C 2.510 179.004 176.300 0.323 0.000 1.135 337 R CA 1.694 58.004 56.100 0.350 0.000 0.967 337 R CB -0.245 30.198 30.300 0.238 0.000 0.861 337 R HN 0.660 nan 8.270 nan 0.000 0.442 338 Q N -0.115 119.880 119.800 0.326 0.000 2.083 338 Q HA -0.163 4.178 4.340 0.001 0.000 0.198 338 Q C 1.630 177.832 176.000 0.337 0.000 0.969 338 Q CA 1.252 57.216 55.803 0.268 0.000 0.838 338 Q CB -0.245 28.625 28.738 0.219 0.000 0.900 338 Q HN 0.383 nan 8.270 nan 0.000 0.436 339 W N 0.575 122.023 121.300 0.248 0.000 2.335 339 W HA -0.151 4.510 4.660 0.001 0.000 0.311 339 W C 1.944 178.536 176.519 0.120 0.000 1.213 339 W CA 2.187 59.690 57.345 0.262 0.000 1.274 339 W CB -0.918 28.851 29.460 0.515 0.000 1.148 339 W HN 0.287 nan 8.180 nan 0.000 0.498 340 A N 1.107 124.152 122.820 0.374 0.000 1.902 340 A HA -0.237 4.083 4.320 0.001 0.000 0.217 340 A C 2.022 179.613 177.584 0.011 0.000 1.181 340 A CA 2.523 54.523 52.037 -0.062 0.000 0.623 340 A CB -0.848 18.042 19.000 -0.183 0.000 0.818 340 A HN 0.475 nan 8.150 nan 0.000 0.443 341 K N -1.514 118.943 120.400 0.095 0.000 2.400 341 K HA 0.111 4.432 4.320 0.001 0.000 0.194 341 K C 0.062 176.701 176.600 0.066 0.000 1.033 341 K CA 0.274 56.599 56.287 0.063 0.000 1.021 341 K CB 0.200 32.745 32.500 0.075 0.000 0.808 341 K HN 0.066 nan 8.250 nan 0.000 0.505 342 K N 1.493 121.950 120.400 0.095 0.000 2.221 342 K HA 0.242 4.563 4.320 0.001 0.000 0.243 342 K C -0.774 175.863 176.600 0.061 0.000 0.968 342 K CA -0.953 55.381 56.287 0.080 0.000 0.846 342 K CB 1.108 33.662 32.500 0.089 0.000 1.141 342 K HN -0.058 nan 8.250 nan 0.000 0.434 343 N N 1.635 120.367 118.700 0.054 0.000 2.400 343 N HA 0.070 4.810 4.740 0.001 0.000 0.267 343 N C -0.834 174.682 175.510 0.010 0.000 1.208 343 N CA 0.424 53.483 53.050 0.015 0.000 0.951 343 N CB 0.177 38.714 38.487 0.082 0.000 1.227 343 N HN 0.279 nan 8.380 nan 0.000 0.488 344 T N 2.691 117.205 114.554 -0.066 0.000 2.797 344 T HA 0.342 4.692 4.350 0.001 0.000 0.279 344 T C -0.351 174.220 174.700 -0.215 0.000 0.991 344 T CA -0.352 61.671 62.100 -0.129 0.000 0.979 344 T CB 0.529 69.221 68.868 -0.293 0.000 0.943 344 T HN 0.190 nan 8.240 nan 0.000 0.444 345 Y N 2.063 122.312 120.300 -0.085 0.000 2.330 345 Y HA 0.510 5.061 4.550 0.001 0.000 0.336 345 Y C -0.024 175.782 175.900 -0.155 0.000 1.036 345 Y CA -1.261 56.834 58.100 -0.007 0.000 1.125 345 Y CB 1.123 39.660 38.460 0.130 0.000 1.194 345 Y HN 0.403 nan 8.280 nan 0.000 0.469 346 L N 4.220 125.514 121.223 0.118 0.000 2.268 346 L HA 0.586 4.926 4.340 0.001 0.000 0.289 346 L C 0.032 176.928 176.870 0.044 0.000 1.064 346 L CA -0.515 54.381 54.840 0.093 0.000 0.824 346 L CB 0.069 42.334 42.059 0.344 0.000 1.202 346 L HN 0.691 nan 8.230 nan 0.000 0.433 347 A N 5.601 128.336 122.820 -0.141 0.000 3.015 347 A HA 0.710 5.030 4.320 0.001 0.000 0.293 347 A C 0.404 178.044 177.584 0.094 0.000 1.572 347 A CA -0.066 51.864 52.037 -0.178 0.000 1.274 347 A CB -0.582 18.044 19.000 -0.624 0.000 1.156 347 A HN 0.920 nan 8.150 nan 0.000 0.562 348 A N 1.877 124.805 122.820 0.181 0.000 2.302 348 A HA 0.661 4.981 4.320 0.001 0.000 0.295 348 A C 1.011 178.824 177.584 0.381 0.000 1.235 348 A CA 0.472 52.737 52.037 0.379 0.000 0.876 348 A CB -0.564 18.597 19.000 0.269 0.000 1.133 348 A HN 2.575 nan 8.150 nan 0.000 0.533 349 G N 1.495 110.613 108.800 0.530 0.000 2.814 349 G HA2 0.169 4.129 3.960 0.001 0.000 0.677 349 G HA3 0.169 4.129 3.960 0.001 0.000 0.677 349 G C 0.859 175.872 174.900 0.189 0.000 1.429 349 G CA -0.103 45.227 45.100 0.385 0.000 0.868 349 G HN 1.729 nan 8.290 nan 0.000 0.553 350 G N -1.046 107.836 108.800 0.137 0.000 2.623 350 G HA2 0.298 4.259 3.960 0.001 0.000 0.214 350 G HA3 0.298 4.259 3.960 0.001 0.000 0.214 350 G C 1.659 176.536 174.900 -0.039 0.000 1.138 350 G CA 1.671 46.801 45.100 0.050 0.000 0.794 350 G HN 1.254 nan 8.290 nan 0.000 0.535 351 L N -0.338 120.832 121.223 -0.088 0.000 2.470 351 L HA 0.507 4.848 4.340 0.001 0.000 0.219 351 L C 1.127 177.796 176.870 -0.335 0.000 1.071 351 L CA 1.428 56.092 54.840 -0.293 0.000 0.850 351 L CB 0.417 42.083 42.059 -0.654 0.000 1.040 351 L HN 0.283 nan 8.230 nan 0.000 0.475 352 G N -0.658 107.965 108.800 -0.295 0.000 2.740 352 G HA2 0.433 4.393 3.960 0.001 0.000 0.267 352 G HA3 0.433 4.393 3.960 0.001 0.000 0.267 352 G C 0.232 174.816 174.900 -0.526 0.000 0.971 352 G CA -0.324 44.599 45.100 -0.295 0.000 1.288 352 G HN 1.080 nan 8.290 nan 0.000 0.615 353 G N -0.074 108.392 108.800 -0.557 0.000 2.373 353 G HA2 0.464 4.424 3.960 0.001 0.000 0.634 353 G HA3 0.464 4.424 3.960 0.001 0.000 0.634 353 G C 0.315 174.972 174.900 -0.405 0.000 1.267 353 G CA 0.494 44.907 45.100 -1.145 0.000 1.008 353 G HN 2.011 nan 8.290 nan 0.000 0.497 354 W N -1.929 119.060 121.300 -0.518 0.000 2.962 354 W HA 0.339 4.999 4.660 0.001 0.000 0.227 354 W C 1.255 178.043 176.519 0.449 0.000 0.611 354 W CA 2.173 59.522 57.345 0.007 0.000 0.492 354 W CB -1.468 27.856 29.460 -0.227 0.000 2.512 354 W HN 3.030 nan 8.180 nan 0.000 0.399 355 G N -1.115 107.956 108.800 0.451 0.000 3.055 355 G HA2 0.484 4.444 3.960 0.001 0.000 0.685 355 G HA3 0.484 4.444 3.960 0.001 0.000 0.685 355 G C 0.423 175.346 174.900 0.040 0.000 1.212 355 G CA 0.518 45.788 45.100 0.284 0.000 0.822 355 G HN 1.766 nan 8.290 nan 0.000 0.610 356 G N 0.792 109.541 108.800 -0.085 0.000 2.485 356 G HA2 0.179 4.139 3.960 0.001 0.000 0.221 356 G HA3 0.179 4.139 3.960 0.001 0.000 0.221 356 G C 2.054 176.861 174.900 -0.155 0.000 1.115 356 G CA 2.478 47.520 45.100 -0.096 0.000 0.751 356 G HN 2.065 nan 8.290 nan 0.000 0.567 357 A N 0.397 122.977 122.820 -0.399 0.000 2.019 357 A HA -0.110 4.210 4.320 0.001 0.000 0.219 357 A C 2.617 179.930 177.584 -0.452 0.000 1.164 357 A CA 1.913 53.561 52.037 -0.648 0.000 0.644 357 A CB -0.989 17.049 19.000 -1.603 0.000 0.805 357 A HN 0.979 nan 8.150 nan 0.000 0.449 358 C N -0.269 118.968 119.300 -0.104 0.000 2.481 358 C HA 0.186 4.647 4.460 0.001 0.000 0.275 358 C C 1.539 176.566 174.990 0.062 0.000 1.419 358 C CA 0.255 59.352 59.018 0.132 0.000 1.773 358 C CB -1.216 26.760 27.740 0.394 0.000 1.862 358 C HN 0.609 nan 8.230 nan 0.000 0.530 359 R N 0.977 121.495 120.500 0.030 0.000 3.301 359 R HA 0.731 5.072 4.340 0.001 0.000 0.286 359 R C -0.433 175.869 176.300 0.004 0.000 1.386 359 R CA 0.265 56.396 56.100 0.052 0.000 1.607 359 R CB 0.126 30.471 30.300 0.076 0.000 1.305 359 R HN 0.447 nan 8.270 nan 0.000 0.637 360 A N 0.542 123.338 122.820 -0.040 0.000 2.593 360 A HA 0.390 4.711 4.320 0.001 0.000 0.290 360 A C 0.680 178.185 177.584 -0.133 0.000 1.126 360 A CA -0.479 51.524 52.037 -0.057 0.000 0.695 360 A CB 1.366 20.404 19.000 0.064 0.000 1.290 360 A HN 0.418 nan 8.150 nan 0.000 0.414 361 S N 0.246 115.727 115.700 -0.366 0.000 2.465 361 S HA -0.197 4.273 4.470 0.001 0.000 0.241 361 S C 1.044 175.465 174.600 -0.298 0.000 1.000 361 S CA 1.857 59.609 58.200 -0.746 0.000 0.964 361 S CB -0.579 61.529 63.200 -1.820 0.000 0.763 361 S HN 1.137 nan 8.310 nan 0.000 0.512 362 H N -0.704 118.183 119.070 -0.305 0.000 2.592 362 H HA 0.459 5.015 4.556 0.001 0.000 0.279 362 H C 1.571 176.787 175.328 -0.188 0.000 1.089 362 H CA 0.026 55.904 56.048 -0.285 0.000 1.150 362 H CB -0.899 28.648 29.762 -0.359 0.000 1.575 362 H HN 0.332 nan 8.280 nan 0.000 0.547 363 G N 1.797 110.381 108.800 -0.361 0.000 2.469 363 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 363 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 363 G C 1.654 176.448 174.900 -0.176 0.000 1.136 363 G CA 1.046 45.985 45.100 -0.269 0.000 0.759 363 G HN 0.415 nan 8.290 nan 0.000 0.562 364 I N 0.489 121.002 120.570 -0.095 0.000 2.179 364 I HA -0.118 4.052 4.170 0.001 0.000 0.242 364 I C 2.621 178.644 176.117 -0.158 0.000 1.088 364 I CA 1.105 62.364 61.300 -0.069 0.000 1.357 364 I CB -0.113 37.923 38.000 0.060 0.000 1.051 364 I HN 0.089 nan 8.210 nan 0.000 0.409 365 E N -0.257 119.883 120.200 -0.100 0.000 2.208 365 E HA -0.223 4.127 4.350 0.001 0.000 0.193 365 E C 1.628 178.168 176.600 -0.100 0.000 0.988 365 E CA 0.798 57.210 56.400 0.019 0.000 0.828 365 E CB -0.396 29.414 29.700 0.183 0.000 0.763 365 E HN 0.599 nan 8.360 nan 0.000 0.478 366 W N 2.113 123.170 121.300 -0.405 0.000 2.378 366 W HA -0.104 4.557 4.660 0.001 0.000 0.313 366 W C 2.368 178.505 176.519 -0.637 0.000 1.197 366 W CA 2.270 59.351 57.345 -0.439 0.000 1.304 366 W CB -0.588 28.552 29.460 -0.534 0.000 1.148 366 W HN 0.033 nan 8.180 nan 0.000 0.494 367 A N 0.956 123.150 122.820 -1.043 0.000 1.883 367 A HA -0.216 4.105 4.320 0.001 0.000 0.217 367 A C 2.108 178.867 177.584 -1.375 0.000 1.186 367 A CA 2.034 53.011 52.037 -1.765 0.000 0.624 367 A CB -0.908 17.051 19.000 -1.736 0.000 0.822 367 A HN 0.398 nan 8.150 nan 0.000 0.444 368 R N -1.029 118.863 120.500 -1.013 0.000 2.120 368 R HA -0.105 4.236 4.340 0.001 0.000 0.234 368 R C 2.328 177.890 176.300 -1.231 0.000 1.123 368 R CA 0.989 56.441 56.100 -1.080 0.000 0.975 368 R CB -0.520 29.188 30.300 -0.987 0.000 0.866 368 R HN 0.566 nan 8.270 nan 0.000 0.446 369 G N 0.777 108.959 108.800 -1.030 0.000 2.402 369 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 369 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 369 G C 1.409 175.924 174.900 -0.642 0.000 1.162 369 G CA 0.293 45.025 45.100 -0.615 0.000 0.777 369 G HN 0.059 nan 8.290 nan 0.000 0.539 370 M N 0.437 119.500 119.600 -0.895 0.000 2.149 370 M HA 0.061 4.542 4.480 0.001 0.000 0.261 370 M C 2.579 178.591 176.300 -0.479 0.000 1.064 370 M CA 0.942 55.819 55.300 -0.705 0.000 1.102 370 M CB -0.947 31.112 32.600 -0.901 0.000 1.369 370 M HN 0.240 nan 8.290 nan 0.000 0.408 371 I N -0.115 120.038 120.570 -0.695 0.000 2.315 371 I HA -0.208 3.962 4.170 0.001 0.000 0.248 371 I C 2.611 178.439 176.117 -0.483 0.000 1.117 371 I CA 0.876 61.759 61.300 -0.695 0.000 1.404 371 I CB -0.568 36.773 38.000 -1.100 0.000 1.071 371 I HN 0.193 nan 8.210 nan 0.000 0.419 372 A N 1.068 123.561 122.820 -0.545 0.000 1.865 372 A HA -0.206 4.114 4.320 0.001 0.000 0.217 372 A C 2.157 179.751 177.584 0.016 0.000 1.191 372 A CA 1.586 53.430 52.037 -0.323 0.000 0.623 372 A CB -0.843 18.003 19.000 -0.257 0.000 0.826 372 A HN 0.261 nan 8.150 nan 0.000 0.444 373 L N -0.321 120.888 121.223 -0.023 0.000 1.989 373 L HA -0.169 4.171 4.340 0.001 0.000 0.211 373 L C 3.038 180.015 176.870 0.180 0.000 1.071 373 L CA 2.167 57.071 54.840 0.106 0.000 0.749 373 L CB -1.106 40.901 42.059 -0.086 0.000 0.890 373 L HN 0.415 nan 8.230 nan 0.000 0.431 374 A N -1.862 121.034 122.820 0.127 0.000 1.933 374 A HA -0.205 4.115 4.320 0.001 0.000 0.218 374 A C 2.351 179.984 177.584 0.081 0.000 1.175 374 A CA 2.259 54.389 52.037 0.155 0.000 0.628 374 A CB -0.951 18.140 19.000 0.153 0.000 0.814 374 A HN 0.465 nan 8.150 nan 0.000 0.444 375 T N -0.037 114.581 114.554 0.107 0.000 2.737 375 T HA -0.106 4.245 4.350 0.001 0.000 0.265 375 T C 1.911 176.651 174.700 0.067 0.000 1.038 375 T CA 1.681 63.892 62.100 0.186 0.000 1.144 375 T CB -0.298 68.754 68.868 0.308 0.000 0.866 375 T HN 0.447 nan 8.240 nan 0.000 0.434 376 M N 0.841 120.511 119.600 0.117 0.000 2.279 376 M HA -0.060 4.420 4.480 0.001 0.000 0.264 376 M C 1.853 178.099 176.300 -0.091 0.000 1.062 376 M CA 1.154 56.497 55.300 0.072 0.000 1.099 376 M CB -0.144 32.565 32.600 0.182 0.000 1.394 376 M HN 0.066 nan 8.290 nan 0.000 0.426 377 Q N -0.141 119.534 119.800 -0.208 0.000 2.320 377 Q HA 0.181 4.521 4.340 0.001 0.000 0.201 377 Q C 0.663 176.430 176.000 -0.389 0.000 0.910 377 Q CA 0.429 56.053 55.803 -0.299 0.000 0.946 377 Q CB 0.429 29.046 28.738 -0.203 0.000 1.062 377 Q HN 0.644 nan 8.270 nan 0.000 0.503 378 G N 2.863 111.235 108.800 -0.713 0.000 2.353 378 G HA2 -0.280 3.681 3.960 0.001 0.000 0.294 378 G HA3 -0.280 3.681 3.960 0.001 0.000 0.294 378 G C 0.274 174.696 174.900 -0.796 0.000 1.077 378 G CA 0.479 44.689 45.100 -1.483 0.000 1.098 378 G HN 0.440 nan 8.290 nan 0.000 0.511 379 M N -0.797 118.549 119.600 -0.423 0.000 2.245 379 M HA 0.446 4.927 4.480 0.001 0.000 0.335 379 M C 1.472 177.817 176.300 0.074 0.000 1.155 379 M CA 1.446 56.713 55.300 -0.056 0.000 1.055 379 M CB 0.751 33.424 32.600 0.122 0.000 1.670 379 M HN 1.722 nan 8.290 nan 0.000 0.447 380 G N 2.223 111.054 108.800 0.051 0.000 2.284 380 G HA2 -0.228 3.732 3.960 0.001 0.000 0.216 380 G HA3 -0.228 3.732 3.960 0.001 0.000 0.216 380 G C -0.018 174.901 174.900 0.031 0.000 1.009 380 G CA 0.169 45.311 45.100 0.070 0.000 0.625 380 G HN 1.048 nan 8.290 nan 0.000 0.501 381 K N 1.113 121.505 120.400 -0.014 0.000 2.098 381 K HA 0.619 4.939 4.320 0.001 0.000 0.257 381 K C -2.842 173.700 176.600 -0.096 0.000 0.999 381 K CA -1.800 54.459 56.287 -0.047 0.000 0.924 381 K CB 1.127 33.588 32.500 -0.064 0.000 1.028 381 K HN 0.029 nan 8.250 nan 0.000 0.466 382 P HA -0.056 nan 4.420 nan 0.000 0.261 382 P C 0.431 177.572 177.300 -0.266 0.000 1.183 382 P CA 1.403 64.336 63.100 -0.278 0.000 0.761 382 P CB 0.403 31.760 31.700 -0.572 0.000 0.785 383 G N 1.745 110.501 108.800 -0.073 0.000 2.184 383 G HA2 -0.223 3.737 3.960 0.001 0.000 0.264 383 G HA3 -0.223 3.737 3.960 0.001 0.000 0.264 383 G C 0.237 174.842 174.900 -0.492 0.000 0.975 383 G CA 0.257 45.311 45.100 -0.076 0.000 0.642 383 G HN 0.803 nan 8.290 nan 0.000 0.536 384 S N -0.216 115.180 115.700 -0.507 0.000 2.720 384 S HA 0.683 5.154 4.470 0.001 0.000 0.278 384 S C -0.819 173.587 174.600 -0.322 0.000 1.172 384 S CA 0.033 57.948 58.200 -0.474 0.000 1.019 384 S CB 1.313 64.357 63.200 -0.261 0.000 1.049 384 S HN 0.747 nan 8.310 nan 0.000 0.483 385 N N 2.478 121.018 118.700 -0.266 0.000 3.465 385 N HA 0.245 4.985 4.740 0.001 0.000 0.244 385 N C -1.923 173.702 175.510 0.193 0.000 1.454 385 N CA -0.512 52.562 53.050 0.041 0.000 0.865 385 N CB 1.323 39.905 38.487 0.158 0.000 1.439 385 N HN 0.683 nan 8.380 nan 0.000 0.480 386 M N 1.631 121.371 119.600 0.232 0.000 2.061 386 M HA 0.420 4.900 4.480 0.001 0.000 0.346 386 M C -1.703 174.777 176.300 0.300 0.000 1.112 386 M CA -0.517 54.925 55.300 0.237 0.000 1.021 386 M CB 0.569 33.284 32.600 0.192 0.000 1.530 386 M HN 0.517 nan 8.290 nan 0.000 0.437 387 W N 3.492 124.833 121.300 0.069 0.000 3.405 387 W HA 0.401 5.061 4.660 0.001 0.000 0.329 387 W C -1.107 175.358 176.519 -0.090 0.000 1.142 387 W CA -0.591 56.744 57.345 -0.017 0.000 1.235 387 W CB 1.635 31.100 29.460 0.008 0.000 1.341 387 W HN 0.530 nan 8.180 nan 0.000 0.481 388 S N 2.323 117.784 115.700 -0.399 0.000 2.577 388 S HA 0.032 4.502 4.470 0.001 0.000 0.219 388 S C 1.398 175.563 174.600 -0.725 0.000 0.962 388 S CA 0.865 58.788 58.200 -0.462 0.000 0.921 388 S CB -0.036 63.047 63.200 -0.195 0.000 0.789 388 S HN 1.049 nan 8.310 nan 0.000 0.497 389 T N -1.060 112.503 114.554 -1.652 0.000 6.974 389 T HA -0.289 4.061 4.350 0.001 0.000 0.287 389 T C 1.130 175.560 174.700 -0.451 0.000 2.146 389 T CA 2.076 63.306 62.100 -1.451 0.000 3.451 389 T CB -2.665 65.636 68.868 -0.945 0.000 1.630 389 T HN 0.571 nan 8.240 nan 0.000 1.173 390 T N -2.363 112.015 114.554 -0.294 0.000 3.044 390 T HA 0.353 4.704 4.350 0.001 0.000 0.255 390 T C 0.945 175.619 174.700 -0.042 0.000 1.073 390 T CA 0.431 62.452 62.100 -0.132 0.000 1.125 390 T CB 0.225 69.006 68.868 -0.146 0.000 0.908 390 T HN 0.805 nan 8.240 nan 0.000 0.480 391 Q N -0.131 119.688 119.800 0.031 0.000 2.699 391 Q HA 0.565 4.906 4.340 0.001 0.000 0.240 391 Q C 0.808 176.919 176.000 0.184 0.000 1.033 391 Q CA -0.534 55.286 55.803 0.029 0.000 0.938 391 Q CB 1.125 29.800 28.738 -0.106 0.000 1.312 391 Q HN 0.378 nan 8.270 nan 0.000 0.507 392 G N -0.562 108.254 108.800 0.027 0.000 2.176 392 G HA2 -0.233 3.728 3.960 0.001 0.000 0.253 392 G HA3 -0.233 3.728 3.960 0.001 0.000 0.253 392 G C 0.060 174.937 174.900 -0.038 0.000 0.979 392 G CA 0.092 45.184 45.100 -0.014 0.000 0.641 392 G HN 0.329 nan 8.290 nan 0.000 0.530 393 V N 2.505 122.391 119.914 -0.047 0.000 2.673 393 V HA 0.259 4.380 4.120 0.001 0.000 0.303 393 V C -0.526 175.396 176.094 -0.286 0.000 1.046 393 V CA -0.026 62.123 62.300 -0.252 0.000 1.126 393 V CB 1.072 32.794 31.823 -0.169 0.000 0.934 393 V HN 0.280 nan 8.190 nan 0.000 0.487 394 P HA 0.156 nan 4.420 nan 0.000 0.228 394 P C -0.112 176.895 177.300 -0.487 0.000 1.748 394 P CA 0.007 62.820 63.100 -0.478 0.000 0.909 394 P CB -0.035 31.407 31.700 -0.429 0.000 1.882 395 L N -0.018 120.967 121.223 -0.397 0.000 2.475 395 L HA 0.242 4.582 4.340 0.001 0.000 0.253 395 L C 1.142 177.824 176.870 -0.313 0.000 1.198 395 L CA -0.440 54.296 54.840 -0.173 0.000 0.814 395 L CB 0.045 42.185 42.059 0.134 0.000 1.134 395 L HN -0.022 nan 8.230 nan 0.000 0.478 396 D N -0.215 120.145 120.400 -0.067 0.000 2.367 396 D HA 0.005 4.645 4.640 0.001 0.000 0.255 396 D C 0.719 177.155 176.300 0.227 0.000 1.300 396 D CA 0.403 54.410 54.000 0.012 0.000 0.959 396 D CB 0.157 41.016 40.800 0.098 0.000 1.064 396 D HN 0.290 nan 8.370 nan 0.000 0.509 397 Y N 1.604 122.106 120.300 0.337 0.000 2.421 397 Y HA -0.110 4.440 4.550 0.001 0.000 0.292 397 Y C 2.059 178.179 175.900 0.366 0.000 1.136 397 Y CA 0.258 58.612 58.100 0.423 0.000 1.255 397 Y CB 0.255 38.910 38.460 0.325 0.000 0.991 397 Y HN 0.411 nan 8.280 nan 0.000 0.552 398 E N 0.235 120.683 120.200 0.413 0.000 2.106 398 E HA -0.161 4.190 4.350 0.001 0.000 0.192 398 E C 0.247 177.067 176.600 0.366 0.000 0.984 398 E CA 0.194 56.791 56.400 0.328 0.000 0.806 398 E CB -0.122 29.724 29.700 0.243 0.000 0.750 398 E HN 0.213 nan 8.360 nan 0.000 0.458 399 F N 1.211 121.314 119.950 0.255 0.000 2.578 399 F HA 0.027 4.554 4.527 0.001 0.000 0.376 399 F C -0.370 175.615 175.800 0.307 0.000 1.085 399 F CA -0.311 57.841 58.000 0.253 0.000 1.260 399 F CB 0.304 39.415 39.000 0.186 0.000 1.095 399 F HN -0.132 nan 8.300 nan 0.000 0.573 400 Y N 8.053 128.024 120.300 -0.548 0.000 2.328 400 Y HA 0.485 5.035 4.550 0.001 0.000 0.337 400 Y C -1.868 173.786 175.900 -0.410 0.000 0.966 400 Y CA -1.663 56.253 58.100 -0.307 0.000 1.136 400 Y CB 0.835 39.206 38.460 -0.147 0.000 1.170 400 Y HN 0.543 nan 8.280 nan 0.000 0.470 401 F N 8.825 128.195 119.950 -0.967 0.000 2.607 401 F HA 0.579 5.106 4.527 0.001 0.000 0.322 401 F C -2.780 172.607 175.800 -0.688 0.000 1.176 401 F CA -2.480 55.073 58.000 -0.745 0.000 0.977 401 F CB 1.684 40.555 39.000 -0.215 0.000 1.242 401 F HN 0.386 nan 8.300 nan 0.000 0.465 402 P HA 0.233 nan 4.420 nan 0.000 0.267 402 P C -0.263 176.878 177.300 -0.265 0.000 1.200 402 P CA 0.053 62.721 63.100 -0.721 0.000 0.772 402 P CB 0.732 31.668 31.700 -1.273 0.000 0.855 403 G N 0.841 109.555 108.800 -0.143 0.000 2.488 403 G HA2 0.318 4.278 3.960 0.001 0.000 0.318 403 G HA3 0.318 4.278 3.960 0.001 0.000 0.318 403 G C 0.189 174.908 174.900 -0.302 0.000 1.188 403 G CA -0.562 44.447 45.100 -0.150 0.000 0.944 403 G HN 0.564 nan 8.290 nan 0.000 0.495 404 Y N -1.037 119.045 120.300 -0.362 0.000 2.333 404 Y HA 0.076 4.627 4.550 0.001 0.000 0.290 404 Y C 2.400 177.986 175.900 -0.524 0.000 1.144 404 Y CA 0.989 58.757 58.100 -0.554 0.000 1.228 404 Y CB -0.714 37.042 38.460 -1.173 0.000 0.985 404 Y HN 0.353 nan 8.280 nan 0.000 0.542 405 A N 0.926 123.273 122.820 -0.790 0.000 2.172 405 A HA -0.104 4.217 4.320 0.001 0.000 0.216 405 A C 1.729 179.192 177.584 -0.203 0.000 1.154 405 A CA 1.050 52.723 52.037 -0.607 0.000 0.701 405 A CB -0.725 17.980 19.000 -0.492 0.000 0.789 405 A HN 0.652 nan 8.150 nan 0.000 0.465 406 E N -1.117 119.011 120.200 -0.120 0.000 2.416 406 E HA 0.259 4.609 4.350 0.001 0.000 0.189 406 E C 1.282 177.969 176.600 0.145 0.000 1.091 406 E CA 0.224 56.653 56.400 0.048 0.000 0.889 406 E CB -0.216 29.510 29.700 0.042 0.000 1.015 406 E HN 0.698 nan 8.360 nan 0.000 0.479 407 G N 0.558 109.463 108.800 0.175 0.000 2.284 407 G HA2 -0.386 3.575 3.960 0.001 0.000 0.247 407 G HA3 -0.386 3.575 3.960 0.001 0.000 0.247 407 G C 0.932 176.028 174.900 0.326 0.000 1.012 407 G CA -0.009 45.268 45.100 0.294 0.000 0.618 407 G HN 0.722 nan 8.290 nan 0.000 0.521 408 G N 0.783 109.781 108.800 0.331 0.000 2.660 408 G HA2 -0.297 3.664 3.960 0.001 0.000 0.321 408 G HA3 -0.297 3.664 3.960 0.001 0.000 0.321 408 G C 1.387 176.567 174.900 0.467 0.000 1.246 408 G CA 2.516 47.905 45.100 0.481 0.000 1.000 408 G HN 1.983 nan 8.290 nan 0.000 0.550 409 I N 0.003 120.701 120.570 0.214 0.000 3.684 409 I HA 0.277 4.447 4.170 0.001 0.000 0.304 409 I C 2.388 178.586 176.117 0.135 0.000 1.278 409 I CA 1.689 62.977 61.300 -0.019 0.000 1.272 409 I CB 0.033 37.570 38.000 -0.770 0.000 1.029 409 I HN 0.528 nan 8.210 nan 0.000 0.458 410 S N 1.394 117.213 115.700 0.199 0.000 2.406 410 S HA 0.136 4.606 4.470 0.001 0.000 0.224 410 S C 1.956 176.597 174.600 0.069 0.000 1.030 410 S CA 0.685 58.971 58.200 0.144 0.000 0.958 410 S CB -0.767 62.557 63.200 0.206 0.000 0.811 410 S HN 0.768 nan 8.310 nan 0.000 0.489 411 G N 1.791 110.702 108.800 0.184 0.000 2.187 411 G HA2 -0.275 3.685 3.960 0.001 0.000 0.261 411 G HA3 -0.275 3.685 3.960 0.001 0.000 0.261 411 G C -0.164 174.659 174.900 -0.128 0.000 1.000 411 G CA 0.412 45.519 45.100 0.012 0.000 0.718 411 G HN 0.695 nan 8.290 nan 0.000 0.519 412 D N -0.017 120.347 120.400 -0.059 0.000 2.346 412 D HA 0.223 4.864 4.640 0.001 0.000 0.267 412 D C 1.546 177.783 176.300 -0.106 0.000 1.320 412 D CA -0.032 53.888 54.000 -0.133 0.000 0.951 412 D CB -0.134 40.535 40.800 -0.219 0.000 1.079 412 D HN 0.187 nan 8.370 nan 0.000 0.509 413 C N 2.986 122.209 119.300 -0.128 0.000 2.472 413 C HA -0.034 4.427 4.460 0.001 0.000 0.278 413 C C 2.109 177.072 174.990 -0.044 0.000 1.447 413 C CA 0.236 59.199 59.018 -0.092 0.000 1.773 413 C CB -0.827 26.849 27.740 -0.107 0.000 1.793 413 C HN 0.739 nan 8.230 nan 0.000 0.544 414 E N 0.345 120.496 120.200 -0.081 0.000 2.330 414 E HA 0.031 4.382 4.350 0.001 0.000 0.200 414 E C 1.346 177.906 176.600 -0.067 0.000 0.922 414 E CA 0.362 56.726 56.400 -0.060 0.000 0.935 414 E CB 0.074 29.720 29.700 -0.090 0.000 0.917 414 E HN 0.528 nan 8.360 nan 0.000 0.491 415 N N 0.670 119.271 118.700 -0.166 0.000 2.203 415 N HA 0.056 4.797 4.740 0.001 0.000 0.207 415 N C -0.408 175.153 175.510 0.084 0.000 1.130 415 N CA 0.476 53.417 53.050 -0.181 0.000 0.861 415 N CB 1.388 39.456 38.487 -0.698 0.000 1.005 415 N HN 0.114 nan 8.380 nan 0.000 0.507 416 S N -1.384 114.387 115.700 0.119 0.000 2.671 416 S HA 0.635 5.105 4.470 0.001 0.000 0.277 416 S C -0.247 174.424 174.600 0.119 0.000 1.165 416 S CA -0.720 57.625 58.200 0.241 0.000 0.822 416 S CB 1.654 65.034 63.200 0.300 0.000 1.150 416 S HN -0.045 nan 8.310 nan 0.000 0.479 417 A N 0.037 122.921 122.820 0.107 0.000 2.411 417 A HA 0.694 5.014 4.320 0.001 0.000 0.251 417 A C 1.742 179.436 177.584 0.184 0.000 1.317 417 A CA 0.406 52.526 52.037 0.137 0.000 0.904 417 A CB -1.403 17.711 19.000 0.190 0.000 0.993 417 A HN 1.350 nan 8.150 nan 0.000 0.504 418 A N 0.084 122.976 122.820 0.120 0.000 1.883 418 A HA 0.022 4.342 4.320 0.001 0.000 0.217 418 A C 2.309 179.824 177.584 -0.115 0.000 1.186 418 A CA 1.865 53.940 52.037 0.063 0.000 0.624 418 A CB -1.193 17.823 19.000 0.027 0.000 0.822 418 A HN 0.849 nan 8.150 nan 0.000 0.444 419 G N -1.592 107.151 108.800 -0.096 0.000 2.499 419 G HA2 -0.252 3.709 3.960 0.001 0.000 0.221 419 G HA3 -0.252 3.709 3.960 0.001 0.000 0.221 419 G C 1.359 176.351 174.900 0.152 0.000 1.109 419 G CA 1.150 46.199 45.100 -0.085 0.000 0.749 419 G HN 0.485 nan 8.290 nan 0.000 0.568 420 F N 0.536 120.457 119.950 -0.049 0.000 2.084 420 F HA 0.110 4.638 4.527 0.001 0.000 0.296 420 F C 2.293 178.033 175.800 -0.100 0.000 1.111 420 F CA 2.214 60.106 58.000 -0.181 0.000 1.224 420 F CB 0.183 38.807 39.000 -0.625 0.000 0.991 420 F HN 0.185 nan 8.300 nan 0.000 0.471 421 K N -3.204 117.141 120.400 -0.092 0.000 2.929 421 K HA -0.031 4.290 4.320 0.001 0.000 0.188 421 K C 1.830 178.417 176.600 -0.022 0.000 1.654 421 K CA 0.132 56.342 56.287 -0.129 0.000 1.349 421 K CB -0.870 31.361 32.500 -0.448 0.000 1.879 421 K HN 0.062 nan 8.250 nan 0.000 0.626 422 F N 2.756 122.663 119.950 -0.071 0.000 2.095 422 F HA -0.094 4.433 4.527 0.001 0.000 0.298 422 F C 2.026 177.707 175.800 -0.198 0.000 1.104 422 F CA 2.105 60.058 58.000 -0.078 0.000 1.232 422 F CB -0.538 38.440 39.000 -0.038 0.000 0.987 422 F HN 0.200 nan 8.300 nan 0.000 0.475 423 A N -0.207 122.399 122.820 -0.355 0.000 1.903 423 A HA -0.285 4.035 4.320 0.001 0.000 0.219 423 A C 2.169 179.491 177.584 -0.436 0.000 1.191 423 A CA 2.057 53.832 52.037 -0.436 0.000 0.638 423 A CB -1.894 16.674 19.000 -0.721 0.000 0.823 423 A HN 0.671 nan 8.150 nan 0.000 0.451 424 W N -0.776 120.446 121.300 -0.131 0.000 2.421 424 W HA -0.073 4.588 4.660 0.001 0.000 0.270 424 W C 2.518 178.897 176.519 -0.234 0.000 1.233 424 W CA 0.826 58.071 57.345 -0.166 0.000 1.226 424 W CB -0.101 29.239 29.460 -0.199 0.000 1.121 424 W HN 0.249 nan 8.180 nan 0.000 0.579 425 R N -0.931 119.450 120.500 -0.199 0.000 2.146 425 R HA 0.055 4.396 4.340 0.001 0.000 0.206 425 R C 2.031 178.025 176.300 -0.510 0.000 1.049 425 R CA 0.821 56.741 56.100 -0.300 0.000 1.029 425 R CB -0.475 29.662 30.300 -0.273 0.000 0.949 425 R HN 0.143 nan 8.270 nan 0.000 0.471 426 M N 0.039 119.114 119.600 -0.876 0.000 2.254 426 M HA 0.060 4.540 4.480 0.001 0.000 0.265 426 M C -0.384 175.312 176.300 -1.006 0.000 1.066 426 M CA 1.572 56.198 55.300 -1.124 0.000 1.123 426 M CB 0.380 31.965 32.600 -1.692 0.000 1.388 426 M HN -0.177 nan 8.290 nan 0.000 0.425 427 F N 0.045 119.808 119.950 -0.311 0.000 2.480 427 F HA 0.311 4.838 4.527 0.001 0.000 0.329 427 F C 0.601 176.271 175.800 -0.215 0.000 1.091 427 F CA -1.009 56.842 58.000 -0.247 0.000 0.972 427 F CB 1.033 39.896 39.000 -0.228 0.000 1.150 427 F HN 0.129 nan 8.300 nan 0.000 0.467 428 D N -0.731 119.612 120.400 -0.095 0.000 2.433 428 D HA 0.181 4.822 4.640 0.001 0.000 0.211 428 D C 1.456 177.672 176.300 -0.139 0.000 1.114 428 D CA 0.193 54.123 54.000 -0.116 0.000 0.837 428 D CB 0.302 41.017 40.800 -0.142 0.000 0.984 428 D HN 0.788 nan 8.370 nan 0.000 0.505 429 G N 0.714 109.369 108.800 -0.242 0.000 2.258 429 G HA2 -0.388 3.572 3.960 0.001 0.000 0.274 429 G HA3 -0.388 3.572 3.960 0.001 0.000 0.274 429 G C 0.800 175.625 174.900 -0.125 0.000 1.021 429 G CA 1.119 46.113 45.100 -0.177 0.000 0.798 429 G HN 0.495 nan 8.290 nan 0.000 0.507 430 K N -2.446 117.759 120.400 -0.325 0.000 2.735 430 K HA 0.133 4.453 4.320 0.001 0.000 0.197 430 K C 2.370 178.966 176.600 -0.007 0.000 1.468 430 K CA 0.895 57.151 56.287 -0.051 0.000 1.109 430 K CB 0.127 32.599 32.500 -0.045 0.000 1.732 430 K HN 0.358 nan 8.250 nan 0.000 0.541 431 T N -2.119 112.311 114.554 -0.207 0.000 2.999 431 T HA 0.089 4.439 4.350 0.001 0.000 0.247 431 T C 0.804 175.458 174.700 -0.077 0.000 1.012 431 T CA 0.166 62.240 62.100 -0.042 0.000 1.048 431 T CB 0.598 69.430 68.868 -0.060 0.000 1.020 431 T HN -0.026 nan 8.240 nan 0.000 0.478 432 T N 1.334 115.676 114.554 -0.354 0.000 2.841 432 T HA 0.670 5.020 4.350 0.001 0.000 0.283 432 T C -1.921 172.620 174.700 -0.264 0.000 1.000 432 T CA -0.773 61.275 62.100 -0.087 0.000 0.977 432 T CB 0.559 69.430 68.868 0.005 0.000 0.979 432 T HN 0.187 nan 8.240 nan 0.000 0.446 433 F N 4.408 124.547 119.950 0.315 0.000 2.563 433 F HA 0.586 5.113 4.527 0.001 0.000 0.316 433 F C -2.188 173.455 175.800 -0.262 0.000 1.076 433 F CA -2.412 55.617 58.000 0.049 0.000 0.921 433 F CB 1.483 40.486 39.000 0.005 0.000 1.209 433 F HN 0.364 nan 8.300 nan 0.000 0.462 434 P HA 0.171 nan 4.420 nan 0.000 0.274 434 P C -0.831 176.318 177.300 -0.253 0.000 1.256 434 P CA -0.561 62.062 63.100 -0.795 0.000 0.795 434 P CB 0.938 32.095 31.700 -0.905 0.000 1.038 435 S N 0.988 116.578 115.700 -0.183 0.000 2.426 435 S HA 0.494 4.965 4.470 0.001 0.000 0.236 435 S C -2.615 171.916 174.600 -0.115 0.000 1.368 435 S CA -1.773 56.375 58.200 -0.087 0.000 1.154 435 S CB -0.561 62.629 63.200 -0.017 0.000 1.037 435 S HN 0.147 nan 8.310 nan 0.000 0.481 436 P HA 0.344 nan 4.420 nan 0.000 0.279 436 P C -1.066 176.168 177.300 -0.109 0.000 1.252 436 P CA -0.534 62.491 63.100 -0.126 0.000 0.811 436 P CB 1.050 32.687 31.700 -0.105 0.000 1.035 437 S N 1.066 116.688 115.700 -0.129 0.000 2.519 437 S HA 0.284 4.755 4.470 0.001 0.000 0.309 437 S C 0.671 175.209 174.600 -0.103 0.000 1.100 437 S CA -0.672 57.461 58.200 -0.112 0.000 1.059 437 S CB -0.067 63.042 63.200 -0.151 0.000 1.008 437 S HN 0.449 nan 8.310 nan 0.000 0.478 438 N N 5.584 124.246 118.700 -0.063 0.000 2.336 438 N HA 0.098 4.839 4.740 0.001 0.000 0.189 438 N C 0.852 176.343 175.510 -0.032 0.000 1.113 438 N CA 0.142 53.173 53.050 -0.032 0.000 0.858 438 N CB -0.089 38.401 38.487 0.005 0.000 0.970 438 N HN 0.595 nan 8.380 nan 0.000 0.471 439 L N -0.845 120.314 121.223 -0.106 0.000 2.467 439 L HA 0.199 4.540 4.340 0.001 0.000 0.213 439 L C 0.476 177.190 176.870 -0.261 0.000 1.053 439 L CA 0.064 54.789 54.840 -0.192 0.000 0.847 439 L CB -0.168 41.751 42.059 -0.234 0.000 1.075 439 L HN 0.022 nan 8.230 nan 0.000 0.479 440 N N 1.332 119.847 118.700 -0.309 0.000 3.245 440 N HA 0.063 4.803 4.740 0.001 0.000 0.296 440 N C -0.648 174.740 175.510 -0.204 0.000 1.254 440 N CA 0.372 53.239 53.050 -0.304 0.000 1.190 440 N CB 0.043 38.258 38.487 -0.453 0.000 1.460 440 N HN 0.039 nan 8.380 nan 0.000 0.538 441 T N -1.019 113.460 114.554 -0.126 0.000 2.853 441 T HA 0.255 4.606 4.350 0.001 0.000 0.311 441 T C 0.927 175.628 174.700 0.001 0.000 1.307 441 T CA -0.476 61.577 62.100 -0.079 0.000 1.019 441 T CB 0.898 69.730 68.868 -0.060 0.000 1.264 441 T HN 0.111 nan 8.240 nan 0.000 0.497 442 S N 1.373 117.090 115.700 0.028 0.000 2.387 442 S HA -0.109 4.361 4.470 0.001 0.000 0.230 442 S C 2.098 176.822 174.600 0.207 0.000 1.035 442 S CA 1.694 60.010 58.200 0.194 0.000 1.014 442 S CB -0.475 62.760 63.200 0.059 0.000 0.836 442 S HN 0.827 nan 8.310 nan 0.000 0.466 443 A N 0.756 123.635 122.820 0.098 0.000 2.206 443 A HA 0.419 4.739 4.320 0.001 0.000 0.211 443 A C 1.422 179.114 177.584 0.181 0.000 1.158 443 A CA 0.880 52.989 52.037 0.120 0.000 0.761 443 A CB -0.522 18.524 19.000 0.076 0.000 0.801 443 A HN 0.491 nan 8.150 nan 0.000 0.473 444 G N -0.934 107.933 108.800 0.110 0.000 3.182 444 G HA2 0.452 4.412 3.960 0.001 0.000 0.167 444 G HA3 0.452 4.412 3.960 0.001 0.000 0.167 444 G C -0.174 174.622 174.900 -0.174 0.000 1.537 444 G CA 0.045 45.121 45.100 -0.040 0.000 1.046 444 G HN 0.424 nan 8.290 nan 0.000 0.580 445 Q N -0.444 119.143 119.800 -0.355 0.000 2.289 445 Q HA 0.432 4.772 4.340 0.001 0.000 0.270 445 Q C -1.576 174.435 176.000 0.018 0.000 1.038 445 Q CA -0.914 54.795 55.803 -0.157 0.000 0.812 445 Q CB 1.722 30.238 28.738 -0.371 0.000 1.300 445 Q HN 0.915 nan 8.270 nan 0.000 0.427 446 H N 3.224 122.345 119.070 0.085 0.000 3.008 446 H HA 0.687 5.244 4.556 0.001 0.000 0.354 446 H C -1.289 174.123 175.328 0.141 0.000 1.252 446 H CA -0.861 55.219 56.048 0.054 0.000 1.117 446 H CB 1.373 31.158 29.762 0.039 0.000 1.857 446 H HN 0.739 nan 8.280 nan 0.000 0.547 447 I N -1.922 118.473 120.570 -0.293 0.000 2.934 447 I HA 0.584 4.755 4.170 0.001 0.000 0.306 447 I C -3.189 172.570 176.117 -0.596 0.000 1.110 447 I CA -2.922 57.980 61.300 -0.663 0.000 1.019 447 I CB 2.901 40.499 38.000 -0.670 0.000 1.227 447 I HN 0.175 nan 8.210 nan 0.000 0.434 448 P HA 0.239 nan 4.420 nan 0.000 0.276 448 P C 0.119 177.216 177.300 -0.339 0.000 1.235 448 P CA -0.356 62.442 63.100 -0.504 0.000 0.772 448 P CB 1.055 32.409 31.700 -0.576 0.000 0.871 449 R N 3.717 124.121 120.500 -0.160 0.000 2.117 449 R HA -0.126 4.214 4.340 0.001 0.000 0.243 449 R C 1.439 177.661 176.300 -0.130 0.000 1.143 449 R CA 1.520 57.549 56.100 -0.118 0.000 0.968 449 R CB -0.605 29.668 30.300 -0.046 0.000 0.863 449 R HN 0.451 nan 8.270 nan 0.000 0.444 450 L N 0.223 121.384 121.223 -0.103 0.000 2.362 450 L HA -0.072 4.268 4.340 0.001 0.000 0.219 450 L C 1.193 177.903 176.870 -0.266 0.000 1.134 450 L CA 0.944 55.735 54.840 -0.080 0.000 0.807 450 L CB 0.006 42.093 42.059 0.047 0.000 0.927 450 L HN 0.058 nan 8.230 nan 0.000 0.447 451 K N -0.410 119.720 120.400 -0.450 0.000 2.564 451 K HA 0.300 4.620 4.320 0.001 0.000 0.205 451 K C 1.370 177.515 176.600 -0.758 0.000 1.053 451 K CA -0.043 55.795 56.287 -0.750 0.000 1.072 451 K CB 0.751 32.514 32.500 -1.229 0.000 0.822 451 K HN 0.195 nan 8.250 nan 0.000 0.497 452 I N 1.717 121.918 120.570 -0.615 0.000 2.163 452 I HA -0.225 3.945 4.170 0.001 0.000 0.243 452 I C -0.853 174.869 176.117 -0.657 0.000 1.085 452 I CA 1.495 62.430 61.300 -0.609 0.000 1.347 452 I CB -1.057 36.680 38.000 -0.439 0.000 1.044 452 I HN 0.045 nan 8.210 nan 0.000 0.408 453 P HA -0.173 nan 4.420 nan 0.000 0.215 453 P C 1.246 178.238 177.300 -0.512 0.000 1.153 453 P CA 1.421 64.122 63.100 -0.666 0.000 0.853 453 P CB 0.038 31.270 31.700 -0.781 0.000 0.788 454 E N -1.341 118.541 120.200 -0.530 0.000 2.106 454 E HA -0.116 4.235 4.350 0.001 0.000 0.192 454 E C 2.088 178.496 176.600 -0.320 0.000 0.984 454 E CA 0.896 57.054 56.400 -0.403 0.000 0.806 454 E CB -1.393 28.017 29.700 -0.482 0.000 0.750 454 E HN 0.228 nan 8.360 nan 0.000 0.458 455 C N 0.227 119.265 119.300 -0.437 0.000 2.453 455 C HA -0.039 4.421 4.460 0.001 0.000 0.277 455 C C 2.508 177.361 174.990 -0.229 0.000 1.262 455 C CA 0.287 59.098 59.018 -0.345 0.000 1.718 455 C CB -0.802 26.447 27.740 -0.819 0.000 2.031 455 C HN 0.380 nan 8.230 nan 0.000 0.480 456 I N 0.525 120.873 120.570 -0.371 0.000 2.110 456 I HA -0.257 3.913 4.170 0.001 0.000 0.236 456 I C 2.566 178.379 176.117 -0.507 0.000 1.068 456 I CA 1.832 62.923 61.300 -0.348 0.000 1.333 456 I CB -0.455 37.319 38.000 -0.377 0.000 1.054 456 I HN 0.324 nan 8.210 nan 0.000 0.402 457 M N 0.066 119.336 119.600 -0.551 0.000 2.200 457 M HA -0.050 4.430 4.480 0.001 0.000 0.265 457 M C 2.175 178.251 176.300 -0.374 0.000 1.066 457 M CA 1.833 56.717 55.300 -0.694 0.000 1.127 457 M CB -0.634 31.766 32.600 -0.333 0.000 1.379 457 M HN 0.337 nan 8.290 nan 0.000 0.420 458 G N -0.957 107.723 108.800 -0.201 0.000 2.603 458 G HA2 0.244 4.204 3.960 0.001 0.000 0.214 458 G HA3 0.244 4.204 3.960 0.001 0.000 0.214 458 G C 1.189 176.099 174.900 0.017 0.000 1.140 458 G CA 0.528 45.596 45.100 -0.053 0.000 0.800 458 G HN 0.611 nan 8.290 nan 0.000 0.533 459 G N -0.624 108.197 108.800 0.034 0.000 2.168 459 G HA2 -0.277 3.683 3.960 0.001 0.000 0.257 459 G HA3 -0.277 3.683 3.960 0.001 0.000 0.257 459 G C 0.132 175.145 174.900 0.189 0.000 0.997 459 G CA 1.016 46.198 45.100 0.138 0.000 0.708 459 G HN 0.850 nan 8.290 nan 0.000 0.520 460 K N -1.586 118.990 120.400 0.293 0.000 2.589 460 K HA 0.658 4.978 4.320 0.001 0.000 0.265 460 K C -1.942 174.959 176.600 0.503 0.000 0.935 460 K CA -0.940 55.545 56.287 0.330 0.000 0.850 460 K CB 1.217 33.809 32.500 0.152 0.000 1.372 460 K HN 0.327 nan 8.250 nan 0.000 0.420 461 F N 1.450 121.624 119.950 0.373 0.000 2.713 461 F HA 0.452 4.979 4.527 0.001 0.000 0.311 461 F C -1.770 174.334 175.800 0.507 0.000 1.141 461 F CA -0.387 57.840 58.000 0.378 0.000 0.939 461 F CB 2.153 41.338 39.000 0.308 0.000 1.325 461 F HN 0.412 nan 8.300 nan 0.000 0.453 462 Q N 3.120 122.808 119.800 -0.187 0.000 2.289 462 Q HA 0.464 4.804 4.340 0.001 0.000 0.270 462 Q C -1.967 174.037 176.000 0.006 0.000 1.038 462 Q CA -0.388 55.383 55.803 -0.053 0.000 0.812 462 Q CB 2.764 31.437 28.738 -0.108 0.000 1.300 462 Q HN 0.795 nan 8.270 nan 0.000 0.427 463 W N 1.059 122.397 121.300 0.063 0.000 2.940 463 W HA 0.744 5.405 4.660 0.001 0.000 0.394 463 W C -1.479 175.250 176.519 0.350 0.000 1.155 463 W CA -0.797 56.668 57.345 0.200 0.000 1.165 463 W CB 0.455 30.132 29.460 0.363 0.000 1.492 463 W HN 0.327 nan 8.180 nan 0.000 0.593 464 S N 1.189 117.236 115.700 0.578 0.000 2.454 464 S HA 0.731 5.201 4.470 0.001 0.000 0.306 464 S C 0.073 175.145 174.600 0.788 0.000 1.100 464 S CA 0.175 58.704 58.200 0.548 0.000 1.087 464 S CB 0.837 64.325 63.200 0.480 0.000 1.019 464 S HN 1.601 nan 8.310 nan 0.000 0.480 465 G N 2.126 111.399 108.800 0.788 0.000 2.785 465 G HA2 -0.158 3.802 3.960 0.001 0.000 0.685 465 G HA3 -0.158 3.802 3.960 0.001 0.000 0.685 465 G C -0.825 174.348 174.900 0.454 0.000 1.480 465 G CA -0.649 44.866 45.100 0.692 0.000 0.915 465 G HN 0.753 nan 8.290 nan 0.000 0.576 466 K N 1.325 121.801 120.400 0.127 0.000 2.483 466 K HA 0.585 4.906 4.320 0.001 0.000 0.256 466 K C 1.373 177.958 176.600 -0.025 0.000 0.961 466 K CA 0.525 56.696 56.287 -0.194 0.000 0.873 466 K CB 0.625 32.703 32.500 -0.703 0.000 1.107 466 K HN 2.385 nan 8.250 nan 0.000 0.432 467 G N 3.430 112.277 108.800 0.077 0.000 2.672 467 G HA2 -0.336 3.624 3.960 0.001 0.000 0.324 467 G HA3 -0.336 3.624 3.960 0.001 0.000 0.324 467 G C -0.462 174.606 174.900 0.280 0.000 1.286 467 G CA 0.219 45.396 45.100 0.127 0.000 1.004 467 G HN 0.546 nan 8.290 nan 0.000 0.548 468 F N 2.460 122.384 119.950 -0.042 0.000 2.405 468 F HA 0.592 5.119 4.527 0.001 0.000 0.358 468 F C 1.181 176.922 175.800 -0.097 0.000 1.151 468 F CA -1.006 56.870 58.000 -0.207 0.000 1.161 468 F CB 0.478 39.243 39.000 -0.392 0.000 1.245 468 F HN 0.682 nan 8.300 nan 0.000 0.545 469 A N 2.557 125.489 122.820 0.188 0.000 3.091 469 A HA 0.482 4.802 4.320 0.001 0.000 0.264 469 A C 1.527 179.085 177.584 -0.044 0.000 1.673 469 A CA 0.139 52.242 52.037 0.110 0.000 1.362 469 A CB -0.911 18.138 19.000 0.081 0.000 1.137 469 A HN 0.818 nan 8.150 nan 0.000 0.617 470 G N -0.193 108.612 108.800 0.007 0.000 2.985 470 G HA2 0.239 4.199 3.960 0.001 0.000 0.209 470 G HA3 0.239 4.199 3.960 0.001 0.000 0.209 470 G C 1.116 176.102 174.900 0.145 0.000 1.165 470 G CA 0.751 45.855 45.100 0.006 0.000 0.776 470 G HN 0.677 nan 8.290 nan 0.000 0.541 471 G N -0.208 108.686 108.800 0.158 0.000 2.421 471 G HA2 0.095 4.056 3.960 0.001 0.000 0.216 471 G HA3 0.095 4.056 3.960 0.001 0.000 0.216 471 G C 0.301 175.022 174.900 -0.299 0.000 1.171 471 G CA 1.064 46.211 45.100 0.078 0.000 0.775 471 G HN 0.457 nan 8.290 nan 0.000 0.543 472 D N -3.014 116.929 120.400 -0.762 0.000 2.623 472 D HA 0.280 4.920 4.640 0.001 0.000 0.241 472 D C 1.326 177.390 176.300 -0.393 0.000 1.241 472 D CA -0.774 52.900 54.000 -0.542 0.000 0.788 472 D CB 0.650 41.076 40.800 -0.623 0.000 1.413 472 D HN -0.088 nan 8.370 nan 0.000 0.429 473 I N 0.365 120.797 120.570 -0.231 0.000 2.145 473 I HA -0.272 3.899 4.170 0.001 0.000 0.244 473 I C 1.594 177.617 176.117 -0.156 0.000 1.075 473 I CA 1.287 62.449 61.300 -0.229 0.000 1.332 473 I CB -0.230 37.697 38.000 -0.122 0.000 1.033 473 I HN 0.240 nan 8.210 nan 0.000 0.410 474 S N -1.308 114.369 115.700 -0.038 0.000 2.603 474 S HA -0.022 4.448 4.470 0.001 0.000 0.220 474 S C 1.507 176.191 174.600 0.140 0.000 0.967 474 S CA 0.045 58.278 58.200 0.054 0.000 0.920 474 S CB -0.506 62.738 63.200 0.072 0.000 0.773 474 S HN 0.499 nan 8.310 nan 0.000 0.529 475 H N 2.135 121.207 119.070 0.003 0.000 2.422 475 H HA -0.142 4.415 4.556 0.001 0.000 0.298 475 H C 2.414 177.805 175.328 0.106 0.000 1.098 475 H CA 1.378 57.460 56.048 0.056 0.000 1.315 475 H CB 0.034 29.820 29.762 0.039 0.000 1.382 475 H HN 0.609 nan 8.280 nan 0.000 0.523 476 Q N 0.985 120.874 119.800 0.149 0.000 2.437 476 Q HA -0.072 4.268 4.340 0.001 0.000 0.210 476 Q C 1.632 177.790 176.000 0.263 0.000 0.972 476 Q CA 0.851 56.756 55.803 0.171 0.000 0.903 476 Q CB -0.092 28.600 28.738 -0.077 0.000 0.967 476 Q HN 0.506 nan 8.270 nan 0.000 0.486 477 L N 0.120 121.387 121.223 0.073 0.000 2.509 477 L HA 0.105 4.445 4.340 0.001 0.000 0.222 477 L C 1.380 178.224 176.870 -0.043 0.000 1.123 477 L CA -0.230 54.497 54.840 -0.188 0.000 0.856 477 L CB -0.438 41.298 42.059 -0.538 0.000 0.985 477 L HN 0.357 nan 8.230 nan 0.000 0.456 478 H N 2.276 121.366 119.070 0.033 0.000 2.928 478 H HA 0.044 4.600 4.556 0.001 0.000 0.338 478 H C -0.237 175.043 175.328 -0.080 0.000 1.047 478 H CA 0.405 56.420 56.048 -0.055 0.000 1.435 478 H CB 0.773 30.495 29.762 -0.066 0.000 1.428 478 H HN 0.099 nan 8.280 nan 0.000 0.590 479 Q N 4.522 124.001 119.800 -0.534 0.000 2.243 479 Q HA 0.220 4.560 4.340 0.001 0.000 0.252 479 Q C -0.908 174.764 176.000 -0.546 0.000 0.909 479 Q CA -0.304 55.304 55.803 -0.326 0.000 0.922 479 Q CB 1.275 29.874 28.738 -0.232 0.000 1.215 479 Q HN 0.502 nan 8.270 nan 0.000 0.427 480 Y N -0.200 119.853 120.300 -0.412 0.000 2.576 480 Y HA 0.384 4.935 4.550 0.001 0.000 0.346 480 Y C 0.266 175.567 175.900 -0.997 0.000 1.018 480 Y CA -0.991 56.709 58.100 -0.666 0.000 1.050 480 Y CB 1.885 39.829 38.460 -0.861 0.000 1.280 480 Y HN 0.526 nan 8.280 nan 0.000 0.474 481 E N 0.474 120.357 120.200 -0.528 0.000 2.416 481 E HA 0.537 4.887 4.350 0.001 0.000 0.273 481 E C -2.198 174.471 176.600 0.113 0.000 0.935 481 E CA -1.136 55.112 56.400 -0.253 0.000 0.784 481 E CB 3.201 32.857 29.700 -0.072 0.000 1.301 481 E HN 0.574 nan 8.360 nan 0.000 0.454 482 Y N 1.464 121.928 120.300 0.273 0.000 2.386 482 Y HA 0.403 4.953 4.550 0.001 0.000 0.334 482 Y C -2.840 173.184 175.900 0.207 0.000 1.002 482 Y CA -2.317 55.978 58.100 0.326 0.000 1.068 482 Y CB 2.247 40.988 38.460 0.468 0.000 1.203 482 Y HN 0.395 nan 8.280 nan 0.000 0.443 483 P HA 0.245 nan 4.420 nan 0.000 0.275 483 P C -0.704 176.595 177.300 -0.001 0.000 1.228 483 P CA -0.093 62.711 63.100 -0.493 0.000 0.786 483 P CB 1.239 32.667 31.700 -0.454 0.000 0.927 484 A N 4.775 127.704 122.820 0.182 0.000 2.466 484 A HA 0.308 4.629 4.320 0.001 0.000 0.238 484 A C -2.009 175.715 177.584 0.233 0.000 1.074 484 A CA -1.200 50.981 52.037 0.239 0.000 0.774 484 A CB -1.573 17.618 19.000 0.317 0.000 1.015 484 A HN 0.419 nan 8.150 nan 0.000 0.498 485 P HA 0.139 nan 4.420 nan 0.000 0.258 485 P C 1.117 178.436 177.300 0.032 0.000 1.172 485 P CA 2.184 65.332 63.100 0.081 0.000 0.762 485 P CB 0.312 32.048 31.700 0.060 0.000 0.764 486 G N 1.555 110.334 108.800 -0.035 0.000 2.304 486 G HA2 -0.306 3.654 3.960 0.001 0.000 0.252 486 G HA3 -0.306 3.654 3.960 0.001 0.000 0.252 486 G C 0.146 174.922 174.900 -0.208 0.000 1.014 486 G CA -0.210 44.797 45.100 -0.155 0.000 0.619 486 G HN 0.450 nan 8.290 nan 0.000 0.525 487 Y N 0.881 121.207 120.300 0.042 0.000 2.344 487 Y HA 0.637 5.187 4.550 0.001 0.000 0.330 487 Y C 1.136 177.063 175.900 0.046 0.000 1.330 487 Y CA 0.307 58.442 58.100 0.059 0.000 1.479 487 Y CB 1.030 39.539 38.460 0.082 0.000 1.428 487 Y HN 0.203 nan 8.280 nan 0.000 0.544 488 S N 0.020 115.891 115.700 0.284 0.000 2.593 488 S HA 0.397 4.867 4.470 0.001 0.000 0.297 488 S C -0.761 173.911 174.600 0.120 0.000 1.112 488 S CA -0.970 57.330 58.200 0.166 0.000 1.043 488 S CB 0.555 63.883 63.200 0.214 0.000 1.054 488 S HN 0.502 nan 8.310 nan 0.000 0.516 489 K N 2.116 122.528 120.400 0.021 0.000 2.230 489 K HA 0.226 4.546 4.320 0.001 0.000 0.253 489 K C -0.027 176.649 176.600 0.127 0.000 1.008 489 K CA -0.465 55.855 56.287 0.054 0.000 0.910 489 K CB 0.206 32.697 32.500 -0.014 0.000 0.994 489 K HN 0.489 nan 8.250 nan 0.000 0.495 490 I N 2.741 123.437 120.570 0.210 0.000 2.588 490 I HA -0.038 4.132 4.170 0.001 0.000 0.283 490 I C 1.196 177.346 176.117 0.055 0.000 1.119 490 I CA 0.595 61.958 61.300 0.105 0.000 1.419 490 I CB 0.653 38.656 38.000 0.004 0.000 1.394 490 I HN 0.598 nan 8.210 nan 0.000 0.562 491 K N 4.750 125.196 120.400 0.076 0.000 2.474 491 K HA 0.320 4.641 4.320 0.001 0.000 0.202 491 K C 0.111 176.831 176.600 0.200 0.000 1.248 491 K CA 0.333 56.670 56.287 0.083 0.000 0.946 491 K CB 1.091 33.597 32.500 0.011 0.000 1.102 491 K HN 0.570 nan 8.250 nan 0.000 0.541 492 M N 0.241 119.986 119.600 0.242 0.000 2.457 492 M HA 0.406 4.886 4.480 0.001 0.000 0.300 492 M C -1.843 174.680 176.300 0.371 0.000 1.141 492 M CA -0.682 54.817 55.300 0.332 0.000 0.901 492 M CB 2.200 35.038 32.600 0.396 0.000 1.687 492 M HN -0.035 nan 8.290 nan 0.000 0.449 493 F N 5.464 125.508 119.950 0.156 0.000 2.445 493 F HA 0.384 4.912 4.527 0.001 0.000 0.348 493 F C -1.618 174.305 175.800 0.205 0.000 1.125 493 F CA -0.695 57.407 58.000 0.171 0.000 0.983 493 F CB 1.040 40.106 39.000 0.110 0.000 1.198 493 F HN 0.698 nan 8.300 nan 0.000 0.436 494 W N 9.153 130.689 121.300 0.393 0.000 2.316 494 W HA 0.326 4.986 4.660 0.001 0.000 0.339 494 W C -0.986 175.568 176.519 0.058 0.000 1.002 494 W CA -1.048 56.382 57.345 0.141 0.000 1.465 494 W CB 0.710 30.289 29.460 0.198 0.000 1.300 494 W HN 0.496 nan 8.180 nan 0.000 0.378 495 K N 3.967 124.427 120.400 0.101 0.000 2.174 495 K HA 0.100 4.421 4.320 0.001 0.000 0.275 495 K C -1.317 175.433 176.600 0.250 0.000 1.015 495 K CA -0.609 55.642 56.287 -0.060 0.000 0.933 495 K CB 1.705 33.960 32.500 -0.408 0.000 1.025 495 K HN 0.310 nan 8.250 nan 0.000 0.463 496 Y N 1.461 121.793 120.300 0.053 0.000 2.388 496 Y HA 0.328 4.878 4.550 0.001 0.000 0.328 496 Y C 0.127 175.991 175.900 -0.061 0.000 0.963 496 Y CA 0.391 58.525 58.100 0.056 0.000 1.240 496 Y CB 0.886 39.363 38.460 0.028 0.000 1.118 496 Y HN 0.924 nan 8.280 nan 0.000 0.484 497 G N 2.870 111.599 108.800 -0.119 0.000 2.795 497 G HA2 0.198 4.159 3.960 0.001 0.000 0.664 497 G HA3 0.198 4.159 3.960 0.001 0.000 0.664 497 G C -0.130 174.671 174.900 -0.165 0.000 1.381 497 G CA -0.360 44.663 45.100 -0.127 0.000 0.853 497 G HN 1.511 nan 8.290 nan 0.000 0.545 498 G N -0.765 107.926 108.800 -0.183 0.000 4.101 498 G HA2 0.722 4.682 3.960 0.001 0.000 0.262 498 G HA3 0.722 4.682 3.960 0.001 0.000 0.262 498 G C -1.327 173.441 174.900 -0.220 0.000 1.181 498 G CA 0.552 45.510 45.100 -0.236 0.000 0.640 498 G HN 0.741 nan 8.290 nan 0.000 0.467 499 P HA 0.057 nan 4.420 nan 0.000 0.268 499 P C 0.870 178.079 177.300 -0.152 0.000 1.248 499 P CA 0.275 63.270 63.100 -0.175 0.000 0.851 499 P CB 0.366 31.993 31.700 -0.122 0.000 1.238 500 H N 0.276 119.177 119.070 -0.283 0.000 2.460 500 H HA -0.057 4.499 4.556 0.001 0.000 0.297 500 H C 1.895 176.888 175.328 -0.558 0.000 1.103 500 H CA 0.469 56.224 56.048 -0.488 0.000 1.292 500 H CB -0.393 28.986 29.762 -0.637 0.000 1.376 500 H HN 0.099 nan 8.280 nan 0.000 0.531 501 L N -0.326 120.721 121.223 -0.292 0.000 2.265 501 L HA -0.087 4.253 4.340 0.001 0.000 0.215 501 L C 2.451 179.150 176.870 -0.285 0.000 1.117 501 L CA 1.052 55.686 54.840 -0.344 0.000 0.782 501 L CB 0.041 41.837 42.059 -0.438 0.000 0.914 501 L HN 0.340 nan 8.230 nan 0.000 0.441 502 G N -2.082 106.571 108.800 -0.244 0.000 3.062 502 G HA2 -0.008 3.952 3.960 0.001 0.000 0.228 502 G HA3 -0.008 3.952 3.960 0.001 0.000 0.228 502 G C 1.247 176.021 174.900 -0.209 0.000 1.094 502 G CA 0.738 45.700 45.100 -0.230 0.000 0.782 502 G HN 0.359 nan 8.290 nan 0.000 0.541 503 T N -3.165 111.254 114.554 -0.224 0.000 2.975 503 T HA 0.399 4.749 4.350 0.001 0.000 0.257 503 T C 1.313 175.853 174.700 -0.268 0.000 1.003 503 T CA -0.234 61.732 62.100 -0.222 0.000 0.932 503 T CB 0.345 69.079 68.868 -0.222 0.000 1.087 503 T HN -0.091 nan 8.240 nan 0.000 0.512 504 M N 2.784 122.167 119.600 -0.361 0.000 2.311 504 M HA 0.475 4.955 4.480 0.001 0.000 0.214 504 M C 0.428 176.600 176.300 -0.214 0.000 0.868 504 M CA -0.131 54.945 55.300 -0.374 0.000 1.766 504 M CB 0.135 32.303 32.600 -0.719 0.000 1.121 504 M HN 0.303 nan 8.290 nan 0.000 0.870 505 T N -2.142 112.335 114.554 -0.128 0.000 2.863 505 T HA 0.699 5.050 4.350 0.001 0.000 0.285 505 T C 0.128 174.817 174.700 -0.018 0.000 1.009 505 T CA -0.320 61.749 62.100 -0.053 0.000 0.989 505 T CB 1.524 70.382 68.868 -0.016 0.000 1.004 505 T HN 0.885 nan 8.240 nan 0.000 0.455 506 A N 1.922 124.718 122.820 -0.041 0.000 2.550 506 A HA -0.206 4.115 4.320 0.001 0.000 0.298 506 A C 1.684 179.257 177.584 -0.018 0.000 1.485 506 A CA 1.306 53.316 52.037 -0.045 0.000 0.780 506 A CB -2.611 16.364 19.000 -0.041 0.000 1.045 506 A HN 1.987 nan 8.150 nan 0.000 0.423 507 T N -1.919 112.612 114.554 -0.037 0.000 2.969 507 T HA -0.239 4.112 4.350 0.001 0.000 0.271 507 T C 1.451 176.146 174.700 -0.008 0.000 1.127 507 T CA 1.503 63.599 62.100 -0.006 0.000 1.102 507 T CB -0.482 68.273 68.868 -0.188 0.000 0.855 507 T HN 0.611 nan 8.240 nan 0.000 0.536 508 N N 2.208 120.880 118.700 -0.047 0.000 2.272 508 N HA -0.128 4.613 4.740 0.001 0.000 0.185 508 N C 2.098 177.593 175.510 -0.025 0.000 1.014 508 N CA 1.530 54.560 53.050 -0.034 0.000 0.870 508 N CB -0.377 38.103 38.487 -0.011 0.000 0.975 508 N HN 0.783 nan 8.380 nan 0.000 0.433 509 R N -0.631 119.847 120.500 -0.036 0.000 2.152 509 R HA -0.106 4.234 4.340 0.001 0.000 0.232 509 R C 1.288 177.456 176.300 -0.220 0.000 1.117 509 R CA 1.033 57.057 56.100 -0.127 0.000 0.981 509 R CB -0.766 29.418 30.300 -0.193 0.000 0.870 509 R HN 0.254 nan 8.270 nan 0.000 0.451 510 Y N 1.350 121.512 120.300 -0.230 0.000 2.373 510 Y HA 0.056 4.606 4.550 0.001 0.000 0.293 510 Y C 2.777 178.468 175.900 -0.348 0.000 1.129 510 Y CA 1.125 59.055 58.100 -0.283 0.000 1.226 510 Y CB -0.148 38.180 38.460 -0.219 0.000 1.000 510 Y HN 0.236 nan 8.280 nan 0.000 0.549 511 A N 0.230 122.950 122.820 -0.167 0.000 1.897 511 A HA -0.138 4.182 4.320 0.001 0.000 0.215 511 A C 2.130 179.651 177.584 -0.105 0.000 1.181 511 A CA 1.352 53.221 52.037 -0.281 0.000 0.620 511 A CB -0.346 18.615 19.000 -0.065 0.000 0.821 511 A HN 0.354 nan 8.150 nan 0.000 0.443 512 K N 0.060 120.430 120.400 -0.050 0.000 2.097 512 K HA -0.149 4.171 4.320 0.001 0.000 0.205 512 K C 2.148 178.726 176.600 -0.037 0.000 1.050 512 K CA 1.664 57.953 56.287 0.003 0.000 0.938 512 K CB -0.480 32.018 32.500 -0.003 0.000 0.718 512 K HN 0.799 nan 8.250 nan 0.000 0.442 513 M N -0.904 118.581 119.600 -0.191 0.000 2.202 513 M HA -0.163 4.317 4.480 0.001 0.000 0.262 513 M C 1.412 177.615 176.300 -0.163 0.000 1.063 513 M CA 1.696 56.847 55.300 -0.248 0.000 1.097 513 M CB -0.801 31.525 32.600 -0.456 0.000 1.382 513 M HN 0.004 nan 8.290 nan 0.000 0.413 514 Y N 2.362 122.624 120.300 -0.064 0.000 2.333 514 Y HA -0.141 4.410 4.550 0.001 0.000 0.290 514 Y C 2.691 178.658 175.900 0.111 0.000 1.144 514 Y CA 1.810 59.919 58.100 0.015 0.000 1.228 514 Y CB -0.472 37.955 38.460 -0.056 0.000 0.985 514 Y HN 0.535 nan 8.280 nan 0.000 0.542 515 T N -3.258 111.449 114.554 0.254 0.000 3.107 515 T HA -0.040 4.310 4.350 0.001 0.000 0.249 515 T C 0.476 175.274 174.700 0.164 0.000 1.096 515 T CA -0.137 62.089 62.100 0.211 0.000 1.012 515 T CB -0.437 68.544 68.868 0.189 0.000 0.977 515 T HN 0.239 nan 8.240 nan 0.000 0.527 516 H N 3.256 122.368 119.070 0.070 0.000 2.886 516 H HA 0.050 4.607 4.556 0.001 0.000 0.329 516 H C 0.459 175.830 175.328 0.071 0.000 1.044 516 H CA 0.448 56.523 56.048 0.046 0.000 1.456 516 H CB 0.962 30.724 29.762 0.001 0.000 1.464 516 H HN 0.330 nan 8.280 nan 0.000 0.573 517 D N 2.108 122.352 120.400 -0.259 0.000 2.378 517 D HA -0.150 4.490 4.640 0.001 0.000 0.227 517 D C 1.464 177.777 176.300 0.022 0.000 1.012 517 D CA 0.707 54.661 54.000 -0.076 0.000 0.905 517 D CB -0.167 40.577 40.800 -0.094 0.000 0.895 517 D HN 0.391 nan 8.370 nan 0.000 0.532 518 S N -0.511 115.282 115.700 0.155 0.000 2.496 518 S HA 0.025 4.495 4.470 0.001 0.000 0.224 518 S C 1.060 175.772 174.600 0.187 0.000 0.996 518 S CA -0.451 57.882 58.200 0.222 0.000 0.927 518 S CB -0.413 63.005 63.200 0.363 0.000 0.774 518 S HN 0.252 nan 8.310 nan 0.000 0.524 519 L N 2.604 123.955 121.223 0.214 0.000 2.401 519 L HA 0.267 4.607 4.340 0.001 0.000 0.283 519 L C 1.008 178.019 176.870 0.234 0.000 1.151 519 L CA -0.175 54.788 54.840 0.204 0.000 0.942 519 L CB 0.473 42.657 42.059 0.208 0.000 1.283 519 L HN 0.373 nan 8.230 nan 0.000 0.442 520 E N 2.887 123.237 120.200 0.250 0.000 2.208 520 E HA -0.065 4.285 4.350 0.001 0.000 0.193 520 E C -0.351 176.533 176.600 0.474 0.000 0.988 520 E CA 0.787 57.376 56.400 0.314 0.000 0.828 520 E CB 0.383 30.248 29.700 0.275 0.000 0.763 520 E HN 0.306 nan 8.360 nan 0.000 0.478 521 F N -0.154 119.908 119.950 0.186 0.000 2.650 521 F HA 0.312 4.840 4.527 0.001 0.000 0.310 521 F C -1.777 174.071 175.800 0.080 0.000 1.112 521 F CA -1.198 56.860 58.000 0.097 0.000 0.986 521 F CB 1.531 40.614 39.000 0.138 0.000 1.285 521 F HN -0.418 nan 8.300 nan 0.000 0.440 522 V N 5.518 125.008 119.914 -0.707 0.000 2.577 522 V HA 0.684 4.805 4.120 0.001 0.000 0.303 522 V C -1.128 174.420 176.094 -0.910 0.000 1.042 522 V CA -0.833 61.144 62.300 -0.537 0.000 0.872 522 V CB 1.721 33.456 31.823 -0.147 0.000 0.998 522 V HN 0.633 nan 8.190 nan 0.000 0.423 523 V N 2.887 122.380 119.914 -0.701 0.000 2.604 523 V HA 0.678 4.799 4.120 0.001 0.000 0.305 523 V C -0.070 175.828 176.094 -0.327 0.000 1.043 523 V CA -0.449 61.481 62.300 -0.617 0.000 0.888 523 V CB 2.130 33.473 31.823 -0.800 0.000 0.995 523 V HN 0.845 nan 8.190 nan 0.000 0.429 524 S N 3.390 118.945 115.700 -0.241 0.000 2.596 524 S HA 0.400 4.870 4.470 0.001 0.000 0.318 524 S C -0.651 173.905 174.600 -0.073 0.000 1.097 524 S CA -0.538 57.578 58.200 -0.140 0.000 1.080 524 S CB 1.077 64.158 63.200 -0.198 0.000 0.991 524 S HN 0.824 nan 8.310 nan 0.000 0.471 525 Q N 3.946 123.776 119.800 0.050 0.000 2.465 525 Q HA 0.560 4.900 4.340 0.001 0.000 0.237 525 Q C -0.963 174.918 176.000 -0.198 0.000 1.051 525 Q CA -0.199 55.623 55.803 0.031 0.000 0.874 525 Q CB 0.402 29.314 28.738 0.290 0.000 1.207 525 Q HN 0.697 nan 8.270 nan 0.000 0.508 526 S N 2.706 118.283 115.700 -0.205 0.000 2.732 526 S HA 0.501 4.971 4.470 0.001 0.000 0.293 526 S C 0.588 175.022 174.600 -0.277 0.000 1.159 526 S CA -0.745 57.297 58.200 -0.263 0.000 0.847 526 S CB 0.982 64.070 63.200 -0.187 0.000 1.169 526 S HN 0.651 nan 8.310 nan 0.000 0.501 527 I N -0.668 119.699 120.570 -0.338 0.000 2.810 527 I HA 0.191 4.361 4.170 0.001 0.000 0.262 527 I C -0.126 175.606 176.117 -0.641 0.000 1.131 527 I CA 0.632 61.566 61.300 -0.610 0.000 1.453 527 I CB 0.263 37.620 38.000 -1.071 0.000 1.161 527 I HN 0.311 nan 8.210 nan 0.000 0.444 528 W N 0.265 121.505 121.300 -0.099 0.000 2.666 528 W HA 0.280 4.940 4.660 0.001 0.000 0.334 528 W C -0.793 175.677 176.519 -0.082 0.000 1.051 528 W CA -1.080 56.225 57.345 -0.068 0.000 1.224 528 W CB 1.351 30.762 29.460 -0.082 0.000 1.405 528 W HN -0.192 nan 8.180 nan 0.000 0.513 529 F N 4.559 124.498 119.950 -0.018 0.000 2.566 529 F HA 0.131 4.658 4.527 0.001 0.000 0.349 529 F C 0.413 176.081 175.800 -0.220 0.000 1.245 529 F CA 0.237 58.067 58.000 -0.282 0.000 1.169 529 F CB -0.282 38.362 39.000 -0.593 0.000 1.470 529 F HN 0.332 nan 8.300 nan 0.000 0.634 530 E N 2.287 122.252 120.200 -0.393 0.000 2.449 530 E HA 0.618 4.969 4.350 0.001 0.000 0.278 530 E C 0.507 176.937 176.600 -0.284 0.000 1.059 530 E CA -0.778 55.436 56.400 -0.309 0.000 0.854 530 E CB 0.602 30.227 29.700 -0.126 0.000 1.465 530 E HN 0.550 nan 8.360 nan 0.000 0.462 531 G N 1.420 110.121 108.800 -0.165 0.000 2.665 531 G HA2 -0.450 3.510 3.960 0.001 0.000 0.326 531 G HA3 -0.450 3.510 3.960 0.001 0.000 0.326 531 G C 0.695 175.573 174.900 -0.036 0.000 1.231 531 G CA 0.968 46.020 45.100 -0.079 0.000 0.992 531 G HN 0.701 nan 8.290 nan 0.000 0.549 532 E N 0.330 120.488 120.200 -0.070 0.000 2.371 532 E HA 0.185 4.535 4.350 0.001 0.000 0.194 532 E C 2.667 179.203 176.600 -0.106 0.000 1.012 532 E CA 0.551 56.957 56.400 0.010 0.000 0.860 532 E CB 0.046 29.699 29.700 -0.078 0.000 0.811 532 E HN 0.328 nan 8.360 nan 0.000 0.502 533 V N 1.602 121.350 119.914 -0.277 0.000 2.317 533 V HA -0.214 3.907 4.120 0.001 0.000 0.251 533 V C -1.047 174.750 176.094 -0.495 0.000 1.065 533 V CA 1.721 63.781 62.300 -0.400 0.000 1.049 533 V CB -1.347 30.183 31.823 -0.487 0.000 0.651 533 V HN 0.209 nan 8.190 nan 0.000 0.450 534 P HA 0.033 nan 4.420 nan 0.000 0.258 534 P C 0.570 177.646 177.300 -0.372 0.000 1.319 534 P CA 0.942 63.712 63.100 -0.549 0.000 0.785 534 P CB -0.348 30.910 31.700 -0.736 0.000 1.252 535 F N -1.326 118.430 119.950 -0.323 0.000 2.724 535 F HA 0.344 4.871 4.527 0.001 0.000 0.306 535 F C 1.487 177.091 175.800 -0.327 0.000 1.100 535 F CA -0.391 57.364 58.000 -0.409 0.000 1.255 535 F CB -0.107 38.267 39.000 -1.042 0.000 1.072 535 F HN -0.194 nan 8.300 nan 0.000 0.589 536 A N 0.239 123.004 122.820 -0.091 0.000 2.313 536 A HA 0.213 4.534 4.320 0.001 0.000 0.261 536 A C 0.831 178.401 177.584 -0.024 0.000 1.090 536 A CA -0.171 51.794 52.037 -0.121 0.000 0.807 536 A CB 0.235 19.116 19.000 -0.197 0.000 1.055 536 A HN 0.184 nan 8.150 nan 0.000 0.492 537 D N -0.598 119.650 120.400 -0.253 0.000 2.277 537 D HA 0.135 4.775 4.640 0.001 0.000 0.209 537 D C 0.062 176.283 176.300 -0.131 0.000 0.970 537 D CA 1.097 54.889 54.000 -0.347 0.000 0.874 537 D CB 0.263 40.461 40.800 -1.003 0.000 0.982 537 D HN 0.288 nan 8.370 nan 0.000 0.504 538 I N 1.377 121.835 120.570 -0.187 0.000 2.569 538 I HA 0.338 4.509 4.170 0.001 0.000 0.290 538 I C -0.552 175.483 176.117 -0.137 0.000 1.088 538 I CA -0.588 60.673 61.300 -0.065 0.000 1.047 538 I CB 2.333 40.346 38.000 0.021 0.000 1.237 538 I HN -0.244 nan 8.210 nan 0.000 0.421 539 I N 6.426 126.928 120.570 -0.114 0.000 2.406 539 I HA 0.444 4.614 4.170 0.001 0.000 0.290 539 I C -0.666 175.334 176.117 -0.195 0.000 0.999 539 I CA -0.615 60.583 61.300 -0.170 0.000 1.124 539 I CB 2.020 39.888 38.000 -0.220 0.000 1.289 539 I HN 0.228 nan 8.210 nan 0.000 0.441 540 L N 7.725 128.854 121.223 -0.156 0.000 2.325 540 L HA 0.498 4.838 4.340 0.001 0.000 0.281 540 L C -2.564 174.268 176.870 -0.063 0.000 1.004 540 L CA -1.917 52.824 54.840 -0.166 0.000 0.823 540 L CB 1.584 43.692 42.059 0.082 0.000 1.236 540 L HN 0.252 nan 8.230 nan 0.000 0.415 541 P HA 0.237 nan 4.420 nan 0.000 0.280 541 P C -0.710 176.654 177.300 0.107 0.000 1.300 541 P CA -0.097 63.005 63.100 0.003 0.000 0.785 541 P CB 1.241 32.936 31.700 -0.008 0.000 0.874 542 A N 3.294 126.077 122.820 -0.062 0.000 2.282 542 A HA 0.643 4.963 4.320 0.001 0.000 0.319 542 A C 0.394 177.880 177.584 -0.163 0.000 1.121 542 A CA -0.445 51.536 52.037 -0.094 0.000 0.836 542 A CB 0.452 19.336 19.000 -0.192 0.000 1.146 542 A HN 0.705 nan 8.150 nan 0.000 0.494 543 C N 0.167 119.400 119.300 -0.113 0.000 2.349 543 C HA 0.882 5.342 4.460 0.001 0.000 0.361 543 C C 0.982 175.904 174.990 -0.114 0.000 1.189 543 C CA 0.015 58.960 59.018 -0.122 0.000 2.155 543 C CB 0.383 28.098 27.740 -0.041 0.000 2.336 543 C HN 1.126 nan 8.230 nan 0.000 0.540 544 T N -0.080 114.432 114.554 -0.069 0.000 2.754 544 T HA 0.185 4.535 4.350 0.001 0.000 0.286 544 T C 1.185 175.973 174.700 0.147 0.000 0.997 544 T CA 0.149 62.303 62.100 0.091 0.000 0.982 544 T CB 0.369 69.428 68.868 0.318 0.000 1.027 544 T HN 0.900 nan 8.240 nan 0.000 0.529 545 N N 0.016 118.832 118.700 0.194 0.000 2.520 545 N HA -0.092 4.649 4.740 0.001 0.000 0.185 545 N C 0.989 176.475 175.510 -0.039 0.000 1.068 545 N CA 0.738 53.828 53.050 0.066 0.000 0.911 545 N CB -0.547 37.957 38.487 0.027 0.000 0.961 545 N HN 0.613 nan 8.380 nan 0.000 0.446 546 F N 0.968 120.930 119.950 0.021 0.000 2.780 546 F HA 0.163 4.691 4.527 0.001 0.000 0.299 546 F C 1.239 176.991 175.800 -0.081 0.000 1.146 546 F CA 0.360 58.347 58.000 -0.022 0.000 1.428 546 F CB 0.189 39.209 39.000 0.033 0.000 1.115 546 F HN 0.065 nan 8.300 nan 0.000 0.583 547 E N 0.234 120.478 120.200 0.072 0.000 2.558 547 E HA 0.177 4.527 4.350 0.001 0.000 0.205 547 E C 0.152 176.709 176.600 -0.071 0.000 1.006 547 E CA -0.211 56.184 56.400 -0.008 0.000 0.961 547 E CB 0.419 30.129 29.700 0.016 0.000 1.044 547 E HN 0.342 nan 8.360 nan 0.000 0.465 548 R N -1.015 119.407 120.500 -0.130 0.000 2.733 548 R HA 0.422 4.763 4.340 0.001 0.000 0.272 548 R C -1.648 174.533 176.300 -0.198 0.000 1.029 548 R CA -1.045 54.983 56.100 -0.120 0.000 0.888 548 R CB 0.547 30.873 30.300 0.044 0.000 1.251 548 R HN -0.109 nan 8.270 nan 0.000 0.464 549 W N 0.947 122.310 121.300 0.106 0.000 2.351 549 W HA 0.481 5.141 4.660 0.001 0.000 0.311 549 W C 0.030 176.623 176.519 0.123 0.000 1.168 549 W CA 0.463 57.890 57.345 0.135 0.000 1.200 549 W CB 1.113 30.683 29.460 0.183 0.000 1.221 549 W HN 0.459 nan 8.180 nan 0.000 0.519 550 D N 1.550 122.170 120.400 0.366 0.000 2.768 550 D HA 0.528 5.168 4.640 0.001 0.000 0.327 550 D C -1.672 174.804 176.300 0.292 0.000 1.302 550 D CA -0.728 53.420 54.000 0.247 0.000 0.897 550 D CB 2.193 43.069 40.800 0.127 0.000 1.420 550 D HN 0.358 nan 8.370 nan 0.000 0.494 551 I N 0.249 120.937 120.570 0.197 0.000 2.827 551 I HA 0.576 4.747 4.170 0.001 0.000 0.298 551 I C -1.444 174.786 176.117 0.188 0.000 1.235 551 I CA -0.060 61.427 61.300 0.311 0.000 1.021 551 I CB 1.698 39.982 38.000 0.473 0.000 1.259 551 I HN 0.599 nan 8.210 nan 0.000 0.427 552 S N 3.945 119.825 115.700 0.301 0.000 2.643 552 S HA 0.460 4.930 4.470 0.001 0.000 0.266 552 S C -1.463 173.298 174.600 0.268 0.000 1.130 552 S CA -0.898 57.456 58.200 0.256 0.000 0.817 552 S CB 1.656 64.864 63.200 0.014 0.000 1.107 552 S HN 0.832 nan 8.310 nan 0.000 0.471 553 E N 0.174 120.576 120.200 0.337 0.000 2.266 553 E HA 0.520 4.871 4.350 0.001 0.000 0.268 553 E C -1.276 175.687 176.600 0.606 0.000 0.879 553 E CA -0.954 55.615 56.400 0.282 0.000 0.762 553 E CB 1.022 30.785 29.700 0.106 0.000 1.199 553 E HN 0.523 nan 8.360 nan 0.000 0.422 554 F N 3.939 124.076 119.950 0.311 0.000 2.473 554 F HA 0.028 4.556 4.527 0.001 0.000 0.405 554 F C 1.016 177.022 175.800 0.344 0.000 0.988 554 F CA 1.226 59.388 58.000 0.270 0.000 1.096 554 F CB -0.771 38.340 39.000 0.185 0.000 0.944 554 F HN 0.774 nan 8.300 nan 0.000 0.530 555 A N 3.730 126.993 122.820 0.739 0.000 2.910 555 A HA -0.338 3.983 4.320 0.001 0.000 0.267 555 A C 0.891 178.891 177.584 0.693 0.000 1.310 555 A CA 1.121 53.502 52.037 0.574 0.000 0.934 555 A CB -2.531 16.645 19.000 0.293 0.000 1.057 555 A HN 0.784 nan 8.150 nan 0.000 0.742 556 N N -0.312 118.829 118.700 0.734 0.000 2.402 556 N HA 0.280 5.021 4.740 0.001 0.000 0.259 556 N C 0.880 176.538 175.510 0.247 0.000 1.167 556 N CA 0.375 53.719 53.050 0.490 0.000 0.949 556 N CB 0.381 39.150 38.487 0.469 0.000 1.212 556 N HN 0.628 nan 8.380 nan 0.000 0.493 557 C N 2.725 122.091 119.300 0.111 0.000 2.520 557 C HA 0.263 4.724 4.460 0.001 0.000 0.291 557 C C 1.420 176.137 174.990 -0.455 0.000 1.364 557 C CA 1.130 59.884 59.018 -0.441 0.000 1.781 557 C CB -0.968 26.809 27.740 0.062 0.000 2.171 557 C HN 0.883 nan 8.230 nan 0.000 0.516 558 S N -1.179 114.405 115.700 -0.194 0.000 3.368 558 S HA 0.103 4.573 4.470 0.001 0.000 0.632 558 S C 1.071 175.462 174.600 -0.348 0.000 2.690 558 S CA 2.172 60.224 58.200 -0.247 0.000 3.124 558 S CB -1.648 61.501 63.200 -0.084 0.000 0.317 558 S HN 2.607 nan 8.310 nan 0.000 1.617 559 G N 0.491 109.024 108.800 -0.445 0.000 2.620 559 G HA2 -0.370 3.590 3.960 0.001 0.000 0.315 559 G HA3 -0.370 3.590 3.960 0.001 0.000 0.315 559 G C 0.664 175.260 174.900 -0.507 0.000 1.179 559 G CA 1.173 46.039 45.100 -0.390 0.000 0.971 559 G HN 1.404 nan 8.290 nan 0.000 0.544 560 Y N 1.303 121.548 120.300 -0.091 0.000 2.578 560 Y HA 0.460 5.011 4.550 0.001 0.000 0.297 560 Y C 1.414 177.245 175.900 -0.115 0.000 1.176 560 Y CA 0.508 58.548 58.100 -0.099 0.000 1.315 560 Y CB 0.225 38.626 38.460 -0.099 0.000 1.031 560 Y HN 0.261 nan 8.280 nan 0.000 0.524 561 I N 0.381 120.906 120.570 -0.074 0.000 2.948 561 I HA 0.243 4.413 4.170 0.001 0.000 0.308 561 I C -2.758 173.134 176.117 -0.375 0.000 1.478 561 I CA -1.980 59.221 61.300 -0.165 0.000 0.843 561 I CB 0.694 38.665 38.000 -0.048 0.000 2.100 561 I HN -0.237 nan 8.210 nan 0.000 0.625 562 P HA -0.052 nan 4.420 nan 0.000 0.261 562 P C -0.116 176.895 177.300 -0.483 0.000 1.173 562 P CA 0.706 63.294 63.100 -0.854 0.000 0.760 562 P CB 0.227 31.151 31.700 -1.293 0.000 0.783 563 D N 1.435 121.654 120.400 -0.302 0.000 2.751 563 D HA -0.214 4.426 4.640 0.001 0.000 0.233 563 D C 0.642 176.445 176.300 -0.829 0.000 1.149 563 D CA 1.133 54.814 54.000 -0.532 0.000 0.682 563 D CB -1.754 38.863 40.800 -0.306 0.000 1.068 563 D HN 0.670 nan 8.370 nan 0.000 0.429 564 N N -0.457 117.967 118.700 -0.460 0.000 2.571 564 N HA -0.169 4.571 4.740 0.001 0.000 0.189 564 N C 1.809 177.187 175.510 -0.219 0.000 1.154 564 N CA 0.392 53.240 53.050 -0.336 0.000 0.907 564 N CB -0.440 37.944 38.487 -0.171 0.000 0.977 564 N HN 0.556 nan 8.380 nan 0.000 0.449 565 Y N 0.113 120.460 120.300 0.077 0.000 2.569 565 Y HA -0.095 4.455 4.550 0.001 0.000 0.293 565 Y C 1.925 177.856 175.900 0.052 0.000 1.144 565 Y CA 0.318 58.479 58.100 0.102 0.000 1.321 565 Y CB -0.763 37.806 38.460 0.182 0.000 0.982 565 Y HN 0.317 nan 8.280 nan 0.000 0.558 566 Q N 0.921 120.615 119.800 -0.178 0.000 2.557 566 Q HA -0.003 4.337 4.340 0.001 0.000 0.217 566 Q C 1.244 177.223 176.000 -0.036 0.000 0.978 566 Q CA 0.770 56.571 55.803 -0.003 0.000 0.950 566 Q CB -0.417 28.291 28.738 -0.050 0.000 0.991 566 Q HN 0.638 nan 8.270 nan 0.000 0.533 567 L N 0.036 121.216 121.223 -0.072 0.000 2.341 567 L HA 0.068 4.408 4.340 0.001 0.000 0.214 567 L C 0.667 177.469 176.870 -0.114 0.000 1.115 567 L CA -0.197 54.585 54.840 -0.097 0.000 0.820 567 L CB 0.225 42.216 42.059 -0.114 0.000 0.944 567 L HN 0.349 nan 8.230 nan 0.000 0.452 568 C N -0.438 118.785 119.300 -0.129 0.000 2.335 568 C HA 0.200 4.661 4.460 0.001 0.000 0.363 568 C C 1.750 176.775 174.990 0.059 0.000 1.198 568 C CA -0.920 57.990 59.018 -0.180 0.000 2.279 568 C CB 0.996 28.454 27.740 -0.469 0.000 2.334 568 C HN 0.340 nan 8.230 nan 0.000 0.559 569 N N 0.043 118.837 118.700 0.156 0.000 2.409 569 N HA 0.011 4.751 4.740 0.001 0.000 0.179 569 N C -0.184 175.374 175.510 0.080 0.000 1.032 569 N CA 1.038 54.251 53.050 0.272 0.000 0.898 569 N CB -0.077 38.567 38.487 0.262 0.000 0.971 569 N HN 0.737 nan 8.380 nan 0.000 0.441 570 H N -1.276 118.000 119.070 0.343 0.000 3.012 570 H HA 0.385 4.941 4.556 0.001 0.000 0.367 570 H C -0.464 174.996 175.328 0.220 0.000 1.211 570 H CA -0.700 55.530 56.048 0.303 0.000 1.139 570 H CB 1.414 31.375 29.762 0.332 0.000 1.838 570 H HN -0.213 nan 8.280 nan 0.000 0.550 571 R N 1.603 122.238 120.500 0.225 0.000 2.210 571 R HA 0.384 4.725 4.340 0.001 0.000 0.338 571 R C -0.952 175.405 176.300 0.094 0.000 1.062 571 R CA -0.475 55.696 56.100 0.119 0.000 0.902 571 R CB 0.609 30.874 30.300 -0.058 0.000 1.050 571 R HN 0.214 nan 8.270 nan 0.000 0.461 572 V N 6.319 126.373 119.914 0.235 0.000 2.378 572 V HA 0.380 4.501 4.120 0.001 0.000 0.288 572 V C 0.165 176.367 176.094 0.179 0.000 1.016 572 V CA -0.611 61.815 62.300 0.211 0.000 0.840 572 V CB 1.600 33.618 31.823 0.326 0.000 0.994 572 V HN 0.632 nan 8.190 nan 0.000 0.431 573 I N 4.853 125.509 120.570 0.142 0.000 2.377 573 I HA 0.631 4.802 4.170 0.001 0.000 0.293 573 I C 0.155 176.511 176.117 0.398 0.000 0.987 573 I CA 0.028 61.385 61.300 0.096 0.000 1.185 573 I CB 1.964 39.892 38.000 -0.121 0.000 1.341 573 I HN 0.746 nan 8.210 nan 0.000 0.455 574 S N 6.057 122.000 115.700 0.404 0.000 2.564 574 S HA 0.617 5.087 4.470 0.001 0.000 0.274 574 S C -0.946 173.904 174.600 0.417 0.000 1.124 574 S CA -0.911 57.534 58.200 0.409 0.000 0.869 574 S CB 2.109 65.431 63.200 0.204 0.000 1.105 574 S HN 0.469 nan 8.310 nan 0.000 0.472 575 L N 1.740 123.030 121.223 0.112 0.000 2.319 575 L HA 0.395 4.735 4.340 0.001 0.000 0.280 575 L C -0.097 176.828 176.870 0.092 0.000 1.099 575 L CA 0.245 55.153 54.840 0.112 0.000 0.828 575 L CB 0.642 42.529 42.059 -0.287 0.000 1.150 575 L HN 0.782 nan 8.230 nan 0.000 0.442 576 Q N 5.483 125.381 119.800 0.163 0.000 2.566 576 Q HA 0.437 4.778 4.340 0.001 0.000 0.221 576 Q C -0.010 175.989 176.000 -0.001 0.000 1.195 576 Q CA -0.488 55.327 55.803 0.021 0.000 0.967 576 Q CB 0.751 29.496 28.738 0.011 0.000 1.337 576 Q HN 0.859 nan 8.270 nan 0.000 0.553 577 A N 2.643 125.411 122.820 -0.086 0.000 2.498 577 A HA 0.010 4.330 4.320 0.001 0.000 0.239 577 A C 0.223 177.447 177.584 -0.600 0.000 1.068 577 A CA -0.054 51.826 52.037 -0.263 0.000 0.766 577 A CB 0.248 19.140 19.000 -0.180 0.000 1.003 577 A HN 0.633 nan 8.150 nan 0.000 0.497 578 K N 2.693 122.266 120.400 -1.379 0.000 2.228 578 K HA 0.193 4.513 4.320 0.001 0.000 0.284 578 K C 0.420 176.707 176.600 -0.523 0.000 1.088 578 K CA -0.402 55.271 56.287 -1.023 0.000 0.941 578 K CB -0.410 31.176 32.500 -1.524 0.000 1.158 578 K HN 0.711 nan 8.250 nan 0.000 0.438 579 C N 4.497 123.655 119.300 -0.237 0.000 2.457 579 C HA 0.052 4.512 4.460 0.001 0.000 0.278 579 C C 1.243 176.231 174.990 -0.003 0.000 1.309 579 C CA -0.135 58.847 59.018 -0.060 0.000 1.735 579 C CB -1.053 26.743 27.740 0.092 0.000 1.992 579 C HN 0.846 nan 8.230 nan 0.000 0.493 580 I N -3.209 117.363 120.570 0.003 0.000 3.191 580 I HA 0.550 4.721 4.170 0.001 0.000 0.313 580 I C -1.048 175.086 176.117 0.028 0.000 1.193 580 I CA -0.744 60.585 61.300 0.048 0.000 0.968 580 I CB 1.056 39.125 38.000 0.114 0.000 1.262 580 I HN -0.229 nan 8.210 nan 0.000 0.456 581 E N 2.173 122.407 120.200 0.057 0.000 2.390 581 E HA 0.331 4.682 4.350 0.001 0.000 0.261 581 E C -2.363 174.270 176.600 0.055 0.000 1.076 581 E CA -1.482 54.950 56.400 0.054 0.000 0.905 581 E CB 0.187 29.927 29.700 0.068 0.000 0.984 581 E HN 0.408 nan 8.360 nan 0.000 0.427 582 P HA -0.072 nan 4.420 nan 0.000 0.265 582 P C -0.480 176.852 177.300 0.054 0.000 1.187 582 P CA 0.193 63.315 63.100 0.037 0.000 0.766 582 P CB 0.430 32.151 31.700 0.037 0.000 0.820 583 V N 3.634 123.570 119.914 0.038 0.000 2.614 583 V HA 0.385 4.505 4.120 0.001 0.000 0.291 583 V C 1.356 177.478 176.094 0.047 0.000 1.049 583 V CA 1.141 63.475 62.300 0.058 0.000 1.038 583 V CB -0.057 31.793 31.823 0.044 0.000 0.980 583 V HN 1.056 nan 8.190 nan 0.000 0.481 584 G N 4.815 113.654 108.800 0.064 0.000 2.574 584 G HA2 -0.290 3.671 3.960 0.001 0.000 0.286 584 G HA3 -0.290 3.671 3.960 0.001 0.000 0.286 584 G C 0.388 175.361 174.900 0.122 0.000 1.212 584 G CA 0.592 45.737 45.100 0.075 0.000 0.979 584 G HN 0.728 nan 8.290 nan 0.000 0.557 585 E N 1.052 121.354 120.200 0.171 0.000 2.423 585 E HA 0.364 4.715 4.350 0.001 0.000 0.198 585 E C 1.137 177.968 176.600 0.386 0.000 1.038 585 E CA 0.413 56.986 56.400 0.289 0.000 1.011 585 E CB 0.058 29.965 29.700 0.346 0.000 1.118 585 E HN 0.658 nan 8.360 nan 0.000 0.451 586 S N 0.778 116.606 115.700 0.212 0.000 2.614 586 S HA 0.505 4.976 4.470 0.001 0.000 0.265 586 S C 0.137 174.819 174.600 0.137 0.000 1.303 586 S CA -0.629 57.690 58.200 0.198 0.000 1.000 586 S CB 0.916 64.136 63.200 0.034 0.000 0.935 586 S HN 0.239 nan 8.310 nan 0.000 0.551 587 M N -0.199 119.446 119.600 0.075 0.000 2.603 587 M HA 0.488 4.968 4.480 0.001 0.000 0.275 587 M C -0.490 175.791 176.300 -0.032 0.000 1.226 587 M CA -0.936 54.336 55.300 -0.046 0.000 0.870 587 M CB 1.676 34.124 32.600 -0.254 0.000 1.716 587 M HN 0.741 nan 8.290 nan 0.000 0.482 588 S N -0.216 115.487 115.700 0.005 0.000 2.563 588 S HA 0.052 4.522 4.470 0.001 0.000 0.284 588 S C 0.335 174.957 174.600 0.037 0.000 1.331 588 S CA 0.191 58.427 58.200 0.060 0.000 1.047 588 S CB 0.418 63.708 63.200 0.149 0.000 0.859 588 S HN 0.777 nan 8.310 nan 0.000 0.514 589 D N 0.846 121.281 120.400 0.057 0.000 2.149 589 D HA -0.162 4.478 4.640 0.001 0.000 0.198 589 D C 1.398 177.683 176.300 -0.024 0.000 0.990 589 D CA 1.690 55.666 54.000 -0.041 0.000 0.839 589 D CB -0.221 40.678 40.800 0.165 0.000 0.948 589 D HN 0.832 nan 8.370 nan 0.000 0.460 590 Y N 2.052 122.431 120.300 0.131 0.000 2.145 590 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 590 Y C 2.257 178.301 175.900 0.240 0.000 1.145 590 Y CA 1.483 59.758 58.100 0.292 0.000 1.148 590 Y CB 0.070 38.700 38.460 0.282 0.000 0.981 590 Y HN -0.199 nan 8.280 nan 0.000 0.507 591 E N 0.411 120.765 120.200 0.257 0.000 2.153 591 E HA -0.178 4.172 4.350 0.001 0.000 0.194 591 E C 2.320 178.844 176.600 -0.127 0.000 0.988 591 E CA 1.345 57.800 56.400 0.092 0.000 0.811 591 E CB -0.298 29.434 29.700 0.053 0.000 0.746 591 E HN 0.627 nan 8.360 nan 0.000 0.466 592 I N -0.185 120.259 120.570 -0.210 0.000 2.202 592 I HA -0.282 3.888 4.170 0.001 0.000 0.242 592 I C 2.174 178.199 176.117 -0.153 0.000 1.091 592 I CA 1.195 62.330 61.300 -0.275 0.000 1.368 592 I CB -0.387 37.476 38.000 -0.229 0.000 1.058 592 I HN 0.122 nan 8.210 nan 0.000 0.410 593 Y N 0.299 120.461 120.300 -0.230 0.000 2.293 593 Y HA -0.209 4.342 4.550 0.001 0.000 0.291 593 Y C 2.828 178.363 175.900 -0.608 0.000 1.137 593 Y CA 0.596 58.255 58.100 -0.733 0.000 1.202 593 Y CB -0.185 37.657 38.460 -1.030 0.000 0.990 593 Y HN 0.081 nan 8.280 nan 0.000 0.537 594 R N 0.464 120.882 120.500 -0.137 0.000 2.092 594 R HA -0.184 4.157 4.340 0.001 0.000 0.231 594 R C 2.161 178.491 176.300 0.051 0.000 1.119 594 R CA 1.234 57.380 56.100 0.077 0.000 0.970 594 R CB -0.381 30.008 30.300 0.150 0.000 0.864 594 R HN 0.322 nan 8.270 nan 0.000 0.440 595 L N 0.159 121.353 121.223 -0.047 0.000 2.056 595 L HA -0.059 4.281 4.340 0.001 0.000 0.207 595 L C 1.673 178.512 176.870 -0.051 0.000 1.078 595 L CA 1.707 56.490 54.840 -0.096 0.000 0.749 595 L CB -0.588 41.318 42.059 -0.256 0.000 0.901 595 L HN 0.147 nan 8.230 nan 0.000 0.433 596 F N -0.359 119.589 119.950 -0.003 0.000 2.186 596 F HA -0.136 4.391 4.527 0.001 0.000 0.299 596 F C 2.461 178.373 175.800 0.187 0.000 1.090 596 F CA 1.064 59.127 58.000 0.105 0.000 1.307 596 F CB -0.476 38.572 39.000 0.079 0.000 1.019 596 F HN 0.220 nan 8.300 nan 0.000 0.489 597 A N 0.019 123.032 122.820 0.323 0.000 1.902 597 A HA -0.247 4.073 4.320 0.001 0.000 0.217 597 A C 2.166 179.887 177.584 0.227 0.000 1.181 597 A CA 1.878 54.089 52.037 0.289 0.000 0.623 597 A CB -0.726 18.409 19.000 0.225 0.000 0.818 597 A HN 0.348 nan 8.150 nan 0.000 0.443 598 K N 0.022 120.532 120.400 0.183 0.000 2.032 598 K HA -0.170 4.150 4.320 0.001 0.000 0.209 598 K C 1.787 178.466 176.600 0.132 0.000 1.048 598 K CA 1.811 58.183 56.287 0.141 0.000 0.927 598 K CB -0.186 32.376 32.500 0.102 0.000 0.712 598 K HN 0.420 nan 8.250 nan 0.000 0.441 599 K N 0.209 120.696 120.400 0.144 0.000 2.439 599 K HA -0.005 4.315 4.320 0.001 0.000 0.197 599 K C 1.318 178.019 176.600 0.169 0.000 1.041 599 K CA 0.517 56.890 56.287 0.143 0.000 0.970 599 K CB 0.186 32.770 32.500 0.139 0.000 0.773 599 K HN 0.226 nan 8.250 nan 0.000 0.479 600 L N 0.461 121.803 121.223 0.198 0.000 2.700 600 L HA 0.113 4.453 4.340 0.001 0.000 0.234 600 L C 0.032 176.974 176.870 0.120 0.000 1.156 600 L CA -0.314 54.626 54.840 0.168 0.000 0.946 600 L CB -0.242 41.937 42.059 0.201 0.000 1.216 600 L HN 0.201 nan 8.230 nan 0.000 0.493 601 N N 1.546 120.318 118.700 0.120 0.000 2.735 601 N HA -0.236 4.505 4.740 0.001 0.000 0.248 601 N C 0.296 175.866 175.510 0.100 0.000 1.083 601 N CA 1.087 54.196 53.050 0.099 0.000 0.703 601 N CB -0.942 37.592 38.487 0.078 0.000 1.005 601 N HN 0.632 nan 8.380 nan 0.000 0.550 602 I N -4.239 116.409 120.570 0.129 0.000 4.026 602 I HA 0.252 4.423 4.170 0.001 0.000 0.324 602 I C 1.311 177.554 176.117 0.210 0.000 1.474 602 I CA -0.518 60.865 61.300 0.138 0.000 1.107 602 I CB 0.239 38.303 38.000 0.107 0.000 1.345 602 I HN 0.105 nan 8.210 nan 0.000 0.531 603 E N 2.322 122.649 120.200 0.211 0.000 2.097 603 E HA -0.317 4.034 4.350 0.001 0.000 0.196 603 E C 1.876 178.636 176.600 0.268 0.000 1.000 603 E CA 2.235 58.796 56.400 0.268 0.000 0.804 603 E CB 0.186 30.009 29.700 0.205 0.000 0.740 603 E HN 0.582 nan 8.360 nan 0.000 0.454 604 E N 0.243 120.556 120.200 0.188 0.000 2.038 604 E HA -0.216 4.134 4.350 0.001 0.000 0.195 604 E C 1.917 178.626 176.600 0.181 0.000 1.000 604 E CA 2.031 58.526 56.400 0.158 0.000 0.803 604 E CB -0.179 29.585 29.700 0.107 0.000 0.750 604 E HN 0.298 nan 8.360 nan 0.000 0.448 605 M N -0.573 119.132 119.600 0.175 0.000 2.159 605 M HA -0.007 4.474 4.480 0.001 0.000 0.263 605 M C 1.977 178.431 176.300 0.258 0.000 1.063 605 M CA 1.286 56.691 55.300 0.174 0.000 1.110 605 M CB -0.689 31.985 32.600 0.122 0.000 1.374 605 M HN 0.204 nan 8.290 nan 0.000 0.411 606 F N 0.571 120.626 119.950 0.176 0.000 2.098 606 F HA -0.145 4.383 4.527 0.001 0.000 0.294 606 F C 2.605 178.617 175.800 0.353 0.000 1.107 606 F CA 1.731 59.860 58.000 0.215 0.000 1.234 606 F CB -0.633 38.484 39.000 0.196 0.000 1.002 606 F HN 0.253 nan 8.300 nan 0.000 0.472 607 S N -0.778 115.009 115.700 0.145 0.000 2.439 607 S HA -0.014 4.456 4.470 0.001 0.000 0.224 607 S C 0.878 175.647 174.600 0.282 0.000 1.029 607 S CA 0.637 58.974 58.200 0.227 0.000 0.946 607 S CB -0.487 62.908 63.200 0.325 0.000 0.797 607 S HN 0.542 nan 8.310 nan 0.000 0.504 608 E N 0.519 120.840 120.200 0.201 0.000 2.586 608 E HA -0.184 4.167 4.350 0.001 0.000 0.259 608 E C 0.681 177.280 176.600 -0.002 0.000 1.107 608 E CA 0.258 56.721 56.400 0.104 0.000 0.754 608 E CB -2.226 27.526 29.700 0.086 0.000 1.335 608 E HN 1.034 nan 8.360 nan 0.000 0.411 609 G N 0.372 109.207 108.800 0.057 0.000 2.203 609 G HA2 -0.374 3.586 3.960 0.001 0.000 0.263 609 G HA3 -0.374 3.586 3.960 0.001 0.000 0.263 609 G C 0.015 174.893 174.900 -0.037 0.000 1.012 609 G CA 1.220 46.335 45.100 0.025 0.000 0.749 609 G HN 0.295 nan 8.290 nan 0.000 0.512 610 K N 0.745 121.105 120.400 -0.067 0.000 2.221 610 K HA 0.552 4.872 4.320 0.001 0.000 0.258 610 K C -0.214 176.410 176.600 0.040 0.000 0.944 610 K CA -0.616 55.544 56.287 -0.213 0.000 0.823 610 K CB 1.566 33.574 32.500 -0.820 0.000 1.113 610 K HN 0.298 nan 8.250 nan 0.000 0.431 611 D N 0.556 120.953 120.400 -0.004 0.000 2.506 611 D HA 0.059 4.700 4.640 0.001 0.000 0.272 611 D C 0.552 176.804 176.300 -0.080 0.000 1.214 611 D CA -0.543 53.501 54.000 0.073 0.000 1.067 611 D CB 0.522 41.373 40.800 0.085 0.000 1.117 611 D HN 0.500 nan 8.370 nan 0.000 0.578 612 E N -1.218 118.890 120.200 -0.153 0.000 2.070 612 E HA -0.172 4.178 4.350 0.001 0.000 0.197 612 E C 1.764 178.388 176.600 0.039 0.000 1.004 612 E CA 0.835 57.167 56.400 -0.112 0.000 0.805 612 E CB -0.156 29.564 29.700 0.034 0.000 0.744 612 E HN 0.262 nan 8.360 nan 0.000 0.451 613 L N 0.442 121.669 121.223 0.006 0.000 2.141 613 L HA -0.087 4.253 4.340 0.001 0.000 0.209 613 L C 2.092 178.849 176.870 -0.189 0.000 1.094 613 L CA 1.752 56.542 54.840 -0.083 0.000 0.763 613 L CB -0.747 41.120 42.059 -0.320 0.000 0.908 613 L HN 0.077 nan 8.230 nan 0.000 0.437 614 A N -1.794 120.902 122.820 -0.206 0.000 1.930 614 A HA -0.226 4.095 4.320 0.001 0.000 0.217 614 A C 2.124 179.521 177.584 -0.312 0.000 1.175 614 A CA 1.514 53.362 52.037 -0.316 0.000 0.627 614 A CB -1.143 17.651 19.000 -0.343 0.000 0.815 614 A HN 0.591 nan 8.150 nan 0.000 0.443 615 W N -0.759 120.422 121.300 -0.197 0.000 2.388 615 W HA -0.147 4.513 4.660 0.001 0.000 0.294 615 W C 2.542 179.000 176.519 -0.102 0.000 1.212 615 W CA 0.822 58.086 57.345 -0.136 0.000 1.271 615 W CB -0.463 28.917 29.460 -0.133 0.000 1.126 615 W HN 0.347 nan 8.180 nan 0.000 0.535 616 C N -0.694 118.651 119.300 0.075 0.000 2.429 616 C HA -0.194 4.266 4.460 0.001 0.000 0.277 616 C C 2.518 177.334 174.990 -0.290 0.000 1.262 616 C CA 1.406 60.435 59.018 0.019 0.000 1.733 616 C CB -1.161 26.657 27.740 0.130 0.000 2.010 616 C HN 0.402 nan 8.230 nan 0.000 0.483 617 E N 0.238 119.954 120.200 -0.807 0.000 2.072 617 E HA -0.258 4.092 4.350 0.001 0.000 0.191 617 E C 2.267 178.649 176.600 -0.365 0.000 0.985 617 E CA 1.029 56.719 56.400 -1.183 0.000 0.801 617 E CB -0.235 28.654 29.700 -1.351 0.000 0.750 617 E HN 0.669 nan 8.360 nan 0.000 0.452 618 Q N -0.579 119.088 119.800 -0.222 0.000 2.084 618 Q HA -0.230 4.110 4.340 0.001 0.000 0.202 618 Q C 1.957 177.977 176.000 0.033 0.000 0.978 618 Q CA 1.576 57.315 55.803 -0.107 0.000 0.844 618 Q CB -0.224 28.435 28.738 -0.132 0.000 0.898 618 Q HN 0.424 nan 8.270 nan 0.000 0.426 619 Y N 0.030 120.356 120.300 0.044 0.000 2.128 619 Y HA -0.312 4.238 4.550 0.001 0.000 0.284 619 Y C 1.949 177.937 175.900 0.146 0.000 1.154 619 Y CA 2.062 60.260 58.100 0.163 0.000 1.149 619 Y CB -0.472 38.103 38.460 0.191 0.000 0.976 619 Y HN 0.273 nan 8.280 nan 0.000 0.505 620 F N 1.374 121.481 119.950 0.261 0.000 2.120 620 F HA -0.317 4.210 4.527 0.001 0.000 0.300 620 F C 1.967 177.828 175.800 0.101 0.000 1.095 620 F CA 2.184 60.330 58.000 0.244 0.000 1.249 620 F CB -0.561 38.650 39.000 0.352 0.000 0.995 620 F HN 0.082 nan 8.300 nan 0.000 0.480 621 N N 0.408 119.203 118.700 0.158 0.000 2.512 621 N HA -0.015 4.726 4.740 0.001 0.000 0.183 621 N C 1.408 176.850 175.510 -0.113 0.000 1.073 621 N CA 0.957 54.013 53.050 0.010 0.000 0.911 621 N CB -0.321 38.195 38.487 0.047 0.000 0.964 621 N HN 0.392 nan 8.380 nan 0.000 0.447 622 A N 0.274 123.006 122.820 -0.147 0.000 2.337 622 A HA 0.114 4.434 4.320 0.001 0.000 0.227 622 A C 1.141 178.665 177.584 -0.100 0.000 1.259 622 A CA 0.029 51.946 52.037 -0.201 0.000 0.870 622 A CB -0.179 18.565 19.000 -0.427 0.000 0.927 622 A HN 0.309 nan 8.150 nan 0.000 0.497 623 T N -4.664 109.778 114.554 -0.186 0.000 2.804 623 T HA 0.437 4.788 4.350 0.001 0.000 0.272 623 T C -0.009 174.571 174.700 -0.200 0.000 0.986 623 T CA -0.199 61.753 62.100 -0.246 0.000 0.999 623 T CB 0.997 69.606 68.868 -0.432 0.000 1.307 623 T HN -0.091 nan 8.240 nan 0.000 0.586 624 D N -0.226 120.016 120.400 -0.264 0.000 2.340 624 D HA 0.139 4.779 4.640 0.001 0.000 0.220 624 D C 1.866 178.170 176.300 0.007 0.000 1.039 624 D CA 0.148 54.026 54.000 -0.203 0.000 0.866 624 D CB -0.103 40.400 40.800 -0.496 0.000 0.913 624 D HN 0.291 nan 8.370 nan 0.000 0.523 625 M N 0.413 119.964 119.600 -0.083 0.000 2.108 625 M HA -0.131 4.349 4.480 0.001 0.000 0.257 625 M C -0.791 175.442 176.300 -0.111 0.000 1.071 625 M CA 1.509 56.738 55.300 -0.119 0.000 1.093 625 M CB -2.090 30.053 32.600 -0.763 0.000 1.345 625 M HN -0.026 nan 8.290 nan 0.000 0.403 626 P HA -0.181 nan 4.420 nan 0.000 0.220 626 P C 1.115 178.437 177.300 0.037 0.000 1.144 626 P CA 1.312 64.417 63.100 0.009 0.000 0.800 626 P CB -0.211 31.483 31.700 -0.011 0.000 0.772 627 K N -2.346 118.073 120.400 0.031 0.000 2.288 627 K HA -0.097 4.223 4.320 0.001 0.000 0.201 627 K C 1.410 177.892 176.600 -0.197 0.000 1.048 627 K CA 1.238 57.484 56.287 -0.068 0.000 0.956 627 K CB -0.224 32.234 32.500 -0.069 0.000 0.746 627 K HN 0.313 nan 8.250 nan 0.000 0.461 628 Y N -0.285 120.014 120.300 -0.002 0.000 2.559 628 Y HA 0.228 4.779 4.550 0.001 0.000 0.279 628 Y C 0.991 176.836 175.900 -0.091 0.000 1.117 628 Y CA -0.303 57.753 58.100 -0.074 0.000 1.263 628 Y CB 0.650 38.955 38.460 -0.258 0.000 1.230 628 Y HN -0.059 nan 8.280 nan 0.000 0.528 629 M N -1.045 118.610 119.600 0.091 0.000 2.603 629 M HA 0.467 4.948 4.480 0.001 0.000 0.275 629 M C -0.706 175.777 176.300 0.306 0.000 1.226 629 M CA -0.911 54.472 55.300 0.139 0.000 0.870 629 M CB 1.898 34.546 32.600 0.079 0.000 1.716 629 M HN -0.024 nan 8.290 nan 0.000 0.482 630 T N -1.826 112.877 114.554 0.247 0.000 2.788 630 T HA 0.150 4.500 4.350 0.001 0.000 0.287 630 T C 0.753 175.573 174.700 0.200 0.000 1.007 630 T CA -0.433 61.849 62.100 0.303 0.000 1.005 630 T CB 1.149 70.121 68.868 0.173 0.000 1.012 630 T HN 0.947 nan 8.240 nan 0.000 0.530 631 W N 1.113 122.341 121.300 -0.119 0.000 2.358 631 W HA -0.153 4.507 4.660 0.001 0.000 0.303 631 W C 0.867 177.266 176.519 -0.200 0.000 1.208 631 W CA 1.750 58.733 57.345 -0.603 0.000 1.274 631 W CB -0.440 28.774 29.460 -0.411 0.000 1.138 631 W HN 0.700 nan 8.180 nan 0.000 0.515 632 D N 0.473 120.739 120.400 -0.222 0.000 2.117 632 D HA -0.179 4.461 4.640 0.001 0.000 0.198 632 D C 1.991 178.189 176.300 -0.170 0.000 0.982 632 D CA 1.796 55.646 54.000 -0.249 0.000 0.828 632 D CB -0.531 40.229 40.800 -0.067 0.000 0.967 632 D HN 0.411 nan 8.370 nan 0.000 0.464 633 E N -0.203 119.950 120.200 -0.079 0.000 2.051 633 E HA -0.158 4.192 4.350 0.001 0.000 0.192 633 E C 1.938 178.503 176.600 -0.058 0.000 0.991 633 E CA 0.488 56.867 56.400 -0.034 0.000 0.799 633 E CB -0.230 29.489 29.700 0.031 0.000 0.748 633 E HN 0.229 nan 8.360 nan 0.000 0.449 634 F N 1.158 120.966 119.950 -0.238 0.000 2.102 634 F HA -0.204 4.323 4.527 0.001 0.000 0.298 634 F C 2.049 177.649 175.800 -0.333 0.000 1.105 634 F CA 1.182 59.036 58.000 -0.243 0.000 1.239 634 F CB -0.419 38.417 39.000 -0.274 0.000 0.991 634 F HN -0.051 nan 8.300 nan 0.000 0.474 635 F N 1.355 120.819 119.950 -0.810 0.000 2.120 635 F HA -0.222 4.305 4.527 0.001 0.000 0.300 635 F C 2.508 178.003 175.800 -0.508 0.000 1.095 635 F CA 2.365 59.842 58.000 -0.873 0.000 1.249 635 F CB -0.576 37.799 39.000 -1.043 0.000 0.995 635 F HN 0.005 nan 8.300 nan 0.000 0.480 636 K N 0.256 120.483 120.400 -0.288 0.000 2.062 636 K HA -0.190 4.131 4.320 0.001 0.000 0.205 636 K C 2.331 178.775 176.600 -0.261 0.000 1.051 636 K CA 1.322 57.473 56.287 -0.227 0.000 0.941 636 K CB -0.200 32.243 32.500 -0.095 0.000 0.719 636 K HN 0.219 nan 8.250 nan 0.000 0.440 637 K N -1.002 119.236 120.400 -0.269 0.000 2.103 637 K HA -0.089 4.232 4.320 0.001 0.000 0.204 637 K C 1.132 177.572 176.600 -0.267 0.000 1.052 637 K CA 1.449 57.591 56.287 -0.241 0.000 0.945 637 K CB 0.073 32.442 32.500 -0.218 0.000 0.722 637 K HN 0.418 nan 8.250 nan 0.000 0.443 638 G N -0.265 108.253 108.800 -0.470 0.000 2.320 638 G HA2 -0.307 3.654 3.960 0.001 0.000 0.242 638 G HA3 -0.307 3.654 3.960 0.001 0.000 0.242 638 G C -0.062 174.712 174.900 -0.210 0.000 1.033 638 G CA 0.772 45.639 45.100 -0.389 0.000 0.620 638 G HN 0.528 nan 8.290 nan 0.000 0.517 639 Y N -2.235 117.957 120.300 -0.180 0.000 2.558 639 Y HA 0.740 5.290 4.550 0.001 0.000 0.333 639 Y C -1.540 174.516 175.900 0.260 0.000 1.125 639 Y CA -2.404 55.736 58.100 0.067 0.000 1.039 639 Y CB 0.815 39.300 38.460 0.042 0.000 1.331 639 Y HN 0.663 nan 8.280 nan 0.000 0.456 640 F N 3.244 123.295 119.950 0.168 0.000 2.547 640 F HA 0.741 5.268 4.527 0.001 0.000 0.316 640 F C -1.781 173.990 175.800 -0.048 0.000 1.121 640 F CA -1.331 56.663 58.000 -0.010 0.000 0.911 640 F CB 1.943 41.013 39.000 0.115 0.000 1.179 640 F HN 0.527 nan 8.300 nan 0.000 0.443 641 V N 6.867 126.255 119.914 -0.878 0.000 2.348 641 V HA 0.261 4.381 4.120 0.001 0.000 0.270 641 V C -0.226 175.093 176.094 -1.292 0.000 1.037 641 V CA -0.788 61.013 62.300 -0.832 0.000 0.872 641 V CB 1.091 32.412 31.823 -0.836 0.000 1.002 641 V HN 0.605 nan 8.190 nan 0.000 0.464 642 V N 8.891 128.246 119.914 -0.932 0.000 2.599 642 V HA 0.091 4.211 4.120 0.001 0.000 0.300 642 V C -1.727 174.002 176.094 -0.608 0.000 1.034 642 V CA -0.880 60.865 62.300 -0.926 0.000 1.115 642 V CB 0.524 31.936 31.823 -0.684 0.000 0.934 642 V HN 0.758 nan 8.190 nan 0.000 0.485 643 P HA 0.113 nan 4.420 nan 0.000 0.271 643 P C -0.524 176.716 177.300 -0.100 0.000 1.233 643 P CA -0.308 62.649 63.100 -0.239 0.000 0.789 643 P CB 0.426 32.068 31.700 -0.096 0.000 0.951 644 D N 0.440 120.840 120.400 -0.001 0.000 2.329 644 D HA 0.095 4.736 4.640 0.001 0.000 0.246 644 D C -0.224 176.114 176.300 0.063 0.000 1.111 644 D CA -0.030 54.007 54.000 0.062 0.000 0.941 644 D CB 0.154 41.022 40.800 0.113 0.000 1.169 644 D HN 0.089 nan 8.370 nan 0.000 0.441 645 N N 2.280 121.017 118.700 0.061 0.000 2.844 645 N HA 0.272 5.013 4.740 0.001 0.000 0.268 645 N C -2.218 173.324 175.510 0.054 0.000 1.574 645 N CA -1.733 51.357 53.050 0.067 0.000 0.838 645 N CB 1.065 39.593 38.487 0.069 0.000 1.177 645 N HN 0.155 nan 8.380 nan 0.000 0.495 646 P HA -0.072 nan 4.420 nan 0.000 0.216 646 P C 0.672 178.004 177.300 0.052 0.000 1.150 646 P CA 1.191 64.329 63.100 0.065 0.000 0.843 646 P CB 0.417 32.158 31.700 0.068 0.000 0.787 647 N N -0.794 117.937 118.700 0.052 0.000 2.422 647 N HA -0.018 4.722 4.740 0.001 0.000 0.181 647 N C 0.705 176.243 175.510 0.046 0.000 1.080 647 N CA 0.160 53.238 53.050 0.047 0.000 0.893 647 N CB -0.372 38.142 38.487 0.046 0.000 0.973 647 N HN 0.358 nan 8.380 nan 0.000 0.456 648 R N 2.178 122.707 120.500 0.049 0.000 2.623 648 R HA 0.056 4.396 4.340 0.001 0.000 0.271 648 R C 0.130 176.461 176.300 0.051 0.000 1.043 648 R CA -0.400 55.732 56.100 0.054 0.000 1.083 648 R CB 0.310 30.646 30.300 0.061 0.000 0.974 648 R HN 0.004 nan 8.270 nan 0.000 0.436 649 K N 2.791 123.225 120.400 0.055 0.000 2.368 649 K HA 0.108 4.429 4.320 0.001 0.000 0.282 649 K C -0.710 175.935 176.600 0.074 0.000 1.035 649 K CA -0.565 55.756 56.287 0.057 0.000 0.973 649 K CB 0.831 33.361 32.500 0.051 0.000 0.957 649 K HN 0.364 nan 8.250 nan 0.000 0.474 650 K N 2.724 123.168 120.400 0.074 0.000 2.298 650 K HA 0.107 4.427 4.320 0.001 0.000 0.280 650 K C -0.290 176.377 176.600 0.112 0.000 1.032 650 K CA -0.361 55.985 56.287 0.098 0.000 0.958 650 K CB 1.180 33.723 32.500 0.072 0.000 0.978 650 K HN 0.885 nan 8.250 nan 0.000 0.472 651 T N -1.721 112.922 114.554 0.148 0.000 2.991 651 T HA 0.276 4.627 4.350 0.001 0.000 0.347 651 T C 0.015 174.826 174.700 0.185 0.000 1.122 651 T CA -0.867 61.320 62.100 0.145 0.000 1.062 651 T CB 0.371 69.297 68.868 0.097 0.000 1.043 651 T HN 0.112 nan 8.240 nan 0.000 0.491 652 V N 3.313 123.325 119.914 0.164 0.000 2.585 652 V HA 0.453 4.573 4.120 0.001 0.000 0.296 652 V C 1.405 177.618 176.094 0.198 0.000 1.035 652 V CA -0.468 61.919 62.300 0.145 0.000 1.084 652 V CB 0.044 31.921 31.823 0.090 0.000 0.953 652 V HN 1.168 nan 8.190 nan 0.000 0.483 653 A N 5.421 128.356 122.820 0.192 0.000 2.598 653 A HA 0.217 4.537 4.320 0.001 0.000 0.239 653 A C 1.177 178.850 177.584 0.150 0.000 1.032 653 A CA 0.434 52.608 52.037 0.228 0.000 0.760 653 A CB -0.652 18.420 19.000 0.120 0.000 0.946 653 A HN 1.292 nan 8.150 nan 0.000 0.512 654 L N -0.403 120.892 121.223 0.120 0.000 4.988 654 L HA -0.330 4.010 4.340 0.001 0.000 0.439 654 L C 2.090 178.797 176.870 -0.272 0.000 1.080 654 L CA 1.459 56.148 54.840 -0.252 0.000 1.018 654 L CB -1.197 40.841 42.059 -0.035 0.000 1.945 654 L HN 0.963 nan 8.230 nan 0.000 0.782 655 R N 1.096 121.571 120.500 -0.042 0.000 2.120 655 R HA -0.173 4.167 4.340 0.001 0.000 0.234 655 R C 2.230 178.548 176.300 0.030 0.000 1.123 655 R CA 2.113 58.230 56.100 0.029 0.000 0.975 655 R CB -0.225 30.137 30.300 0.103 0.000 0.866 655 R HN 0.763 nan 8.270 nan 0.000 0.446 656 W N -0.374 121.006 121.300 0.133 0.000 2.363 656 W HA -0.202 4.459 4.660 0.001 0.000 0.296 656 W C 1.477 178.079 176.519 0.139 0.000 1.212 656 W CA 0.203 57.611 57.345 0.104 0.000 1.260 656 W CB -1.218 28.293 29.460 0.085 0.000 1.131 656 W HN 0.040 nan 8.180 nan 0.000 0.530 657 F N 2.882 122.344 119.950 -0.813 0.000 2.128 657 F HA 0.111 4.639 4.527 0.001 0.000 0.295 657 F C 2.637 178.254 175.800 -0.306 0.000 1.100 657 F CA 2.401 59.974 58.000 -0.711 0.000 1.260 657 F CB -0.917 37.445 39.000 -1.064 0.000 1.009 657 F HN -0.105 nan 8.300 nan 0.000 0.476 658 A N -0.236 122.444 122.820 -0.234 0.000 2.019 658 A HA -0.167 4.153 4.320 0.001 0.000 0.219 658 A C 1.866 179.347 177.584 -0.171 0.000 1.164 658 A CA 1.790 53.749 52.037 -0.130 0.000 0.644 658 A CB -0.731 18.358 19.000 0.148 0.000 0.805 658 A HN 0.603 nan 8.150 nan 0.000 0.449 659 E N -1.342 118.792 120.200 -0.110 0.000 2.465 659 E HA 0.304 4.654 4.350 0.001 0.000 0.195 659 E C 0.808 177.368 176.600 -0.066 0.000 1.028 659 E CA 0.086 56.450 56.400 -0.060 0.000 0.899 659 E CB 0.052 29.761 29.700 0.015 0.000 1.032 659 E HN 0.631 nan 8.360 nan 0.000 0.468 660 G N 3.164 111.884 108.800 -0.132 0.000 2.305 660 G HA2 -0.348 3.612 3.960 0.001 0.000 0.287 660 G HA3 -0.348 3.612 3.960 0.001 0.000 0.287 660 G C 0.179 175.104 174.900 0.042 0.000 1.036 660 G CA 1.141 46.194 45.100 -0.078 0.000 0.887 660 G HN 0.360 nan 8.290 nan 0.000 0.505 661 R N -1.623 118.959 120.500 0.135 0.000 2.960 661 R HA 0.744 5.085 4.340 0.001 0.000 0.249 661 R C -0.447 175.992 176.300 0.233 0.000 1.192 661 R CA -1.124 55.065 56.100 0.147 0.000 1.035 661 R CB 0.980 31.350 30.300 0.116 0.000 1.234 661 R HN 0.068 nan 8.270 nan 0.000 0.493 662 E N 1.822 122.090 120.200 0.113 0.000 2.414 662 E HA -0.015 4.335 4.350 0.001 0.000 0.263 662 E C -0.529 176.008 176.600 -0.105 0.000 1.000 662 E CA -0.078 56.328 56.400 0.012 0.000 0.914 662 E CB 0.540 30.206 29.700 -0.057 0.000 0.948 662 E HN 0.245 nan 8.360 nan 0.000 0.444 663 K N 3.544 123.634 120.400 -0.516 0.000 2.453 663 K HA -0.098 4.222 4.320 0.001 0.000 0.280 663 K C -0.415 175.745 176.600 -0.733 0.000 1.045 663 K CA 0.341 55.773 56.287 -1.424 0.000 1.059 663 K CB 0.323 31.825 32.500 -1.663 0.000 0.901 663 K HN 0.615 nan 8.250 nan 0.000 0.475 664 D N 1.790 121.838 120.400 -0.587 0.000 2.503 664 D HA -0.021 4.619 4.640 0.001 0.000 0.218 664 D C 0.365 176.536 176.300 -0.215 0.000 1.183 664 D CA -0.280 53.566 54.000 -0.257 0.000 0.827 664 D CB 0.028 40.787 40.800 -0.069 0.000 1.034 664 D HN 0.491 nan 8.370 nan 0.000 0.510 665 T N -2.361 112.013 114.554 -0.300 0.000 2.824 665 T HA 0.439 4.790 4.350 0.001 0.000 0.277 665 T C -2.010 172.443 174.700 -0.411 0.000 0.975 665 T CA -1.415 60.495 62.100 -0.317 0.000 0.966 665 T CB 1.610 70.332 68.868 -0.243 0.000 1.054 665 T HN -0.337 nan 8.240 nan 0.000 0.533 666 P HA 0.196 nan 4.420 nan 0.000 0.249 666 P C -0.097 177.113 177.300 -0.150 0.000 1.241 666 P CA -0.017 62.848 63.100 -0.392 0.000 0.781 666 P CB -0.131 31.321 31.700 -0.415 0.000 1.088 667 D N -1.022 119.273 120.400 -0.174 0.000 2.449 667 D HA -0.098 4.542 4.640 0.001 0.000 0.236 667 D C 0.247 176.640 176.300 0.156 0.000 1.149 667 D CA 0.115 54.234 54.000 0.199 0.000 0.878 667 D CB 0.351 41.340 40.800 0.315 0.000 1.198 667 D HN 0.025 nan 8.370 nan 0.000 0.446 668 W N 2.198 123.349 121.300 -0.248 0.000 3.377 668 W HA 0.353 5.013 4.660 0.001 0.000 0.277 668 W C 0.885 176.838 176.519 -0.943 0.000 1.311 668 W CA -0.208 56.835 57.345 -0.503 0.000 1.703 668 W CB -0.502 28.580 29.460 -0.630 0.000 1.095 668 W HN 0.369 nan 8.180 nan 0.000 0.715 669 G N -0.585 107.534 108.800 -1.136 0.000 2.608 669 G HA2 0.462 4.423 3.960 0.001 0.000 0.291 669 G HA3 0.462 4.423 3.960 0.001 0.000 0.291 669 G C -3.097 171.087 174.900 -1.193 0.000 1.425 669 G CA -1.158 42.762 45.100 -1.966 0.000 0.787 669 G HN -0.419 nan 8.290 nan 0.000 0.484 670 P HA 0.291 nan 4.420 nan 0.000 0.276 670 P C -0.354 176.599 177.300 -0.578 0.000 1.244 670 P CA -0.368 62.171 63.100 -0.935 0.000 0.801 670 P CB 1.230 32.778 31.700 -0.255 0.000 1.006 671 R N 0.976 121.232 120.500 -0.407 0.000 2.643 671 R HA 0.135 4.475 4.340 0.001 0.000 0.270 671 R C 1.852 178.045 176.300 -0.179 0.000 1.061 671 R CA -0.395 55.558 56.100 -0.244 0.000 1.107 671 R CB 0.032 30.249 30.300 -0.138 0.000 0.999 671 R HN 0.485 nan 8.270 nan 0.000 0.460 672 L N 2.147 123.276 121.223 -0.157 0.000 2.021 672 L HA -0.331 4.010 4.340 0.001 0.000 0.215 672 L C 1.896 178.714 176.870 -0.087 0.000 1.074 672 L CA 2.350 57.116 54.840 -0.125 0.000 0.760 672 L CB -0.737 41.253 42.059 -0.115 0.000 0.889 672 L HN 0.775 nan 8.230 nan 0.000 0.433 673 N N -0.814 117.844 118.700 -0.070 0.000 2.520 673 N HA -0.196 4.544 4.740 0.001 0.000 0.185 673 N C 1.048 176.538 175.510 -0.033 0.000 1.068 673 N CA 1.190 54.214 53.050 -0.044 0.000 0.911 673 N CB -0.435 38.033 38.487 -0.031 0.000 0.961 673 N HN 0.414 nan 8.380 nan 0.000 0.446 674 N N -0.861 117.812 118.700 -0.045 0.000 2.276 674 N HA 0.123 4.864 4.740 0.001 0.000 0.212 674 N C -0.760 174.737 175.510 -0.022 0.000 1.127 674 N CA -0.133 52.901 53.050 -0.026 0.000 0.834 674 N CB 0.333 38.808 38.487 -0.021 0.000 1.014 674 N HN 0.326 nan 8.380 nan 0.000 0.491 675 Q N -0.132 119.650 119.800 -0.031 0.000 2.456 675 Q HA 0.428 4.768 4.340 0.001 0.000 0.284 675 Q C -1.308 174.686 176.000 -0.011 0.000 1.061 675 Q CA -0.813 54.981 55.803 -0.015 0.000 0.799 675 Q CB 3.016 31.732 28.738 -0.038 0.000 1.445 675 Q HN -0.100 nan 8.270 nan 0.000 0.411 676 V N 1.325 121.243 119.914 0.007 0.000 2.318 676 V HA 0.102 4.223 4.120 0.001 0.000 0.271 676 V C -0.061 176.034 176.094 0.002 0.000 1.030 676 V CA -0.336 61.966 62.300 0.004 0.000 0.844 676 V CB 0.779 32.611 31.823 0.015 0.000 1.015 676 V HN 1.067 nan 8.190 nan 0.000 0.460 677 C N 5.370 124.661 119.300 -0.015 0.000 4.365 677 C HA -0.149 4.311 4.460 0.001 0.000 0.299 677 C C 1.409 176.382 174.990 -0.029 0.000 1.409 677 C CA 0.754 59.758 59.018 -0.022 0.000 2.007 677 C CB -2.401 25.333 27.740 -0.010 0.000 1.264 677 C HN 1.203 nan 8.230 nan 0.000 0.777 678 R N -1.715 118.756 120.500 -0.048 0.000 3.405 678 R HA -0.243 4.098 4.340 0.001 0.000 0.258 678 R C -0.513 175.758 176.300 -0.048 0.000 1.030 678 R CA 1.772 57.822 56.100 -0.083 0.000 0.691 678 R CB -1.781 28.437 30.300 -0.136 0.000 1.093 678 R HN 0.782 nan 8.270 nan 0.000 0.448 679 K N 0.189 120.615 120.400 0.043 0.000 2.385 679 K HA 0.705 5.025 4.320 0.001 0.000 0.248 679 K C 0.283 177.026 176.600 0.238 0.000 0.955 679 K CA -0.392 55.996 56.287 0.169 0.000 0.816 679 K CB 2.218 34.795 32.500 0.129 0.000 1.250 679 K HN 0.417 nan 8.250 nan 0.000 0.434 680 G N 0.892 109.957 108.800 0.442 0.000 2.746 680 G HA2 -0.197 3.763 3.960 0.001 0.000 0.685 680 G HA3 -0.197 3.763 3.960 0.001 0.000 0.685 680 G C -0.627 174.469 174.900 0.327 0.000 1.350 680 G CA -0.970 44.371 45.100 0.403 0.000 0.837 680 G HN 0.393 nan 8.290 nan 0.000 0.564 681 L N 0.239 121.539 121.223 0.127 0.000 2.479 681 L HA 0.341 4.682 4.340 0.001 0.000 0.248 681 L C 2.260 179.134 176.870 0.006 0.000 1.205 681 L CA 0.112 54.918 54.840 -0.056 0.000 0.817 681 L CB 0.634 42.541 42.059 -0.253 0.000 1.162 681 L HN 0.899 nan 8.230 nan 0.000 0.486 682 Q N 0.214 120.004 119.800 -0.016 0.000 2.291 682 Q HA -0.087 4.253 4.340 0.001 0.000 0.206 682 Q C 0.586 176.597 176.000 0.018 0.000 0.976 682 Q CA 0.910 56.734 55.803 0.035 0.000 0.875 682 Q CB -0.006 28.814 28.738 0.137 0.000 0.927 682 Q HN 0.842 nan 8.270 nan 0.000 0.450 683 T N -2.312 112.249 114.554 0.011 0.000 2.791 683 T HA -0.003 4.347 4.350 0.001 0.000 0.323 683 T C 1.058 175.768 174.700 0.016 0.000 1.082 683 T CA 0.226 62.340 62.100 0.023 0.000 1.084 683 T CB 0.873 69.766 68.868 0.042 0.000 0.992 683 T HN 0.064 nan 8.240 nan 0.000 0.547 684 T N 1.568 116.125 114.554 0.005 0.000 2.635 684 T HA -0.158 4.193 4.350 0.001 0.000 0.267 684 T C 2.307 176.995 174.700 -0.019 0.000 1.040 684 T CA 2.304 64.400 62.100 -0.008 0.000 1.156 684 T CB -1.018 67.840 68.868 -0.018 0.000 0.863 684 T HN 0.998 nan 8.240 nan 0.000 0.430 685 T N -1.220 113.300 114.554 -0.056 0.000 3.055 685 T HA 0.278 4.628 4.350 0.001 0.000 0.265 685 T C 1.843 176.565 174.700 0.037 0.000 1.111 685 T CA 1.145 63.218 62.100 -0.045 0.000 1.118 685 T CB -0.358 68.422 68.868 -0.146 0.000 0.909 685 T HN 0.616 nan 8.240 nan 0.000 0.501 686 G N 1.057 109.891 108.800 0.057 0.000 2.179 686 G HA2 -0.238 3.722 3.960 0.001 0.000 0.260 686 G HA3 -0.238 3.722 3.960 0.001 0.000 0.260 686 G C -0.002 175.015 174.900 0.195 0.000 0.977 686 G CA 0.438 45.604 45.100 0.110 0.000 0.641 686 G HN 0.712 nan 8.290 nan 0.000 0.533 687 K N -0.743 119.768 120.400 0.185 0.000 2.280 687 K HA 0.687 5.007 4.320 0.001 0.000 0.234 687 K C 0.142 176.900 176.600 0.262 0.000 1.028 687 K CA -0.982 55.480 56.287 0.292 0.000 0.882 687 K CB 2.106 34.764 32.500 0.264 0.000 1.194 687 K HN -0.005 nan 8.250 nan 0.000 0.458 688 V N 2.690 122.807 119.914 0.338 0.000 2.381 688 V HA 0.003 4.124 4.120 0.001 0.000 0.257 688 V C -0.260 175.993 176.094 0.265 0.000 1.057 688 V CA 0.224 62.666 62.300 0.236 0.000 1.013 688 V CB -0.295 31.673 31.823 0.242 0.000 1.069 688 V HN 0.589 nan 8.190 nan 0.000 0.484 689 E N 4.740 125.053 120.200 0.188 0.000 1.941 689 E HA 0.186 4.537 4.350 0.001 0.000 0.275 689 E C 0.060 176.757 176.600 0.161 0.000 1.113 689 E CA -0.217 56.364 56.400 0.302 0.000 0.878 689 E CB 0.413 30.272 29.700 0.265 0.000 1.070 689 E HN 0.602 nan 8.360 nan 0.000 0.399 690 F N 1.540 121.528 119.950 0.064 0.000 2.451 690 F HA -0.011 4.516 4.527 0.001 0.000 0.299 690 F C 0.998 176.833 175.800 0.058 0.000 1.101 690 F CA 0.700 58.653 58.000 -0.080 0.000 1.436 690 F CB 0.143 39.006 39.000 -0.228 0.000 1.074 690 F HN 0.351 nan 8.300 nan 0.000 0.553 691 I N 0.388 121.137 120.570 0.297 0.000 2.495 691 I HA 0.311 4.482 4.170 0.001 0.000 0.277 691 I C -0.093 176.181 176.117 0.261 0.000 1.045 691 I CA -0.891 60.555 61.300 0.243 0.000 1.135 691 I CB 0.843 38.965 38.000 0.204 0.000 1.241 691 I HN -0.186 nan 8.210 nan 0.000 0.469 692 A N 3.925 126.856 122.820 0.185 0.000 2.545 692 A HA 0.182 4.502 4.320 0.001 0.000 0.253 692 A C 1.557 179.234 177.584 0.155 0.000 1.074 692 A CA 0.351 52.486 52.037 0.163 0.000 0.760 692 A CB 0.012 19.091 19.000 0.132 0.000 1.005 692 A HN 0.853 nan 8.150 nan 0.000 0.506 693 T N 0.677 115.316 114.554 0.140 0.000 2.821 693 T HA -0.198 4.152 4.350 0.001 0.000 0.267 693 T C 2.001 176.762 174.700 0.101 0.000 1.046 693 T CA 1.702 63.868 62.100 0.110 0.000 1.139 693 T CB -0.699 68.193 68.868 0.040 0.000 0.871 693 T HN 1.075 nan 8.240 nan 0.000 0.454 694 S N 2.557 118.320 115.700 0.106 0.000 2.348 694 S HA -0.010 4.460 4.470 0.001 0.000 0.221 694 S C 2.138 176.780 174.600 0.071 0.000 1.033 694 S CA 1.048 59.312 58.200 0.106 0.000 1.010 694 S CB -1.095 62.216 63.200 0.185 0.000 0.891 694 S HN 0.501 nan 8.310 nan 0.000 0.442 695 L N 1.347 122.573 121.223 0.004 0.000 2.141 695 L HA -0.022 4.318 4.340 0.001 0.000 0.209 695 L C 2.925 179.878 176.870 0.137 0.000 1.094 695 L CA 1.541 56.384 54.840 0.005 0.000 0.763 695 L CB -0.483 41.527 42.059 -0.082 0.000 0.908 695 L HN 0.393 nan 8.230 nan 0.000 0.437 696 K N 0.621 121.092 120.400 0.119 0.000 2.097 696 K HA -0.183 4.137 4.320 0.001 0.000 0.206 696 K C 1.756 178.431 176.600 0.125 0.000 1.049 696 K CA 1.637 57.996 56.287 0.121 0.000 0.933 696 K CB -0.029 32.544 32.500 0.122 0.000 0.717 696 K HN 0.392 nan 8.250 nan 0.000 0.442 697 N N -0.426 118.353 118.700 0.132 0.000 2.084 697 N HA -0.174 4.566 4.740 0.001 0.000 0.190 697 N C 1.671 177.290 175.510 0.181 0.000 1.030 697 N CA 1.096 54.226 53.050 0.133 0.000 0.849 697 N CB -0.191 38.370 38.487 0.124 0.000 1.012 697 N HN 0.075 nan 8.380 nan 0.000 0.423 698 F N 2.594 122.553 119.950 0.015 0.000 2.091 698 F HA -0.214 4.313 4.527 0.001 0.000 0.299 698 F C 2.266 178.129 175.800 0.105 0.000 1.103 698 F CA 1.582 59.583 58.000 0.001 0.000 1.228 698 F CB -0.350 38.597 39.000 -0.088 0.000 0.984 698 F HN 0.162 nan 8.300 nan 0.000 0.477 699 E N -0.663 119.591 120.200 0.091 0.000 2.107 699 E HA -0.185 4.165 4.350 0.001 0.000 0.191 699 E C 1.835 178.432 176.600 -0.006 0.000 0.982 699 E CA 1.325 57.725 56.400 -0.000 0.000 0.809 699 E CB -0.789 28.948 29.700 0.062 0.000 0.756 699 E HN 0.540 nan 8.360 nan 0.000 0.459 700 E N 0.979 121.201 120.200 0.036 0.000 2.268 700 E HA -0.153 4.197 4.350 0.001 0.000 0.195 700 E C 1.700 178.303 176.600 0.006 0.000 0.995 700 E CA 0.703 57.117 56.400 0.024 0.000 0.836 700 E CB -0.019 29.708 29.700 0.046 0.000 0.763 700 E HN 0.377 nan 8.360 nan 0.000 0.491 701 Q N -0.809 119.003 119.800 0.021 0.000 2.444 701 Q HA 0.066 4.406 4.340 0.001 0.000 0.206 701 Q C 0.975 176.896 176.000 -0.131 0.000 0.948 701 Q CA 0.439 56.255 55.803 0.022 0.000 0.946 701 Q CB 0.816 29.654 28.738 0.166 0.000 1.027 701 Q HN 0.392 nan 8.270 nan 0.000 0.513 702 G N -0.145 108.548 108.800 -0.178 0.000 2.176 702 G HA2 -0.275 3.685 3.960 0.001 0.000 0.232 702 G HA3 -0.275 3.685 3.960 0.001 0.000 0.232 702 G C -0.294 174.340 174.900 -0.443 0.000 0.986 702 G CA -0.481 44.440 45.100 -0.300 0.000 0.643 702 G HN 0.367 nan 8.290 nan 0.000 0.522 703 Y N 1.924 121.933 120.300 -0.485 0.000 2.667 703 Y HA 0.432 4.983 4.550 0.001 0.000 0.340 703 Y C 1.016 176.750 175.900 -0.276 0.000 1.303 703 Y CA -0.986 56.714 58.100 -0.667 0.000 1.769 703 Y CB 0.017 37.280 38.460 -1.995 0.000 1.804 703 Y HN 0.081 nan 8.280 nan 0.000 0.451 704 I N 2.262 122.855 120.570 0.038 0.000 2.505 704 I HA -0.002 4.169 4.170 0.001 0.000 0.287 704 I C 0.148 176.397 176.117 0.219 0.000 1.104 704 I CA 0.020 61.380 61.300 0.101 0.000 1.387 704 I CB 0.279 38.303 38.000 0.040 0.000 1.404 704 I HN 0.424 nan 8.210 nan 0.000 0.528 705 D N 5.818 126.360 120.400 0.236 0.000 2.389 705 D HA 0.092 4.732 4.640 0.001 0.000 0.256 705 D C 0.931 177.329 176.300 0.163 0.000 1.239 705 D CA -0.354 53.794 54.000 0.247 0.000 0.925 705 D CB 1.013 42.068 40.800 0.425 0.000 1.145 705 D HN 0.636 nan 8.370 nan 0.000 0.542 706 E N 2.083 122.343 120.200 0.100 0.000 2.097 706 E HA -0.261 4.090 4.350 0.001 0.000 0.196 706 E C 0.245 176.781 176.600 -0.107 0.000 1.000 706 E CA 1.321 57.711 56.400 -0.017 0.000 0.804 706 E CB 0.104 29.763 29.700 -0.067 0.000 0.740 706 E HN 0.537 nan 8.360 nan 0.000 0.454 707 H N -0.863 118.278 119.070 0.119 0.000 2.536 707 H HA 0.235 4.791 4.556 0.001 0.000 0.276 707 H C 0.160 175.581 175.328 0.155 0.000 1.019 707 H CA 0.368 56.508 56.048 0.153 0.000 1.159 707 H CB 0.239 30.134 29.762 0.221 0.000 1.373 707 H HN -0.091 nan 8.280 nan 0.000 0.584 708 R N 1.362 121.982 120.500 0.200 0.000 2.837 708 R HA 0.144 4.484 4.340 0.001 0.000 0.245 708 R C -3.248 173.146 176.300 0.157 0.000 1.712 708 R CA -1.470 54.744 56.100 0.190 0.000 1.539 708 R CB 0.702 31.140 30.300 0.229 0.000 1.490 708 R HN 0.110 nan 8.270 nan 0.000 0.667 709 P HA 0.073 nan 4.420 nan 0.000 0.274 709 P C 0.631 177.992 177.300 0.101 0.000 1.231 709 P CA -0.073 63.083 63.100 0.093 0.000 0.790 709 P CB 1.528 33.256 31.700 0.047 0.000 0.951 710 S N 2.119 117.877 115.700 0.097 0.000 2.399 710 S HA -0.115 4.355 4.470 0.001 0.000 0.231 710 S C 1.149 175.823 174.600 0.124 0.000 1.022 710 S CA 0.640 58.901 58.200 0.101 0.000 0.983 710 S CB -0.561 62.704 63.200 0.108 0.000 0.803 710 S HN 0.588 nan 8.310 nan 0.000 0.480 711 M N 2.555 122.226 119.600 0.118 0.000 2.233 711 M HA 0.262 4.742 4.480 0.001 0.000 0.355 711 M C -0.398 176.027 176.300 0.208 0.000 1.191 711 M CA -0.626 54.773 55.300 0.166 0.000 1.101 711 M CB 0.807 33.472 32.600 0.107 0.000 1.592 711 M HN 0.339 nan 8.290 nan 0.000 0.461 712 H N 4.289 123.491 119.070 0.220 0.000 3.082 712 H HA 0.296 4.852 4.556 0.001 0.000 0.275 712 H C -0.939 174.708 175.328 0.532 0.000 1.032 712 H CA 0.635 56.864 56.048 0.302 0.000 1.477 712 H CB 0.070 29.946 29.762 0.191 0.000 1.520 712 H HN 0.736 nan 8.280 nan 0.000 0.521 713 T N 1.544 116.194 114.554 0.160 0.000 2.804 713 T HA 0.171 4.522 4.350 0.001 0.000 0.290 713 T C -0.699 174.158 174.700 0.261 0.000 1.099 713 T CA -1.019 61.018 62.100 -0.105 0.000 1.011 713 T CB 0.598 69.130 68.868 -0.560 0.000 1.291 713 T HN 0.462 nan 8.240 nan 0.000 0.523 714 Y N 1.836 122.139 120.300 0.005 0.000 2.568 714 Y HA 0.497 5.048 4.550 0.001 0.000 0.338 714 Y C -0.470 175.560 175.900 0.217 0.000 1.245 714 Y CA -0.988 57.232 58.100 0.199 0.000 1.667 714 Y CB -0.611 37.844 38.460 -0.007 0.000 1.568 714 Y HN 0.494 nan 8.280 nan 0.000 0.471 715 V N 8.530 128.452 119.914 0.012 0.000 2.427 715 V HA 0.196 4.316 4.120 0.001 0.000 0.268 715 V C -1.991 173.986 176.094 -0.194 0.000 1.046 715 V CA -1.924 60.337 62.300 -0.064 0.000 0.970 715 V CB 0.605 32.449 31.823 0.035 0.000 1.001 715 V HN 0.626 nan 8.190 nan 0.000 0.476 716 P HA 0.124 nan 4.420 nan 0.000 0.263 716 P C -0.111 177.172 177.300 -0.028 0.000 1.195 716 P CA 0.078 62.928 63.100 -0.416 0.000 0.762 716 P CB 0.455 31.730 31.700 -0.708 0.000 0.799 717 A N 5.414 128.256 122.820 0.035 0.000 2.545 717 A HA -0.032 4.288 4.320 0.001 0.000 0.253 717 A C 1.381 179.002 177.584 0.062 0.000 1.074 717 A CA -0.392 51.641 52.037 -0.006 0.000 0.760 717 A CB -0.484 18.463 19.000 -0.089 0.000 1.005 717 A HN 0.846 nan 8.150 nan 0.000 0.506 718 W N 1.857 123.218 121.300 0.103 0.000 2.538 718 W HA -0.015 4.645 4.660 0.001 0.000 0.254 718 W C 0.176 176.726 176.519 0.052 0.000 1.249 718 W CA 0.766 58.144 57.345 0.054 0.000 1.253 718 W CB -0.178 29.199 29.460 -0.139 0.000 1.130 718 W HN 0.746 nan 8.180 nan 0.000 0.618 719 E N 2.118 122.319 120.200 0.003 0.000 3.568 719 E HA 0.187 4.537 4.350 0.001 0.000 0.213 719 E C -0.620 175.956 176.600 -0.039 0.000 1.197 719 E CA -0.198 56.231 56.400 0.049 0.000 1.126 719 E CB 0.285 29.950 29.700 -0.060 0.000 1.285 719 E HN 0.068 nan 8.360 nan 0.000 0.418 720 S N 0.676 116.403 115.700 0.045 0.000 2.634 720 S HA 0.284 4.754 4.470 0.001 0.000 0.296 720 S C 0.897 175.518 174.600 0.034 0.000 1.104 720 S CA -0.783 57.431 58.200 0.024 0.000 0.920 720 S CB 1.683 64.932 63.200 0.083 0.000 1.111 720 S HN 0.335 nan 8.310 nan 0.000 0.493 721 Q N 0.688 120.483 119.800 -0.008 0.000 2.167 721 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 721 Q C 1.732 177.691 176.000 -0.069 0.000 0.970 721 Q CA 1.590 57.377 55.803 -0.027 0.000 0.855 721 Q CB -0.304 28.408 28.738 -0.042 0.000 0.911 721 Q HN 0.874 nan 8.270 nan 0.000 0.438 722 K N -1.246 119.063 120.400 -0.152 0.000 2.353 722 K HA 0.045 4.365 4.320 0.001 0.000 0.195 722 K C 0.908 177.273 176.600 -0.391 0.000 1.031 722 K CA 0.443 56.551 56.287 -0.298 0.000 1.079 722 K CB 0.469 32.717 32.500 -0.421 0.000 0.857 722 K HN 0.169 nan 8.250 nan 0.000 0.535 723 H N -0.202 118.906 119.070 0.063 0.000 3.046 723 H HA 0.161 4.717 4.556 0.001 0.000 0.262 723 H C -0.175 175.219 175.328 0.110 0.000 1.044 723 H CA -0.139 55.966 56.048 0.094 0.000 1.209 723 H CB 1.118 30.952 29.762 0.120 0.000 1.507 723 H HN 0.103 nan 8.280 nan 0.000 0.507 724 S N 2.225 118.035 115.700 0.183 0.000 2.475 724 S HA 0.194 4.665 4.470 0.001 0.000 0.281 724 S C -1.704 172.967 174.600 0.118 0.000 1.198 724 S CA -1.424 56.880 58.200 0.173 0.000 1.063 724 S CB 1.420 64.725 63.200 0.175 0.000 0.972 724 S HN -0.079 nan 8.310 nan 0.000 0.486 725 P HA -0.054 nan 4.420 nan 0.000 0.221 725 P C 1.093 178.430 177.300 0.062 0.000 1.145 725 P CA 0.383 63.528 63.100 0.075 0.000 0.795 725 P CB 0.165 31.909 31.700 0.074 0.000 0.775 726 L N -0.891 120.391 121.223 0.098 0.000 2.313 726 L HA 0.064 4.405 4.340 0.001 0.000 0.214 726 L C 2.182 179.102 176.870 0.082 0.000 1.119 726 L CA 1.014 55.926 54.840 0.121 0.000 0.809 726 L CB -1.641 40.546 42.059 0.213 0.000 0.933 726 L HN -0.104 nan 8.230 nan 0.000 0.449 727 A N -0.737 122.122 122.820 0.065 0.000 2.019 727 A HA -0.149 4.171 4.320 0.001 0.000 0.219 727 A C 2.201 179.773 177.584 -0.021 0.000 1.164 727 A CA 1.710 53.768 52.037 0.034 0.000 0.644 727 A CB -0.885 18.127 19.000 0.021 0.000 0.805 727 A HN 0.350 nan 8.150 nan 0.000 0.449 728 V N -2.785 117.102 119.914 -0.044 0.000 2.809 728 V HA -0.049 4.071 4.120 0.001 0.000 0.256 728 V C 1.914 177.930 176.094 -0.130 0.000 1.080 728 V CA 2.277 64.537 62.300 -0.067 0.000 1.102 728 V CB -0.545 31.248 31.823 -0.050 0.000 0.705 728 V HN 0.507 nan 8.190 nan 0.000 0.475 729 K N -0.860 119.395 120.400 -0.242 0.000 2.214 729 K HA 0.169 4.489 4.320 0.001 0.000 0.201 729 K C -0.142 176.096 176.600 -0.604 0.000 1.049 729 K CA 0.264 56.253 56.287 -0.496 0.000 0.978 729 K CB 0.330 32.362 32.500 -0.779 0.000 0.842 729 K HN 0.550 nan 8.250 nan 0.000 0.474 730 Y N 1.174 121.456 120.300 -0.031 0.000 2.842 730 Y HA 0.252 4.803 4.550 0.001 0.000 0.334 730 Y C -2.024 173.838 175.900 -0.063 0.000 1.019 730 Y CA -2.918 55.133 58.100 -0.082 0.000 1.258 730 Y CB 1.307 39.714 38.460 -0.088 0.000 1.106 730 Y HN 0.110 nan 8.280 nan 0.000 0.545 731 P HA -0.071 nan 4.420 nan 0.000 0.225 731 P C 0.025 177.326 177.300 0.001 0.000 1.156 731 P CA 0.881 63.984 63.100 0.005 0.000 0.787 731 P CB 0.949 32.642 31.700 -0.013 0.000 0.802 732 L N 0.327 121.550 121.223 0.001 0.000 2.305 732 L HA 0.452 4.793 4.340 0.001 0.000 0.281 732 L C 1.069 177.928 176.870 -0.017 0.000 1.085 732 L CA -0.736 54.095 54.840 -0.015 0.000 0.813 732 L CB 0.988 43.030 42.059 -0.028 0.000 1.157 732 L HN -0.105 nan 8.230 nan 0.000 0.436 733 G N 4.251 113.039 108.800 -0.020 0.000 2.327 733 G HA2 0.486 4.446 3.960 0.001 0.000 0.302 733 G HA3 0.486 4.446 3.960 0.001 0.000 0.302 733 G C -0.597 174.286 174.900 -0.028 0.000 1.113 733 G CA -0.467 44.618 45.100 -0.025 0.000 0.921 733 G HN 0.567 nan 8.290 nan 0.000 0.425 734 M N 3.935 123.510 119.600 -0.042 0.000 2.336 734 M HA 0.698 5.178 4.480 0.001 0.000 0.342 734 M C -0.767 175.498 176.300 -0.058 0.000 1.128 734 M CA -0.983 54.286 55.300 -0.052 0.000 1.016 734 M CB 1.562 34.121 32.600 -0.068 0.000 1.665 734 M HN 0.476 nan 8.290 nan 0.000 0.445 735 L N 2.797 123.977 121.223 -0.071 0.000 2.342 735 L HA 0.891 5.231 4.340 0.001 0.000 0.271 735 L C -0.855 175.902 176.870 -0.188 0.000 1.008 735 L CA -0.565 54.230 54.840 -0.076 0.000 0.818 735 L CB 2.230 44.281 42.059 -0.013 0.000 1.296 735 L HN 0.789 nan 8.230 nan 0.000 0.427 736 S N 0.354 115.974 115.700 -0.133 0.000 2.317 736 S HA 0.522 4.993 4.470 0.001 0.000 0.144 736 S C -2.674 171.949 174.600 0.038 0.000 1.660 736 S CA -0.939 57.176 58.200 -0.141 0.000 1.273 736 S CB 0.263 63.430 63.200 -0.055 0.000 1.330 736 S HN 0.561 nan 8.310 nan 0.000 0.395 737 P HA 0.150 nan 4.420 nan 0.000 0.285 737 P C -0.116 177.470 177.300 0.477 0.000 1.282 737 P CA -0.292 62.984 63.100 0.292 0.000 0.778 737 P CB 0.199 32.076 31.700 0.295 0.000 1.222 738 H N 0.295 119.429 119.070 0.106 0.000 2.848 738 H HA 0.097 4.654 4.556 0.001 0.000 0.341 738 H C -1.634 173.496 175.328 -0.331 0.000 1.060 738 H CA -1.730 54.268 56.048 -0.083 0.000 1.444 738 H CB -0.340 29.277 29.762 -0.241 0.000 1.446 738 H HN 0.345 nan 8.280 nan 0.000 0.583 739 P HA -0.084 nan 4.420 nan 0.000 0.264 739 P C 0.557 177.486 177.300 -0.618 0.000 1.193 739 P CA 0.008 62.806 63.100 -0.503 0.000 0.763 739 P CB 1.086 32.786 31.700 0.000 0.000 0.810 740 R N 4.098 124.023 120.500 -0.959 0.000 2.066 740 R HA -0.048 4.292 4.340 0.001 0.000 0.232 740 R C 1.024 176.911 176.300 -0.688 0.000 1.131 740 R CA 1.772 57.382 56.100 -0.817 0.000 0.955 740 R CB -1.037 28.646 30.300 -1.029 0.000 0.851 740 R HN 0.431 nan 8.270 nan 0.000 0.432 741 F N 0.127 120.033 119.950 -0.074 0.000 2.819 741 F HA 0.450 4.977 4.527 0.001 0.000 0.294 741 F C -0.010 175.782 175.800 -0.012 0.000 1.166 741 F CA -0.248 57.723 58.000 -0.049 0.000 1.374 741 F CB 0.463 39.365 39.000 -0.163 0.000 0.956 741 F HN -0.037 nan 8.300 nan 0.000 0.509 742 S N 0.703 116.487 115.700 0.141 0.000 2.558 742 S HA 0.388 4.859 4.470 0.001 0.000 0.277 742 S C -1.147 173.126 174.600 -0.545 0.000 1.143 742 S CA -0.746 57.395 58.200 -0.100 0.000 0.865 742 S CB 1.143 64.319 63.200 -0.041 0.000 1.102 742 S HN 0.047 nan 8.310 nan 0.000 0.454 743 M N 5.577 124.548 119.600 -1.049 0.000 2.664 743 M HA 0.319 4.799 4.480 0.001 0.000 0.332 743 M C 0.362 176.424 176.300 -0.396 0.000 1.354 743 M CA 0.852 55.619 55.300 -0.889 0.000 1.399 743 M CB -1.852 30.206 32.600 -0.904 0.000 1.224 743 M HN 0.954 nan 8.290 nan 0.000 0.479 744 H N 0.130 119.034 119.070 -0.277 0.000 1.452 744 H HA -0.255 4.302 4.556 0.001 0.000 0.090 744 H C 1.220 176.470 175.328 -0.130 0.000 0.692 744 H CA 2.462 58.396 56.048 -0.190 0.000 1.901 744 H CB -1.412 28.248 29.762 -0.170 0.000 2.257 744 H HN 0.601 nan 8.280 nan 0.000 0.961 745 T N 0.250 114.831 114.554 0.045 0.000 3.055 745 T HA 0.121 4.472 4.350 0.001 0.000 0.265 745 T C 1.386 176.011 174.700 -0.124 0.000 1.111 745 T CA 1.112 63.182 62.100 -0.051 0.000 1.118 745 T CB -0.140 68.684 68.868 -0.072 0.000 0.909 745 T HN 0.277 nan 8.240 nan 0.000 0.501 746 M N 2.129 121.665 119.600 -0.107 0.000 3.042 746 M HA 0.446 4.926 4.480 0.001 0.000 0.283 746 M C 1.286 177.466 176.300 -0.201 0.000 1.473 746 M CA 0.197 55.400 55.300 -0.162 0.000 1.583 746 M CB 0.063 32.670 32.600 0.012 0.000 1.221 746 M HN 0.581 nan 8.290 nan 0.000 0.518 747 G N 0.741 109.387 108.800 -0.257 0.000 4.018 747 G HA2 -0.137 3.823 3.960 0.001 0.000 0.195 747 G HA3 -0.137 3.823 3.960 0.001 0.000 0.195 747 G C -0.311 174.476 174.900 -0.187 0.000 1.019 747 G CA -0.637 44.358 45.100 -0.175 0.000 0.871 747 G HN 0.521 nan 8.290 nan 0.000 0.339 748 D N 0.948 121.297 120.400 -0.086 0.000 2.357 748 D HA 0.487 5.128 4.640 0.001 0.000 0.242 748 D C 1.357 177.611 176.300 -0.077 0.000 1.153 748 D CA 2.079 56.130 54.000 0.087 0.000 0.918 748 D CB 0.613 41.617 40.800 0.340 0.000 1.181 748 D HN 1.346 nan 8.370 nan 0.000 0.435 749 G N 2.208 110.992 108.800 -0.027 0.000 2.564 749 G HA2 -0.363 3.597 3.960 0.001 0.000 0.273 749 G HA3 -0.363 3.597 3.960 0.001 0.000 0.273 749 G C 0.101 174.873 174.900 -0.213 0.000 1.242 749 G CA 0.480 45.503 45.100 -0.127 0.000 0.951 749 G HN 0.927 nan 8.290 nan 0.000 0.564 750 K N -0.980 119.290 120.400 -0.216 0.000 3.104 750 K HA -0.348 3.972 4.320 0.001 0.000 0.285 750 K C 0.716 177.229 176.600 -0.145 0.000 1.136 750 K CA 1.316 57.466 56.287 -0.228 0.000 0.842 750 K CB -1.620 30.538 32.500 -0.569 0.000 1.217 750 K HN 1.828 nan 8.250 nan 0.000 0.467 751 N N -0.012 118.613 118.700 -0.124 0.000 2.725 751 N HA -0.201 4.540 4.740 0.001 0.000 0.249 751 N C -0.093 175.363 175.510 -0.091 0.000 1.103 751 N CA 1.109 54.105 53.050 -0.089 0.000 0.707 751 N CB -0.640 37.837 38.487 -0.015 0.000 1.043 751 N HN 0.668 nan 8.380 nan 0.000 0.553 752 S N -1.446 114.152 115.700 -0.170 0.000 2.624 752 S HA 0.212 4.683 4.470 0.001 0.000 0.263 752 S C 1.277 175.874 174.600 -0.006 0.000 1.287 752 S CA -0.333 57.740 58.200 -0.212 0.000 0.990 752 S CB 0.436 63.470 63.200 -0.277 0.000 0.950 752 S HN 0.177 nan 8.310 nan 0.000 0.561 753 Y N 0.124 120.453 120.300 0.048 0.000 2.352 753 Y HA 0.026 4.577 4.550 0.001 0.000 0.292 753 Y C 2.291 178.247 175.900 0.094 0.000 1.136 753 Y CA 0.419 58.631 58.100 0.187 0.000 1.227 753 Y CB -1.221 37.297 38.460 0.098 0.000 0.991 753 Y HN 0.482 nan 8.280 nan 0.000 0.545 754 M N 0.095 119.746 119.600 0.084 0.000 2.346 754 M HA -0.180 4.300 4.480 0.001 0.000 0.263 754 M C 1.456 177.677 176.300 -0.130 0.000 1.064 754 M CA 1.100 56.350 55.300 -0.083 0.000 1.083 754 M CB -0.637 31.846 32.600 -0.195 0.000 1.399 754 M HN 0.162 nan 8.290 nan 0.000 0.435 755 N N -1.026 117.595 118.700 -0.132 0.000 2.512 755 N HA -0.099 4.642 4.740 0.001 0.000 0.183 755 N C 0.813 176.140 175.510 -0.304 0.000 1.073 755 N CA 1.041 53.991 53.050 -0.166 0.000 0.911 755 N CB -0.099 38.173 38.487 -0.358 0.000 0.964 755 N HN 0.513 nan 8.380 nan 0.000 0.447 756 Y N 0.562 120.861 120.300 -0.002 0.000 2.466 756 Y HA 0.306 4.856 4.550 0.001 0.000 0.272 756 Y C 0.912 176.756 175.900 -0.093 0.000 1.169 756 Y CA -0.394 57.683 58.100 -0.038 0.000 1.285 756 Y CB 0.252 38.687 38.460 -0.041 0.000 1.078 756 Y HN -0.117 nan 8.280 nan 0.000 0.523 757 I N 1.495 122.032 120.570 -0.055 0.000 2.533 757 I HA -0.082 4.088 4.170 0.001 0.000 0.284 757 I C 1.192 177.193 176.117 -0.194 0.000 1.109 757 I CA 0.239 61.395 61.300 -0.241 0.000 1.412 757 I CB 1.137 38.777 38.000 -0.601 0.000 1.396 757 I HN 0.242 nan 8.210 nan 0.000 0.543 758 K N 3.289 123.592 120.400 -0.161 0.000 2.059 758 K HA -0.236 4.085 4.320 0.001 0.000 0.212 758 K C 0.950 177.505 176.600 -0.074 0.000 1.050 758 K CA 1.708 57.941 56.287 -0.090 0.000 0.927 758 K CB -0.076 32.384 32.500 -0.066 0.000 0.714 758 K HN 0.567 nan 8.250 nan 0.000 0.447 759 D N -0.894 119.448 120.400 -0.097 0.000 2.336 759 D HA -0.019 4.621 4.640 0.001 0.000 0.228 759 D C 0.962 177.379 176.300 0.194 0.000 1.120 759 D CA 0.254 54.304 54.000 0.083 0.000 0.839 759 D CB 0.257 41.219 40.800 0.269 0.000 0.932 759 D HN 0.241 nan 8.370 nan 0.000 0.509 760 H N -0.654 118.353 119.070 -0.105 0.000 2.367 760 H HA 0.425 4.981 4.556 0.001 0.000 0.304 760 H C 0.033 175.245 175.328 -0.193 0.000 1.023 760 H CA 0.614 56.621 56.048 -0.068 0.000 1.342 760 H CB 0.606 30.303 29.762 -0.109 0.000 1.486 760 H HN -0.192 nan 8.280 nan 0.000 0.596 761 R N 0.047 120.424 120.500 -0.206 0.000 2.725 761 R HA 0.530 4.871 4.340 0.001 0.000 0.277 761 R C -1.672 174.595 176.300 -0.056 0.000 0.987 761 R CA -1.023 54.971 56.100 -0.177 0.000 0.901 761 R CB 3.160 33.382 30.300 -0.130 0.000 1.207 761 R HN -0.008 nan 8.270 nan 0.000 0.463 762 V N 1.738 121.660 119.914 0.013 0.000 2.409 762 V HA 0.214 4.335 4.120 0.001 0.000 0.291 762 V C -0.158 176.015 176.094 0.131 0.000 1.020 762 V CA -0.717 61.617 62.300 0.057 0.000 0.848 762 V CB 1.482 33.340 31.823 0.058 0.000 0.990 762 V HN 0.713 nan 8.190 nan 0.000 0.430 763 E N 4.012 124.273 120.200 0.101 0.000 2.217 763 E HA 0.432 4.782 4.350 0.001 0.000 0.279 763 E C -1.281 175.432 176.600 0.188 0.000 1.068 763 E CA -0.181 56.303 56.400 0.139 0.000 0.882 763 E CB 1.070 30.824 29.700 0.091 0.000 1.039 763 E HN 0.514 nan 8.360 nan 0.000 0.418 764 V N 5.430 125.533 119.914 0.314 0.000 2.482 764 V HA 0.124 4.244 4.120 0.001 0.000 0.295 764 V C -0.613 175.673 176.094 0.320 0.000 1.026 764 V CA -0.850 61.606 62.300 0.259 0.000 0.856 764 V CB 1.722 33.644 31.823 0.164 0.000 1.001 764 V HN 0.881 nan 8.190 nan 0.000 0.424 765 D N 4.281 124.805 120.400 0.207 0.000 2.689 765 D HA -0.188 4.452 4.640 0.001 0.000 0.237 765 D C 1.302 177.733 176.300 0.217 0.000 1.148 765 D CA 1.686 55.802 54.000 0.192 0.000 0.656 765 D CB -1.013 39.904 40.800 0.195 0.000 1.050 765 D HN 1.481 nan 8.370 nan 0.000 0.426 766 G N -0.662 108.251 108.800 0.188 0.000 2.179 766 G HA2 -0.360 3.601 3.960 0.001 0.000 0.260 766 G HA3 -0.360 3.601 3.960 0.001 0.000 0.260 766 G C -0.066 174.952 174.900 0.196 0.000 0.977 766 G CA 0.573 45.773 45.100 0.166 0.000 0.641 766 G HN 0.585 nan 8.290 nan 0.000 0.533 767 Y N 0.845 121.193 120.300 0.079 0.000 2.391 767 Y HA 0.594 5.144 4.550 0.001 0.000 0.341 767 Y C -0.053 175.793 175.900 -0.090 0.000 0.965 767 Y CA -1.214 56.831 58.100 -0.092 0.000 1.067 767 Y CB 1.313 39.596 38.460 -0.296 0.000 1.199 767 Y HN 0.037 nan 8.280 nan 0.000 0.450 768 K N 6.399 126.491 120.400 -0.513 0.000 2.250 768 K HA 0.210 4.531 4.320 0.001 0.000 0.285 768 K C -1.557 174.873 176.600 -0.283 0.000 1.097 768 K CA -0.241 55.881 56.287 -0.275 0.000 0.913 768 K CB 0.403 32.720 32.500 -0.306 0.000 1.179 768 K HN 0.491 nan 8.250 nan 0.000 0.462 769 Y N 1.294 121.637 120.300 0.070 0.000 2.301 769 Y HA 0.101 4.652 4.550 0.001 0.000 0.325 769 Y C 0.633 176.614 175.900 0.134 0.000 1.203 769 Y CA -0.736 57.471 58.100 0.179 0.000 1.255 769 Y CB 0.662 39.235 38.460 0.189 0.000 1.232 769 Y HN 0.543 nan 8.280 nan 0.000 0.501 770 W N 4.431 125.798 121.300 0.112 0.000 2.137 770 W HA 0.276 4.936 4.660 0.001 0.000 0.344 770 W C -0.935 175.605 176.519 0.035 0.000 1.286 770 W CA -0.377 56.968 57.345 0.001 0.000 1.240 770 W CB 0.483 29.941 29.460 -0.003 0.000 1.141 770 W HN 0.414 nan 8.180 nan 0.000 0.579 771 I N 5.855 126.236 120.570 -0.314 0.000 2.428 771 I HA 0.285 4.456 4.170 0.001 0.000 0.296 771 I C 0.196 176.243 176.117 -0.116 0.000 0.985 771 I CA -0.713 60.475 61.300 -0.188 0.000 1.260 771 I CB 1.665 39.522 38.000 -0.239 0.000 1.389 771 I HN 0.256 nan 8.210 nan 0.000 0.484 772 M N 6.130 125.709 119.600 -0.035 0.000 2.197 772 M HA 0.467 4.947 4.480 0.001 0.000 0.301 772 M C -1.212 175.061 176.300 -0.044 0.000 0.987 772 M CA -0.484 54.805 55.300 -0.018 0.000 0.921 772 M CB 1.373 33.983 32.600 0.017 0.000 1.569 772 M HN 0.487 nan 8.290 nan 0.000 0.431 773 R N 3.111 123.569 120.500 -0.071 0.000 2.308 773 R HA 0.652 4.992 4.340 0.001 0.000 0.305 773 R C -1.207 175.058 176.300 -0.057 0.000 1.053 773 R CA -0.512 55.528 56.100 -0.099 0.000 0.957 773 R CB 1.302 31.465 30.300 -0.228 0.000 1.022 773 R HN 0.520 nan 8.270 nan 0.000 0.461 774 V N 2.963 122.855 119.914 -0.038 0.000 2.638 774 V HA 0.175 4.296 4.120 0.001 0.000 0.306 774 V C -0.125 175.966 176.094 -0.005 0.000 1.052 774 V CA -1.180 61.110 62.300 -0.016 0.000 0.885 774 V CB 1.843 33.662 31.823 -0.007 0.000 0.999 774 V HN 0.753 nan 8.190 nan 0.000 0.424 775 N N 2.356 121.061 118.700 0.008 0.000 2.492 775 N HA -0.017 4.723 4.740 0.001 0.000 0.260 775 N C 1.568 177.086 175.510 0.014 0.000 1.215 775 N CA 0.778 53.841 53.050 0.021 0.000 0.923 775 N CB 1.668 40.174 38.487 0.032 0.000 1.092 775 N HN 0.882 nan 8.380 nan 0.000 0.448 776 S N 4.411 120.120 115.700 0.016 0.000 2.380 776 S HA -0.220 4.250 4.470 0.001 0.000 0.229 776 S C 2.021 176.627 174.600 0.010 0.000 1.043 776 S CA 1.125 59.332 58.200 0.012 0.000 1.038 776 S CB -0.501 62.707 63.200 0.013 0.000 0.872 776 S HN 0.682 nan 8.310 nan 0.000 0.456 777 I N 2.370 122.946 120.570 0.010 0.000 2.226 777 I HA -0.165 4.005 4.170 0.001 0.000 0.245 777 I C 2.153 178.273 176.117 0.006 0.000 1.100 777 I CA 1.668 62.972 61.300 0.006 0.000 1.374 777 I CB -0.465 37.536 38.000 0.003 0.000 1.057 777 I HN 0.313 nan 8.210 nan 0.000 0.413 778 D N 1.001 121.405 120.400 0.006 0.000 2.162 778 D HA -0.059 4.582 4.640 0.001 0.000 0.203 778 D C 2.264 178.570 176.300 0.010 0.000 0.967 778 D CA 1.312 55.316 54.000 0.006 0.000 0.840 778 D CB -0.019 40.784 40.800 0.004 0.000 0.972 778 D HN 0.323 nan 8.370 nan 0.000 0.482 779 A N 1.551 124.377 122.820 0.010 0.000 1.858 779 A HA -0.194 4.126 4.320 0.001 0.000 0.216 779 A C 2.161 179.754 177.584 0.014 0.000 1.190 779 A CA 1.345 53.390 52.037 0.013 0.000 0.617 779 A CB -0.426 18.580 19.000 0.009 0.000 0.827 779 A HN 0.014 nan 8.150 nan 0.000 0.443 780 E N 0.458 120.665 120.200 0.012 0.000 2.085 780 E HA -0.169 4.181 4.350 0.001 0.000 0.194 780 E C 2.121 178.729 176.600 0.013 0.000 0.994 780 E CA 1.399 57.806 56.400 0.011 0.000 0.801 780 E CB -0.467 29.238 29.700 0.009 0.000 0.743 780 E HN 0.461 nan 8.360 nan 0.000 0.453 781 A N 0.613 123.440 122.820 0.012 0.000 2.178 781 A HA -0.120 4.201 4.320 0.001 0.000 0.218 781 A C 1.900 179.496 177.584 0.020 0.000 1.157 781 A CA 1.126 53.171 52.037 0.013 0.000 0.689 781 A CB -0.268 18.738 19.000 0.010 0.000 0.787 781 A HN 0.156 nan 8.150 nan 0.000 0.465 782 R N -1.946 118.569 120.500 0.024 0.000 2.508 782 R HA 0.283 4.623 4.340 0.001 0.000 0.300 782 R C 0.971 177.291 176.300 0.033 0.000 0.970 782 R CA 0.396 56.516 56.100 0.034 0.000 1.102 782 R CB 0.319 30.643 30.300 0.041 0.000 1.246 782 R HN 0.548 nan 8.270 nan 0.000 0.539 783 G N 1.967 110.782 108.800 0.025 0.000 2.198 783 G HA2 -0.281 3.680 3.960 0.001 0.000 0.260 783 G HA3 -0.281 3.680 3.960 0.001 0.000 0.260 783 G C 0.074 174.988 174.900 0.024 0.000 1.025 783 G CA 0.098 45.211 45.100 0.022 0.000 0.769 783 G HN 0.265 nan 8.290 nan 0.000 0.507 784 I N 0.043 120.627 120.570 0.024 0.000 2.353 784 I HA 0.417 4.588 4.170 0.001 0.000 0.293 784 I C 0.586 176.713 176.117 0.017 0.000 0.992 784 I CA -0.408 60.906 61.300 0.024 0.000 1.268 784 I CB 1.339 39.356 38.000 0.027 0.000 1.387 784 I HN 0.002 nan 8.210 nan 0.000 0.478 785 K N 4.252 124.661 120.400 0.015 0.000 2.306 785 K HA 0.348 4.668 4.320 0.001 0.000 0.236 785 K C -0.391 176.214 176.600 0.008 0.000 1.013 785 K CA -0.999 55.295 56.287 0.010 0.000 0.857 785 K CB 1.512 34.019 32.500 0.010 0.000 1.214 785 K HN 0.498 nan 8.250 nan 0.000 0.449 786 N N 0.231 118.934 118.700 0.005 0.000 2.412 786 N HA -0.086 4.654 4.740 0.001 0.000 0.258 786 N C 0.680 176.193 175.510 0.005 0.000 1.236 786 N CA 1.378 54.429 53.050 0.002 0.000 0.882 786 N CB 0.289 38.777 38.487 0.001 0.000 1.066 786 N HN 0.822 nan 8.380 nan 0.000 0.465 787 G N 2.198 111.001 108.800 0.003 0.000 2.225 787 G HA2 -0.237 3.723 3.960 0.001 0.000 0.254 787 G HA3 -0.237 3.723 3.960 0.001 0.000 0.254 787 G C -0.197 174.702 174.900 -0.001 0.000 0.988 787 G CA -0.040 45.064 45.100 0.007 0.000 0.625 787 G HN 0.633 nan 8.290 nan 0.000 0.527 788 D N 0.567 120.968 120.400 0.001 0.000 2.399 788 D HA 0.403 5.044 4.640 0.001 0.000 0.241 788 D C 1.093 177.382 176.300 -0.017 0.000 1.133 788 D CA 0.016 54.018 54.000 0.003 0.000 0.890 788 D CB 0.725 41.536 40.800 0.019 0.000 1.201 788 D HN 0.290 nan 8.370 nan 0.000 0.432 789 L N 2.881 124.094 121.223 -0.018 0.000 2.290 789 L HA 0.369 4.710 4.340 0.001 0.000 0.284 789 L C 0.542 177.452 176.870 0.067 0.000 1.078 789 L CA -0.432 54.374 54.840 -0.057 0.000 0.815 789 L CB 0.233 42.258 42.059 -0.056 0.000 1.162 789 L HN 0.254 nan 8.230 nan 0.000 0.435 790 I N 0.903 121.491 120.570 0.030 0.000 3.067 790 I HA 0.627 4.797 4.170 0.001 0.000 0.312 790 I C -0.610 175.538 176.117 0.051 0.000 1.073 790 I CA -1.080 60.270 61.300 0.083 0.000 1.016 790 I CB 2.236 40.269 38.000 0.055 0.000 1.227 790 I HN 0.577 nan 8.210 nan 0.000 0.456 791 R N 2.945 123.506 120.500 0.102 0.000 2.360 791 R HA 0.741 5.082 4.340 0.001 0.000 0.318 791 R C -1.243 175.137 176.300 0.133 0.000 0.950 791 R CA -0.485 55.649 56.100 0.056 0.000 0.837 791 R CB 1.648 31.989 30.300 0.068 0.000 1.165 791 R HN 0.954 nan 8.270 nan 0.000 0.458 792 A N 4.728 127.583 122.820 0.057 0.000 2.290 792 A HA 0.544 4.865 4.320 0.001 0.000 0.310 792 A C -1.341 176.276 177.584 0.054 0.000 1.202 792 A CA -0.485 51.563 52.037 0.018 0.000 0.837 792 A CB 0.360 19.341 19.000 -0.031 0.000 1.139 792 A HN 0.803 nan 8.150 nan 0.000 0.509 793 Y N 0.732 120.956 120.300 -0.127 0.000 2.656 793 Y HA 0.731 5.282 4.550 0.001 0.000 0.334 793 Y C -0.717 174.979 175.900 -0.339 0.000 1.179 793 Y CA -1.108 56.883 58.100 -0.181 0.000 1.050 793 Y CB 1.064 39.457 38.460 -0.111 0.000 1.308 793 Y HN 0.815 nan 8.280 nan 0.000 0.456 794 N N -1.535 116.970 118.700 -0.325 0.000 3.449 794 N HA 0.226 4.966 4.740 0.001 0.000 0.312 794 N C -0.682 174.700 175.510 -0.213 0.000 1.557 794 N CA -0.384 52.070 53.050 -0.993 0.000 0.864 794 N CB 0.126 37.977 38.487 -1.061 0.000 1.799 794 N HN 0.521 nan 8.380 nan 0.000 0.554 795 D N -0.377 119.966 120.400 -0.095 0.000 2.263 795 D HA -0.054 4.586 4.640 0.001 0.000 0.208 795 D C 1.180 177.564 176.300 0.141 0.000 0.971 795 D CA 1.017 55.123 54.000 0.178 0.000 0.867 795 D CB -0.063 40.853 40.800 0.195 0.000 0.929 795 D HN 0.439 nan 8.370 nan 0.000 0.492 796 R N -0.054 120.432 120.500 -0.023 0.000 2.193 796 R HA 0.264 4.604 4.340 0.001 0.000 0.213 796 R C 1.315 177.429 176.300 -0.311 0.000 1.055 796 R CA 0.733 56.781 56.100 -0.087 0.000 0.995 796 R CB 0.365 30.602 30.300 -0.104 0.000 0.893 796 R HN 0.137 nan 8.270 nan 0.000 0.459 797 G N -1.431 107.042 108.800 -0.545 0.000 2.333 797 G HA2 0.179 4.140 3.960 0.001 0.000 0.288 797 G HA3 0.179 4.140 3.960 0.001 0.000 0.288 797 G C -1.423 173.070 174.900 -0.678 0.000 1.286 797 G CA -0.790 43.532 45.100 -1.298 0.000 0.865 797 G HN -0.014 nan 8.290 nan 0.000 0.506 798 S N -1.440 113.959 115.700 -0.501 0.000 2.541 798 S HA 0.762 5.232 4.470 0.001 0.000 0.280 798 S C -0.891 173.628 174.600 -0.135 0.000 1.112 798 S CA -0.519 57.588 58.200 -0.154 0.000 0.925 798 S CB 2.013 65.175 63.200 -0.063 0.000 1.067 798 S HN 1.121 nan 8.310 nan 0.000 0.479 799 V N 3.412 123.260 119.914 -0.109 0.000 2.577 799 V HA 0.482 4.602 4.120 0.001 0.000 0.303 799 V C -1.046 174.972 176.094 -0.127 0.000 1.042 799 V CA -0.653 61.584 62.300 -0.105 0.000 0.872 799 V CB 1.617 33.395 31.823 -0.075 0.000 0.998 799 V HN 0.744 nan 8.190 nan 0.000 0.423 800 I N 6.108 126.560 120.570 -0.197 0.000 2.371 800 I HA 0.528 4.698 4.170 0.001 0.000 0.290 800 I C -0.038 176.050 176.117 -0.048 0.000 1.028 800 I CA 0.392 61.520 61.300 -0.288 0.000 1.345 800 I CB 0.868 38.473 38.000 -0.658 0.000 1.407 800 I HN 0.440 nan 8.210 nan 0.000 0.501 801 L N 4.891 126.091 121.223 -0.037 0.000 2.403 801 L HA 0.852 5.193 4.340 0.001 0.000 0.253 801 L C -0.416 176.446 176.870 -0.014 0.000 1.045 801 L CA -1.145 53.744 54.840 0.081 0.000 0.845 801 L CB 1.657 43.785 42.059 0.116 0.000 1.447 801 L HN 0.517 nan 8.230 nan 0.000 0.411 802 A N 0.744 123.592 122.820 0.047 0.000 2.274 802 A HA 0.808 5.128 4.320 0.001 0.000 0.309 802 A C -0.121 177.464 177.584 0.002 0.000 1.226 802 A CA -0.365 51.670 52.037 -0.003 0.000 0.853 802 A CB 0.875 19.907 19.000 0.053 0.000 1.146 802 A HN 0.708 nan 8.150 nan 0.000 0.518 803 A N 2.346 125.161 122.820 -0.007 0.000 2.363 803 A HA 0.542 4.863 4.320 0.001 0.000 0.270 803 A C 0.138 177.714 177.584 -0.012 0.000 1.121 803 A CA -0.232 51.801 52.037 -0.006 0.000 0.800 803 A CB 0.256 19.256 19.000 0.001 0.000 1.052 803 A HN 0.853 nan 8.150 nan 0.000 0.493 804 Q N 2.792 122.578 119.800 -0.024 0.000 2.363 804 Q HA 0.478 4.819 4.340 0.001 0.000 0.265 804 Q C -1.477 174.506 176.000 -0.028 0.000 1.032 804 Q CA -0.495 55.291 55.803 -0.028 0.000 0.746 804 Q CB 1.275 29.986 28.738 -0.044 0.000 1.237 804 Q HN 0.561 nan 8.270 nan 0.000 0.475 805 V N 3.616 123.520 119.914 -0.016 0.000 2.508 805 V HA 0.311 4.432 4.120 0.001 0.000 0.281 805 V C 0.376 176.462 176.094 -0.014 0.000 1.041 805 V CA 0.279 62.573 62.300 -0.011 0.000 1.016 805 V CB 1.042 32.864 31.823 -0.003 0.000 0.984 805 V HN 0.808 nan 8.190 nan 0.000 0.478 806 T N 2.830 117.376 114.554 -0.012 0.000 2.816 806 T HA 0.396 4.746 4.350 0.001 0.000 0.299 806 T C 0.153 174.861 174.700 0.015 0.000 1.230 806 T CA -0.534 61.560 62.100 -0.011 0.000 1.007 806 T CB 2.122 70.969 68.868 -0.036 0.000 1.289 806 T HN 0.631 nan 8.240 nan 0.000 0.508 807 E N 0.737 120.952 120.200 0.024 0.000 2.498 807 E HA 0.173 4.524 4.350 0.001 0.000 0.203 807 E C 1.180 177.861 176.600 0.136 0.000 1.013 807 E CA 0.156 56.599 56.400 0.072 0.000 0.927 807 E CB -0.076 29.662 29.700 0.065 0.000 1.012 807 E HN 0.598 nan 8.360 nan 0.000 0.482 808 C N 1.435 120.765 119.300 0.050 0.000 2.477 808 C HA 0.238 4.699 4.460 0.001 0.000 0.321 808 C C 0.768 175.916 174.990 0.262 0.000 1.369 808 C CA 0.039 59.043 59.018 -0.023 0.000 1.607 808 C CB -1.886 25.764 27.740 -0.151 0.000 1.632 808 C HN 0.138 nan 8.230 nan 0.000 0.597 809 L N -0.179 121.262 121.223 0.363 0.000 2.472 809 L HA 0.333 4.673 4.340 0.001 0.000 0.260 809 L C -0.304 176.696 176.870 0.216 0.000 0.963 809 L CA -0.400 54.636 54.840 0.327 0.000 0.829 809 L CB 1.453 43.598 42.059 0.143 0.000 1.348 809 L HN 0.065 nan 8.230 nan 0.000 0.408 810 Q N 3.054 122.926 119.800 0.120 0.000 2.337 810 Q HA 0.249 4.589 4.340 0.001 0.000 0.270 810 Q C -2.297 173.712 176.000 0.014 0.000 1.002 810 Q CA -1.378 54.429 55.803 0.006 0.000 0.888 810 Q CB 1.120 29.815 28.738 -0.072 0.000 1.222 810 Q HN 0.223 nan 8.270 nan 0.000 0.400 811 P HA -0.056 nan 4.420 nan 0.000 0.261 811 P C 0.049 177.341 177.300 -0.012 0.000 1.173 811 P CA 1.603 64.702 63.100 -0.002 0.000 0.760 811 P CB 0.415 32.108 31.700 -0.011 0.000 0.783 812 G N 1.412 110.208 108.800 -0.007 0.000 2.176 812 G HA2 -0.168 3.792 3.960 0.001 0.000 0.232 812 G HA3 -0.168 3.792 3.960 0.001 0.000 0.232 812 G C 0.108 175.002 174.900 -0.010 0.000 0.986 812 G CA -0.092 44.999 45.100 -0.014 0.000 0.643 812 G HN 0.603 nan 8.290 nan 0.000 0.522 813 T N 0.855 115.411 114.554 0.003 0.000 2.824 813 T HA 0.662 5.012 4.350 0.001 0.000 0.282 813 T C 0.079 174.789 174.700 0.016 0.000 0.993 813 T CA 0.125 62.232 62.100 0.012 0.000 0.967 813 T CB 2.457 71.346 68.868 0.035 0.000 0.960 813 T HN 1.353 nan 8.240 nan 0.000 0.441 814 V N 0.746 120.662 119.914 0.003 0.000 2.815 814 V HA 0.735 4.855 4.120 0.001 0.000 0.314 814 V C -0.796 175.300 176.094 0.004 0.000 1.064 814 V CA -0.852 61.446 62.300 -0.004 0.000 0.952 814 V CB 2.047 33.857 31.823 -0.022 0.000 1.020 814 V HN 0.952 nan 8.190 nan 0.000 0.439 815 H N 2.034 121.006 119.070 -0.163 0.000 2.679 815 H HA 0.749 5.306 4.556 0.001 0.000 0.360 815 H C -1.516 173.652 175.328 -0.267 0.000 1.105 815 H CA -0.048 55.848 56.048 -0.252 0.000 1.196 815 H CB 2.153 31.642 29.762 -0.456 0.000 1.636 815 H HN 0.957 nan 8.280 nan 0.000 0.531 816 S N 5.174 120.595 115.700 -0.465 0.000 2.652 816 S HA 0.286 4.757 4.470 0.001 0.000 0.273 816 S C -1.322 173.171 174.600 -0.179 0.000 1.172 816 S CA -0.530 57.550 58.200 -0.200 0.000 1.009 816 S CB 0.187 63.413 63.200 0.043 0.000 1.094 816 S HN 0.532 nan 8.310 nan 0.000 0.471 817 Y N 2.695 123.016 120.300 0.035 0.000 2.607 817 Y HA 0.157 4.707 4.550 0.001 0.000 0.348 817 Y C 1.357 177.501 175.900 0.407 0.000 1.261 817 Y CA 0.244 58.450 58.100 0.177 0.000 1.480 817 Y CB 0.547 39.143 38.460 0.226 0.000 1.358 817 Y HN 0.783 nan 8.280 nan 0.000 0.630 818 E N -1.271 119.187 120.200 0.430 0.000 2.961 818 E HA 0.491 4.841 4.350 0.001 0.000 0.254 818 E C -0.065 176.641 176.600 0.177 0.000 1.192 818 E CA -0.286 56.235 56.400 0.203 0.000 1.069 818 E CB 0.752 30.507 29.700 0.091 0.000 1.338 818 E HN 0.493 nan 8.360 nan 0.000 0.596 819 S N -2.390 113.310 115.700 0.000 0.000 3.228 819 S HA -0.256 4.215 4.470 0.001 0.000 0.282 819 S C 0.360 174.877 174.600 -0.138 0.000 1.286 819 S CA 0.566 58.756 58.200 -0.017 0.000 1.066 819 S CB -2.731 60.550 63.200 0.136 0.000 1.277 819 S HN 0.828 nan 8.310 nan 0.000 0.661 820 C N 2.322 121.355 119.300 -0.446 0.000 2.465 820 C HA 0.415 4.875 4.460 0.001 0.000 0.402 820 C C 1.901 176.672 174.990 -0.365 0.000 1.448 820 C CA 0.445 58.986 59.018 -0.796 0.000 1.589 820 C CB -0.391 26.591 27.740 -1.263 0.000 2.535 820 C HN 0.799 nan 8.230 nan 0.000 0.600 821 A N 4.820 127.498 122.820 -0.237 0.000 2.132 821 A HA 0.289 4.610 4.320 0.001 0.000 0.213 821 A C 0.690 178.186 177.584 -0.146 0.000 1.154 821 A CA 0.510 52.447 52.037 -0.166 0.000 0.753 821 A CB -0.079 18.829 19.000 -0.153 0.000 0.826 821 A HN 0.849 nan 8.150 nan 0.000 0.469 822 V N 0.528 120.350 119.914 -0.155 0.000 2.364 822 V HA 0.256 4.376 4.120 0.001 0.000 0.272 822 V C -0.727 175.344 176.094 -0.039 0.000 1.036 822 V CA -0.498 61.743 62.300 -0.099 0.000 0.880 822 V CB 0.591 32.358 31.823 -0.094 0.000 0.991 822 V HN 0.381 nan 8.190 nan 0.000 0.460 823 Y N 4.346 124.564 120.300 -0.137 0.000 2.369 823 Y HA 0.613 5.163 4.550 0.001 0.000 0.337 823 Y C -0.390 175.461 175.900 -0.081 0.000 0.961 823 Y CA -1.402 56.636 58.100 -0.103 0.000 1.186 823 Y CB 1.344 39.766 38.460 -0.063 0.000 1.139 823 Y HN 0.702 nan 8.280 nan 0.000 0.494 824 D N 8.995 129.083 120.400 -0.521 0.000 2.405 824 D HA 0.346 4.986 4.640 0.001 0.000 0.264 824 D C -3.135 172.875 176.300 -0.484 0.000 1.240 824 D CA -2.263 51.475 54.000 -0.437 0.000 0.893 824 D CB 1.316 42.015 40.800 -0.167 0.000 1.198 824 D HN 0.219 nan 8.370 nan 0.000 0.514 825 P HA 0.145 nan 4.420 nan 0.000 0.271 825 P C 1.054 178.250 177.300 -0.174 0.000 1.216 825 P CA -0.291 62.593 63.100 -0.360 0.000 0.771 825 P CB 1.063 32.590 31.700 -0.290 0.000 0.864 826 L N 0.875 122.051 121.223 -0.078 0.000 2.395 826 L HA 0.149 4.490 4.340 0.001 0.000 0.218 826 L C 1.477 178.362 176.870 0.026 0.000 1.130 826 L CA 0.947 55.780 54.840 -0.012 0.000 0.826 826 L CB -0.507 41.590 42.059 0.063 0.000 0.941 826 L HN 0.546 nan 8.230 nan 0.000 0.451 827 G N -1.198 107.624 108.800 0.036 0.000 3.247 827 G HA2 0.255 4.215 3.960 0.001 0.000 0.199 827 G HA3 0.255 4.215 3.960 0.001 0.000 0.199 827 G C -0.737 174.195 174.900 0.055 0.000 1.172 827 G CA -0.244 44.888 45.100 0.053 0.000 0.844 827 G HN -0.147 nan 8.290 nan 0.000 0.619 828 T N 1.676 116.279 114.554 0.082 0.000 2.902 828 T HA 0.445 4.795 4.350 0.001 0.000 0.301 828 T C 0.804 175.600 174.700 0.159 0.000 1.012 828 T CA 0.479 62.641 62.100 0.103 0.000 1.151 828 T CB 0.752 69.683 68.868 0.106 0.000 0.946 828 T HN 0.882 nan 8.240 nan 0.000 0.542 829 A N 2.774 125.711 122.820 0.196 0.000 2.540 829 A HA 0.471 4.792 4.320 0.001 0.000 0.239 829 A C 1.716 179.519 177.584 0.364 0.000 1.061 829 A CA 0.194 52.450 52.037 0.364 0.000 0.758 829 A CB -0.826 18.465 19.000 0.486 0.000 0.991 829 A HN 1.667 nan 8.150 nan 0.000 0.502 830 G N 1.651 110.692 108.800 0.401 0.000 2.189 830 G HA2 -0.301 3.659 3.960 0.001 0.000 0.267 830 G HA3 -0.301 3.659 3.960 0.001 0.000 0.267 830 G C 0.643 175.678 174.900 0.226 0.000 0.975 830 G CA 1.072 46.319 45.100 0.244 0.000 0.644 830 G HN 0.861 nan 8.290 nan 0.000 0.537 831 K N -0.235 120.317 120.400 0.254 0.000 2.483 831 K HA 0.354 4.674 4.320 0.001 0.000 0.206 831 K C 0.553 177.356 176.600 0.339 0.000 1.086 831 K CA 0.659 57.107 56.287 0.268 0.000 1.052 831 K CB 1.050 33.658 32.500 0.180 0.000 0.904 831 K HN 0.582 nan 8.250 nan 0.000 0.557 832 S N -0.599 115.304 115.700 0.339 0.000 2.671 832 S HA 0.691 5.162 4.470 0.001 0.000 0.277 832 S C -0.602 174.169 174.600 0.286 0.000 1.165 832 S CA -1.105 57.305 58.200 0.349 0.000 0.822 832 S CB 1.458 64.781 63.200 0.205 0.000 1.150 832 S HN 0.076 nan 8.310 nan 0.000 0.479 833 A N 0.515 123.505 122.820 0.283 0.000 2.498 833 A HA 0.479 4.800 4.320 0.001 0.000 0.239 833 A C -0.091 177.498 177.584 0.007 0.000 1.068 833 A CA 0.221 52.336 52.037 0.131 0.000 0.766 833 A CB -0.615 18.477 19.000 0.153 0.000 1.003 833 A HN 0.860 nan 8.150 nan 0.000 0.497 834 D N -0.100 120.270 120.400 -0.050 0.000 2.185 834 D HA 0.467 5.107 4.640 0.001 0.000 0.247 834 D C 0.858 177.073 176.300 -0.142 0.000 1.027 834 D CA -0.639 53.297 54.000 -0.106 0.000 0.861 834 D CB 0.974 41.771 40.800 -0.004 0.000 1.202 834 D HN 0.514 nan 8.370 nan 0.000 0.453 835 R N 1.983 122.378 120.500 -0.175 0.000 2.437 835 R HA 0.317 4.658 4.340 0.001 0.000 0.257 835 R C 1.367 177.658 176.300 -0.014 0.000 0.927 835 R CA -0.145 55.874 56.100 -0.136 0.000 1.078 835 R CB 0.276 30.404 30.300 -0.287 0.000 1.161 835 R HN 0.397 nan 8.270 nan 0.000 0.529 836 G N 1.046 109.817 108.800 -0.048 0.000 2.402 836 G HA2 0.094 4.054 3.960 0.001 0.000 0.216 836 G HA3 0.094 4.054 3.960 0.001 0.000 0.216 836 G C 1.063 175.918 174.900 -0.074 0.000 1.162 836 G CA 0.861 45.951 45.100 -0.016 0.000 0.777 836 G HN 0.606 nan 8.290 nan 0.000 0.539 837 G N -2.291 106.418 108.800 -0.152 0.000 2.148 837 G HA2 -0.160 3.800 3.960 0.001 0.000 0.120 837 G HA3 -0.160 3.800 3.960 0.001 0.000 0.120 837 G C 0.105 174.645 174.900 -0.600 0.000 1.034 837 G CA -0.176 44.714 45.100 -0.350 0.000 0.710 837 G HN 0.513 nan 8.290 nan 0.000 0.495 838 C N 2.457 121.567 119.300 -0.317 0.000 2.485 838 C HA 0.259 4.719 4.460 0.001 0.000 0.408 838 C C 2.246 177.113 174.990 -0.205 0.000 1.034 838 C CA -0.545 58.308 59.018 -0.274 0.000 1.267 838 C CB -1.753 25.912 27.740 -0.125 0.000 1.703 838 C HN 0.460 nan 8.230 nan 0.000 0.530 839 I N 2.633 123.072 120.570 -0.219 0.000 2.423 839 I HA -0.134 4.036 4.170 0.001 0.000 0.254 839 I C 2.101 178.154 176.117 -0.107 0.000 1.151 839 I CA 1.430 62.664 61.300 -0.108 0.000 1.421 839 I CB -0.664 37.325 38.000 -0.018 0.000 1.079 839 I HN 0.611 nan 8.210 nan 0.000 0.431 840 N N 0.817 119.440 118.700 -0.128 0.000 2.609 840 N HA -0.049 4.691 4.740 0.001 0.000 0.190 840 N C 1.760 177.197 175.510 -0.123 0.000 1.157 840 N CA 0.490 53.468 53.050 -0.120 0.000 0.918 840 N CB -0.032 38.368 38.487 -0.145 0.000 0.978 840 N HN 0.423 nan 8.380 nan 0.000 0.448 841 I N 0.067 120.560 120.570 -0.128 0.000 2.676 841 I HA -0.162 4.009 4.170 0.001 0.000 0.259 841 I C 1.399 177.433 176.117 -0.137 0.000 1.194 841 I CA 0.793 62.014 61.300 -0.130 0.000 1.473 841 I CB 0.181 38.104 38.000 -0.129 0.000 1.096 841 I HN 0.075 nan 8.210 nan 0.000 0.443 842 L N -0.402 120.744 121.223 -0.128 0.000 2.554 842 L HA 0.091 4.431 4.340 0.001 0.000 0.225 842 L C 1.090 177.902 176.870 -0.097 0.000 1.104 842 L CA -0.081 54.679 54.840 -0.133 0.000 0.866 842 L CB -0.481 41.493 42.059 -0.142 0.000 1.047 842 L HN 0.210 nan 8.230 nan 0.000 0.468 843 T N -1.199 113.312 114.554 -0.072 0.000 2.913 843 T HA 0.257 4.607 4.350 0.001 0.000 0.297 843 T C -2.424 172.278 174.700 0.004 0.000 1.029 843 T CA -1.791 60.288 62.100 -0.034 0.000 1.104 843 T CB 0.726 69.575 68.868 -0.033 0.000 0.964 843 T HN -0.116 nan 8.240 nan 0.000 0.532 844 P HA 0.149 nan 4.420 nan 0.000 0.267 844 P C -0.090 177.280 177.300 0.117 0.000 1.205 844 P CA -0.127 63.064 63.100 0.152 0.000 0.765 844 P CB 0.687 32.625 31.700 0.397 0.000 0.828 845 D N 2.383 122.800 120.400 0.030 0.000 2.349 845 D HA -0.014 4.627 4.640 0.001 0.000 0.214 845 D C 0.794 177.029 176.300 -0.109 0.000 1.063 845 D CA -0.018 53.958 54.000 -0.041 0.000 0.847 845 D CB -0.199 40.544 40.800 -0.095 0.000 0.933 845 D HN 0.330 nan 8.370 nan 0.000 0.513 846 R N 0.520 120.970 120.500 -0.084 0.000 2.537 846 R HA 0.052 4.393 4.340 0.001 0.000 0.280 846 R C -0.469 175.816 176.300 -0.024 0.000 1.058 846 R CA -0.384 55.576 56.100 -0.234 0.000 1.057 846 R CB 0.208 30.157 30.300 -0.584 0.000 0.973 846 R HN 0.023 nan 8.270 nan 0.000 0.438 847 Y N 3.747 123.998 120.300 -0.082 0.000 2.578 847 Y HA -0.100 4.451 4.550 0.001 0.000 0.339 847 Y C 1.960 177.918 175.900 0.097 0.000 1.231 847 Y CA -0.586 57.504 58.100 -0.018 0.000 1.461 847 Y CB 0.611 39.023 38.460 -0.081 0.000 1.323 847 Y HN 0.585 nan 8.280 nan 0.000 0.590 848 I N 1.023 121.796 120.570 0.338 0.000 2.185 848 I HA -0.323 3.847 4.170 0.001 0.000 0.246 848 I C 1.059 177.418 176.117 0.403 0.000 1.088 848 I CA 1.730 63.267 61.300 0.395 0.000 1.347 848 I CB -0.434 37.652 38.000 0.144 0.000 1.041 848 I HN 0.573 nan 8.210 nan 0.000 0.415 849 S N -1.487 114.306 115.700 0.155 0.000 2.776 849 S HA 0.277 4.747 4.470 0.001 0.000 0.292 849 S C 0.447 175.044 174.600 -0.006 0.000 1.187 849 S CA -0.873 57.401 58.200 0.123 0.000 0.834 849 S CB 1.919 65.238 63.200 0.198 0.000 1.199 849 S HN 0.042 nan 8.310 nan 0.000 0.514 850 K N -0.680 119.682 120.400 -0.062 0.000 2.097 850 K HA -0.049 4.272 4.320 0.001 0.000 0.206 850 K C 0.723 177.075 176.600 -0.413 0.000 1.049 850 K CA 1.731 57.846 56.287 -0.286 0.000 0.933 850 K CB -0.297 31.921 32.500 -0.471 0.000 0.717 850 K HN 0.698 nan 8.250 nan 0.000 0.442 851 Y N -1.210 119.158 120.300 0.114 0.000 2.430 851 Y HA 0.357 4.907 4.550 0.001 0.000 0.248 851 Y C 0.395 176.204 175.900 -0.151 0.000 1.108 851 Y CA -0.316 57.842 58.100 0.096 0.000 1.264 851 Y CB 0.667 39.333 38.460 0.344 0.000 1.172 851 Y HN -0.044 nan 8.280 nan 0.000 0.520 852 A N 0.049 122.775 122.820 -0.157 0.000 2.922 852 A HA 0.289 4.609 4.320 0.001 0.000 0.298 852 A C -0.011 176.827 177.584 -1.244 0.000 1.588 852 A CA -0.388 51.277 52.037 -0.620 0.000 1.288 852 A CB -1.383 17.520 19.000 -0.161 0.000 1.130 852 A HN 0.464 nan 8.150 nan 0.000 0.557 853 C N 2.598 120.795 119.300 -1.838 0.000 3.585 853 C HA 0.420 4.880 4.460 0.001 0.000 0.575 853 C C 1.460 175.740 174.990 -1.183 0.000 1.068 853 C CA -0.079 57.779 59.018 -1.932 0.000 1.113 853 C CB -2.086 24.783 27.740 -1.451 0.000 1.381 853 C HN 0.823 nan 8.230 nan 0.000 0.635 854 G N 1.100 109.444 108.800 -0.761 0.000 2.568 854 G HA2 0.702 4.662 3.960 0.001 0.000 0.313 854 G HA3 0.702 4.662 3.960 0.001 0.000 0.313 854 G C -0.453 174.549 174.900 0.170 0.000 1.227 854 G CA -0.863 44.190 45.100 -0.078 0.000 0.979 854 G HN 0.549 nan 8.290 nan 0.000 0.486 855 M N 0.134 119.854 119.600 0.200 0.000 2.249 855 M HA 0.672 5.152 4.480 0.001 0.000 0.351 855 M C 0.149 176.536 176.300 0.145 0.000 1.180 855 M CA -0.580 54.823 55.300 0.172 0.000 1.127 855 M CB 1.963 34.628 32.600 0.109 0.000 1.546 855 M HN 0.429 nan 8.290 nan 0.000 0.461 856 A N 2.839 125.750 122.820 0.152 0.000 2.701 856 A HA 0.276 4.596 4.320 0.001 0.000 0.297 856 A C 0.546 178.132 177.584 0.003 0.000 1.197 856 A CA -0.627 51.450 52.037 0.065 0.000 0.963 856 A CB -0.756 18.285 19.000 0.068 0.000 1.175 856 A HN 1.021 nan 8.150 nan 0.000 0.531 857 N N 1.545 120.262 118.700 0.028 0.000 2.069 857 N HA -0.210 4.531 4.740 0.001 0.000 0.196 857 N C 1.002 176.500 175.510 -0.020 0.000 1.024 857 N CA 1.857 54.909 53.050 0.004 0.000 0.869 857 N CB -0.293 38.198 38.487 0.006 0.000 1.035 857 N HN 0.468 nan 8.380 nan 0.000 0.434 858 N N -0.025 118.665 118.700 -0.017 0.000 2.626 858 N HA -0.038 4.703 4.740 0.001 0.000 0.193 858 N C -0.341 175.146 175.510 -0.039 0.000 1.213 858 N CA 0.700 53.737 53.050 -0.020 0.000 0.914 858 N CB -0.224 38.261 38.487 -0.003 0.000 0.994 858 N HN 0.425 nan 8.380 nan 0.000 0.447 859 T N -1.901 112.604 114.554 -0.081 0.000 2.991 859 T HA 0.738 5.088 4.350 0.001 0.000 0.347 859 T C -0.551 174.087 174.700 -0.103 0.000 1.122 859 T CA -0.940 61.089 62.100 -0.118 0.000 1.062 859 T CB 1.533 70.272 68.868 -0.214 0.000 1.043 859 T HN 0.069 nan 8.240 nan 0.000 0.491 860 A N 4.277 127.058 122.820 -0.065 0.000 2.359 860 A HA 0.749 5.070 4.320 0.001 0.000 0.303 860 A C -0.547 177.012 177.584 -0.043 0.000 1.066 860 A CA -0.894 51.116 52.037 -0.045 0.000 0.730 860 A CB 1.119 20.086 19.000 -0.054 0.000 1.211 860 A HN 0.876 nan 8.150 nan 0.000 0.439 861 L N 3.119 124.332 121.223 -0.017 0.000 2.292 861 L HA 0.673 5.014 4.340 0.001 0.000 0.284 861 L C 0.192 177.018 176.870 -0.073 0.000 1.065 861 L CA -0.489 54.355 54.840 0.007 0.000 0.806 861 L CB 1.355 43.473 42.059 0.100 0.000 1.175 861 L HN 0.717 nan 8.230 nan 0.000 0.431 862 V N 0.207 120.075 119.914 -0.075 0.000 3.181 862 V HA 0.789 4.909 4.120 0.001 0.000 0.307 862 V C -1.373 174.643 176.094 -0.130 0.000 1.310 862 V CA -0.697 61.473 62.300 -0.217 0.000 1.067 862 V CB 2.270 33.957 31.823 -0.227 0.000 1.081 862 V HN 0.691 nan 8.190 nan 0.000 0.453 863 E N 0.376 120.374 120.200 -0.336 0.000 2.367 863 E HA 0.802 5.152 4.350 0.001 0.000 0.273 863 E C -1.173 175.209 176.600 -0.364 0.000 0.903 863 E CA -0.412 55.802 56.400 -0.310 0.000 0.764 863 E CB 1.962 31.442 29.700 -0.367 0.000 1.252 863 E HN 1.155 nan 8.360 nan 0.000 0.446 864 I N -0.492 120.019 120.570 -0.099 0.000 2.865 864 I HA 0.812 4.982 4.170 0.001 0.000 0.302 864 I C -1.120 175.075 176.117 0.130 0.000 1.140 864 I CA -0.869 60.451 61.300 0.034 0.000 1.021 864 I CB 2.317 40.324 38.000 0.012 0.000 1.233 864 I HN 0.644 nan 8.210 nan 0.000 0.427 865 E N 2.665 122.972 120.200 0.179 0.000 2.407 865 E HA 0.413 4.763 4.350 0.001 0.000 0.279 865 E C -1.727 174.966 176.600 0.154 0.000 1.012 865 E CA -1.271 55.229 56.400 0.166 0.000 0.800 865 E CB 1.577 31.405 29.700 0.214 0.000 1.276 865 E HN 0.547 nan 8.360 nan 0.000 0.452 866 K N 0.920 121.396 120.400 0.126 0.000 2.489 866 K HA -0.004 4.316 4.320 0.001 0.000 0.278 866 K C -0.653 176.069 176.600 0.204 0.000 1.000 866 K CA -0.134 56.233 56.287 0.133 0.000 1.012 866 K CB 0.426 32.976 32.500 0.084 0.000 0.903 866 K HN 0.482 nan 8.250 nan 0.000 0.485 867 W N 5.022 126.333 121.300 0.018 0.000 2.368 867 W HA 0.005 4.666 4.660 0.001 0.000 0.316 867 W C 0.345 176.897 176.519 0.055 0.000 1.375 867 W CA -0.624 56.744 57.345 0.039 0.000 1.261 867 W CB 0.231 29.700 29.460 0.014 0.000 1.298 867 W HN 0.664 nan 8.180 nan 0.000 0.539 868 D N 2.819 123.113 120.400 -0.176 0.000 2.349 868 D HA 0.129 4.769 4.640 0.001 0.000 0.224 868 D C 1.638 177.536 176.300 -0.670 0.000 1.029 868 D CA 0.591 54.406 54.000 -0.309 0.000 0.879 868 D CB -0.155 40.590 40.800 -0.093 0.000 0.906 868 D HN 0.715 nan 8.370 nan 0.000 0.528 869 G N 0.004 107.851 108.800 -1.588 0.000 2.175 869 G HA2 -0.265 3.695 3.960 0.001 0.000 0.244 869 G HA3 -0.265 3.695 3.960 0.001 0.000 0.244 869 G C -0.193 174.385 174.900 -0.537 0.000 0.982 869 G CA 0.017 44.189 45.100 -1.547 0.000 0.641 869 G HN 0.581 nan 8.290 nan 0.000 0.527 870 D N 0.282 120.581 120.400 -0.169 0.000 2.313 870 D HA 0.518 5.159 4.640 0.001 0.000 0.247 870 D C 1.741 178.248 176.300 0.345 0.000 1.094 870 D CA 0.058 54.028 54.000 -0.050 0.000 0.925 870 D CB 0.560 41.071 40.800 -0.482 0.000 1.188 870 D HN 0.329 nan 8.370 nan 0.000 0.430 871 K N 1.571 122.070 120.400 0.164 0.000 2.426 871 K HA -0.021 4.300 4.320 0.001 0.000 0.193 871 K C -0.213 176.574 176.600 0.312 0.000 1.028 871 K CA -0.127 56.326 56.287 0.278 0.000 1.047 871 K CB -0.146 32.445 32.500 0.152 0.000 0.821 871 K HN 0.517 nan 8.250 nan 0.000 0.513 872 Y N 1.905 122.291 120.300 0.144 0.000 2.988 872 Y HA -0.221 4.330 4.550 0.001 0.000 0.193 872 Y C -0.382 175.558 175.900 0.066 0.000 1.388 872 Y CA 0.705 58.863 58.100 0.096 0.000 0.904 872 Y CB -1.912 36.664 38.460 0.193 0.000 1.297 872 Y HN 0.426 nan 8.280 nan 0.000 0.432 873 E N 2.513 122.743 120.200 0.049 0.000 1.932 873 E HA 0.399 4.750 4.350 0.001 0.000 0.259 873 E C 0.831 177.389 176.600 -0.071 0.000 1.099 873 E CA 0.101 56.529 56.400 0.046 0.000 0.970 873 E CB -0.222 29.502 29.700 0.039 0.000 1.143 873 E HN 0.619 nan 8.360 nan 0.000 0.441 874 I N -0.589 119.834 120.570 -0.246 0.000 4.390 874 I HA 0.267 4.438 4.170 0.001 0.000 0.334 874 I C -0.766 175.074 176.117 -0.461 0.000 1.379 874 I CA -0.672 60.409 61.300 -0.365 0.000 1.197 874 I CB 0.069 37.816 38.000 -0.423 0.000 1.396 874 I HN 0.094 nan 8.210 nan 0.000 0.511 875 Y N 0.000 120.353 120.300 0.089 0.000 2.660 875 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 875 Y CA 0.000 58.146 58.100 0.077 0.000 1.940 875 Y CB 0.000 38.509 38.460 0.081 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758