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 1vld_1_U 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 0.000 176.309 176.300 0.016 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 G N -0.491 108.320 108.800 0.018 0.000 3.058 2 G HA2 0.733 4.695 3.960 0.003 0.000 0.282 2 G HA3 0.733 4.695 3.960 0.003 0.000 0.282 2 G C -1.218 173.694 174.900 0.020 0.000 1.248 2 G CA -0.462 44.649 45.100 0.019 0.000 0.822 2 G HN -0.030 nan 8.290 nan 0.000 0.579 3 E N -0.615 119.597 120.200 0.021 0.000 2.280 3 E HA 0.491 4.843 4.350 0.003 0.000 0.261 3 E C -0.262 176.356 176.600 0.030 0.000 1.088 3 E CA -0.566 55.847 56.400 0.022 0.000 0.915 3 E CB 2.027 31.737 29.700 0.016 0.000 1.141 3 E HN 0.158 nan 8.360 nan 0.000 0.433 4 V N 1.187 121.124 119.914 0.039 0.000 2.546 4 V HA 0.229 4.351 4.120 0.003 0.000 0.284 4 V C 0.185 176.298 176.094 0.032 0.000 1.050 4 V CA -0.546 61.790 62.300 0.060 0.000 0.981 4 V CB 1.391 33.278 31.823 0.105 0.000 0.990 4 V HN 0.307 nan 8.190 nan 0.000 0.474 5 V N 4.811 124.731 119.914 0.009 0.000 2.604 5 V HA 0.488 4.610 4.120 0.003 0.000 0.305 5 V C 0.089 176.081 176.094 -0.170 0.000 1.043 5 V CA -0.890 61.372 62.300 -0.063 0.000 0.888 5 V CB 1.925 33.723 31.823 -0.043 0.000 0.995 5 V HN 0.848 nan 8.190 nan 0.000 0.429 6 R N 4.322 124.632 120.500 -0.317 0.000 2.235 6 R HA 0.572 4.914 4.340 0.003 0.000 0.338 6 R C -1.009 175.065 176.300 -0.376 0.000 1.087 6 R CA -0.243 55.502 56.100 -0.592 0.000 0.948 6 R CB 0.260 30.054 30.300 -0.843 0.000 1.099 6 R HN 0.683 nan 8.270 nan 0.000 0.483 7 L N 1.910 122.990 121.223 -0.239 0.000 2.492 7 L HA 0.564 4.906 4.340 0.003 0.000 0.263 7 L C 0.465 177.327 176.870 -0.013 0.000 1.062 7 L CA -0.851 53.915 54.840 -0.124 0.000 0.817 7 L CB 1.867 43.872 42.059 -0.089 0.000 1.441 7 L HN 0.633 nan 8.230 nan 0.000 0.493 8 T N -2.239 112.316 114.554 0.001 0.000 2.906 8 T HA 0.580 4.932 4.350 0.003 0.000 0.295 8 T C -0.661 174.012 174.700 -0.045 0.000 1.061 8 T CA -0.727 61.408 62.100 0.059 0.000 1.000 8 T CB 2.456 71.377 68.868 0.089 0.000 1.103 8 T HN 0.563 nan 8.240 nan 0.000 0.486 9 N N -0.543 118.111 118.700 -0.076 0.000 3.387 9 N HA 0.579 5.321 4.740 0.003 0.000 0.294 9 N C -1.653 173.758 175.510 -0.165 0.000 1.519 9 N CA -0.416 52.509 53.050 -0.209 0.000 0.875 9 N CB 1.755 39.919 38.487 -0.538 0.000 1.657 9 N HN 0.811 nan 8.380 nan 0.000 0.527 10 S N -1.155 114.419 115.700 -0.210 0.000 2.752 10 S HA 0.839 5.311 4.470 0.003 0.000 0.284 10 S C -1.649 172.908 174.600 -0.072 0.000 1.189 10 S CA -0.011 58.145 58.200 -0.074 0.000 0.835 10 S CB 0.727 64.023 63.200 0.161 0.000 1.192 10 S HN 0.897 nan 8.310 nan 0.000 0.506 11 S N -0.461 115.163 115.700 -0.125 0.000 2.643 11 S HA 0.386 4.858 4.470 0.003 0.000 0.270 11 S C 0.429 174.835 174.600 -0.324 0.000 1.166 11 S CA 0.128 58.273 58.200 -0.091 0.000 0.815 11 S CB 0.417 63.558 63.200 -0.099 0.000 1.139 11 S HN 1.183 nan 8.310 nan 0.000 0.472 12 T N -2.175 112.354 114.554 -0.042 0.000 3.155 12 T HA 0.253 4.605 4.350 0.003 0.000 0.264 12 T C 1.133 175.934 174.700 0.169 0.000 1.160 12 T CA 0.809 62.919 62.100 0.017 0.000 1.075 12 T CB -0.733 68.359 68.868 0.374 0.000 0.921 12 T HN 1.211 nan 8.240 nan 0.000 0.533 13 G N -0.295 108.554 108.800 0.081 0.000 3.863 13 G HA2 0.582 4.544 3.960 0.003 0.000 0.290 13 G HA3 0.582 4.544 3.960 0.003 0.000 0.290 13 G C 0.501 175.353 174.900 -0.080 0.000 1.018 13 G CA -0.115 45.010 45.100 0.042 0.000 0.824 13 G HN 0.944 nan 8.290 nan 0.000 0.507 14 G N -0.106 108.609 108.800 -0.143 0.000 2.555 14 G HA2 0.073 4.035 3.960 0.003 0.000 0.686 14 G HA3 0.073 4.035 3.960 0.003 0.000 0.686 14 G C -3.364 171.234 174.900 -0.503 0.000 1.275 14 G CA -0.931 43.912 45.100 -0.429 0.000 0.871 14 G HN 0.159 nan 8.290 nan 0.000 0.603 15 P HA 0.550 nan 4.420 nan 0.000 0.274 15 P C 0.010 177.089 177.300 -0.369 0.000 1.231 15 P CA -0.202 62.631 63.100 -0.444 0.000 0.790 15 P CB 1.470 32.878 31.700 -0.486 0.000 0.951 16 V N -1.438 118.328 119.914 -0.247 0.000 3.049 16 V HA 0.559 4.681 4.120 0.003 0.000 0.309 16 V C -1.167 174.874 176.094 -0.087 0.000 1.148 16 V CA -1.043 61.162 62.300 -0.157 0.000 0.990 16 V CB 1.902 33.750 31.823 0.041 0.000 1.039 16 V HN 0.307 nan 8.190 nan 0.000 0.430 17 F N 1.523 121.460 119.950 -0.022 0.000 2.410 17 F HA 0.674 5.203 4.527 0.003 0.000 0.349 17 F C 0.054 175.886 175.800 0.053 0.000 1.117 17 F CA -0.959 57.006 58.000 -0.058 0.000 1.104 17 F CB 2.069 41.031 39.000 -0.063 0.000 1.122 17 F HN 0.380 nan 8.300 nan 0.000 0.483 18 V N 5.044 125.081 119.914 0.206 0.000 2.347 18 V HA 0.182 4.304 4.120 0.003 0.000 0.280 18 V C -0.765 175.377 176.094 0.080 0.000 1.021 18 V CA -0.919 61.513 62.300 0.221 0.000 0.847 18 V CB 0.701 32.667 31.823 0.238 0.000 0.990 18 V HN 0.432 nan 8.190 nan 0.000 0.444 19 Y N 3.722 124.073 120.300 0.085 0.000 2.350 19 Y HA 0.574 5.126 4.550 0.003 0.000 0.340 19 Y C 0.250 176.183 175.900 0.056 0.000 1.006 19 Y CA -0.502 57.625 58.100 0.045 0.000 1.166 19 Y CB 1.460 39.939 38.460 0.032 0.000 1.168 19 Y HN 0.383 nan 8.280 nan 0.000 0.502 20 V N 4.198 124.195 119.914 0.138 0.000 2.769 20 V HA 0.586 4.708 4.120 0.003 0.000 0.312 20 V C -0.592 175.555 176.094 0.088 0.000 1.061 20 V CA -1.365 61.002 62.300 0.112 0.000 0.931 20 V CB 2.204 34.073 31.823 0.077 0.000 1.010 20 V HN 0.653 nan 8.190 nan 0.000 0.433 21 K N 1.895 122.344 120.400 0.081 0.000 2.550 21 K HA 0.332 4.654 4.320 0.003 0.000 0.252 21 K C -1.022 175.608 176.600 0.050 0.000 0.943 21 K CA -0.517 55.805 56.287 0.060 0.000 0.806 21 K CB 1.520 34.054 32.500 0.057 0.000 1.289 21 K HN 0.712 nan 8.250 nan 0.000 0.435 22 D N 3.058 123.483 120.400 0.041 0.000 2.701 22 D HA -0.197 4.445 4.640 0.003 0.000 0.235 22 D C 0.592 176.917 176.300 0.042 0.000 1.155 22 D CA 2.005 56.026 54.000 0.035 0.000 0.649 22 D CB -1.109 39.705 40.800 0.024 0.000 1.050 22 D HN 1.105 nan 8.370 nan 0.000 0.425 23 G N -0.193 108.640 108.800 0.054 0.000 2.153 23 G HA2 -0.366 3.596 3.960 0.003 0.000 0.252 23 G HA3 -0.366 3.596 3.960 0.003 0.000 0.252 23 G C 0.240 175.193 174.900 0.090 0.000 0.994 23 G CA 0.931 46.071 45.100 0.066 0.000 0.698 23 G HN 0.672 nan 8.290 nan 0.000 0.521 24 K N -0.147 120.308 120.400 0.091 0.000 2.375 24 K HA 0.702 5.024 4.320 0.003 0.000 0.249 24 K C 0.030 176.730 176.600 0.167 0.000 0.942 24 K CA -1.286 55.076 56.287 0.126 0.000 0.806 24 K CB 1.193 33.715 32.500 0.036 0.000 1.227 24 K HN 0.093 nan 8.250 nan 0.000 0.430 25 I N 5.662 126.396 120.570 0.272 0.000 2.416 25 I HA 0.077 4.249 4.170 0.003 0.000 0.288 25 I C 1.102 177.344 176.117 0.208 0.000 1.051 25 I CA -0.168 61.276 61.300 0.239 0.000 1.375 25 I CB 0.898 39.037 38.000 0.232 0.000 1.407 25 I HN 0.662 nan 8.210 nan 0.000 0.516 26 I N 5.460 126.133 120.570 0.171 0.000 2.556 26 I HA 0.065 4.237 4.170 0.003 0.000 0.251 26 I C 0.869 177.050 176.117 0.107 0.000 1.105 26 I CA 0.493 61.866 61.300 0.122 0.000 1.436 26 I CB 0.037 38.097 38.000 0.100 0.000 1.139 26 I HN 0.658 nan 8.210 nan 0.000 0.438 27 R N 0.245 120.828 120.500 0.137 0.000 2.728 27 R HA 0.660 5.002 4.340 0.003 0.000 0.274 27 R C -1.605 174.809 176.300 0.190 0.000 1.030 27 R CA -0.832 55.329 56.100 0.102 0.000 0.876 27 R CB 1.473 31.755 30.300 -0.030 0.000 1.259 27 R HN -0.136 nan 8.270 nan 0.000 0.468 28 M N 1.581 121.272 119.600 0.152 0.000 2.263 28 M HA 0.409 4.891 4.480 0.003 0.000 0.295 28 M C -1.114 175.271 176.300 0.141 0.000 1.028 28 M CA -0.633 54.781 55.300 0.189 0.000 0.921 28 M CB 2.776 35.462 32.600 0.143 0.000 1.601 28 M HN 0.967 nan 8.290 nan 0.000 0.440 29 T N 0.601 115.263 114.554 0.180 0.000 2.883 29 T HA 0.765 5.117 4.350 0.003 0.000 0.296 29 T C -3.042 171.676 174.700 0.030 0.000 1.117 29 T CA -2.083 60.081 62.100 0.106 0.000 1.006 29 T CB 2.057 71.012 68.868 0.145 0.000 1.191 29 T HN 0.207 nan 8.240 nan 0.000 0.508 30 P HA 0.298 nan 4.420 nan 0.000 0.271 30 P C -0.556 176.608 177.300 -0.227 0.000 1.233 30 P CA -0.430 62.580 63.100 -0.149 0.000 0.789 30 P CB 0.307 31.937 31.700 -0.116 0.000 0.951 31 M N 1.301 120.638 119.600 -0.439 0.000 2.209 31 M HA 0.234 4.716 4.480 0.003 0.000 0.355 31 M C -0.116 175.956 176.300 -0.379 0.000 1.171 31 M CA -0.125 54.761 55.300 -0.689 0.000 1.069 31 M CB 0.737 32.694 32.600 -1.071 0.000 1.622 31 M HN 0.169 nan 8.290 nan 0.000 0.459 32 D N 3.033 123.384 120.400 -0.081 0.000 2.177 32 D HA 0.394 5.036 4.640 0.003 0.000 0.247 32 D C -0.888 175.545 176.300 0.223 0.000 1.063 32 D CA 0.008 54.002 54.000 -0.011 0.000 0.867 32 D CB 1.189 42.050 40.800 0.103 0.000 1.168 32 D HN 0.409 nan 8.370 nan 0.000 0.445 33 F N 0.720 120.674 119.950 0.006 0.000 2.384 33 F HA 0.093 4.622 4.527 0.003 0.000 0.338 33 F C 1.249 177.107 175.800 0.096 0.000 1.103 33 F CA -0.809 57.233 58.000 0.070 0.000 1.157 33 F CB 1.279 40.263 39.000 -0.027 0.000 1.167 33 F HN 0.074 nan 8.300 nan 0.000 0.529 34 D N 3.228 123.828 120.400 0.332 0.000 2.412 34 D HA 0.041 4.683 4.640 0.003 0.000 0.224 34 D C 0.519 176.897 176.300 0.131 0.000 1.093 34 D CA -0.231 53.884 54.000 0.192 0.000 0.850 34 D CB 0.702 41.603 40.800 0.168 0.000 1.046 34 D HN 0.477 nan 8.370 nan 0.000 0.507 35 D N 2.901 123.368 120.400 0.111 0.000 2.271 35 D HA -0.168 4.474 4.640 0.003 0.000 0.207 35 D C 1.586 177.917 176.300 0.052 0.000 0.983 35 D CA 0.759 54.806 54.000 0.077 0.000 0.878 35 D CB 0.262 41.102 40.800 0.066 0.000 0.920 35 D HN 0.573 nan 8.370 nan 0.000 0.479 36 A N 0.318 123.169 122.820 0.051 0.000 2.066 36 A HA -0.037 4.285 4.320 0.003 0.000 0.218 36 A C 2.081 179.684 177.584 0.031 0.000 1.157 36 A CA 1.396 53.456 52.037 0.038 0.000 0.670 36 A CB 0.104 19.126 19.000 0.036 0.000 0.804 36 A HN 0.244 nan 8.150 nan 0.000 0.453 37 V N -4.681 115.249 119.914 0.026 0.000 3.382 37 V HA 0.308 4.429 4.120 0.003 0.000 0.296 37 V C -0.980 175.093 176.094 -0.036 0.000 1.529 37 V CA -0.422 61.882 62.300 0.006 0.000 1.048 37 V CB 0.190 32.012 31.823 -0.002 0.000 0.878 37 V HN 0.141 nan 8.190 nan 0.000 0.442 38 D N 2.821 123.191 120.400 -0.049 0.000 2.344 38 D HA 0.690 5.332 4.640 0.003 0.000 0.239 38 D C 0.551 176.773 176.300 -0.131 0.000 1.064 38 D CA 0.359 54.263 54.000 -0.159 0.000 0.829 38 D CB 2.022 42.710 40.800 -0.187 0.000 1.129 38 D HN 0.502 nan 8.370 nan 0.000 0.506 39 A N 3.989 126.697 122.820 -0.188 0.000 2.603 39 A HA 0.190 4.512 4.320 0.003 0.000 0.235 39 A C -1.990 175.564 177.584 -0.051 0.000 1.035 39 A CA -0.393 51.576 52.037 -0.113 0.000 0.755 39 A CB -0.474 18.414 19.000 -0.186 0.000 0.954 39 A HN 0.319 nan 8.150 nan 0.000 0.511 40 P HA 0.159 nan 4.420 nan 0.000 0.269 40 P C -0.032 177.320 177.300 0.086 0.000 1.217 40 P CA -0.047 63.084 63.100 0.052 0.000 0.783 40 P CB 0.492 32.220 31.700 0.046 0.000 0.898 41 S N 0.648 116.406 115.700 0.097 0.000 2.645 41 S HA 0.314 4.786 4.470 0.003 0.000 0.266 41 S C -0.055 174.521 174.600 -0.040 0.000 1.258 41 S CA -0.693 57.527 58.200 0.033 0.000 0.990 41 S CB 0.182 63.376 63.200 -0.010 0.000 0.967 41 S HN 0.492 nan 8.310 nan 0.000 0.556 42 W N 0.588 121.907 121.300 0.032 0.000 2.129 42 W HA 0.602 5.264 4.660 0.003 0.000 0.349 42 W C -0.724 175.823 176.519 0.046 0.000 1.279 42 W CA -0.650 56.709 57.345 0.022 0.000 1.306 42 W CB -0.016 29.439 29.460 -0.008 0.000 1.140 42 W HN 0.398 nan 8.180 nan 0.000 0.613 43 K N 1.152 121.820 120.400 0.447 0.000 2.477 43 K HA 0.668 4.990 4.320 0.003 0.000 0.255 43 K C -1.116 175.728 176.600 0.407 0.000 0.952 43 K CA -0.966 55.511 56.287 0.316 0.000 0.826 43 K CB 2.802 35.375 32.500 0.122 0.000 1.331 43 K HN 0.382 nan 8.250 nan 0.000 0.437 44 I N 1.905 122.683 120.570 0.348 0.000 2.534 44 I HA 0.205 4.377 4.170 0.003 0.000 0.288 44 I C -1.036 175.204 176.117 0.205 0.000 1.077 44 I CA -0.774 60.679 61.300 0.255 0.000 1.051 44 I CB 2.282 40.436 38.000 0.258 0.000 1.234 44 I HN 0.482 nan 8.210 nan 0.000 0.425 45 E N 5.004 125.279 120.200 0.125 0.000 2.109 45 E HA 0.737 5.089 4.350 0.003 0.000 0.278 45 E C -0.820 175.843 176.600 0.105 0.000 0.954 45 E CA -0.253 56.202 56.400 0.091 0.000 0.779 45 E CB 1.748 31.474 29.700 0.043 0.000 1.093 45 E HN 0.630 nan 8.360 nan 0.000 0.401 46 A N 3.320 126.246 122.820 0.176 0.000 2.517 46 A HA 0.546 4.868 4.320 0.003 0.000 0.297 46 A C -0.580 177.107 177.584 0.172 0.000 1.050 46 A CA -0.853 51.266 52.037 0.137 0.000 0.694 46 A CB 0.959 20.005 19.000 0.075 0.000 1.277 46 A HN 0.691 nan 8.150 nan 0.000 0.400 47 R N 0.983 121.529 120.500 0.078 0.000 3.225 47 R HA -0.246 4.096 4.340 0.003 0.000 0.245 47 R C 1.233 177.574 176.300 0.069 0.000 0.928 47 R CA 1.389 57.534 56.100 0.075 0.000 0.632 47 R CB -1.748 28.606 30.300 0.090 0.000 1.038 47 R HN 2.527 nan 8.270 nan 0.000 0.461 48 G N -0.907 107.915 108.800 0.036 0.000 2.184 48 G HA2 -0.378 3.584 3.960 0.003 0.000 0.264 48 G HA3 -0.378 3.584 3.960 0.003 0.000 0.264 48 G C 0.136 175.004 174.900 -0.054 0.000 0.975 48 G CA 1.104 46.203 45.100 -0.000 0.000 0.642 48 G HN 0.458 nan 8.290 nan 0.000 0.536 49 K N -0.541 119.806 120.400 -0.088 0.000 2.346 49 K HA 0.713 5.035 4.320 0.003 0.000 0.238 49 K C -0.845 175.498 176.600 -0.428 0.000 1.039 49 K CA -0.604 55.488 56.287 -0.325 0.000 0.861 49 K CB 1.683 33.846 32.500 -0.562 0.000 1.278 49 K HN 0.029 nan 8.250 nan 0.000 0.460 50 T N 1.678 115.859 114.554 -0.621 0.000 2.815 50 T HA 0.451 4.803 4.350 0.003 0.000 0.289 50 T C -1.112 173.167 174.700 -0.702 0.000 1.000 50 T CA -0.611 61.220 62.100 -0.448 0.000 0.958 50 T CB 0.019 68.750 68.868 -0.228 0.000 0.944 50 T HN 0.218 nan 8.240 nan 0.000 0.442 51 F N 1.800 121.552 119.950 -0.330 0.000 2.420 51 F HA 0.668 5.197 4.527 0.003 0.000 0.342 51 F C 0.923 176.527 175.800 -0.326 0.000 1.113 51 F CA -0.714 56.899 58.000 -0.645 0.000 1.059 51 F CB 1.864 40.167 39.000 -1.162 0.000 1.128 51 F HN 0.352 nan 8.300 nan 0.000 0.475 52 T N 4.378 118.841 114.554 -0.152 0.000 2.916 52 T HA 0.512 4.864 4.350 0.003 0.000 0.305 52 T C -2.913 171.760 174.700 -0.044 0.000 1.119 52 T CA -1.806 60.136 62.100 -0.264 0.000 1.008 52 T CB 1.731 70.488 68.868 -0.185 0.000 1.129 52 T HN 0.360 nan 8.240 nan 0.000 0.480 53 P HA 0.469 nan 4.420 nan 0.000 0.276 53 P C -2.806 174.524 177.300 0.050 0.000 1.244 53 P CA -1.551 61.535 63.100 -0.024 0.000 0.801 53 P CB -0.282 31.327 31.700 -0.152 0.000 1.006 54 P HA 0.175 nan 4.420 nan 0.000 0.271 54 P C 0.342 177.607 177.300 -0.057 0.000 1.218 54 P CA -0.065 63.041 63.100 0.009 0.000 0.780 54 P CB 0.310 31.997 31.700 -0.021 0.000 0.901 55 R N 2.602 123.032 120.500 -0.117 0.000 4.902 55 R HA 0.142 4.484 4.340 0.003 0.000 0.201 55 R C 0.477 176.373 176.300 -0.674 0.000 2.020 55 R CA 0.364 56.317 56.100 -0.245 0.000 1.674 55 R CB -0.598 29.676 30.300 -0.043 0.000 1.349 55 R HN 0.488 nan 8.270 nan 0.000 0.813 56 K N -0.111 119.787 120.400 -0.837 0.000 2.615 56 K HA 0.196 4.518 4.320 0.003 0.000 0.291 56 K C -0.814 175.412 176.600 -0.624 0.000 1.017 56 K CA -0.502 55.266 56.287 -0.865 0.000 0.882 56 K CB 1.703 33.963 32.500 -0.400 0.000 1.522 56 K HN 0.094 nan 8.250 nan 0.000 0.412 57 T N -1.482 112.797 114.554 -0.458 0.000 2.922 57 T HA 0.693 5.045 4.350 0.003 0.000 0.281 57 T C -0.144 174.494 174.700 -0.103 0.000 1.005 57 T CA -0.564 61.432 62.100 -0.174 0.000 0.982 57 T CB 1.294 70.016 68.868 -0.243 0.000 1.158 57 T HN 0.638 nan 8.240 nan 0.000 0.566 58 S N -0.402 115.302 115.700 0.008 0.000 2.627 58 S HA 0.815 5.287 4.470 0.003 0.000 0.283 58 S C -0.640 173.977 174.600 0.028 0.000 1.127 58 S CA -1.088 57.143 58.200 0.053 0.000 0.863 58 S CB 1.062 64.367 63.200 0.175 0.000 1.121 58 S HN 1.188 nan 8.310 nan 0.000 0.479 59 I N -1.827 118.775 120.570 0.053 0.000 3.145 59 I HA 0.949 5.121 4.170 0.003 0.000 0.313 59 I C -0.288 175.800 176.117 -0.048 0.000 1.122 59 I CA -1.719 59.556 61.300 -0.040 0.000 0.987 59 I CB 1.589 39.544 38.000 -0.075 0.000 1.236 59 I HN 0.856 nan 8.210 nan 0.000 0.453 60 A N 2.703 125.339 122.820 -0.307 0.000 2.282 60 A HA 0.708 5.030 4.320 0.003 0.000 0.319 60 A C -1.992 175.320 177.584 -0.453 0.000 1.121 60 A CA -1.760 49.934 52.037 -0.572 0.000 0.836 60 A CB 0.362 18.659 19.000 -1.172 0.000 1.146 60 A HN 0.679 nan 8.150 nan 0.000 0.494 61 P HA -0.250 nan 4.420 nan 0.000 0.216 61 P C 0.889 178.152 177.300 -0.062 0.000 1.157 61 P CA 2.351 65.421 63.100 -0.050 0.000 0.880 61 P CB -0.252 31.548 31.700 0.166 0.000 0.791 62 Y N -2.582 117.763 120.300 0.075 0.000 2.421 62 Y HA -0.034 4.518 4.550 0.003 0.000 0.292 62 Y C 2.027 178.032 175.900 0.176 0.000 1.136 62 Y CA 1.140 59.288 58.100 0.082 0.000 1.255 62 Y CB -2.233 36.257 38.460 0.051 0.000 0.991 62 Y HN -0.151 nan 8.280 nan 0.000 0.552 63 T N 0.445 115.027 114.554 0.046 0.000 2.894 63 T HA 0.059 4.411 4.350 0.003 0.000 0.258 63 T C 2.263 177.036 174.700 0.121 0.000 1.043 63 T CA 1.096 63.273 62.100 0.129 0.000 1.141 63 T CB -0.496 68.350 68.868 -0.036 0.000 0.873 63 T HN 0.524 nan 8.240 nan 0.000 0.449 64 A N 1.012 123.857 122.820 0.042 0.000 2.024 64 A HA 0.106 4.428 4.320 0.003 0.000 0.220 64 A C 2.144 179.801 177.584 0.121 0.000 1.164 64 A CA 1.691 53.765 52.037 0.062 0.000 0.643 64 A CB -0.745 18.274 19.000 0.031 0.000 0.806 64 A HN 0.510 nan 8.150 nan 0.000 0.451 65 G N -2.974 105.919 108.800 0.156 0.000 3.575 65 G HA2 0.276 4.238 3.960 0.003 0.000 0.273 65 G HA3 0.276 4.238 3.960 0.003 0.000 0.273 65 G C 0.770 175.737 174.900 0.112 0.000 1.053 65 G CA 0.132 45.361 45.100 0.216 0.000 0.803 65 G HN 0.322 nan 8.290 nan 0.000 0.528 66 F N 1.487 121.424 119.950 -0.022 0.000 2.202 66 F HA -0.045 4.484 4.527 0.003 0.000 0.301 66 F C 2.502 178.176 175.800 -0.210 0.000 1.082 66 F CA 1.700 59.638 58.000 -0.103 0.000 1.313 66 F CB 0.275 39.208 39.000 -0.112 0.000 1.024 66 F HN 0.190 nan 8.300 nan 0.000 0.495 67 K N 0.142 120.491 120.400 -0.085 0.000 2.160 67 K HA -0.228 4.094 4.320 0.003 0.000 0.206 67 K C 2.114 178.550 176.600 -0.273 0.000 1.047 67 K CA 1.717 57.899 56.287 -0.175 0.000 0.930 67 K CB -0.349 32.178 32.500 0.045 0.000 0.720 67 K HN 0.406 nan 8.250 nan 0.000 0.450 68 S N -0.280 115.155 115.700 -0.442 0.000 2.515 68 S HA -0.075 4.397 4.470 0.003 0.000 0.231 68 S C 1.761 176.098 174.600 -0.439 0.000 0.987 68 S CA 0.748 58.542 58.200 -0.678 0.000 0.936 68 S CB -0.084 62.161 63.200 -1.591 0.000 0.766 68 S HN 0.309 nan 8.310 nan 0.000 0.528 69 M N 0.291 119.599 119.600 -0.486 0.000 2.466 69 M HA 0.300 4.782 4.480 0.003 0.000 0.265 69 M C 1.892 178.120 176.300 -0.121 0.000 1.122 69 M CA 0.610 55.691 55.300 -0.366 0.000 1.157 69 M CB -0.276 31.878 32.600 -0.743 0.000 1.352 69 M HN 0.274 nan 8.290 nan 0.000 0.464 70 I N -0.559 119.778 120.570 -0.389 0.000 2.179 70 I HA -0.276 3.896 4.170 0.003 0.000 0.242 70 I C 1.171 177.105 176.117 -0.306 0.000 1.088 70 I CA 1.542 62.612 61.300 -0.382 0.000 1.357 70 I CB -0.249 37.365 38.000 -0.643 0.000 1.051 70 I HN 0.245 nan 8.210 nan 0.000 0.409 71 Y N 0.504 120.761 120.300 -0.072 0.000 2.532 71 Y HA 0.240 4.792 4.550 0.003 0.000 0.283 71 Y C 1.333 177.209 175.900 -0.039 0.000 1.181 71 Y CA -0.742 57.329 58.100 -0.048 0.000 1.256 71 Y CB -0.634 37.800 38.460 -0.044 0.000 1.112 71 Y HN -0.067 nan 8.280 nan 0.000 0.521 72 S N 1.719 117.475 115.700 0.094 0.000 2.552 72 S HA -0.086 4.386 4.470 0.003 0.000 0.289 72 S C 1.399 176.062 174.600 0.106 0.000 1.304 72 S CA -0.020 58.233 58.200 0.089 0.000 1.063 72 S CB 0.421 63.723 63.200 0.169 0.000 0.848 72 S HN 0.645 nan 8.310 nan 0.000 0.499 73 D N 4.090 124.534 120.400 0.073 0.000 2.363 73 D HA -0.072 4.570 4.640 0.003 0.000 0.220 73 D C 1.329 177.692 176.300 0.106 0.000 0.994 73 D CA 0.417 54.445 54.000 0.046 0.000 0.890 73 D CB -0.054 40.749 40.800 0.005 0.000 0.906 73 D HN 0.564 nan 8.370 nan 0.000 0.530 74 L N -0.011 121.336 121.223 0.207 0.000 2.592 74 L HA 0.155 4.497 4.340 0.003 0.000 0.227 74 L C 1.239 178.357 176.870 0.414 0.000 1.127 74 L CA -0.449 54.613 54.840 0.370 0.000 0.884 74 L CB -0.008 42.224 42.059 0.287 0.000 1.065 74 L HN -0.129 nan 8.230 nan 0.000 0.457 75 R N 0.950 121.619 120.500 0.282 0.000 2.734 75 R HA 0.120 4.462 4.340 0.003 0.000 0.266 75 R C -0.121 176.216 176.300 0.062 0.000 1.044 75 R CA -0.018 56.136 56.100 0.089 0.000 1.128 75 R CB 0.406 30.680 30.300 -0.044 0.000 1.010 75 R HN 0.034 nan 8.270 nan 0.000 0.461 76 I N 7.315 127.847 120.570 -0.064 0.000 2.436 76 I HA 0.086 4.258 4.170 0.003 0.000 0.289 76 I C -1.491 174.512 176.117 -0.191 0.000 1.083 76 I CA -1.776 59.471 61.300 -0.088 0.000 1.372 76 I CB 1.370 39.288 38.000 -0.137 0.000 1.408 76 I HN 0.670 nan 8.210 nan 0.000 0.516 77 P HA -0.052 nan 4.420 nan 0.000 0.217 77 P C -0.965 176.111 177.300 -0.373 0.000 1.154 77 P CA 1.265 64.079 63.100 -0.477 0.000 0.841 77 P CB 0.184 31.361 31.700 -0.872 0.000 0.788 78 Y N -7.127 113.129 120.300 -0.073 0.000 2.713 78 Y HA 0.593 5.145 4.550 0.003 0.000 0.335 78 Y C -3.252 172.475 175.900 -0.288 0.000 1.222 78 Y CA -4.036 53.970 58.100 -0.157 0.000 1.061 78 Y CB -0.837 37.556 38.460 -0.111 0.000 1.314 78 Y HN -0.382 nan 8.280 nan 0.000 0.453 79 P HA 0.141 nan 4.420 nan 0.000 0.264 79 P C -0.755 176.512 177.300 -0.055 0.000 1.179 79 P CA 0.771 63.633 63.100 -0.396 0.000 0.763 79 P CB 0.333 31.639 31.700 -0.657 0.000 0.806 80 M N 2.188 121.749 119.600 -0.065 0.000 2.644 80 M HA 0.505 4.987 4.480 0.003 0.000 0.304 80 M C -0.164 176.211 176.300 0.126 0.000 1.215 80 M CA -0.681 54.658 55.300 0.065 0.000 0.871 80 M CB 2.929 35.515 32.600 -0.023 0.000 1.740 80 M HN 0.124 nan 8.290 nan 0.000 0.464 81 K N 1.141 121.710 120.400 0.282 0.000 2.498 81 K HA 0.469 4.791 4.320 0.003 0.000 0.254 81 K C -1.506 175.303 176.600 0.348 0.000 0.933 81 K CA -0.768 55.711 56.287 0.320 0.000 0.806 81 K CB 2.647 35.273 32.500 0.210 0.000 1.301 81 K HN 0.765 nan 8.250 nan 0.000 0.432 82 R N 3.321 123.953 120.500 0.219 0.000 2.296 82 R HA 0.070 4.412 4.340 0.003 0.000 0.323 82 R C 0.684 177.000 176.300 0.027 0.000 1.067 82 R CA 0.309 56.320 56.100 -0.149 0.000 0.946 82 R CB 0.567 30.794 30.300 -0.122 0.000 0.991 82 R HN 0.637 nan 8.270 nan 0.000 0.448 83 K N 1.260 121.628 120.400 -0.053 0.000 2.020 83 K HA -0.187 4.135 4.320 0.003 0.000 0.212 83 K C 1.721 178.339 176.600 0.031 0.000 1.050 83 K CA 2.202 58.493 56.287 0.006 0.000 0.929 83 K CB -0.076 32.413 32.500 -0.018 0.000 0.714 83 K HN 0.691 nan 8.250 nan 0.000 0.443 84 S N 0.519 116.231 115.700 0.021 0.000 2.595 84 S HA -0.108 4.364 4.470 0.003 0.000 0.235 84 S C 0.466 175.136 174.600 0.117 0.000 0.974 84 S CA 0.093 58.322 58.200 0.048 0.000 0.942 84 S CB -0.406 62.814 63.200 0.035 0.000 0.766 84 S HN 0.223 nan 8.310 nan 0.000 0.536 85 F N 3.160 123.115 119.950 0.008 0.000 2.375 85 F HA 0.493 5.021 4.527 0.003 0.000 0.362 85 F C -0.418 175.410 175.800 0.048 0.000 1.129 85 F CA -1.569 56.461 58.000 0.051 0.000 1.154 85 F CB 0.693 39.750 39.000 0.095 0.000 1.205 85 F HN -0.025 nan 8.300 nan 0.000 0.513 86 D N 8.772 128.813 120.400 -0.598 0.000 2.453 86 D HA 0.322 4.964 4.640 0.003 0.000 0.238 86 D C -2.089 173.786 176.300 -0.709 0.000 1.088 86 D CA -2.346 51.345 54.000 -0.514 0.000 0.854 86 D CB 2.203 42.863 40.800 -0.234 0.000 1.076 86 D HN 0.231 nan 8.370 nan 0.000 0.533 87 P HA -0.068 nan 4.420 nan 0.000 0.216 87 P C 0.255 177.412 177.300 -0.238 0.000 1.150 87 P CA 1.052 63.864 63.100 -0.481 0.000 0.837 87 P CB 0.367 31.905 31.700 -0.271 0.000 0.786 88 N N -1.901 116.688 118.700 -0.185 0.000 2.280 88 N HA 0.174 4.916 4.740 0.003 0.000 0.192 88 N C 0.965 176.421 175.510 -0.090 0.000 1.109 88 N CA 0.399 53.386 53.050 -0.104 0.000 0.855 88 N CB 0.333 38.776 38.487 -0.073 0.000 0.974 88 N HN 0.133 nan 8.380 nan 0.000 0.482 89 G N -0.719 108.006 108.800 -0.124 0.000 3.354 89 G HA2 0.160 4.122 3.960 0.003 0.000 0.174 89 G HA3 0.160 4.122 3.960 0.003 0.000 0.174 89 G C -1.010 173.840 174.900 -0.084 0.000 1.140 89 G CA -0.395 44.654 45.100 -0.085 0.000 0.897 89 G HN -0.103 nan 8.290 nan 0.000 0.685 90 E N 1.243 121.401 120.200 -0.071 0.000 2.257 90 E HA 0.263 4.615 4.350 0.003 0.000 0.278 90 E C 0.905 177.467 176.600 -0.064 0.000 1.049 90 E CA -0.201 56.176 56.400 -0.038 0.000 0.876 90 E CB 1.671 31.363 29.700 -0.012 0.000 1.035 90 E HN 0.393 nan 8.360 nan 0.000 0.419 91 R N 2.037 122.539 120.500 0.002 0.000 2.246 91 R HA 0.037 4.379 4.340 0.003 0.000 0.199 91 R C -0.171 176.286 176.300 0.261 0.000 0.984 91 R CA -0.171 55.995 56.100 0.110 0.000 1.015 91 R CB 0.061 30.526 30.300 0.276 0.000 0.930 91 R HN 0.466 nan 8.270 nan 0.000 0.475 92 N N 0.855 119.646 118.700 0.152 0.000 2.669 92 N HA -0.120 4.622 4.740 0.003 0.000 0.266 92 N C -2.220 173.394 175.510 0.173 0.000 1.024 92 N CA 0.392 53.524 53.050 0.137 0.000 0.766 92 N CB -0.632 37.919 38.487 0.108 0.000 0.898 92 N HN 0.197 nan 8.380 nan 0.000 0.548 93 P HA -0.191 nan 4.420 nan 0.000 0.218 93 P C 1.761 179.152 177.300 0.150 0.000 1.148 93 P CA 1.146 64.352 63.100 0.178 0.000 0.822 93 P CB 0.160 31.951 31.700 0.153 0.000 0.784 94 Q N -0.149 119.719 119.800 0.114 0.000 2.437 94 Q HA -0.096 4.246 4.340 0.003 0.000 0.210 94 Q C 1.450 177.512 176.000 0.104 0.000 0.972 94 Q CA 1.335 57.198 55.803 0.100 0.000 0.903 94 Q CB -1.022 27.758 28.738 0.069 0.000 0.967 94 Q HN 0.338 nan 8.270 nan 0.000 0.486 95 L N 0.527 121.812 121.223 0.104 0.000 2.607 95 L HA 0.243 4.585 4.340 0.003 0.000 0.228 95 L C 0.704 177.617 176.870 0.073 0.000 1.123 95 L CA -0.293 54.594 54.840 0.078 0.000 0.890 95 L CB 0.144 42.238 42.059 0.058 0.000 1.103 95 L HN -0.012 nan 8.230 nan 0.000 0.468 96 R N 0.890 121.466 120.500 0.127 0.000 2.484 96 R HA 0.198 4.540 4.340 0.003 0.000 0.293 96 R C 1.167 177.559 176.300 0.153 0.000 1.023 96 R CA 0.793 56.978 56.100 0.143 0.000 1.037 96 R CB 0.226 30.673 30.300 0.245 0.000 0.951 96 R HN 0.307 nan 8.270 nan 0.000 0.418 97 G N 1.829 110.581 108.800 -0.081 0.000 2.179 97 G HA2 -0.405 3.557 3.960 0.003 0.000 0.260 97 G HA3 -0.405 3.557 3.960 0.003 0.000 0.260 97 G C 1.000 175.802 174.900 -0.162 0.000 0.977 97 G CA 0.402 45.277 45.100 -0.376 0.000 0.641 97 G HN 0.725 nan 8.290 nan 0.000 0.533 98 A N 0.338 123.124 122.820 -0.056 0.000 1.917 98 A HA 0.195 4.517 4.320 0.003 0.000 0.219 98 A C 2.873 180.431 177.584 -0.044 0.000 1.182 98 A CA 2.505 54.529 52.037 -0.022 0.000 0.633 98 A CB -1.108 17.887 19.000 -0.008 0.000 0.819 98 A HN 1.701 nan 8.150 nan 0.000 0.448 99 G N -0.609 108.150 108.800 -0.069 0.000 2.442 99 G HA2 -0.156 3.806 3.960 0.003 0.000 0.219 99 G HA3 -0.156 3.806 3.960 0.003 0.000 0.219 99 G C 1.458 176.329 174.900 -0.048 0.000 1.141 99 G CA 1.207 46.285 45.100 -0.037 0.000 0.763 99 G HN 0.436 nan 8.290 nan 0.000 0.554 100 L N 0.992 122.143 121.223 -0.119 0.000 2.093 100 L HA 0.065 4.407 4.340 0.003 0.000 0.208 100 L C 2.921 179.739 176.870 -0.086 0.000 1.085 100 L CA 1.811 56.562 54.840 -0.149 0.000 0.755 100 L CB -0.367 41.510 42.059 -0.303 0.000 0.904 100 L HN 0.154 nan 8.230 nan 0.000 0.435 101 S N -0.342 115.331 115.700 -0.045 0.000 2.447 101 S HA -0.145 4.327 4.470 0.003 0.000 0.233 101 S C 1.458 176.058 174.600 -0.001 0.000 1.006 101 S CA 1.326 59.528 58.200 0.002 0.000 0.957 101 S CB -0.263 62.959 63.200 0.036 0.000 0.773 101 S HN 0.607 nan 8.310 nan 0.000 0.507 102 K N 0.326 120.722 120.400 -0.007 0.000 2.397 102 K HA 0.318 4.640 4.320 0.003 0.000 0.202 102 K C -0.280 176.322 176.600 0.002 0.000 1.022 102 K CA -0.039 56.250 56.287 0.003 0.000 1.141 102 K CB 0.238 32.743 32.500 0.008 0.000 0.857 102 K HN -0.120 nan 8.250 nan 0.000 0.514 103 Q N 0.826 120.619 119.800 -0.013 0.000 2.489 103 Q HA -0.190 4.152 4.340 0.003 0.000 0.259 103 Q C -1.143 174.872 176.000 0.025 0.000 0.934 103 Q CA 1.630 57.426 55.803 -0.011 0.000 1.131 103 Q CB -1.984 26.750 28.738 -0.006 0.000 1.472 103 Q HN 0.636 nan 8.270 nan 0.000 0.560 104 D N -1.979 118.442 120.400 0.037 0.000 2.517 104 D HA 0.325 4.967 4.640 0.003 0.000 0.263 104 D C -2.098 174.270 176.300 0.113 0.000 1.233 104 D CA -1.919 52.135 54.000 0.090 0.000 0.849 104 D CB 1.029 41.877 40.800 0.081 0.000 1.261 104 D HN -0.171 nan 8.370 nan 0.000 0.516 105 P HA -0.135 nan 4.420 nan 0.000 0.214 105 P C 1.109 178.577 177.300 0.280 0.000 1.169 105 P CA 1.286 64.478 63.100 0.153 0.000 0.908 105 P CB 0.017 31.785 31.700 0.113 0.000 0.791 106 W N 0.338 121.740 121.300 0.170 0.000 2.331 106 W HA -0.158 4.505 4.660 0.003 0.000 0.291 106 W C 2.504 179.048 176.519 0.042 0.000 1.214 106 W CA 1.646 58.958 57.345 -0.054 0.000 1.228 106 W CB -1.533 27.814 29.460 -0.188 0.000 1.135 106 W HN 0.023 nan 8.180 nan 0.000 0.537 107 S N -0.893 114.962 115.700 0.257 0.000 2.595 107 S HA -0.138 4.334 4.470 0.003 0.000 0.235 107 S C 1.077 175.715 174.600 0.064 0.000 0.974 107 S CA 1.408 59.690 58.200 0.137 0.000 0.942 107 S CB -0.263 62.992 63.200 0.091 0.000 0.766 107 S HN 0.151 nan 8.310 nan 0.000 0.536 108 D N -0.205 120.219 120.400 0.040 0.000 2.346 108 D HA 0.235 4.877 4.640 0.003 0.000 0.206 108 D C -0.447 175.596 176.300 -0.428 0.000 1.001 108 D CA 0.460 54.327 54.000 -0.222 0.000 0.871 108 D CB 0.194 40.772 40.800 -0.369 0.000 0.943 108 D HN 0.499 nan 8.370 nan 0.000 0.518 109 Y N 0.515 120.855 120.300 0.067 0.000 2.487 109 Y HA 0.399 4.951 4.550 0.003 0.000 0.337 109 Y C 0.438 176.385 175.900 0.078 0.000 1.076 109 Y CA -1.183 56.959 58.100 0.069 0.000 1.115 109 Y CB 1.258 39.751 38.460 0.055 0.000 1.235 109 Y HN -0.221 nan 8.280 nan 0.000 0.468 110 E N 0.998 121.332 120.200 0.224 0.000 2.336 110 E HA 0.529 4.881 4.350 0.003 0.000 0.267 110 E C -1.155 175.532 176.600 0.145 0.000 0.906 110 E CA -1.391 55.094 56.400 0.142 0.000 0.781 110 E CB 2.181 31.927 29.700 0.077 0.000 1.261 110 E HN 0.579 nan 8.360 nan 0.000 0.436 111 R N 1.950 122.488 120.500 0.064 0.000 2.539 111 R HA 0.421 4.763 4.340 0.003 0.000 0.275 111 R C -0.217 176.039 176.300 -0.072 0.000 1.077 111 R CA -0.166 55.906 56.100 -0.047 0.000 1.097 111 R CB 0.397 30.462 30.300 -0.392 0.000 1.018 111 R HN 0.698 nan 8.270 nan 0.000 0.483 112 I N -0.839 119.681 120.570 -0.083 0.000 3.102 112 I HA 0.409 4.581 4.170 0.003 0.000 0.310 112 I C -0.652 175.397 176.117 -0.113 0.000 1.246 112 I CA -1.188 60.068 61.300 -0.073 0.000 0.979 112 I CB 2.243 40.230 38.000 -0.021 0.000 1.267 112 I HN 0.657 nan 8.210 nan 0.000 0.451 113 S N 1.057 116.716 115.700 -0.068 0.000 2.610 113 S HA 0.309 4.781 4.470 0.003 0.000 0.273 113 S C 0.268 174.859 174.600 -0.015 0.000 1.274 113 S CA -0.464 57.717 58.200 -0.030 0.000 1.023 113 S CB 1.029 64.244 63.200 0.026 0.000 0.962 113 S HN 0.862 nan 8.310 nan 0.000 0.523 114 W N 1.091 122.381 121.300 -0.016 0.000 2.335 114 W HA -0.115 4.547 4.660 0.004 0.000 0.311 114 W C 2.228 178.708 176.519 -0.064 0.000 1.213 114 W CA 1.753 59.070 57.345 -0.046 0.000 1.274 114 W CB -0.446 28.979 29.460 -0.058 0.000 1.148 114 W HN 0.920 nan 8.180 nan 0.000 0.498 115 D N 0.018 120.537 120.400 0.198 0.000 2.123 115 D HA -0.274 4.368 4.640 0.003 0.000 0.196 115 D C 1.929 178.271 176.300 0.070 0.000 0.992 115 D CA 1.972 56.032 54.000 0.100 0.000 0.833 115 D CB -0.253 40.592 40.800 0.075 0.000 0.954 115 D HN 0.296 nan 8.370 nan 0.000 0.455 116 E N -0.709 119.525 120.200 0.057 0.000 2.107 116 E HA -0.102 4.250 4.350 0.003 0.000 0.191 116 E C 1.982 178.613 176.600 0.052 0.000 0.982 116 E CA 0.797 57.224 56.400 0.045 0.000 0.809 116 E CB -0.158 29.559 29.700 0.029 0.000 0.756 116 E HN 0.296 nan 8.360 nan 0.000 0.459 117 A N 0.886 123.725 122.820 0.032 0.000 1.865 117 A HA -0.228 4.094 4.320 0.003 0.000 0.217 117 A C 2.522 180.162 177.584 0.093 0.000 1.191 117 A CA 2.656 54.713 52.037 0.034 0.000 0.623 117 A CB -1.484 17.467 19.000 -0.082 0.000 0.826 117 A HN 0.533 nan 8.150 nan 0.000 0.444 118 T N -2.201 112.391 114.554 0.062 0.000 2.788 118 T HA -0.168 4.184 4.350 0.003 0.000 0.268 118 T C 1.357 176.152 174.700 0.157 0.000 1.044 118 T CA 1.719 63.844 62.100 0.042 0.000 1.139 118 T CB -0.568 68.155 68.868 -0.241 0.000 0.867 118 T HN 0.350 nan 8.240 nan 0.000 0.454 119 D N 1.320 121.782 120.400 0.104 0.000 2.117 119 D HA 0.037 4.679 4.640 0.003 0.000 0.197 119 D C 2.029 178.392 176.300 0.105 0.000 0.987 119 D CA 0.769 54.831 54.000 0.103 0.000 0.829 119 D CB -0.377 40.464 40.800 0.069 0.000 0.961 119 D HN 0.457 nan 8.370 nan 0.000 0.460 120 I N 0.132 120.760 120.570 0.097 0.000 2.179 120 I HA -0.238 3.934 4.170 0.003 0.000 0.242 120 I C 2.317 178.454 176.117 0.034 0.000 1.088 120 I CA 0.653 61.986 61.300 0.055 0.000 1.357 120 I CB -0.246 37.810 38.000 0.093 0.000 1.051 120 I HN -0.080 nan 8.210 nan 0.000 0.409 121 V N 0.362 120.386 119.914 0.184 0.000 2.261 121 V HA -0.246 3.876 4.120 0.003 0.000 0.246 121 V C 2.466 178.692 176.094 0.220 0.000 1.047 121 V CA 1.607 64.063 62.300 0.259 0.000 1.015 121 V CB -0.592 31.417 31.823 0.310 0.000 0.642 121 V HN 0.234 nan 8.190 nan 0.000 0.446 122 V N 0.397 120.488 119.914 0.295 0.000 2.332 122 V HA -0.316 3.806 4.120 0.003 0.000 0.248 122 V C 2.758 178.939 176.094 0.145 0.000 1.055 122 V CA 2.200 64.654 62.300 0.256 0.000 1.038 122 V CB -1.187 30.802 31.823 0.276 0.000 0.651 122 V HN 0.578 nan 8.190 nan 0.000 0.450 123 A N -0.712 122.165 122.820 0.094 0.000 1.908 123 A HA -0.231 4.091 4.320 0.003 0.000 0.218 123 A C 2.213 179.812 177.584 0.025 0.000 1.181 123 A CA 1.829 53.893 52.037 0.044 0.000 0.627 123 A CB -0.413 18.593 19.000 0.011 0.000 0.818 123 A HN 0.542 nan 8.150 nan 0.000 0.445 124 E N -0.055 120.138 120.200 -0.013 0.000 2.047 124 E HA -0.124 4.228 4.350 0.003 0.000 0.191 124 E C 2.047 178.723 176.600 0.127 0.000 0.987 124 E CA 0.984 57.386 56.400 0.002 0.000 0.799 124 E CB -0.450 29.158 29.700 -0.153 0.000 0.752 124 E HN 0.723 nan 8.360 nan 0.000 0.449 125 I N 2.050 122.719 120.570 0.164 0.000 2.069 125 I HA -0.337 3.835 4.170 0.003 0.000 0.237 125 I C 1.899 178.079 176.117 0.104 0.000 1.053 125 I CA 1.315 62.723 61.300 0.180 0.000 1.311 125 I CB -0.480 37.639 38.000 0.199 0.000 1.030 125 I HN 0.062 nan 8.210 nan 0.000 0.398 126 N N 0.538 119.270 118.700 0.053 0.000 2.364 126 N HA -0.190 4.552 4.740 0.003 0.000 0.183 126 N C 1.808 177.295 175.510 -0.039 0.000 1.022 126 N CA 0.939 53.959 53.050 -0.050 0.000 0.883 126 N CB -0.505 37.950 38.487 -0.053 0.000 0.965 126 N HN 0.424 nan 8.380 nan 0.000 0.438 127 R N 1.005 121.529 120.500 0.040 0.000 2.062 127 R HA 0.084 4.426 4.340 0.003 0.000 0.229 127 R C 2.105 178.448 176.300 0.073 0.000 1.128 127 R CA 0.742 56.878 56.100 0.061 0.000 0.960 127 R CB -0.151 30.189 30.300 0.066 0.000 0.855 127 R HN 0.099 nan 8.270 nan 0.000 0.432 128 I N 0.947 121.597 120.570 0.134 0.000 2.252 128 I HA -0.239 3.933 4.170 0.003 0.000 0.245 128 I C 2.274 178.497 176.117 0.177 0.000 1.102 128 I CA 1.319 62.755 61.300 0.227 0.000 1.385 128 I CB -0.175 38.016 38.000 0.318 0.000 1.064 128 I HN 0.192 nan 8.210 nan 0.000 0.414 129 K N 0.026 120.497 120.400 0.118 0.000 2.009 129 K HA -0.210 4.112 4.320 0.003 0.000 0.210 129 K C 2.008 178.672 176.600 0.107 0.000 1.049 129 K CA 1.682 58.023 56.287 0.090 0.000 0.929 129 K CB -0.359 32.142 32.500 0.002 0.000 0.714 129 K HN 0.464 nan 8.250 nan 0.000 0.440 130 H N -0.967 118.119 119.070 0.027 0.000 2.545 130 H HA 0.000 4.558 4.556 0.003 0.000 0.282 130 H C 1.721 177.000 175.328 -0.083 0.000 1.020 130 H CA 0.301 56.341 56.048 -0.012 0.000 1.243 130 H CB 0.307 30.064 29.762 -0.009 0.000 1.377 130 H HN 0.282 nan 8.280 nan 0.000 0.581 131 A N -0.162 122.626 122.820 -0.053 0.000 1.920 131 A HA 0.011 4.333 4.320 0.003 0.000 0.209 131 A C 1.057 178.334 177.584 -0.513 0.000 1.229 131 A CA 0.537 52.333 52.037 -0.402 0.000 0.671 131 A CB 0.081 18.651 19.000 -0.717 0.000 0.886 131 A HN 0.299 nan 8.150 nan 0.000 0.461 132 Y N -1.330 119.042 120.300 0.120 0.000 2.452 132 Y HA 0.467 5.019 4.550 0.004 0.000 0.262 132 Y C 1.183 177.156 175.900 0.122 0.000 1.089 132 Y CA -0.169 57.999 58.100 0.113 0.000 1.262 132 Y CB 0.355 38.888 38.460 0.122 0.000 1.236 132 Y HN 0.550 nan 8.280 nan 0.000 0.512 133 G N 0.310 109.261 108.800 0.252 0.000 2.515 133 G HA2 -0.108 3.854 3.960 0.003 0.000 0.686 133 G HA3 -0.108 3.854 3.960 0.003 0.000 0.686 133 G C -2.428 172.606 174.900 0.223 0.000 1.274 133 G CA -0.736 44.489 45.100 0.209 0.000 0.874 133 G HN -0.124 nan 8.290 nan 0.000 0.631 134 P HA -0.124 nan 4.420 nan 0.000 0.217 134 P C 2.225 179.649 177.300 0.207 0.000 1.148 134 P CA 2.526 65.735 63.100 0.183 0.000 0.828 134 P CB -0.013 31.774 31.700 0.146 0.000 0.783 135 S N -0.602 115.234 115.700 0.226 0.000 2.442 135 S HA -0.092 4.380 4.470 0.003 0.000 0.236 135 S C 1.973 176.700 174.600 0.211 0.000 1.007 135 S CA 1.016 59.335 58.200 0.197 0.000 0.965 135 S CB -1.312 62.055 63.200 0.279 0.000 0.773 135 S HN 0.138 nan 8.310 nan 0.000 0.504 136 A N 0.932 123.895 122.820 0.238 0.000 2.209 136 A HA 0.365 4.687 4.320 0.003 0.000 0.212 136 A C 0.939 178.661 177.584 0.229 0.000 1.158 136 A CA 0.215 52.383 52.037 0.217 0.000 0.742 136 A CB -0.565 18.586 19.000 0.252 0.000 0.790 136 A HN 0.630 nan 8.150 nan 0.000 0.472 137 I N 1.285 122.010 120.570 0.259 0.000 2.310 137 I HA 0.200 4.372 4.170 0.003 0.000 0.287 137 I C -0.420 175.893 176.117 0.327 0.000 1.073 137 I CA -0.630 60.855 61.300 0.309 0.000 1.216 137 I CB 0.965 39.165 38.000 0.333 0.000 1.415 137 I HN 0.138 nan 8.210 nan 0.000 0.480 138 L N 6.236 127.627 121.223 0.280 0.000 2.397 138 L HA 0.481 4.823 4.340 0.003 0.000 0.271 138 L C 0.085 177.255 176.870 0.501 0.000 1.148 138 L CA 0.796 55.769 54.840 0.222 0.000 0.825 138 L CB 1.314 43.274 42.059 -0.166 0.000 1.117 138 L HN 0.593 nan 8.230 nan 0.000 0.456 139 S N 2.598 118.630 115.700 0.554 0.000 2.537 139 S HA 0.744 5.216 4.470 0.003 0.000 0.271 139 S C -1.086 173.932 174.600 0.696 0.000 1.148 139 S CA -0.121 58.490 58.200 0.686 0.000 0.868 139 S CB 1.327 64.800 63.200 0.455 0.000 1.115 139 S HN 1.016 nan 8.310 nan 0.000 0.461 140 T N 4.371 119.303 114.554 0.631 0.000 3.486 140 T HA 0.562 4.914 4.350 0.003 0.000 0.375 140 T C -3.085 171.772 174.700 0.262 0.000 1.459 140 T CA -0.762 61.607 62.100 0.448 0.000 1.151 140 T CB 1.697 70.760 68.868 0.325 0.000 1.336 140 T HN 0.456 nan 8.240 nan 0.000 0.477 141 P HA 0.662 nan 4.420 nan 0.000 0.346 141 P C -0.415 176.961 177.300 0.127 0.000 1.325 141 P CA -0.315 62.756 63.100 -0.049 0.000 0.803 141 P CB 0.972 32.281 31.700 -0.651 0.000 1.856 142 S N -1.848 113.903 115.700 0.085 0.000 2.841 142 S HA 0.327 4.799 4.470 0.003 0.000 0.318 142 S C 1.503 176.068 174.600 -0.059 0.000 1.127 142 S CA -0.344 57.846 58.200 -0.017 0.000 0.883 142 S CB 0.789 63.979 63.200 -0.017 0.000 1.271 142 S HN 0.280 nan 8.310 nan 0.000 0.567 143 S N 0.778 116.355 115.700 -0.205 0.000 2.368 143 S HA 0.016 4.488 4.470 0.003 0.000 0.224 143 S C 0.411 174.893 174.600 -0.197 0.000 1.029 143 S CA 1.091 59.197 58.200 -0.157 0.000 0.988 143 S CB -0.288 62.785 63.200 -0.212 0.000 0.838 143 S HN 0.555 nan 8.310 nan 0.000 0.462 144 H N -0.168 118.986 119.070 0.140 0.000 2.595 144 H HA 0.535 5.092 4.556 0.003 0.000 0.346 144 H C -0.326 175.095 175.328 0.154 0.000 1.181 144 H CA -0.302 55.894 56.048 0.245 0.000 1.242 144 H CB 1.272 31.193 29.762 0.264 0.000 1.652 144 H HN 0.227 nan 8.280 nan 0.000 0.548 145 H N 1.051 120.145 119.070 0.039 0.000 3.008 145 H HA 0.143 4.701 4.556 0.003 0.000 0.354 145 H C -0.462 174.832 175.328 -0.058 0.000 1.252 145 H CA -0.700 55.219 56.048 -0.215 0.000 1.117 145 H CB 1.776 31.007 29.762 -0.885 0.000 1.857 145 H HN 0.392 nan 8.280 nan 0.000 0.547 146 M N 1.417 120.951 119.600 -0.110 0.000 2.252 146 M HA -0.116 4.366 4.480 0.003 0.000 0.329 146 M C 0.717 177.241 176.300 0.374 0.000 1.101 146 M CA 0.462 55.869 55.300 0.179 0.000 1.117 146 M CB -0.201 32.456 32.600 0.095 0.000 1.563 146 M HN 0.436 nan 8.290 nan 0.000 0.445 147 W N 2.030 123.420 121.300 0.150 0.000 2.193 147 W HA 0.353 5.015 4.660 0.003 0.000 0.338 147 W C 0.178 176.806 176.519 0.183 0.000 1.310 147 W CA 0.552 58.004 57.345 0.178 0.000 1.243 147 W CB 0.978 30.493 29.460 0.092 0.000 1.165 147 W HN 0.760 nan 8.180 nan 0.000 0.566 148 G N 3.896 112.590 108.800 -0.176 0.000 2.400 148 G HA2 -0.204 3.758 3.960 0.003 0.000 0.199 148 G HA3 -0.204 3.758 3.960 0.003 0.000 0.199 148 G C -0.066 174.785 174.900 -0.082 0.000 1.383 148 G CA -0.679 44.373 45.100 -0.081 0.000 1.117 148 G HN 0.520 nan 8.290 nan 0.000 0.621 149 N N 0.437 119.014 118.700 -0.205 0.000 2.043 149 N HA -0.136 4.606 4.740 0.003 0.000 0.193 149 N C 2.571 177.982 175.510 -0.166 0.000 1.037 149 N CA 1.791 54.714 53.050 -0.212 0.000 0.851 149 N CB -0.063 38.232 38.487 -0.321 0.000 1.027 149 N HN 0.472 nan 8.380 nan 0.000 0.422 150 V N -0.162 119.598 119.914 -0.257 0.000 2.515 150 V HA -0.069 4.053 4.120 0.003 0.000 0.250 150 V C 2.124 178.200 176.094 -0.030 0.000 1.058 150 V CA 1.914 64.113 62.300 -0.168 0.000 1.064 150 V CB -0.943 30.772 31.823 -0.180 0.000 0.675 150 V HN 0.438 nan 8.190 nan 0.000 0.461 151 G N -2.476 106.343 108.800 0.031 0.000 2.683 151 G HA2 -0.082 3.880 3.960 0.003 0.000 0.213 151 G HA3 -0.082 3.880 3.960 0.003 0.000 0.213 151 G C 0.503 175.416 174.900 0.021 0.000 1.142 151 G CA -0.242 44.927 45.100 0.115 0.000 0.793 151 G HN 0.439 nan 8.290 nan 0.000 0.534 152 Y N 1.858 122.029 120.300 -0.216 0.000 2.861 152 Y HA -0.066 4.486 4.550 0.003 0.000 0.344 152 Y C 2.453 178.094 175.900 -0.432 0.000 1.272 152 Y CA 0.521 58.313 58.100 -0.513 0.000 1.502 152 Y CB 0.747 39.048 38.460 -0.265 0.000 1.333 152 Y HN 0.250 nan 8.280 nan 0.000 0.634 153 R N 1.883 122.017 120.500 -0.610 0.000 2.170 153 R HA -0.208 4.134 4.340 0.003 0.000 0.242 153 R C 1.024 177.092 176.300 -0.386 0.000 1.145 153 R CA 2.176 57.973 56.100 -0.506 0.000 0.984 153 R CB -0.661 29.214 30.300 -0.707 0.000 0.869 153 R HN 0.774 nan 8.270 nan 0.000 0.455 154 H N -0.137 118.934 119.070 0.001 0.000 2.502 154 H HA 0.063 4.621 4.556 0.003 0.000 0.283 154 H C 1.682 177.160 175.328 0.250 0.000 1.015 154 H CA 1.162 57.312 56.048 0.170 0.000 1.298 154 H CB 0.414 30.356 29.762 0.300 0.000 1.411 154 H HN 0.359 nan 8.280 nan 0.000 0.556 155 S N -0.105 115.754 115.700 0.266 0.000 2.460 155 S HA -0.051 4.421 4.470 0.003 0.000 0.185 155 S C 2.126 176.818 174.600 0.152 0.000 0.908 155 S CA 0.814 59.135 58.200 0.201 0.000 0.894 155 S CB -0.278 63.006 63.200 0.141 0.000 0.855 155 S HN 0.244 nan 8.310 nan 0.000 0.574 156 T N 1.436 116.081 114.554 0.151 0.000 2.580 156 T HA -0.140 4.212 4.350 0.003 0.000 0.265 156 T C 1.549 176.380 174.700 0.218 0.000 1.063 156 T CA 2.087 64.349 62.100 0.269 0.000 1.170 156 T CB -1.002 68.116 68.868 0.416 0.000 0.863 156 T HN 0.518 nan 8.240 nan 0.000 0.418 157 Y N 1.180 121.470 120.300 -0.018 0.000 2.002 157 Y HA -0.300 4.252 4.550 0.003 0.000 0.268 157 Y C 2.088 177.791 175.900 -0.328 0.000 1.177 157 Y CA 1.518 59.438 58.100 -0.300 0.000 1.111 157 Y CB -0.909 37.168 38.460 -0.639 0.000 0.952 157 Y HN 0.294 nan 8.280 nan 0.000 0.491 158 F N -0.230 119.621 119.950 -0.164 0.000 2.126 158 F HA -0.257 4.272 4.527 0.003 0.000 0.299 158 F C 2.836 178.500 175.800 -0.227 0.000 1.096 158 F CA 1.271 59.114 58.000 -0.262 0.000 1.255 158 F CB -0.391 38.567 39.000 -0.071 0.000 0.997 158 F HN 0.011 nan 8.300 nan 0.000 0.479 159 R N 0.003 120.577 120.500 0.123 0.000 2.091 159 R HA -0.241 4.101 4.340 0.003 0.000 0.238 159 R C 2.202 178.584 176.300 0.138 0.000 1.136 159 R CA 1.899 58.079 56.100 0.134 0.000 0.959 159 R CB -0.538 29.852 30.300 0.150 0.000 0.856 159 R HN 0.313 nan 8.270 nan 0.000 0.437 160 F N 0.595 120.482 119.950 -0.105 0.000 2.094 160 F HA -0.118 4.411 4.527 0.003 0.000 0.291 160 F C 2.106 177.532 175.800 -0.623 0.000 1.109 160 F CA 1.239 58.952 58.000 -0.478 0.000 1.221 160 F CB -0.214 38.087 39.000 -1.166 0.000 1.014 160 F HN -0.082 nan 8.300 nan 0.000 0.473 161 M N 0.695 119.663 119.600 -1.052 0.000 2.144 161 M HA -0.265 4.217 4.480 0.003 0.000 0.260 161 M C 1.783 177.632 176.300 -0.751 0.000 1.067 161 M CA 1.610 56.141 55.300 -1.283 0.000 1.095 161 M CB -1.979 29.451 32.600 -1.949 0.000 1.365 161 M HN 0.364 nan 8.290 nan 0.000 0.406 162 N N -0.251 118.223 118.700 -0.376 0.000 2.289 162 N HA -0.080 4.662 4.740 0.003 0.000 0.184 162 N C 1.565 176.991 175.510 -0.141 0.000 1.016 162 N CA 0.915 53.924 53.050 -0.067 0.000 0.872 162 N CB -0.053 38.398 38.487 -0.060 0.000 0.973 162 N HN 0.368 nan 8.380 nan 0.000 0.433 163 M N -0.492 118.932 119.600 -0.293 0.000 2.541 163 M HA 0.088 4.570 4.480 0.003 0.000 0.252 163 M C 1.728 177.827 176.300 -0.335 0.000 1.125 163 M CA 0.455 55.603 55.300 -0.253 0.000 1.091 163 M CB 0.339 32.812 32.600 -0.211 0.000 1.420 163 M HN 0.250 nan 8.290 nan 0.000 0.486 164 M N -0.592 118.706 119.600 -0.503 0.000 2.940 164 M HA 0.229 4.711 4.480 0.003 0.000 0.248 164 M C 1.150 177.366 176.300 -0.140 0.000 1.379 164 M CA 1.186 56.232 55.300 -0.424 0.000 1.262 164 M CB -0.105 32.015 32.600 -0.801 0.000 1.201 164 M HN 0.163 nan 8.290 nan 0.000 0.553 165 G N -0.289 108.494 108.800 -0.029 0.000 3.310 165 G HA2 0.571 4.533 3.960 0.003 0.000 0.176 165 G HA3 0.571 4.533 3.960 0.003 0.000 0.176 165 G C -0.926 174.142 174.900 0.280 0.000 1.307 165 G CA -0.087 45.144 45.100 0.219 0.000 0.935 165 G HN 0.522 nan 8.290 nan 0.000 0.628 166 F N -3.087 116.844 119.950 -0.032 0.000 2.890 166 F HA 0.545 5.074 4.527 0.003 0.000 0.326 166 F C -1.176 174.654 175.800 0.052 0.000 1.143 166 F CA -1.135 56.876 58.000 0.019 0.000 0.906 166 F CB 1.022 40.009 39.000 -0.022 0.000 1.303 166 F HN 0.398 nan 8.300 nan 0.000 0.447 167 T N 2.499 117.074 114.554 0.036 0.000 2.733 167 T HA 0.285 4.637 4.350 0.003 0.000 0.294 167 T C -1.333 173.436 174.700 0.116 0.000 0.956 167 T CA -0.128 61.938 62.100 -0.057 0.000 0.987 167 T CB 0.149 69.047 68.868 0.050 0.000 0.920 167 T HN 0.542 nan 8.240 nan 0.000 0.470 168 Y N 2.764 122.950 120.300 -0.190 0.000 2.299 168 Y HA 0.516 5.069 4.550 0.004 0.000 0.326 168 Y C 0.110 176.068 175.900 0.097 0.000 1.164 168 Y CA -1.953 56.209 58.100 0.102 0.000 1.234 168 Y CB 0.776 39.265 38.460 0.047 0.000 1.219 168 Y HN 0.646 nan 8.280 nan 0.000 0.497 169 A N 5.686 128.318 122.820 -0.313 0.000 3.016 169 A HA 0.190 4.512 4.320 0.003 0.000 0.303 169 A C -0.221 176.985 177.584 -0.630 0.000 1.507 169 A CA -0.618 51.214 52.037 -0.342 0.000 1.196 169 A CB -0.840 18.053 19.000 -0.177 0.000 1.169 169 A HN 0.765 nan 8.150 nan 0.000 0.544 170 D N 1.429 121.549 120.400 -0.466 0.000 2.506 170 D HA -0.033 4.609 4.640 0.003 0.000 0.234 170 D C -0.084 176.149 176.300 -0.111 0.000 1.143 170 D CA 0.796 54.582 54.000 -0.356 0.000 0.871 170 D CB 0.423 41.261 40.800 0.062 0.000 1.190 170 D HN 0.526 nan 8.370 nan 0.000 0.459 171 H N 2.372 121.370 119.070 -0.120 0.000 2.610 171 H HA 0.117 4.675 4.556 0.003 0.000 0.336 171 H C 0.523 175.995 175.328 0.239 0.000 1.087 171 H CA -0.485 55.569 56.048 0.010 0.000 1.405 171 H CB 0.406 30.168 29.762 -0.000 0.000 1.460 171 H HN 0.382 nan 8.280 nan 0.000 0.538 172 N N 3.951 122.875 118.700 0.374 0.000 2.482 172 N HA 0.042 4.784 4.740 0.003 0.000 0.260 172 N C -2.490 173.295 175.510 0.459 0.000 1.236 172 N CA -1.575 51.708 53.050 0.388 0.000 0.938 172 N CB 0.852 39.521 38.487 0.303 0.000 1.128 172 N HN 0.306 nan 8.380 nan 0.000 0.448 173 P HA 0.030 nan 4.420 nan 0.000 0.232 173 P C -0.071 177.358 177.300 0.215 0.000 1.738 173 P CA -0.181 62.864 63.100 -0.092 0.000 0.948 173 P CB -0.371 30.903 31.700 -0.710 0.000 1.943 174 D N 0.155 120.686 120.400 0.218 0.000 2.192 174 D HA -0.251 4.390 4.640 0.003 0.000 0.189 174 D C 1.406 177.693 176.300 -0.022 0.000 1.007 174 D CA 1.871 55.931 54.000 0.101 0.000 0.859 174 D CB -1.297 39.516 40.800 0.021 0.000 0.936 174 D HN 0.127 nan 8.370 nan 0.000 0.447 175 S N -1.222 114.309 115.700 -0.283 0.000 2.402 175 S HA -0.053 4.419 4.470 0.003 0.000 0.229 175 S C 1.378 175.624 174.600 -0.590 0.000 1.021 175 S CA 0.905 58.597 58.200 -0.846 0.000 0.974 175 S CB -0.346 61.715 63.200 -1.898 0.000 0.800 175 S HN 0.472 nan 8.310 nan 0.000 0.484 176 W N 1.379 122.682 121.300 0.004 0.000 3.107 176 W HA 0.230 4.891 4.660 0.003 0.000 0.293 176 W C 1.267 178.002 176.519 0.361 0.000 1.239 176 W CA -0.466 57.062 57.345 0.304 0.000 1.653 176 W CB -0.318 29.270 29.460 0.214 0.000 1.068 176 W HN 0.220 nan 8.180 nan 0.000 0.615 177 E N 0.821 121.309 120.200 0.480 0.000 2.654 177 E HA -0.313 4.039 4.350 0.003 0.000 0.247 177 E C 2.132 179.058 176.600 0.543 0.000 0.985 177 E CA 2.511 59.220 56.400 0.514 0.000 1.260 177 E CB -1.458 28.461 29.700 0.365 0.000 1.214 177 E HN 0.315 nan 8.360 nan 0.000 0.499 178 G N -0.074 108.946 108.800 0.367 0.000 2.476 178 G HA2 -0.257 3.705 3.960 0.003 0.000 0.218 178 G HA3 -0.257 3.705 3.960 0.003 0.000 0.218 178 G C 1.394 176.344 174.900 0.084 0.000 1.164 178 G CA 1.241 46.436 45.100 0.158 0.000 0.768 178 G HN 0.349 nan 8.290 nan 0.000 0.560 179 W N -0.461 120.978 121.300 0.232 0.000 2.519 179 W HA 0.127 4.789 4.660 0.003 0.000 0.266 179 W C 2.304 178.893 176.519 0.117 0.000 1.253 179 W CA 0.667 58.101 57.345 0.148 0.000 1.274 179 W CB -0.306 29.287 29.460 0.222 0.000 1.114 179 W HN 0.296 nan 8.180 nan 0.000 0.596 180 H N -1.289 117.935 119.070 0.257 0.000 2.306 180 H HA -0.105 4.453 4.556 0.003 0.000 0.307 180 H C 1.082 176.315 175.328 -0.158 0.000 1.061 180 H CA 1.838 57.840 56.048 -0.076 0.000 1.359 180 H CB -0.771 28.837 29.762 -0.257 0.000 1.407 180 H HN 0.179 nan 8.280 nan 0.000 0.517 181 W N 0.608 122.100 121.300 0.321 0.000 3.047 181 W HA 0.235 4.897 4.660 0.004 0.000 0.250 181 W C 2.084 178.735 176.519 0.220 0.000 1.314 181 W CA 0.498 58.000 57.345 0.261 0.000 1.540 181 W CB 0.145 29.784 29.460 0.298 0.000 1.127 181 W HN 0.288 nan 8.180 nan 0.000 0.679 182 G N -0.569 108.408 108.800 0.296 0.000 2.621 182 G HA2 0.133 4.095 3.960 0.003 0.000 0.209 182 G HA3 0.133 4.095 3.960 0.003 0.000 0.209 182 G C 1.599 176.507 174.900 0.014 0.000 1.379 182 G CA 0.326 45.531 45.100 0.176 0.000 0.766 182 G HN 0.140 nan 8.290 nan 0.000 0.599 183 G N 0.774 109.491 108.800 -0.139 0.000 2.479 183 G HA2 -0.199 3.763 3.960 0.003 0.000 0.220 183 G HA3 -0.199 3.763 3.960 0.003 0.000 0.220 183 G C 1.717 176.599 174.900 -0.030 0.000 1.115 183 G CA 1.113 46.063 45.100 -0.250 0.000 0.757 183 G HN 0.343 nan 8.290 nan 0.000 0.560 184 M N -0.151 119.436 119.600 -0.021 0.000 2.213 184 M HA -0.077 4.405 4.480 0.003 0.000 0.263 184 M C 2.207 178.411 176.300 -0.159 0.000 1.062 184 M CA 1.168 56.409 55.300 -0.098 0.000 1.105 184 M CB -0.191 32.170 32.600 -0.399 0.000 1.385 184 M HN 0.291 nan 8.290 nan 0.000 0.417 185 H N -1.190 117.884 119.070 0.006 0.000 2.502 185 H HA -0.069 4.489 4.556 0.003 0.000 0.283 185 H C 1.853 177.189 175.328 0.012 0.000 1.015 185 H CA 1.447 57.497 56.048 0.005 0.000 1.298 185 H CB -0.244 29.521 29.762 0.006 0.000 1.411 185 H HN 0.517 nan 8.280 nan 0.000 0.556 186 M N 0.028 119.666 119.600 0.064 0.000 2.325 186 M HA -0.049 4.433 4.480 0.003 0.000 0.265 186 M C 0.893 177.244 176.300 0.084 0.000 1.094 186 M CA 1.109 56.386 55.300 -0.037 0.000 1.161 186 M CB 0.436 32.861 32.600 -0.293 0.000 1.358 186 M HN 0.272 nan 8.290 nan 0.000 0.446 187 W N -0.089 121.154 121.300 -0.094 0.000 2.036 187 W HA 0.634 5.296 4.660 0.003 0.000 0.298 187 W C 0.255 176.709 176.519 -0.108 0.000 0.885 187 W CA -0.412 56.879 57.345 -0.090 0.000 1.488 187 W CB -1.222 28.208 29.460 -0.049 0.000 1.079 187 W HN 0.465 nan 8.180 nan 0.000 0.506 188 G N 2.067 110.962 108.800 0.159 0.000 2.527 188 G HA2 -0.326 3.636 3.960 0.003 0.000 0.262 188 G HA3 -0.326 3.636 3.960 0.003 0.000 0.262 188 G C 0.283 175.035 174.900 -0.247 0.000 1.153 188 G CA 0.620 45.655 45.100 -0.109 0.000 0.954 188 G HN 0.593 nan 8.290 nan 0.000 0.552 189 F N 0.601 120.099 119.950 -0.754 0.000 3.074 189 F HA -0.225 4.304 4.527 0.003 0.000 0.287 189 F C 2.218 177.301 175.800 -1.195 0.000 0.932 189 F CA 1.632 58.717 58.000 -1.525 0.000 0.995 189 F CB -1.783 36.532 39.000 -1.142 0.000 0.966 189 F HN 1.295 nan 8.300 nan 0.000 0.721 190 S N -0.475 114.857 115.700 -0.614 0.000 2.399 190 S HA -0.238 4.234 4.470 0.003 0.000 0.231 190 S C 1.558 176.013 174.600 -0.241 0.000 1.022 190 S CA 1.212 59.217 58.200 -0.326 0.000 0.983 190 S CB -0.786 62.325 63.200 -0.149 0.000 0.803 190 S HN 0.732 nan 8.310 nan 0.000 0.480 191 W N 1.345 122.621 121.300 -0.040 0.000 2.721 191 W HA 0.325 4.987 4.660 0.004 0.000 0.245 191 W C 1.636 178.127 176.519 -0.046 0.000 1.276 191 W CA -0.093 57.249 57.345 -0.006 0.000 1.342 191 W CB -0.224 29.268 29.460 0.054 0.000 1.135 191 W HN 0.095 nan 8.180 nan 0.000 0.654 192 R N 0.776 120.906 120.500 -0.617 0.000 2.577 192 R HA 0.255 4.597 4.340 0.003 0.000 0.344 192 R C 0.627 176.653 176.300 -0.457 0.000 1.037 192 R CA -0.234 55.593 56.100 -0.455 0.000 1.102 192 R CB -0.131 29.829 30.300 -0.565 0.000 1.313 192 R HN 0.199 nan 8.270 nan 0.000 0.561 193 L N 0.177 121.092 121.223 -0.514 0.000 3.839 193 L HA -0.338 4.004 4.340 0.003 0.000 0.416 193 L C 0.844 177.564 176.870 -0.251 0.000 1.195 193 L CA 0.890 55.387 54.840 -0.571 0.000 0.946 193 L CB -1.776 39.509 42.059 -1.290 0.000 1.891 193 L HN 0.672 nan 8.230 nan 0.000 0.963 194 G N -2.400 106.304 108.800 -0.161 0.000 2.259 194 G HA2 -0.230 3.732 3.960 0.003 0.000 0.217 194 G HA3 -0.230 3.732 3.960 0.003 0.000 0.217 194 G C 0.225 175.254 174.900 0.215 0.000 1.001 194 G CA 0.108 45.314 45.100 0.178 0.000 0.627 194 G HN 0.342 nan 8.290 nan 0.000 0.501 195 N N 2.819 121.440 118.700 -0.132 0.000 2.525 195 N HA 0.475 5.217 4.740 0.003 0.000 0.271 195 N C -2.217 172.781 175.510 -0.854 0.000 1.194 195 N CA -0.985 51.783 53.050 -0.471 0.000 0.964 195 N CB 1.276 39.461 38.487 -0.503 0.000 1.126 195 N HN 0.300 nan 8.380 nan 0.000 0.452 196 P HA 0.124 nan 4.420 nan 0.000 0.278 196 P C -0.440 176.334 177.300 -0.877 0.000 1.258 196 P CA -0.389 61.850 63.100 -1.433 0.000 0.811 196 P CB 0.991 32.230 31.700 -0.769 0.000 1.063 197 E N 0.956 120.771 120.200 -0.642 0.000 2.345 197 E HA 0.140 4.492 4.350 0.003 0.000 0.259 197 E C 0.133 176.587 176.600 -0.244 0.000 1.117 197 E CA -0.606 55.641 56.400 -0.254 0.000 0.913 197 E CB 0.383 30.218 29.700 0.226 0.000 1.057 197 E HN 0.299 nan 8.360 nan 0.000 0.432 198 Q N 0.443 120.036 119.800 -0.345 0.000 2.073 198 Q HA 0.079 4.421 4.340 0.003 0.000 0.215 198 Q C -0.855 175.050 176.000 -0.160 0.000 0.776 198 Q CA -0.275 55.406 55.803 -0.202 0.000 1.008 198 Q CB 0.272 28.901 28.738 -0.183 0.000 1.196 198 Q HN 0.556 nan 8.270 nan 0.000 0.458 199 Y N 2.507 122.745 120.300 -0.104 0.000 2.987 199 Y HA -0.201 4.351 4.550 0.003 0.000 0.339 199 Y C 1.045 176.972 175.900 0.044 0.000 1.272 199 Y CA 0.798 58.845 58.100 -0.089 0.000 1.562 199 Y CB 0.112 38.470 38.460 -0.170 0.000 1.253 199 Y HN 0.173 nan 8.280 nan 0.000 0.604 200 D N 1.286 121.873 120.400 0.312 0.000 2.860 200 D HA -0.268 4.374 4.640 0.003 0.000 0.229 200 D C 0.916 177.164 176.300 -0.086 0.000 1.169 200 D CA 0.923 54.997 54.000 0.122 0.000 0.737 200 D CB -0.855 40.042 40.800 0.161 0.000 1.080 200 D HN 0.644 nan 8.370 nan 0.000 0.424 201 L N -0.505 120.588 121.223 -0.217 0.000 2.313 201 L HA -0.090 4.252 4.340 0.003 0.000 0.214 201 L C 2.478 178.763 176.870 -0.975 0.000 1.119 201 L CA 0.202 54.672 54.840 -0.616 0.000 0.809 201 L CB -0.123 41.425 42.059 -0.851 0.000 0.933 201 L HN 0.131 nan 8.230 nan 0.000 0.449 202 L N 0.562 121.465 121.223 -0.533 0.000 1.989 202 L HA -0.265 4.077 4.340 0.003 0.000 0.211 202 L C 2.479 179.133 176.870 -0.360 0.000 1.071 202 L CA 2.142 56.776 54.840 -0.343 0.000 0.749 202 L CB -0.499 41.513 42.059 -0.078 0.000 0.890 202 L HN 0.312 nan 8.230 nan 0.000 0.431 203 E N -1.088 118.945 120.200 -0.278 0.000 2.110 203 E HA -0.290 4.062 4.350 0.003 0.000 0.193 203 E C 1.896 178.355 176.600 -0.235 0.000 0.988 203 E CA 1.411 57.686 56.400 -0.208 0.000 0.804 203 E CB -0.223 29.394 29.700 -0.138 0.000 0.745 203 E HN 0.645 nan 8.360 nan 0.000 0.458 204 D N -0.491 119.756 120.400 -0.256 0.000 2.104 204 D HA -0.120 4.522 4.640 0.003 0.000 0.194 204 D C 1.905 178.080 176.300 -0.210 0.000 0.994 204 D CA 1.815 55.732 54.000 -0.139 0.000 0.830 204 D CB -0.582 40.163 40.800 -0.092 0.000 0.959 204 D HN 0.296 nan 8.370 nan 0.000 0.452 205 G N 0.214 108.657 108.800 -0.595 0.000 2.421 205 G HA2 -0.201 3.761 3.960 0.003 0.000 0.216 205 G HA3 -0.201 3.761 3.960 0.003 0.000 0.216 205 G C 1.771 176.540 174.900 -0.218 0.000 1.171 205 G CA 0.622 45.340 45.100 -0.637 0.000 0.775 205 G HN 0.356 nan 8.290 nan 0.000 0.543 206 L N -0.219 120.868 121.223 -0.226 0.000 2.187 206 L HA -0.064 4.278 4.340 0.003 0.000 0.213 206 L C 2.847 179.613 176.870 -0.173 0.000 1.100 206 L CA 1.203 55.920 54.840 -0.206 0.000 0.765 206 L CB -0.133 41.714 42.059 -0.352 0.000 0.904 206 L HN 0.203 nan 8.230 nan 0.000 0.437 207 K N -1.754 118.496 120.400 -0.250 0.000 2.211 207 K HA 0.028 4.350 4.320 0.003 0.000 0.201 207 K C 1.485 177.825 176.600 -0.433 0.000 1.052 207 K CA 0.601 56.653 56.287 -0.392 0.000 0.973 207 K CB 0.256 32.370 32.500 -0.643 0.000 0.766 207 K HN 0.377 nan 8.250 nan 0.000 0.466 208 H N -1.125 117.993 119.070 0.079 0.000 3.255 208 H HA 0.270 4.828 4.556 0.003 0.000 0.256 208 H C 0.203 175.658 175.328 0.211 0.000 1.049 208 H CA -0.168 55.959 56.048 0.131 0.000 1.202 208 H CB 0.287 30.131 29.762 0.136 0.000 1.497 208 H HN 0.006 nan 8.280 nan 0.000 0.503 209 A N 1.805 124.852 122.820 0.379 0.000 2.548 209 A HA 0.045 4.367 4.320 0.003 0.000 0.247 209 A C 0.796 178.538 177.584 0.263 0.000 1.067 209 A CA 0.368 52.667 52.037 0.438 0.000 0.757 209 A CB 0.271 19.467 19.000 0.327 0.000 0.996 209 A HN 0.456 nan 8.150 nan 0.000 0.504 210 E N 1.117 121.456 120.200 0.233 0.000 2.453 210 E HA 0.255 4.607 4.350 0.003 0.000 0.211 210 E C 0.107 176.782 176.600 0.125 0.000 0.897 210 E CA 0.221 56.710 56.400 0.147 0.000 1.063 210 E CB 0.567 30.338 29.700 0.119 0.000 1.080 210 E HN 0.817 nan 8.360 nan 0.000 0.512 211 M N 0.903 120.594 119.600 0.153 0.000 2.490 211 M HA 0.391 4.873 4.480 0.003 0.000 0.286 211 M C -2.233 174.126 176.300 0.098 0.000 1.185 211 M CA -0.417 54.950 55.300 0.110 0.000 0.912 211 M CB 2.046 34.671 32.600 0.042 0.000 1.744 211 M HN -0.130 nan 8.290 nan 0.000 0.494 212 I N 3.630 124.241 120.570 0.068 0.000 2.499 212 I HA 0.440 4.612 4.170 0.003 0.000 0.288 212 I C -0.997 174.876 176.117 -0.406 0.000 1.048 212 I CA -1.029 60.161 61.300 -0.183 0.000 1.062 212 I CB 2.293 40.101 38.000 -0.320 0.000 1.238 212 I HN 0.391 nan 8.210 nan 0.000 0.426 213 V N 6.627 126.212 119.914 -0.547 0.000 2.348 213 V HA 0.278 4.400 4.120 0.003 0.000 0.270 213 V C -0.429 175.380 176.094 -0.475 0.000 1.037 213 V CA -0.307 61.695 62.300 -0.497 0.000 0.872 213 V CB 0.534 31.990 31.823 -0.611 0.000 1.002 213 V HN 0.376 nan 8.190 nan 0.000 0.464 214 F N 4.637 124.319 119.950 -0.447 0.000 2.377 214 F HA 0.302 4.831 4.527 0.003 0.000 0.360 214 F C 0.172 175.932 175.800 -0.066 0.000 1.147 214 F CA -0.227 57.535 58.000 -0.398 0.000 1.170 214 F CB 0.514 38.904 39.000 -1.018 0.000 1.339 214 F HN 0.495 nan 8.300 nan 0.000 0.552 215 W N 3.848 125.234 121.300 0.144 0.000 2.314 215 W HA 0.260 4.922 4.660 0.003 0.000 0.310 215 W C 0.760 177.504 176.519 0.376 0.000 1.075 215 W CA -1.088 56.443 57.345 0.310 0.000 1.253 215 W CB 1.441 31.167 29.460 0.443 0.000 1.238 215 W HN 0.522 nan 8.180 nan 0.000 0.440 216 S N 3.729 119.775 115.700 0.576 0.000 3.614 216 S HA -0.234 4.237 4.470 0.003 0.000 0.360 216 S C -0.316 174.452 174.600 0.280 0.000 1.023 216 S CA 1.382 59.763 58.200 0.302 0.000 1.114 216 S CB -1.215 61.975 63.200 -0.015 0.000 0.907 216 S HN 0.528 nan 8.310 nan 0.000 0.470 217 S N 0.863 116.742 115.700 0.299 0.000 2.659 217 S HA 0.533 5.005 4.470 0.003 0.000 0.312 217 S C -1.212 173.499 174.600 0.185 0.000 1.114 217 S CA -0.539 57.810 58.200 0.248 0.000 1.063 217 S CB 1.514 64.908 63.200 0.323 0.000 0.996 217 S HN 0.420 nan 8.310 nan 0.000 0.478 218 D N 5.579 126.034 120.400 0.092 0.000 2.517 218 D HA 0.391 5.033 4.640 0.003 0.000 0.301 218 D C -1.849 174.441 176.300 -0.017 0.000 1.202 218 D CA -2.114 51.903 54.000 0.028 0.000 0.910 218 D CB 1.321 42.131 40.800 0.016 0.000 1.021 218 D HN 0.220 nan 8.370 nan 0.000 0.499 219 P HA -0.188 nan 4.420 nan 0.000 0.217 219 P C 1.282 178.543 177.300 -0.066 0.000 1.162 219 P CA 1.162 64.221 63.100 -0.068 0.000 0.901 219 P CB 0.463 32.094 31.700 -0.115 0.000 0.793 220 E N -1.047 119.124 120.200 -0.048 0.000 2.085 220 E HA -0.132 4.220 4.350 0.003 0.000 0.194 220 E C 2.019 178.624 176.600 0.008 0.000 0.994 220 E CA 1.480 57.902 56.400 0.037 0.000 0.801 220 E CB -1.278 28.450 29.700 0.047 0.000 0.743 220 E HN 0.296 nan 8.360 nan 0.000 0.453 221 T N 1.898 116.435 114.554 -0.029 0.000 2.698 221 T HA -0.049 4.303 4.350 0.003 0.000 0.260 221 T C 1.639 176.253 174.700 -0.144 0.000 1.044 221 T CA 1.117 63.165 62.100 -0.087 0.000 1.149 221 T CB -0.128 68.727 68.868 -0.022 0.000 0.864 221 T HN 0.161 nan 8.240 nan 0.000 0.419 222 N N 1.129 119.761 118.700 -0.113 0.000 2.290 222 N HA -0.055 4.687 4.740 0.003 0.000 0.179 222 N C 1.284 176.721 175.510 -0.121 0.000 1.016 222 N CA 1.233 54.213 53.050 -0.117 0.000 0.871 222 N CB -0.115 38.314 38.487 -0.096 0.000 0.987 222 N HN 0.525 nan 8.380 nan 0.000 0.431 223 S N -0.980 114.649 115.700 -0.119 0.000 3.476 223 S HA -0.218 4.254 4.470 0.003 0.000 0.309 223 S C 1.084 175.629 174.600 -0.091 0.000 1.222 223 S CA 1.928 60.053 58.200 -0.126 0.000 0.922 223 S CB -2.033 61.051 63.200 -0.193 0.000 1.023 223 S HN 0.824 nan 8.310 nan 0.000 0.591 224 G N 1.046 109.816 108.800 -0.051 0.000 5.353 224 G HA2 -0.261 3.701 3.960 0.003 0.000 0.283 224 G HA3 -0.261 3.701 3.960 0.003 0.000 0.283 224 G C 0.097 175.041 174.900 0.073 0.000 1.457 224 G CA 0.126 45.219 45.100 -0.012 0.000 0.951 224 G HN 2.037 nan 8.290 nan 0.000 0.731 225 I N -1.999 118.551 120.570 -0.033 0.000 2.696 225 I HA 0.337 4.509 4.170 0.003 0.000 0.287 225 I C 0.326 176.331 176.117 -0.187 0.000 1.702 225 I CA -0.099 61.081 61.300 -0.201 0.000 1.070 225 I CB 0.232 38.102 38.000 -0.217 0.000 1.569 225 I HN 1.199 nan 8.210 nan 0.000 0.455 226 Y N 3.352 123.687 120.300 0.058 0.000 4.798 226 Y HA -0.302 4.250 4.550 0.003 0.000 0.237 226 Y C 1.109 176.990 175.900 -0.032 0.000 1.017 226 Y CA 0.739 58.818 58.100 -0.035 0.000 2.010 226 Y CB -1.781 36.617 38.460 -0.103 0.000 1.582 226 Y HN 0.678 nan 8.280 nan 0.000 0.621 227 A N 0.087 122.920 122.820 0.021 0.000 2.465 227 A HA 0.581 4.903 4.320 0.003 0.000 0.255 227 A C 1.806 179.393 177.584 0.004 0.000 1.274 227 A CA 0.993 52.976 52.037 -0.090 0.000 0.920 227 A CB -0.586 18.307 19.000 -0.177 0.000 1.033 227 A HN 1.280 nan 8.150 nan 0.000 0.516 228 G N 0.426 109.190 108.800 -0.061 0.000 2.665 228 G HA2 -0.359 3.603 3.960 0.003 0.000 0.326 228 G HA3 -0.359 3.603 3.960 0.003 0.000 0.326 228 G C 0.216 174.763 174.900 -0.589 0.000 1.231 228 G CA 1.177 46.108 45.100 -0.282 0.000 0.992 228 G HN 0.733 nan 8.290 nan 0.000 0.549 229 F N 1.609 121.567 119.950 0.013 0.000 2.790 229 F HA 0.394 4.923 4.527 0.003 0.000 0.371 229 F C 1.589 177.381 175.800 -0.014 0.000 1.293 229 F CA -0.060 57.922 58.000 -0.030 0.000 1.205 229 F CB 1.067 40.031 39.000 -0.059 0.000 1.047 229 F HN 0.261 nan 8.300 nan 0.000 0.510 230 E N 0.255 120.525 120.200 0.117 0.000 2.110 230 E HA -0.166 4.186 4.350 0.003 0.000 0.193 230 E C 2.127 178.759 176.600 0.053 0.000 0.988 230 E CA 1.688 58.150 56.400 0.103 0.000 0.804 230 E CB -0.117 29.623 29.700 0.066 0.000 0.745 230 E HN 0.420 nan 8.360 nan 0.000 0.458 231 S N 0.777 116.485 115.700 0.015 0.000 2.593 231 S HA -0.021 4.451 4.470 0.003 0.000 0.217 231 S C 1.549 176.109 174.600 -0.067 0.000 0.966 231 S CA 0.229 58.414 58.200 -0.024 0.000 0.914 231 S CB -0.147 63.022 63.200 -0.050 0.000 0.776 231 S HN 0.166 nan 8.310 nan 0.000 0.523 232 N N 2.325 121.002 118.700 -0.040 0.000 2.069 232 N HA -0.136 4.606 4.740 0.003 0.000 0.191 232 N C 1.653 177.062 175.510 -0.168 0.000 1.031 232 N CA 1.704 54.712 53.050 -0.071 0.000 0.852 232 N CB -0.356 38.113 38.487 -0.031 0.000 1.018 232 N HN 0.605 nan 8.380 nan 0.000 0.423 233 I N 0.801 121.207 120.570 -0.272 0.000 2.676 233 I HA -0.150 4.022 4.170 0.003 0.000 0.259 233 I C 2.196 177.766 176.117 -0.911 0.000 1.194 233 I CA 0.587 61.566 61.300 -0.536 0.000 1.473 233 I CB -0.010 37.643 38.000 -0.579 0.000 1.096 233 I HN 0.142 nan 8.210 nan 0.000 0.443 234 R N 0.188 120.323 120.500 -0.608 0.000 2.092 234 R HA -0.084 4.258 4.340 0.003 0.000 0.231 234 R C 2.295 178.593 176.300 -0.003 0.000 1.119 234 R CA 1.083 56.998 56.100 -0.309 0.000 0.970 234 R CB -0.307 29.995 30.300 0.004 0.000 0.864 234 R HN 0.330 nan 8.270 nan 0.000 0.440 235 R N 0.258 120.743 120.500 -0.024 0.000 2.148 235 R HA -0.100 4.242 4.340 0.003 0.000 0.223 235 R C 2.209 178.655 176.300 0.244 0.000 1.088 235 R CA 0.939 57.123 56.100 0.140 0.000 0.985 235 R CB -0.006 30.290 30.300 -0.006 0.000 0.880 235 R HN 0.110 nan 8.270 nan 0.000 0.451 236 Q N 0.006 119.841 119.800 0.058 0.000 2.079 236 Q HA -0.147 4.195 4.340 0.003 0.000 0.200 236 Q C 1.449 177.589 176.000 0.234 0.000 0.974 236 Q CA 1.463 57.319 55.803 0.088 0.000 0.840 236 Q CB -0.049 28.661 28.738 -0.046 0.000 0.898 236 Q HN 0.263 nan 8.270 nan 0.000 0.430 237 W N 0.461 121.873 121.300 0.188 0.000 2.354 237 W HA -0.103 4.559 4.660 0.003 0.000 0.315 237 W C 1.993 178.595 176.519 0.138 0.000 1.206 237 W CA 0.726 58.195 57.345 0.207 0.000 1.290 237 W CB -1.192 28.348 29.460 0.134 0.000 1.152 237 W HN 0.230 nan 8.180 nan 0.000 0.489 238 L N 0.369 121.821 121.223 0.381 0.000 2.013 238 L HA -0.267 4.075 4.340 0.003 0.000 0.212 238 L C 2.569 179.532 176.870 0.156 0.000 1.073 238 L CA 1.909 56.916 54.840 0.279 0.000 0.753 238 L CB -1.024 41.281 42.059 0.410 0.000 0.890 238 L HN -0.048 nan 8.230 nan 0.000 0.432 239 K N 0.004 120.490 120.400 0.143 0.000 2.063 239 K HA -0.218 4.104 4.320 0.003 0.000 0.208 239 K C 1.452 178.054 176.600 0.003 0.000 1.048 239 K CA 1.830 58.064 56.287 -0.089 0.000 0.928 239 K CB -0.030 32.488 32.500 0.030 0.000 0.713 239 K HN 0.319 nan 8.250 nan 0.000 0.442 240 D N 0.440 120.914 120.400 0.124 0.000 2.363 240 D HA -0.057 4.585 4.640 0.003 0.000 0.220 240 D C 1.418 177.794 176.300 0.128 0.000 0.994 240 D CA 0.576 54.655 54.000 0.132 0.000 0.890 240 D CB 0.247 41.166 40.800 0.199 0.000 0.906 240 D HN 0.285 nan 8.370 nan 0.000 0.530 241 L N -0.479 120.823 121.223 0.130 0.000 2.592 241 L HA 0.166 4.508 4.340 0.003 0.000 0.227 241 L C 1.243 178.152 176.870 0.065 0.000 1.127 241 L CA 0.217 55.128 54.840 0.118 0.000 0.884 241 L CB 0.238 42.377 42.059 0.134 0.000 1.065 241 L HN 0.073 nan 8.230 nan 0.000 0.457 242 G N 0.221 109.034 108.800 0.023 0.000 2.132 242 G HA2 -0.216 3.746 3.960 0.003 0.000 0.228 242 G HA3 -0.216 3.746 3.960 0.003 0.000 0.228 242 G C 0.006 174.884 174.900 -0.036 0.000 1.000 242 G CA -0.118 44.977 45.100 -0.007 0.000 0.693 242 G HN 0.058 nan 8.290 nan 0.000 0.515 243 V N 1.520 121.383 119.914 -0.085 0.000 2.461 243 V HA 0.322 4.444 4.120 0.003 0.000 0.275 243 V C 0.364 176.274 176.094 -0.306 0.000 1.047 243 V CA -0.799 61.444 62.300 -0.094 0.000 0.955 243 V CB 1.399 33.237 31.823 0.025 0.000 0.988 243 V HN 0.304 nan 8.190 nan 0.000 0.471 244 D N 4.378 124.708 120.400 -0.117 0.000 2.345 244 D HA 0.310 4.952 4.640 0.003 0.000 0.247 244 D C -0.534 175.843 176.300 0.127 0.000 1.108 244 D CA 0.384 54.337 54.000 -0.078 0.000 0.894 244 D CB 1.143 41.959 40.800 0.025 0.000 1.203 244 D HN 0.395 nan 8.370 nan 0.000 0.430 245 F N 1.282 121.322 119.950 0.150 0.000 2.403 245 F HA 0.274 4.803 4.527 0.003 0.000 0.355 245 F C 0.078 175.997 175.800 0.200 0.000 1.119 245 F CA -1.040 57.095 58.000 0.225 0.000 1.007 245 F CB 1.589 40.820 39.000 0.385 0.000 1.194 245 F HN -0.129 nan 8.300 nan 0.000 0.443 246 V N 4.382 124.418 119.914 0.203 0.000 2.435 246 V HA 0.379 4.501 4.120 0.003 0.000 0.290 246 V C -0.600 175.437 176.094 -0.094 0.000 1.030 246 V CA -0.739 61.588 62.300 0.044 0.000 0.881 246 V CB 1.713 33.432 31.823 -0.173 0.000 0.983 246 V HN 0.429 nan 8.190 nan 0.000 0.445 247 F N 4.664 124.608 119.950 -0.011 0.000 2.467 247 F HA 0.628 5.157 4.527 0.003 0.000 0.336 247 F C 0.102 175.888 175.800 -0.023 0.000 1.123 247 F CA -0.685 57.348 58.000 0.055 0.000 0.964 247 F CB 1.648 40.709 39.000 0.101 0.000 1.136 247 F HN 0.229 nan 8.300 nan 0.000 0.447 248 I N 3.641 124.236 120.570 0.041 0.000 2.405 248 I HA 0.334 4.506 4.170 0.003 0.000 0.280 248 I C -1.176 175.024 176.117 0.138 0.000 1.027 248 I CA -0.253 60.987 61.300 -0.101 0.000 1.161 248 I CB 1.145 38.712 38.000 -0.721 0.000 1.300 248 I HN 0.445 nan 8.210 nan 0.000 0.463 249 D N 7.942 128.528 120.400 0.310 0.000 2.931 249 D HA 0.245 4.887 4.640 0.003 0.000 0.215 249 D C -2.325 174.242 176.300 0.444 0.000 1.297 249 D CA -1.597 52.610 54.000 0.346 0.000 0.892 249 D CB 3.256 44.246 40.800 0.317 0.000 1.642 249 D HN 0.004 nan 8.370 nan 0.000 0.560 250 P HA -0.117 nan 4.420 nan 0.000 0.217 250 P C -0.052 177.523 177.300 0.460 0.000 1.151 250 P CA 1.190 64.464 63.100 0.289 0.000 0.849 250 P CB -0.004 31.813 31.700 0.195 0.000 0.787 251 H N -0.854 118.379 119.070 0.272 0.000 2.476 251 H HA 0.343 4.901 4.556 0.003 0.000 0.328 251 H C -0.233 175.021 175.328 -0.124 0.000 1.073 251 H CA -1.176 54.915 56.048 0.071 0.000 1.229 251 H CB 0.602 30.297 29.762 -0.113 0.000 1.432 251 H HN -0.152 nan 8.280 nan 0.000 0.477 252 M N 6.271 125.417 119.600 -0.756 0.000 2.760 252 M HA -0.022 4.460 4.480 0.003 0.000 0.314 252 M C -0.466 175.007 176.300 -1.377 0.000 1.582 252 M CA -0.331 54.010 55.300 -1.599 0.000 1.484 252 M CB -0.663 30.667 32.600 -2.117 0.000 1.621 252 M HN 0.690 nan 8.290 nan 0.000 0.470 253 N N 2.392 120.434 118.700 -1.097 0.000 2.288 253 N HA -0.022 4.720 4.740 0.003 0.000 0.237 253 N C 0.613 175.629 175.510 -0.824 0.000 1.311 253 N CA 0.089 52.537 53.050 -1.004 0.000 0.909 253 N CB 0.301 38.501 38.487 -0.478 0.000 1.167 253 N HN 0.471 nan 8.380 nan 0.000 0.476 254 H N -0.784 118.058 119.070 -0.381 0.000 2.422 254 H HA -0.088 4.470 4.556 0.003 0.000 0.298 254 H C 1.206 176.333 175.328 -0.336 0.000 1.098 254 H CA 2.025 57.895 56.048 -0.296 0.000 1.315 254 H CB -0.595 29.061 29.762 -0.178 0.000 1.382 254 H HN 0.646 nan 8.280 nan 0.000 0.523 255 T N 0.743 115.127 114.554 -0.283 0.000 2.857 255 T HA -0.003 4.349 4.350 0.003 0.000 0.266 255 T C 2.352 176.604 174.700 -0.748 0.000 1.048 255 T CA 1.001 62.881 62.100 -0.367 0.000 1.139 255 T CB -0.236 68.477 68.868 -0.258 0.000 0.874 255 T HN 0.454 nan 8.240 nan 0.000 0.455 256 A N 2.072 124.209 122.820 -1.138 0.000 1.898 256 A HA -0.067 4.255 4.320 0.003 0.000 0.216 256 A C 2.331 179.462 177.584 -0.754 0.000 1.181 256 A CA 1.055 52.210 52.037 -1.471 0.000 0.620 256 A CB -0.451 17.743 19.000 -1.343 0.000 0.819 256 A HN 0.404 nan 8.150 nan 0.000 0.442 257 R N -1.179 118.965 120.500 -0.593 0.000 2.159 257 R HA -0.114 4.228 4.340 0.003 0.000 0.237 257 R C 1.885 178.025 176.300 -0.266 0.000 1.131 257 R CA 1.373 57.239 56.100 -0.390 0.000 0.982 257 R CB -0.406 29.707 30.300 -0.311 0.000 0.868 257 R HN 0.493 nan 8.270 nan 0.000 0.453 258 L N -0.129 120.930 121.223 -0.272 0.000 2.200 258 L HA -0.003 4.339 4.340 0.003 0.000 0.200 258 L C 1.358 178.160 176.870 -0.114 0.000 1.072 258 L CA 1.151 55.890 54.840 -0.168 0.000 0.787 258 L CB 0.632 42.604 42.059 -0.145 0.000 0.957 258 L HN 0.028 nan 8.230 nan 0.000 0.459 259 V N -3.096 116.739 119.914 -0.131 0.000 3.070 259 V HA 0.665 4.787 4.120 0.003 0.000 0.355 259 V C 0.369 176.580 176.094 0.196 0.000 1.400 259 V CA -0.233 62.115 62.300 0.080 0.000 1.170 259 V CB -0.561 31.432 31.823 0.284 0.000 1.169 259 V HN 0.213 nan 8.190 nan 0.000 0.554 260 A N 0.032 122.824 122.820 -0.047 0.000 2.363 260 A HA 0.531 4.853 4.320 0.003 0.000 0.270 260 A C 0.739 178.430 177.584 0.179 0.000 1.121 260 A CA 0.121 52.224 52.037 0.110 0.000 0.800 260 A CB 0.318 19.201 19.000 -0.194 0.000 1.052 260 A HN 0.476 nan 8.150 nan 0.000 0.493 261 D N -0.002 120.560 120.400 0.269 0.000 2.355 261 D HA 0.106 4.748 4.640 0.003 0.000 0.206 261 D C 0.024 176.431 176.300 0.178 0.000 1.010 261 D CA 0.939 55.042 54.000 0.171 0.000 0.875 261 D CB 0.476 41.359 40.800 0.139 0.000 0.966 261 D HN 0.448 nan 8.370 nan 0.000 0.512 262 K N -0.068 120.472 120.400 0.233 0.000 2.572 262 K HA 0.256 4.578 4.320 0.003 0.000 0.263 262 K C -2.409 174.373 176.600 0.302 0.000 0.932 262 K CA -0.679 55.748 56.287 0.233 0.000 0.838 262 K CB 1.590 34.191 32.500 0.169 0.000 1.366 262 K HN -0.085 nan 8.250 nan 0.000 0.425 263 W N 6.486 127.869 121.300 0.138 0.000 2.839 263 W HA 0.664 5.326 4.660 0.003 0.000 0.334 263 W C -1.919 174.810 176.519 0.350 0.000 1.064 263 W CA -0.924 56.504 57.345 0.138 0.000 1.236 263 W CB 0.953 30.442 29.460 0.048 0.000 1.405 263 W HN 0.302 nan 8.180 nan 0.000 0.478 264 F N 4.027 123.691 119.950 -0.477 0.000 2.480 264 F HA 0.474 5.003 4.527 0.003 0.000 0.329 264 F C 0.367 175.678 175.800 -0.816 0.000 1.091 264 F CA -1.846 55.789 58.000 -0.608 0.000 0.972 264 F CB 1.912 40.725 39.000 -0.311 0.000 1.150 264 F HN 0.298 nan 8.300 nan 0.000 0.467 265 S N 5.382 120.731 115.700 -0.585 0.000 2.269 265 S HA 0.409 4.881 4.470 0.003 0.000 0.194 265 S C -2.778 171.740 174.600 -0.136 0.000 1.547 265 S CA -1.468 56.529 58.200 -0.339 0.000 1.186 265 S CB 0.031 62.956 63.200 -0.459 0.000 1.069 265 S HN 0.269 nan 8.310 nan 0.000 0.473 266 P HA 0.229 nan 4.420 nan 0.000 0.275 266 P C -0.605 176.704 177.300 0.015 0.000 1.228 266 P CA -0.476 62.623 63.100 -0.001 0.000 0.786 266 P CB 0.745 32.497 31.700 0.088 0.000 0.927 267 K N 2.161 122.551 120.400 -0.017 0.000 2.336 267 K HA 0.140 4.462 4.320 0.003 0.000 0.262 267 K C 0.856 177.441 176.600 -0.025 0.000 0.992 267 K CA -0.390 55.883 56.287 -0.024 0.000 0.927 267 K CB -0.043 32.428 32.500 -0.049 0.000 0.956 267 K HN 0.503 nan 8.250 nan 0.000 0.495 268 I N -1.262 119.281 120.570 -0.044 0.000 2.775 268 I HA 0.047 4.219 4.170 0.003 0.000 0.290 268 I C 0.917 176.902 176.117 -0.220 0.000 1.203 268 I CA 0.391 61.633 61.300 -0.097 0.000 1.433 268 I CB -0.274 37.675 38.000 -0.085 0.000 1.354 268 I HN 0.837 nan 8.210 nan 0.000 0.579 269 G N 3.582 112.064 108.800 -0.531 0.000 2.221 269 G HA2 -0.277 3.685 3.960 0.003 0.000 0.265 269 G HA3 -0.277 3.685 3.960 0.003 0.000 0.265 269 G C 0.470 175.127 174.900 -0.406 0.000 1.041 269 G CA 0.513 44.973 45.100 -1.066 0.000 0.807 269 G HN 1.382 nan 8.290 nan 0.000 0.502 270 T N -4.143 110.357 114.554 -0.091 0.000 3.111 270 T HA 0.273 4.625 4.350 0.003 0.000 0.284 270 T C 1.205 176.182 174.700 0.462 0.000 0.983 270 T CA 0.820 63.064 62.100 0.241 0.000 0.900 270 T CB 0.389 69.312 68.868 0.091 0.000 1.132 270 T HN 0.145 nan 8.240 nan 0.000 0.531 271 D N 2.585 123.372 120.400 0.646 0.000 2.104 271 D HA -0.188 4.454 4.640 0.003 0.000 0.194 271 D C 1.948 178.794 176.300 0.909 0.000 0.994 271 D CA 1.834 56.346 54.000 0.854 0.000 0.830 271 D CB -0.211 41.155 40.800 0.943 0.000 0.959 271 D HN 0.711 nan 8.370 nan 0.000 0.452 272 H N 0.657 120.141 119.070 0.691 0.000 2.543 272 H HA 0.128 4.685 4.556 0.003 0.000 0.286 272 H C 1.753 177.581 175.328 0.834 0.000 1.037 272 H CA 0.955 57.391 56.048 0.647 0.000 1.250 272 H CB -0.657 29.508 29.762 0.672 0.000 1.373 272 H HN 0.071 nan 8.280 nan 0.000 0.580 273 A N 1.757 124.886 122.820 0.516 0.000 1.929 273 A HA 0.044 4.366 4.320 0.003 0.000 0.216 273 A C 2.699 180.496 177.584 0.355 0.000 1.176 273 A CA 0.921 53.083 52.037 0.209 0.000 0.628 273 A CB -0.636 18.164 19.000 -0.334 0.000 0.816 273 A HN 0.359 nan 8.150 nan 0.000 0.444 274 L N 0.419 121.891 121.223 0.415 0.000 2.072 274 L HA -0.144 4.198 4.340 0.003 0.000 0.205 274 L C 3.009 180.170 176.870 0.484 0.000 1.079 274 L CA 1.503 56.601 54.840 0.429 0.000 0.752 274 L CB -0.699 41.668 42.059 0.513 0.000 0.906 274 L HN 0.577 nan 8.230 nan 0.000 0.436 275 S N 0.029 116.050 115.700 0.535 0.000 2.368 275 S HA -0.179 4.293 4.470 0.003 0.000 0.225 275 S C 1.929 176.607 174.600 0.131 0.000 1.030 275 S CA 1.047 59.395 58.200 0.247 0.000 0.999 275 S CB -0.966 62.225 63.200 -0.015 0.000 0.844 275 S HN 0.284 nan 8.310 nan 0.000 0.459 276 F N 2.415 122.546 119.950 0.302 0.000 2.171 276 F HA 0.073 4.602 4.527 0.003 0.000 0.300 276 F C 2.894 178.743 175.800 0.081 0.000 1.090 276 F CA 0.826 58.938 58.000 0.186 0.000 1.293 276 F CB -0.517 38.576 39.000 0.155 0.000 1.013 276 F HN 0.316 nan 8.300 nan 0.000 0.486 277 A N -0.038 122.977 122.820 0.325 0.000 2.015 277 A HA -0.096 4.226 4.320 0.003 0.000 0.219 277 A C 2.139 179.771 177.584 0.081 0.000 1.163 277 A CA 1.222 53.374 52.037 0.191 0.000 0.646 277 A CB -0.858 18.260 19.000 0.196 0.000 0.806 277 A HN 0.426 nan 8.150 nan 0.000 0.448 278 I N -0.669 119.877 120.570 -0.039 0.000 2.333 278 I HA -0.179 3.993 4.170 0.003 0.000 0.246 278 I C 2.943 178.647 176.117 -0.687 0.000 1.106 278 I CA 0.870 61.926 61.300 -0.407 0.000 1.411 278 I CB -0.274 37.413 38.000 -0.521 0.000 1.082 278 I HN 0.342 nan 8.210 nan 0.000 0.420 279 A N 0.322 122.927 122.820 -0.358 0.000 1.877 279 A HA -0.291 4.030 4.320 0.003 0.000 0.216 279 A C 2.283 179.850 177.584 -0.027 0.000 1.186 279 A CA 1.498 53.461 52.037 -0.123 0.000 0.620 279 A CB -1.113 17.990 19.000 0.171 0.000 0.822 279 A HN 0.499 nan 8.150 nan 0.000 0.443 280 Y N 1.516 121.744 120.300 -0.121 0.000 2.069 280 Y HA -0.285 4.268 4.550 0.004 0.000 0.278 280 Y C 2.676 178.548 175.900 -0.047 0.000 1.175 280 Y CA 2.652 60.684 58.100 -0.114 0.000 1.134 280 Y CB -0.789 37.599 38.460 -0.120 0.000 0.965 280 Y HN 0.335 nan 8.280 nan 0.000 0.498 281 T N -0.275 114.334 114.554 0.091 0.000 2.720 281 T HA -0.238 4.114 4.350 0.003 0.000 0.268 281 T C 1.427 176.230 174.700 0.171 0.000 1.037 281 T CA 1.659 63.810 62.100 0.086 0.000 1.144 281 T CB -0.550 68.361 68.868 0.073 0.000 0.864 281 T HN 0.482 nan 8.240 nan 0.000 0.444 282 W N 1.255 122.560 121.300 0.008 0.000 2.388 282 W HA 0.209 4.871 4.660 0.004 0.000 0.294 282 W C 2.052 178.602 176.519 0.052 0.000 1.212 282 W CA -0.166 57.200 57.345 0.035 0.000 1.271 282 W CB -1.298 28.150 29.460 -0.020 0.000 1.126 282 W HN 0.282 nan 8.180 nan 0.000 0.535 283 L N 0.214 121.517 121.223 0.133 0.000 2.056 283 L HA -0.184 4.158 4.340 0.003 0.000 0.207 283 L C 2.546 179.432 176.870 0.026 0.000 1.078 283 L CA 1.105 55.978 54.840 0.056 0.000 0.749 283 L CB -0.809 41.172 42.059 -0.130 0.000 0.901 283 L HN -0.229 nan 8.230 nan 0.000 0.433 284 K N 0.473 120.801 120.400 -0.119 0.000 2.147 284 K HA -0.133 4.189 4.320 0.003 0.000 0.205 284 K C 1.383 177.984 176.600 0.001 0.000 1.049 284 K CA 1.284 57.491 56.287 -0.134 0.000 0.936 284 K CB -0.076 32.269 32.500 -0.258 0.000 0.722 284 K HN 0.461 nan 8.250 nan 0.000 0.446 285 E N 0.453 120.702 120.200 0.083 0.000 2.548 285 E HA 0.020 4.372 4.350 0.003 0.000 0.206 285 E C -0.770 175.902 176.600 0.119 0.000 1.005 285 E CA -0.176 56.286 56.400 0.103 0.000 0.951 285 E CB 0.436 30.216 29.700 0.134 0.000 1.035 285 E HN 0.167 nan 8.360 nan 0.000 0.470 286 D N 1.164 121.666 120.400 0.170 0.000 2.811 286 D HA -0.147 4.495 4.640 0.003 0.000 0.231 286 D C -0.237 176.110 176.300 0.079 0.000 1.157 286 D CA 1.169 55.253 54.000 0.140 0.000 0.716 286 D CB -1.397 39.418 40.800 0.024 0.000 1.077 286 D HN 0.260 nan 8.370 nan 0.000 0.428 287 S N -0.036 115.781 115.700 0.196 0.000 3.548 287 S HA 0.429 4.901 4.470 0.003 0.000 0.195 287 S C -0.157 174.378 174.600 -0.108 0.000 1.432 287 S CA -0.707 57.512 58.200 0.031 0.000 1.087 287 S CB -0.262 62.975 63.200 0.061 0.000 1.337 287 S HN 0.431 nan 8.310 nan 0.000 0.505 288 Y N -2.354 117.789 120.300 -0.263 0.000 2.764 288 Y HA 0.615 5.167 4.550 0.004 0.000 0.331 288 Y C -1.230 174.540 175.900 -0.217 0.000 1.280 288 Y CA -1.606 56.277 58.100 -0.361 0.000 1.065 288 Y CB 0.245 38.534 38.460 -0.284 0.000 1.319 288 Y HN 0.105 nan 8.280 nan 0.000 0.453 289 D N 1.705 121.992 120.400 -0.189 0.000 2.483 289 D HA 0.176 4.818 4.640 0.003 0.000 0.220 289 D C 0.300 176.481 176.300 -0.200 0.000 1.173 289 D CA 0.131 54.007 54.000 -0.208 0.000 0.964 289 D CB 0.654 41.355 40.800 -0.165 0.000 1.046 289 D HN 0.705 nan 8.370 nan 0.000 0.517 290 K N 1.781 121.934 120.400 -0.413 0.000 2.097 290 K HA -0.166 4.156 4.320 0.003 0.000 0.206 290 K C 1.407 177.938 176.600 -0.115 0.000 1.049 290 K CA 1.068 57.161 56.287 -0.324 0.000 0.933 290 K CB 0.385 32.659 32.500 -0.376 0.000 0.717 290 K HN 0.251 nan 8.250 nan 0.000 0.442 291 E N 0.286 120.432 120.200 -0.089 0.000 2.031 291 E HA -0.205 4.147 4.350 0.003 0.000 0.193 291 E C 1.751 178.340 176.600 -0.017 0.000 0.994 291 E CA 1.232 57.603 56.400 -0.049 0.000 0.800 291 E CB -0.486 29.186 29.700 -0.047 0.000 0.752 291 E HN 0.342 nan 8.360 nan 0.000 0.447 292 Y N 0.822 121.045 120.300 -0.129 0.000 2.114 292 Y HA -0.290 4.262 4.550 0.003 0.000 0.282 292 Y C 2.114 177.938 175.900 -0.126 0.000 1.165 292 Y CA 1.502 59.523 58.100 -0.133 0.000 1.148 292 Y CB -0.143 38.247 38.460 -0.117 0.000 0.972 292 Y HN -0.108 nan 8.280 nan 0.000 0.504 293 V N 0.304 120.315 119.914 0.162 0.000 2.343 293 V HA -0.336 3.786 4.120 0.003 0.000 0.247 293 V C 2.641 178.688 176.094 -0.077 0.000 1.051 293 V CA 1.738 64.027 62.300 -0.018 0.000 1.036 293 V CB -1.511 30.148 31.823 -0.274 0.000 0.654 293 V HN 0.591 nan 8.190 nan 0.000 0.451 294 A N -0.186 122.605 122.820 -0.049 0.000 1.940 294 A HA -0.105 4.217 4.320 0.003 0.000 0.219 294 A C 2.339 179.905 177.584 -0.029 0.000 1.176 294 A CA 2.228 54.255 52.037 -0.017 0.000 0.631 294 A CB -0.568 18.426 19.000 -0.010 0.000 0.814 294 A HN 0.578 nan 8.150 nan 0.000 0.446 295 A N -0.546 122.220 122.820 -0.090 0.000 1.911 295 A HA 0.026 4.348 4.320 0.003 0.000 0.212 295 A C 1.341 178.819 177.584 -0.178 0.000 1.189 295 A CA 1.001 52.955 52.037 -0.139 0.000 0.639 295 A CB -0.117 18.757 19.000 -0.209 0.000 0.839 295 A HN 0.484 nan 8.150 nan 0.000 0.449 296 N N 0.129 118.671 118.700 -0.264 0.000 2.328 296 N HA 0.450 5.192 4.740 0.003 0.000 0.247 296 N C -0.445 175.139 175.510 0.124 0.000 1.165 296 N CA 0.702 53.615 53.050 -0.228 0.000 0.873 296 N CB 0.882 38.882 38.487 -0.811 0.000 1.125 296 N HN 0.428 nan 8.380 nan 0.000 0.513 297 A N 0.162 123.079 122.820 0.161 0.000 2.515 297 A HA 0.537 4.859 4.320 0.003 0.000 0.298 297 A C -1.551 176.237 177.584 0.341 0.000 1.059 297 A CA -0.584 51.646 52.037 0.323 0.000 0.698 297 A CB 1.618 20.783 19.000 0.275 0.000 1.289 297 A HN 0.369 nan 8.150 nan 0.000 0.404 298 H N -0.011 119.261 119.070 0.337 0.000 2.538 298 H HA 0.541 5.098 4.556 0.003 0.000 0.353 298 H C 0.875 176.402 175.328 0.333 0.000 1.109 298 H CA 0.675 56.885 56.048 0.270 0.000 1.192 298 H CB 1.620 31.509 29.762 0.212 0.000 1.555 298 H HN 1.888 nan 8.280 nan 0.000 0.518 299 G N 3.492 112.027 108.800 -0.442 0.000 2.148 299 G HA2 -0.384 3.578 3.960 0.003 0.000 0.254 299 G HA3 -0.384 3.578 3.960 0.003 0.000 0.254 299 G C 0.821 175.744 174.900 0.038 0.000 0.981 299 G CA 0.596 45.553 45.100 -0.237 0.000 0.670 299 G HN 0.607 nan 8.290 nan 0.000 0.528 300 F N 1.422 121.286 119.950 -0.142 0.000 2.134 300 F HA 0.031 4.560 4.527 0.003 0.000 0.299 300 F C 2.410 178.183 175.800 -0.045 0.000 1.097 300 F CA 2.470 60.296 58.000 -0.290 0.000 1.264 300 F CB -0.082 38.716 39.000 -0.336 0.000 1.001 300 F HN 0.295 nan 8.300 nan 0.000 0.479 301 E N 0.460 120.674 120.200 0.023 0.000 2.070 301 E HA -0.243 4.109 4.350 0.003 0.000 0.197 301 E C 1.934 178.486 176.600 -0.081 0.000 1.004 301 E CA 2.032 58.412 56.400 -0.034 0.000 0.805 301 E CB -0.455 29.268 29.700 0.037 0.000 0.744 301 E HN 0.483 nan 8.360 nan 0.000 0.451 302 E N -0.677 119.510 120.200 -0.021 0.000 2.152 302 E HA -0.123 4.229 4.350 0.003 0.000 0.192 302 E C 1.593 178.215 176.600 0.037 0.000 0.983 302 E CA 0.766 57.171 56.400 0.009 0.000 0.818 302 E CB -0.354 29.371 29.700 0.042 0.000 0.758 302 E HN 0.377 nan 8.360 nan 0.000 0.467 303 W N 1.508 122.711 121.300 -0.161 0.000 2.381 303 W HA -0.058 4.604 4.660 0.003 0.000 0.301 303 W C 2.287 178.698 176.519 -0.179 0.000 1.205 303 W CA 1.897 59.176 57.345 -0.110 0.000 1.285 303 W CB -0.395 28.998 29.460 -0.113 0.000 1.133 303 W HN 0.064 nan 8.180 nan 0.000 0.521 304 A N 0.207 122.769 122.820 -0.430 0.000 1.908 304 A HA -0.241 4.080 4.320 0.003 0.000 0.218 304 A C 1.739 179.095 177.584 -0.381 0.000 1.181 304 A CA 2.200 53.898 52.037 -0.565 0.000 0.627 304 A CB -1.081 17.584 19.000 -0.558 0.000 0.818 304 A HN 0.275 nan 8.150 nan 0.000 0.445 305 D N -1.849 118.407 120.400 -0.240 0.000 2.182 305 D HA -0.159 4.483 4.640 0.003 0.000 0.201 305 D C 1.607 177.784 176.300 -0.206 0.000 0.986 305 D CA 1.506 55.400 54.000 -0.177 0.000 0.847 305 D CB -0.370 40.370 40.800 -0.098 0.000 0.942 305 D HN 0.653 nan 8.370 nan 0.000 0.467 306 Y N 1.296 121.399 120.300 -0.328 0.000 2.163 306 Y HA -0.191 4.361 4.550 0.003 0.000 0.288 306 Y C 2.150 177.764 175.900 -0.477 0.000 1.136 306 Y CA 1.098 58.980 58.100 -0.363 0.000 1.147 306 Y CB -0.378 37.871 38.460 -0.352 0.000 0.987 306 Y HN -0.198 nan 8.280 nan 0.000 0.509 307 V N 0.910 120.436 119.914 -0.647 0.000 2.469 307 V HA -0.312 3.810 4.120 0.003 0.000 0.251 307 V C 2.242 178.089 176.094 -0.413 0.000 1.064 307 V CA 1.974 63.888 62.300 -0.643 0.000 1.066 307 V CB -0.773 30.674 31.823 -0.626 0.000 0.667 307 V HN 0.450 nan 8.190 nan 0.000 0.461 308 L N 0.144 121.169 121.223 -0.330 0.000 2.599 308 L HA 0.267 4.609 4.340 0.003 0.000 0.230 308 L C 1.821 178.564 176.870 -0.212 0.000 1.141 308 L CA 0.860 55.605 54.840 -0.157 0.000 0.877 308 L CB -0.434 41.513 42.059 -0.186 0.000 1.009 308 L HN 0.552 nan 8.230 nan 0.000 0.447 309 G N 0.034 108.594 108.800 -0.401 0.000 2.176 309 G HA2 -0.307 3.655 3.960 0.003 0.000 0.253 309 G HA3 -0.307 3.655 3.960 0.003 0.000 0.253 309 G C 1.006 175.744 174.900 -0.269 0.000 0.979 309 G CA 0.430 45.288 45.100 -0.403 0.000 0.641 309 G HN 0.359 nan 8.290 nan 0.000 0.530 310 K N -0.035 120.236 120.400 -0.214 0.000 2.209 310 K HA -0.055 4.267 4.320 0.003 0.000 0.204 310 K C 2.713 179.247 176.600 -0.111 0.000 1.048 310 K CA 1.903 58.107 56.287 -0.138 0.000 0.940 310 K CB -0.157 32.275 32.500 -0.112 0.000 0.729 310 K HN 0.657 nan 8.250 nan 0.000 0.451 311 T N -1.101 113.382 114.554 -0.118 0.000 3.042 311 T HA -0.046 4.306 4.350 0.003 0.000 0.245 311 T C 1.376 176.042 174.700 -0.057 0.000 1.029 311 T CA 0.739 62.809 62.100 -0.050 0.000 1.120 311 T CB 0.045 68.934 68.868 0.034 0.000 0.917 311 T HN 0.157 nan 8.240 nan 0.000 0.467 312 D N 0.612 120.936 120.400 -0.126 0.000 2.398 312 D HA 0.265 4.907 4.640 0.003 0.000 0.210 312 D C 1.591 177.798 176.300 -0.155 0.000 1.094 312 D CA 0.437 54.367 54.000 -0.116 0.000 0.839 312 D CB -0.531 40.200 40.800 -0.114 0.000 0.963 312 D HN 0.630 nan 8.370 nan 0.000 0.506 313 G N -0.234 108.458 108.800 -0.180 0.000 2.153 313 G HA2 -0.234 3.728 3.960 0.003 0.000 0.252 313 G HA3 -0.234 3.728 3.960 0.003 0.000 0.252 313 G C 0.091 174.861 174.900 -0.216 0.000 0.994 313 G CA 0.575 45.577 45.100 -0.164 0.000 0.698 313 G HN 0.453 nan 8.290 nan 0.000 0.521 314 T N 1.656 116.008 114.554 -0.336 0.000 3.009 314 T HA 0.497 4.849 4.350 0.003 0.000 0.346 314 T C -2.764 171.543 174.700 -0.654 0.000 1.092 314 T CA -0.951 60.878 62.100 -0.451 0.000 1.080 314 T CB 2.644 71.221 68.868 -0.486 0.000 1.037 314 T HN 0.040 nan 8.240 nan 0.000 0.487 315 P HA 0.157 nan 4.420 nan 0.000 0.267 315 P C 0.026 176.763 177.300 -0.938 0.000 1.205 315 P CA -0.563 62.200 63.100 -0.562 0.000 0.765 315 P CB 0.507 32.019 31.700 -0.314 0.000 0.828 316 K N 2.386 122.150 120.400 -1.060 0.000 3.006 316 K HA 0.097 4.419 4.320 0.003 0.000 0.265 316 K C 0.757 176.832 176.600 -0.875 0.000 1.279 316 K CA 0.150 55.730 56.287 -1.179 0.000 1.229 316 K CB -1.366 30.562 32.500 -0.953 0.000 1.555 316 K HN 0.492 nan 8.250 nan 0.000 0.300 317 T N -3.311 110.676 114.554 -0.944 0.000 2.701 317 T HA -0.004 4.348 4.350 0.003 0.000 0.303 317 T C 1.635 176.245 174.700 -0.151 0.000 1.030 317 T CA -0.426 61.217 62.100 -0.761 0.000 1.010 317 T CB 0.677 69.267 68.868 -0.462 0.000 1.007 317 T HN 0.380 nan 8.240 nan 0.000 0.532 318 C N 0.688 119.950 119.300 -0.063 0.000 2.450 318 C HA 0.056 4.518 4.460 0.003 0.000 0.279 318 C C 2.833 177.809 174.990 -0.023 0.000 1.335 318 C CA 0.457 59.477 59.018 0.004 0.000 1.749 318 C CB -1.455 26.297 27.740 0.020 0.000 1.963 318 C HN 0.973 nan 8.230 nan 0.000 0.501 319 E N -0.122 120.061 120.200 -0.028 0.000 2.051 319 E HA -0.214 4.138 4.350 0.003 0.000 0.192 319 E C 1.644 178.220 176.600 -0.039 0.000 0.991 319 E CA 1.232 57.608 56.400 -0.040 0.000 0.799 319 E CB -0.405 29.277 29.700 -0.030 0.000 0.748 319 E HN 0.831 nan 8.360 nan 0.000 0.449 320 W N 1.380 122.559 121.300 -0.201 0.000 2.338 320 W HA -0.202 4.460 4.660 0.003 0.000 0.304 320 W C 2.187 178.581 176.519 -0.209 0.000 1.212 320 W CA 2.294 59.506 57.345 -0.221 0.000 1.264 320 W CB -0.366 28.911 29.460 -0.304 0.000 1.142 320 W HN 0.054 nan 8.180 nan 0.000 0.512 321 A N -0.054 122.598 122.820 -0.280 0.000 1.969 321 A HA -0.202 4.120 4.320 0.003 0.000 0.218 321 A C 2.002 179.355 177.584 -0.386 0.000 1.169 321 A CA 1.752 53.487 52.037 -0.504 0.000 0.635 321 A CB -0.965 17.971 19.000 -0.107 0.000 0.810 321 A HN 0.551 nan 8.150 nan 0.000 0.445 322 E N -0.213 119.834 120.200 -0.256 0.000 2.072 322 E HA -0.232 4.120 4.350 0.003 0.000 0.191 322 E C 1.957 178.415 176.600 -0.237 0.000 0.985 322 E CA 1.237 57.508 56.400 -0.215 0.000 0.801 322 E CB -0.146 29.457 29.700 -0.161 0.000 0.750 322 E HN 0.744 nan 8.360 nan 0.000 0.452 323 E N -0.136 119.901 120.200 -0.271 0.000 2.110 323 E HA -0.205 4.147 4.350 0.003 0.000 0.193 323 E C 1.863 178.286 176.600 -0.294 0.000 0.988 323 E CA 1.111 57.360 56.400 -0.251 0.000 0.804 323 E CB 0.210 29.767 29.700 -0.237 0.000 0.745 323 E HN 0.234 nan 8.360 nan 0.000 0.458 324 E N -0.192 119.743 120.200 -0.441 0.000 2.060 324 E HA -0.088 4.264 4.350 0.003 0.000 0.189 324 E C 2.225 178.689 176.600 -0.226 0.000 0.974 324 E CA 1.343 57.517 56.400 -0.377 0.000 0.808 324 E CB -0.038 29.280 29.700 -0.637 0.000 0.768 324 E HN 0.269 nan 8.360 nan 0.000 0.453 325 S N -1.202 114.363 115.700 -0.226 0.000 2.470 325 S HA 0.196 4.668 4.470 0.003 0.000 0.222 325 S C 1.707 176.226 174.600 -0.135 0.000 1.024 325 S CA 0.917 59.038 58.200 -0.132 0.000 0.931 325 S CB 0.616 63.762 63.200 -0.090 0.000 0.791 325 S HN 0.309 nan 8.310 nan 0.000 0.513 326 G N 0.545 109.246 108.800 -0.164 0.000 2.199 326 G HA2 -0.237 3.725 3.960 0.003 0.000 0.254 326 G HA3 -0.237 3.725 3.960 0.003 0.000 0.254 326 G C 0.068 174.855 174.900 -0.189 0.000 0.982 326 G CA 0.077 45.084 45.100 -0.156 0.000 0.632 326 G HN 0.759 nan 8.290 nan 0.000 0.529 327 V N 2.341 122.124 119.914 -0.217 0.000 2.530 327 V HA 0.403 4.525 4.120 0.003 0.000 0.282 327 V C -1.513 174.404 176.094 -0.295 0.000 1.048 327 V CA -1.396 60.718 62.300 -0.311 0.000 0.997 327 V CB 1.296 32.906 31.823 -0.357 0.000 0.987 327 V HN 0.103 nan 8.190 nan 0.000 0.477 328 P HA 0.025 nan 4.420 nan 0.000 0.261 328 P C 0.575 177.749 177.300 -0.209 0.000 1.183 328 P CA 0.350 63.310 63.100 -0.234 0.000 0.761 328 P CB 0.672 32.236 31.700 -0.226 0.000 0.785 329 A N 3.887 126.626 122.820 -0.135 0.000 1.908 329 A HA -0.252 4.070 4.320 0.003 0.000 0.218 329 A C 2.181 179.733 177.584 -0.054 0.000 1.181 329 A CA 2.041 54.026 52.037 -0.086 0.000 0.627 329 A CB -1.781 17.184 19.000 -0.059 0.000 0.818 329 A HN 0.749 nan 8.150 nan 0.000 0.445 330 C N -0.800 118.468 119.300 -0.053 0.000 2.425 330 C HA -0.046 4.416 4.460 0.003 0.000 0.277 330 C C 2.235 177.221 174.990 -0.007 0.000 1.280 330 C CA 1.076 60.084 59.018 -0.016 0.000 1.744 330 C CB -1.461 26.269 27.740 -0.016 0.000 1.989 330 C HN 0.651 nan 8.230 nan 0.000 0.491 331 E N 1.196 121.351 120.200 -0.076 0.000 2.107 331 E HA -0.015 4.337 4.350 0.003 0.000 0.191 331 E C 2.147 178.765 176.600 0.031 0.000 0.982 331 E CA 1.172 57.536 56.400 -0.060 0.000 0.809 331 E CB -0.192 29.326 29.700 -0.304 0.000 0.756 331 E HN 0.713 nan 8.360 nan 0.000 0.459 332 I N 0.996 121.527 120.570 -0.065 0.000 2.264 332 I HA -0.280 3.892 4.170 0.003 0.000 0.248 332 I C 2.735 178.941 176.117 0.147 0.000 1.111 332 I CA 1.108 62.457 61.300 0.081 0.000 1.382 332 I CB -0.221 37.789 38.000 0.016 0.000 1.060 332 I HN 0.020 nan 8.210 nan 0.000 0.418 333 R N 1.048 121.610 120.500 0.103 0.000 2.090 333 R HA -0.091 4.251 4.340 0.003 0.000 0.228 333 R C 2.393 178.793 176.300 0.168 0.000 1.110 333 R CA 1.239 57.415 56.100 0.126 0.000 0.973 333 R CB -0.149 30.211 30.300 0.100 0.000 0.869 333 R HN 0.329 nan 8.270 nan 0.000 0.440 334 A N 1.104 124.022 122.820 0.164 0.000 1.902 334 A HA -0.164 4.158 4.320 0.003 0.000 0.217 334 A C 1.985 179.714 177.584 0.242 0.000 1.181 334 A CA 1.183 53.330 52.037 0.183 0.000 0.623 334 A CB -0.523 18.574 19.000 0.162 0.000 0.818 334 A HN 0.379 nan 8.150 nan 0.000 0.443 335 L N -0.291 121.107 121.223 0.293 0.000 2.027 335 L HA 0.014 4.356 4.340 0.003 0.000 0.206 335 L C 2.655 179.792 176.870 0.444 0.000 1.074 335 L CA 2.158 57.205 54.840 0.346 0.000 0.745 335 L CB -0.912 41.374 42.059 0.379 0.000 0.898 335 L HN 0.329 nan 8.230 nan 0.000 0.433 336 A N -0.068 122.970 122.820 0.364 0.000 1.873 336 A HA -0.276 4.046 4.320 0.003 0.000 0.218 336 A C 2.428 180.371 177.584 0.597 0.000 1.193 336 A CA 2.214 54.455 52.037 0.340 0.000 0.629 336 A CB -0.649 18.377 19.000 0.042 0.000 0.826 336 A HN 0.530 nan 8.150 nan 0.000 0.447 337 R N -1.336 119.413 120.500 0.415 0.000 2.073 337 R HA -0.178 4.164 4.340 0.003 0.000 0.234 337 R C 2.548 179.056 176.300 0.346 0.000 1.134 337 R CA 1.698 58.017 56.100 0.366 0.000 0.952 337 R CB -0.334 30.113 30.300 0.245 0.000 0.850 337 R HN 0.650 nan 8.270 nan 0.000 0.433 338 Q N 0.056 120.054 119.800 0.330 0.000 2.084 338 Q HA -0.198 4.144 4.340 0.003 0.000 0.202 338 Q C 1.652 177.865 176.000 0.355 0.000 0.978 338 Q CA 1.476 57.447 55.803 0.280 0.000 0.844 338 Q CB -0.308 28.570 28.738 0.233 0.000 0.898 338 Q HN 0.419 nan 8.270 nan 0.000 0.426 339 W N 0.313 121.771 121.300 0.263 0.000 2.342 339 W HA -0.100 4.561 4.660 0.003 0.000 0.297 339 W C 1.881 178.503 176.519 0.171 0.000 1.213 339 W CA 1.979 59.499 57.345 0.292 0.000 1.251 339 W CB -0.816 28.957 29.460 0.522 0.000 1.136 339 W HN 0.297 nan 8.180 nan 0.000 0.526 340 A N 1.063 124.119 122.820 0.393 0.000 1.872 340 A HA -0.193 4.129 4.320 0.003 0.000 0.214 340 A C 1.993 179.587 177.584 0.017 0.000 1.187 340 A CA 2.135 54.155 52.037 -0.028 0.000 0.614 340 A CB -0.789 18.132 19.000 -0.131 0.000 0.826 340 A HN 0.407 nan 8.150 nan 0.000 0.442 341 K N -1.292 119.165 120.400 0.095 0.000 2.444 341 K HA 0.127 4.449 4.320 0.003 0.000 0.193 341 K C -0.221 176.423 176.600 0.073 0.000 1.024 341 K CA 0.176 56.502 56.287 0.064 0.000 1.077 341 K CB 0.235 32.781 32.500 0.076 0.000 0.833 341 K HN 0.040 nan 8.250 nan 0.000 0.517 342 K N 1.509 121.973 120.400 0.108 0.000 2.259 342 K HA 0.240 4.562 4.320 0.003 0.000 0.249 342 K C -0.977 175.670 176.600 0.078 0.000 0.942 342 K CA -0.963 55.381 56.287 0.095 0.000 0.816 342 K CB 1.426 33.993 32.500 0.111 0.000 1.155 342 K HN -0.068 nan 8.250 nan 0.000 0.428 343 N N 1.720 120.456 118.700 0.059 0.000 2.412 343 N HA 0.042 4.784 4.740 0.003 0.000 0.279 343 N C -0.838 174.683 175.510 0.020 0.000 1.287 343 N CA 0.554 53.616 53.050 0.020 0.000 0.948 343 N CB 0.090 38.624 38.487 0.080 0.000 1.255 343 N HN 0.291 nan 8.380 nan 0.000 0.485 344 T N 2.578 117.104 114.554 -0.046 0.000 2.797 344 T HA 0.359 4.711 4.350 0.003 0.000 0.279 344 T C -0.362 174.218 174.700 -0.200 0.000 0.991 344 T CA -0.361 61.681 62.100 -0.096 0.000 0.979 344 T CB 0.607 69.346 68.868 -0.215 0.000 0.943 344 T HN 0.181 nan 8.240 nan 0.000 0.444 345 Y N 1.868 122.143 120.300 -0.042 0.000 2.387 345 Y HA 0.572 5.124 4.550 0.003 0.000 0.336 345 Y C -0.105 175.720 175.900 -0.124 0.000 1.067 345 Y CA -1.283 56.833 58.100 0.026 0.000 1.114 345 Y CB 1.199 39.760 38.460 0.168 0.000 1.208 345 Y HN 0.374 nan 8.280 nan 0.000 0.458 346 L N 3.585 124.883 121.223 0.124 0.000 2.265 346 L HA 0.663 5.005 4.340 0.003 0.000 0.289 346 L C -0.151 176.726 176.870 0.011 0.000 1.033 346 L CA -0.801 54.074 54.840 0.059 0.000 0.814 346 L CB 0.494 42.729 42.059 0.293 0.000 1.203 346 L HN 0.688 nan 8.230 nan 0.000 0.423 347 A N 5.570 128.290 122.820 -0.168 0.000 3.095 347 A HA 0.731 5.053 4.320 0.003 0.000 0.301 347 A C 0.379 178.000 177.584 0.061 0.000 1.432 347 A CA -0.091 51.816 52.037 -0.217 0.000 1.140 347 A CB -0.643 17.922 19.000 -0.725 0.000 1.174 347 A HN 0.947 nan 8.150 nan 0.000 0.546 348 A N 1.292 124.207 122.820 0.160 0.000 2.354 348 A HA 0.638 4.960 4.320 0.003 0.000 0.281 348 A C 1.050 178.853 177.584 0.364 0.000 1.174 348 A CA 0.552 52.809 52.037 0.367 0.000 0.828 348 A CB -0.559 18.585 19.000 0.240 0.000 1.099 348 A HN 2.525 nan 8.150 nan 0.000 0.516 349 G N 1.481 110.589 108.800 0.514 0.000 2.814 349 G HA2 0.178 4.140 3.960 0.003 0.000 0.677 349 G HA3 0.178 4.140 3.960 0.003 0.000 0.677 349 G C 0.859 175.865 174.900 0.177 0.000 1.429 349 G CA -0.086 45.230 45.100 0.360 0.000 0.868 349 G HN 1.724 nan 8.290 nan 0.000 0.553 350 G N -1.019 107.860 108.800 0.132 0.000 2.551 350 G HA2 0.288 4.250 3.960 0.003 0.000 0.216 350 G HA3 0.288 4.250 3.960 0.003 0.000 0.216 350 G C 1.742 176.625 174.900 -0.028 0.000 1.137 350 G CA 1.642 46.776 45.100 0.055 0.000 0.798 350 G HN 1.244 nan 8.290 nan 0.000 0.536 351 L N 0.016 121.200 121.223 -0.064 0.000 2.298 351 L HA 0.477 4.819 4.340 0.003 0.000 0.209 351 L C 1.163 177.838 176.870 -0.324 0.000 1.084 351 L CA 1.543 56.223 54.840 -0.266 0.000 0.816 351 L CB 0.251 41.943 42.059 -0.612 0.000 0.967 351 L HN 0.324 nan 8.230 nan 0.000 0.460 352 G N -0.852 107.771 108.800 -0.295 0.000 2.599 352 G HA2 0.441 4.403 3.960 0.003 0.000 0.440 352 G HA3 0.441 4.403 3.960 0.003 0.000 0.440 352 G C 0.192 174.785 174.900 -0.511 0.000 1.018 352 G CA -0.374 44.550 45.100 -0.295 0.000 1.311 352 G HN 1.064 nan 8.290 nan 0.000 0.604 353 G N 0.251 108.720 108.800 -0.551 0.000 2.422 353 G HA2 0.452 4.414 3.960 0.003 0.000 0.607 353 G HA3 0.452 4.414 3.960 0.003 0.000 0.607 353 G C 0.361 175.000 174.900 -0.435 0.000 1.270 353 G CA 0.506 44.934 45.100 -1.121 0.000 0.992 353 G HN 2.047 nan 8.290 nan 0.000 0.499 354 W N -1.871 119.064 121.300 -0.609 0.000 2.871 354 W HA 0.326 4.988 4.660 0.004 0.000 0.245 354 W C 1.320 178.047 176.519 0.346 0.000 0.596 354 W CA 2.314 59.614 57.345 -0.075 0.000 0.545 354 W CB -1.508 27.807 29.460 -0.242 0.000 2.089 354 W HN 3.052 nan 8.180 nan 0.000 0.386 355 G N -1.083 107.950 108.800 0.388 0.000 2.906 355 G HA2 0.467 4.429 3.960 0.003 0.000 0.686 355 G HA3 0.467 4.429 3.960 0.003 0.000 0.686 355 G C 0.450 175.357 174.900 0.012 0.000 1.170 355 G CA 0.540 45.778 45.100 0.229 0.000 0.775 355 G HN 1.770 nan 8.290 nan 0.000 0.630 356 G N 0.736 109.478 108.800 -0.095 0.000 2.469 356 G HA2 0.180 4.142 3.960 0.003 0.000 0.220 356 G HA3 0.180 4.142 3.960 0.003 0.000 0.220 356 G C 2.136 176.931 174.900 -0.175 0.000 1.136 356 G CA 2.611 47.649 45.100 -0.103 0.000 0.759 356 G HN 2.109 nan 8.290 nan 0.000 0.562 357 A N 0.469 123.022 122.820 -0.446 0.000 1.978 357 A HA -0.164 4.158 4.320 0.003 0.000 0.220 357 A C 2.655 179.938 177.584 -0.502 0.000 1.170 357 A CA 2.069 53.688 52.037 -0.696 0.000 0.636 357 A CB -1.137 16.841 19.000 -1.705 0.000 0.810 357 A HN 1.034 nan 8.150 nan 0.000 0.448 358 C N 0.084 119.269 119.300 -0.192 0.000 2.437 358 C HA 0.116 4.577 4.460 0.003 0.000 0.283 358 C C 1.548 176.599 174.990 0.103 0.000 1.424 358 C CA 0.385 59.508 59.018 0.174 0.000 1.782 358 C CB -1.251 26.829 27.740 0.566 0.000 1.833 358 C HN 0.606 nan 8.230 nan 0.000 0.532 359 R N 0.901 121.429 120.500 0.047 0.000 3.057 359 R HA 0.738 5.080 4.340 0.003 0.000 0.291 359 R C -0.483 175.833 176.300 0.026 0.000 1.394 359 R CA 0.264 56.406 56.100 0.070 0.000 1.630 359 R CB 0.186 30.537 30.300 0.083 0.000 1.268 359 R HN 0.444 nan 8.270 nan 0.000 0.621 360 A N 0.564 123.384 122.820 -0.001 0.000 2.609 360 A HA 0.376 4.698 4.320 0.003 0.000 0.291 360 A C 0.708 178.259 177.584 -0.054 0.000 1.096 360 A CA -0.442 51.589 52.037 -0.010 0.000 0.684 360 A CB 1.346 20.403 19.000 0.095 0.000 1.282 360 A HN 0.417 nan 8.150 nan 0.000 0.412 361 S N 0.311 115.847 115.700 -0.273 0.000 2.462 361 S HA -0.222 4.250 4.470 0.003 0.000 0.243 361 S C 1.032 175.506 174.600 -0.210 0.000 1.003 361 S CA 1.978 59.824 58.200 -0.590 0.000 0.970 361 S CB -0.604 61.588 63.200 -1.680 0.000 0.762 361 S HN 1.263 nan 8.310 nan 0.000 0.510 362 H N -0.846 118.069 119.070 -0.260 0.000 2.528 362 H HA 0.472 5.030 4.556 0.003 0.000 0.282 362 H C 1.535 176.772 175.328 -0.151 0.000 1.097 362 H CA -0.028 55.870 56.048 -0.251 0.000 1.121 362 H CB -0.887 28.666 29.762 -0.348 0.000 1.590 362 H HN 0.327 nan 8.280 nan 0.000 0.553 363 G N 1.721 110.345 108.800 -0.294 0.000 2.442 363 G HA2 -0.211 3.751 3.960 0.003 0.000 0.219 363 G HA3 -0.211 3.751 3.960 0.003 0.000 0.219 363 G C 1.631 176.452 174.900 -0.132 0.000 1.141 363 G CA 1.036 46.006 45.100 -0.217 0.000 0.763 363 G HN 0.415 nan 8.290 nan 0.000 0.554 364 I N 0.505 121.040 120.570 -0.059 0.000 2.179 364 I HA -0.105 4.067 4.170 0.003 0.000 0.242 364 I C 2.589 178.621 176.117 -0.142 0.000 1.088 364 I CA 1.026 62.298 61.300 -0.046 0.000 1.357 364 I CB -0.130 37.918 38.000 0.079 0.000 1.051 364 I HN 0.069 nan 8.210 nan 0.000 0.409 365 E N -0.176 119.973 120.200 -0.085 0.000 2.204 365 E HA -0.235 4.117 4.350 0.003 0.000 0.194 365 E C 1.644 178.176 176.600 -0.114 0.000 0.989 365 E CA 0.883 57.287 56.400 0.007 0.000 0.824 365 E CB -0.359 29.425 29.700 0.140 0.000 0.756 365 E HN 0.611 nan 8.360 nan 0.000 0.477 366 W N 1.859 122.909 121.300 -0.416 0.000 2.407 366 W HA -0.038 4.624 4.660 0.003 0.000 0.305 366 W C 2.368 178.487 176.519 -0.667 0.000 1.196 366 W CA 2.072 59.139 57.345 -0.464 0.000 1.311 366 W CB -0.507 28.626 29.460 -0.545 0.000 1.135 366 W HN 0.032 nan 8.180 nan 0.000 0.514 367 A N 1.041 123.271 122.820 -0.982 0.000 1.865 367 A HA -0.216 4.106 4.320 0.003 0.000 0.217 367 A C 2.093 178.836 177.584 -1.402 0.000 1.191 367 A CA 2.065 53.047 52.037 -1.757 0.000 0.623 367 A CB -0.946 17.047 19.000 -1.679 0.000 0.826 367 A HN 0.376 nan 8.150 nan 0.000 0.444 368 R N -1.000 118.895 120.500 -1.007 0.000 2.127 368 R HA -0.123 4.219 4.340 0.003 0.000 0.238 368 R C 2.316 177.876 176.300 -1.233 0.000 1.134 368 R CA 1.077 56.547 56.100 -1.049 0.000 0.975 368 R CB -0.595 29.170 30.300 -0.892 0.000 0.865 368 R HN 0.568 nan 8.270 nan 0.000 0.447 369 G N 0.694 108.854 108.800 -1.067 0.000 2.408 369 G HA2 -0.211 3.751 3.960 0.003 0.000 0.217 369 G HA3 -0.211 3.751 3.960 0.003 0.000 0.217 369 G C 1.411 175.883 174.900 -0.714 0.000 1.150 369 G CA 0.317 44.983 45.100 -0.723 0.000 0.776 369 G HN 0.068 nan 8.290 nan 0.000 0.542 370 M N 0.354 119.375 119.600 -0.965 0.000 2.175 370 M HA 0.135 4.617 4.480 0.003 0.000 0.264 370 M C 2.577 178.553 176.300 -0.539 0.000 1.063 370 M CA 0.801 55.637 55.300 -0.773 0.000 1.119 370 M CB -0.877 31.150 32.600 -0.955 0.000 1.377 370 M HN 0.236 nan 8.290 nan 0.000 0.415 371 I N 0.041 120.156 120.570 -0.758 0.000 2.315 371 I HA -0.217 3.955 4.170 0.003 0.000 0.248 371 I C 2.624 178.452 176.117 -0.481 0.000 1.117 371 I CA 0.988 61.843 61.300 -0.741 0.000 1.404 371 I CB -0.617 36.703 38.000 -1.133 0.000 1.071 371 I HN 0.187 nan 8.210 nan 0.000 0.419 372 A N 1.016 123.509 122.820 -0.545 0.000 1.858 372 A HA -0.189 4.133 4.320 0.003 0.000 0.216 372 A C 2.157 179.749 177.584 0.012 0.000 1.190 372 A CA 1.543 53.392 52.037 -0.313 0.000 0.617 372 A CB -0.782 18.025 19.000 -0.322 0.000 0.827 372 A HN 0.266 nan 8.150 nan 0.000 0.443 373 L N -0.344 120.860 121.223 -0.031 0.000 2.017 373 L HA -0.134 4.207 4.340 0.003 0.000 0.208 373 L C 2.993 179.972 176.870 0.181 0.000 1.073 373 L CA 2.057 56.959 54.840 0.103 0.000 0.745 373 L CB -1.081 40.915 42.059 -0.104 0.000 0.894 373 L HN 0.406 nan 8.230 nan 0.000 0.432 374 A N -1.875 121.019 122.820 0.124 0.000 1.969 374 A HA -0.164 4.158 4.320 0.003 0.000 0.218 374 A C 2.326 179.952 177.584 0.070 0.000 1.169 374 A CA 2.074 54.205 52.037 0.156 0.000 0.635 374 A CB -0.833 18.263 19.000 0.160 0.000 0.810 374 A HN 0.454 nan 8.150 nan 0.000 0.445 375 T N -0.002 114.603 114.554 0.085 0.000 2.732 375 T HA -0.096 4.256 4.350 0.003 0.000 0.261 375 T C 1.932 176.640 174.700 0.012 0.000 1.040 375 T CA 1.633 63.815 62.100 0.137 0.000 1.145 375 T CB -0.310 68.709 68.868 0.253 0.000 0.866 375 T HN 0.434 nan 8.240 nan 0.000 0.427 376 M N 0.954 120.618 119.600 0.107 0.000 2.260 376 M HA -0.096 4.386 4.480 0.003 0.000 0.261 376 M C 1.837 178.073 176.300 -0.106 0.000 1.066 376 M CA 1.231 56.578 55.300 0.077 0.000 1.082 376 M CB -0.222 32.505 32.600 0.211 0.000 1.388 376 M HN 0.064 nan 8.290 nan 0.000 0.419 377 Q N -0.186 119.488 119.800 -0.211 0.000 2.280 377 Q HA 0.178 4.520 4.340 0.003 0.000 0.202 377 Q C 0.812 176.576 176.000 -0.394 0.000 0.903 377 Q CA 0.500 56.118 55.803 -0.309 0.000 0.948 377 Q CB 0.313 28.933 28.738 -0.197 0.000 1.058 377 Q HN 0.669 nan 8.270 nan 0.000 0.493 378 G N 2.528 110.874 108.800 -0.756 0.000 2.272 378 G HA2 -0.298 3.663 3.960 0.003 0.000 0.280 378 G HA3 -0.298 3.663 3.960 0.003 0.000 0.280 378 G C 0.302 174.791 174.900 -0.684 0.000 1.067 378 G CA 0.459 44.734 45.100 -1.375 0.000 0.902 378 G HN 0.470 nan 8.290 nan 0.000 0.500 379 M N -1.326 118.059 119.600 -0.359 0.000 2.255 379 M HA 0.398 4.880 4.480 0.003 0.000 0.356 379 M C 1.494 177.864 176.300 0.117 0.000 1.338 379 M CA 1.537 56.830 55.300 -0.011 0.000 0.962 379 M CB 0.422 33.114 32.600 0.154 0.000 1.877 379 M HN 1.653 nan 8.290 nan 0.000 0.463 380 G N 2.382 111.230 108.800 0.081 0.000 2.307 380 G HA2 -0.223 3.739 3.960 0.003 0.000 0.210 380 G HA3 -0.223 3.739 3.960 0.003 0.000 0.210 380 G C -0.023 174.911 174.900 0.057 0.000 1.005 380 G CA 0.104 45.262 45.100 0.097 0.000 0.634 380 G HN 1.032 nan 8.290 nan 0.000 0.496 381 K N 1.279 121.691 120.400 0.019 0.000 2.185 381 K HA 0.588 4.910 4.320 0.003 0.000 0.271 381 K C -2.792 173.765 176.600 -0.072 0.000 1.013 381 K CA -1.713 54.562 56.287 -0.020 0.000 0.943 381 K CB 1.161 33.640 32.500 -0.035 0.000 0.998 381 K HN 0.027 nan 8.250 nan 0.000 0.468 382 P HA -0.102 nan 4.420 nan 0.000 0.259 382 P C 0.517 177.662 177.300 -0.258 0.000 1.163 382 P CA 1.624 64.592 63.100 -0.219 0.000 0.760 382 P CB 0.325 31.768 31.700 -0.427 0.000 0.762 383 G N 1.784 110.540 108.800 -0.073 0.000 2.179 383 G HA2 -0.219 3.743 3.960 0.003 0.000 0.260 383 G HA3 -0.219 3.743 3.960 0.003 0.000 0.260 383 G C 0.233 174.855 174.900 -0.463 0.000 0.977 383 G CA 0.221 45.283 45.100 -0.062 0.000 0.641 383 G HN 0.820 nan 8.290 nan 0.000 0.533 384 S N -0.201 115.202 115.700 -0.496 0.000 2.677 384 S HA 0.699 5.171 4.470 0.003 0.000 0.283 384 S C -0.800 173.595 174.600 -0.342 0.000 1.159 384 S CA 0.209 58.111 58.200 -0.497 0.000 1.001 384 S CB 1.523 64.573 63.200 -0.250 0.000 1.032 384 S HN 0.870 nan 8.310 nan 0.000 0.487 385 N N 2.530 121.056 118.700 -0.289 0.000 3.514 385 N HA 0.220 4.962 4.740 0.003 0.000 0.268 385 N C -1.973 173.669 175.510 0.220 0.000 1.391 385 N CA -0.498 52.585 53.050 0.055 0.000 0.821 385 N CB 1.092 39.691 38.487 0.187 0.000 1.563 385 N HN 0.687 nan 8.380 nan 0.000 0.426 386 M N 1.559 121.316 119.600 0.261 0.000 2.088 386 M HA 0.445 4.927 4.480 0.003 0.000 0.346 386 M C -1.711 174.782 176.300 0.321 0.000 1.111 386 M CA -0.507 54.946 55.300 0.255 0.000 1.017 386 M CB 0.613 33.336 32.600 0.205 0.000 1.568 386 M HN 0.511 nan 8.290 nan 0.000 0.445 387 W N 3.385 124.721 121.300 0.060 0.000 3.615 387 W HA 0.373 5.035 4.660 0.003 0.000 0.319 387 W C -1.193 175.249 176.519 -0.127 0.000 1.172 387 W CA -0.531 56.790 57.345 -0.041 0.000 1.240 387 W CB 1.496 30.931 29.460 -0.041 0.000 1.313 387 W HN 0.494 nan 8.180 nan 0.000 0.487 388 S N 2.580 117.996 115.700 -0.475 0.000 2.582 388 S HA 0.055 4.526 4.470 0.003 0.000 0.234 388 S C 1.392 175.527 174.600 -0.775 0.000 0.961 388 S CA 0.813 58.692 58.200 -0.535 0.000 0.953 388 S CB -0.057 63.004 63.200 -0.232 0.000 0.800 388 S HN 1.057 nan 8.310 nan 0.000 0.471 389 T N -1.353 112.186 114.554 -1.690 0.000 7.578 389 T HA -0.296 4.056 4.350 0.003 0.000 0.299 389 T C 1.167 175.567 174.700 -0.500 0.000 2.097 389 T CA 2.057 63.283 62.100 -1.456 0.000 3.248 389 T CB -2.667 65.674 68.868 -0.880 0.000 2.014 389 T HN 0.563 nan 8.240 nan 0.000 1.198 390 T N -1.986 112.356 114.554 -0.354 0.000 3.031 390 T HA 0.324 4.676 4.350 0.003 0.000 0.254 390 T C 0.925 175.590 174.700 -0.058 0.000 1.060 390 T CA 0.501 62.507 62.100 -0.156 0.000 1.135 390 T CB 0.172 68.949 68.868 -0.153 0.000 0.896 390 T HN 0.814 nan 8.240 nan 0.000 0.472 391 Q N -0.235 119.567 119.800 0.004 0.000 2.576 391 Q HA 0.572 4.914 4.340 0.003 0.000 0.249 391 Q C 0.700 176.837 176.000 0.229 0.000 1.041 391 Q CA -0.520 55.308 55.803 0.041 0.000 0.928 391 Q CB 1.542 30.224 28.738 -0.094 0.000 1.302 391 Q HN 0.379 nan 8.270 nan 0.000 0.504 392 G N -0.726 108.126 108.800 0.087 0.000 2.195 392 G HA2 -0.223 3.739 3.960 0.003 0.000 0.224 392 G HA3 -0.223 3.739 3.960 0.003 0.000 0.224 392 G C 0.068 174.978 174.900 0.017 0.000 0.990 392 G CA -0.046 45.089 45.100 0.059 0.000 0.639 392 G HN 0.366 nan 8.290 nan 0.000 0.514 393 V N 1.753 121.667 119.914 0.001 0.000 2.720 393 V HA 0.186 4.308 4.120 0.003 0.000 0.307 393 V C -0.773 175.149 176.094 -0.288 0.000 1.071 393 V CA 0.284 62.463 62.300 -0.201 0.000 1.199 393 V CB 0.979 32.741 31.823 -0.101 0.000 0.900 393 V HN 0.149 nan 8.190 nan 0.000 0.494 394 P HA 0.107 nan 4.420 nan 0.000 0.286 394 P C -0.032 176.975 177.300 -0.488 0.000 1.577 394 P CA 0.273 63.042 63.100 -0.551 0.000 0.805 394 P CB -0.174 31.163 31.700 -0.605 0.000 1.706 395 L N -0.383 120.608 121.223 -0.387 0.000 2.464 395 L HA 0.165 4.507 4.340 0.003 0.000 0.264 395 L C 1.111 177.811 176.870 -0.282 0.000 1.199 395 L CA -0.459 54.290 54.840 -0.151 0.000 0.818 395 L CB 0.204 42.372 42.059 0.182 0.000 1.102 395 L HN -0.084 nan 8.230 nan 0.000 0.473 396 D N 0.521 120.902 120.400 -0.032 0.000 2.398 396 D HA -0.011 4.631 4.640 0.003 0.000 0.250 396 D C 0.742 177.206 176.300 0.273 0.000 1.287 396 D CA 0.373 54.402 54.000 0.049 0.000 0.992 396 D CB 0.096 40.970 40.800 0.122 0.000 1.071 396 D HN 0.295 nan 8.370 nan 0.000 0.514 397 Y N 1.334 121.837 120.300 0.338 0.000 2.574 397 Y HA -0.082 4.470 4.550 0.003 0.000 0.294 397 Y C 1.995 178.111 175.900 0.360 0.000 1.142 397 Y CA 0.132 58.483 58.100 0.420 0.000 1.314 397 Y CB 0.323 38.976 38.460 0.322 0.000 0.991 397 Y HN 0.399 nan 8.280 nan 0.000 0.555 398 E N 0.174 120.625 120.200 0.418 0.000 2.170 398 E HA -0.109 4.243 4.350 0.003 0.000 0.191 398 E C 0.147 176.966 176.600 0.365 0.000 0.981 398 E CA -0.020 56.577 56.400 0.330 0.000 0.830 398 E CB 0.006 29.852 29.700 0.243 0.000 0.775 398 E HN 0.219 nan 8.360 nan 0.000 0.470 399 F N 1.387 121.492 119.950 0.258 0.000 2.538 399 F HA 0.057 4.586 4.527 0.003 0.000 0.371 399 F C -0.435 175.542 175.800 0.295 0.000 1.087 399 F CA -0.456 57.696 58.000 0.252 0.000 1.250 399 F CB 0.312 39.428 39.000 0.193 0.000 1.110 399 F HN -0.137 nan 8.300 nan 0.000 0.570 400 Y N 8.068 128.048 120.300 -0.534 0.000 2.331 400 Y HA 0.479 5.031 4.550 0.003 0.000 0.338 400 Y C -1.841 173.837 175.900 -0.370 0.000 0.976 400 Y CA -1.443 56.482 58.100 -0.292 0.000 1.137 400 Y CB 0.755 39.139 38.460 -0.126 0.000 1.172 400 Y HN 0.564 nan 8.280 nan 0.000 0.478 401 F N 8.851 128.192 119.950 -1.015 0.000 2.573 401 F HA 0.583 5.112 4.527 0.003 0.000 0.316 401 F C -2.758 172.585 175.800 -0.762 0.000 1.148 401 F CA -2.677 54.867 58.000 -0.760 0.000 0.940 401 F CB 1.753 40.639 39.000 -0.191 0.000 1.214 401 F HN 0.379 nan 8.300 nan 0.000 0.448 402 P HA 0.266 nan 4.420 nan 0.000 0.268 402 P C -0.223 176.862 177.300 -0.359 0.000 1.205 402 P CA -0.005 62.649 63.100 -0.743 0.000 0.771 402 P CB 0.814 31.818 31.700 -1.161 0.000 0.858 403 G N 1.119 109.795 108.800 -0.208 0.000 2.502 403 G HA2 0.283 4.245 3.960 0.003 0.000 0.305 403 G HA3 0.283 4.245 3.960 0.003 0.000 0.305 403 G C 0.193 174.877 174.900 -0.361 0.000 1.190 403 G CA -0.569 44.407 45.100 -0.207 0.000 0.933 403 G HN 0.567 nan 8.290 nan 0.000 0.503 404 Y N -1.494 118.554 120.300 -0.421 0.000 2.421 404 Y HA 0.155 4.707 4.550 0.003 0.000 0.292 404 Y C 2.303 177.838 175.900 -0.609 0.000 1.136 404 Y CA 0.841 58.588 58.100 -0.588 0.000 1.255 404 Y CB -0.539 37.251 38.460 -1.116 0.000 0.991 404 Y HN 0.327 nan 8.280 nan 0.000 0.552 405 A N 0.850 123.081 122.820 -0.981 0.000 2.239 405 A HA -0.015 4.307 4.320 0.003 0.000 0.209 405 A C 1.553 178.893 177.584 -0.408 0.000 1.171 405 A CA 0.635 52.130 52.037 -0.904 0.000 0.768 405 A CB -0.682 17.678 19.000 -1.066 0.000 0.790 405 A HN 0.640 nan 8.150 nan 0.000 0.478 406 E N -1.078 118.973 120.200 -0.248 0.000 2.403 406 E HA 0.291 4.643 4.350 0.003 0.000 0.188 406 E C 1.190 177.851 176.600 0.101 0.000 1.056 406 E CA 0.215 56.602 56.400 -0.023 0.000 0.892 406 E CB -0.062 29.636 29.700 -0.003 0.000 1.049 406 E HN 0.663 nan 8.360 nan 0.000 0.465 407 G N 0.639 109.510 108.800 0.119 0.000 2.241 407 G HA2 -0.376 3.586 3.960 0.003 0.000 0.244 407 G HA3 -0.376 3.586 3.960 0.003 0.000 0.244 407 G C 0.972 176.056 174.900 0.308 0.000 0.998 407 G CA -0.026 45.231 45.100 0.262 0.000 0.621 407 G HN 0.669 nan 8.290 nan 0.000 0.519 408 G N 0.862 109.831 108.800 0.281 0.000 2.704 408 G HA2 -0.310 3.652 3.960 0.003 0.000 0.344 408 G HA3 -0.310 3.652 3.960 0.003 0.000 0.344 408 G C 1.329 176.526 174.900 0.495 0.000 1.200 408 G CA 2.645 48.014 45.100 0.448 0.000 0.962 408 G HN 2.088 nan 8.290 nan 0.000 0.552 409 I N -0.330 120.372 120.570 0.219 0.000 3.914 409 I HA 0.507 4.679 4.170 0.003 0.000 0.333 409 I C 1.890 178.099 176.117 0.154 0.000 1.449 409 I CA 1.035 62.362 61.300 0.044 0.000 1.135 409 I CB 0.620 38.192 38.000 -0.714 0.000 1.073 409 I HN 0.430 nan 8.210 nan 0.000 0.401 410 S N 0.519 116.359 115.700 0.233 0.000 2.441 410 S HA 0.262 4.734 4.470 0.003 0.000 0.224 410 S C 1.883 176.532 174.600 0.082 0.000 1.043 410 S CA 0.680 58.980 58.200 0.165 0.000 0.948 410 S CB -0.317 63.011 63.200 0.214 0.000 0.810 410 S HN 0.754 nan 8.310 nan 0.000 0.504 411 G N 1.928 110.825 108.800 0.163 0.000 2.175 411 G HA2 -0.286 3.676 3.960 0.003 0.000 0.265 411 G HA3 -0.286 3.676 3.960 0.003 0.000 0.265 411 G C -0.108 174.702 174.900 -0.150 0.000 0.979 411 G CA 0.401 45.462 45.100 -0.064 0.000 0.663 411 G HN 0.662 nan 8.290 nan 0.000 0.533 412 D N 0.252 120.610 120.400 -0.070 0.000 2.359 412 D HA 0.199 4.841 4.640 0.003 0.000 0.273 412 D C 1.641 177.874 176.300 -0.111 0.000 1.362 412 D CA 0.255 54.173 54.000 -0.137 0.000 1.010 412 D CB -0.230 40.443 40.800 -0.212 0.000 1.090 412 D HN 0.232 nan 8.370 nan 0.000 0.521 413 C N 2.797 122.016 119.300 -0.135 0.000 2.432 413 C HA -0.089 4.373 4.460 0.003 0.000 0.280 413 C C 2.245 177.205 174.990 -0.049 0.000 1.353 413 C CA 0.429 59.391 59.018 -0.093 0.000 1.766 413 C CB -0.631 27.034 27.740 -0.126 0.000 1.924 413 C HN 0.734 nan 8.230 nan 0.000 0.509 414 E N 0.300 120.446 120.200 -0.091 0.000 2.442 414 E HA -0.013 4.339 4.350 0.003 0.000 0.195 414 E C 1.187 177.731 176.600 -0.094 0.000 1.030 414 E CA 0.556 56.910 56.400 -0.078 0.000 0.869 414 E CB 0.033 29.668 29.700 -0.108 0.000 0.857 414 E HN 0.590 nan 8.360 nan 0.000 0.505 415 N N 0.231 118.840 118.700 -0.152 0.000 2.170 415 N HA 0.056 4.798 4.740 0.003 0.000 0.222 415 N C -0.696 174.855 175.510 0.069 0.000 1.218 415 N CA 0.401 53.351 53.050 -0.167 0.000 0.889 415 N CB 1.501 39.614 38.487 -0.622 0.000 1.083 415 N HN 0.096 nan 8.380 nan 0.000 0.520 416 S N -1.352 114.415 115.700 0.111 0.000 2.671 416 S HA 0.632 5.104 4.470 0.003 0.000 0.277 416 S C -0.139 174.549 174.600 0.147 0.000 1.165 416 S CA -0.647 57.679 58.200 0.210 0.000 0.822 416 S CB 1.683 65.034 63.200 0.252 0.000 1.150 416 S HN -0.042 nan 8.310 nan 0.000 0.479 417 A N 0.059 122.950 122.820 0.119 0.000 2.359 417 A HA 0.658 4.980 4.320 0.003 0.000 0.240 417 A C 1.746 179.483 177.584 0.255 0.000 1.306 417 A CA 0.454 52.620 52.037 0.214 0.000 0.898 417 A CB -1.434 17.692 19.000 0.210 0.000 0.956 417 A HN 1.337 nan 8.150 nan 0.000 0.497 418 A N -0.083 122.837 122.820 0.167 0.000 1.902 418 A HA 0.074 4.396 4.320 0.003 0.000 0.217 418 A C 2.256 179.836 177.584 -0.007 0.000 1.181 418 A CA 1.689 53.805 52.037 0.132 0.000 0.623 418 A CB -1.056 17.996 19.000 0.086 0.000 0.818 418 A HN 0.795 nan 8.150 nan 0.000 0.443 419 G N -1.685 107.110 108.800 -0.007 0.000 2.501 419 G HA2 -0.191 3.771 3.960 0.003 0.000 0.220 419 G HA3 -0.191 3.771 3.960 0.003 0.000 0.220 419 G C 1.307 176.321 174.900 0.190 0.000 1.114 419 G CA 1.011 46.089 45.100 -0.037 0.000 0.757 419 G HN 0.479 nan 8.290 nan 0.000 0.559 420 F N 0.385 120.349 119.950 0.023 0.000 2.084 420 F HA 0.138 4.667 4.527 0.003 0.000 0.296 420 F C 2.279 178.060 175.800 -0.031 0.000 1.111 420 F CA 2.197 60.133 58.000 -0.107 0.000 1.224 420 F CB 0.213 38.914 39.000 -0.499 0.000 0.991 420 F HN 0.145 nan 8.300 nan 0.000 0.471 421 K N -2.928 117.506 120.400 0.057 0.000 3.019 421 K HA -0.028 4.294 4.320 0.003 0.000 0.192 421 K C 1.884 178.539 176.600 0.090 0.000 1.680 421 K CA 0.175 56.475 56.287 0.021 0.000 1.375 421 K CB -0.833 31.471 32.500 -0.328 0.000 1.968 421 K HN 0.089 nan 8.250 nan 0.000 0.624 422 F N 2.890 122.839 119.950 -0.002 0.000 2.043 422 F HA -0.189 4.340 4.527 0.003 0.000 0.297 422 F C 2.050 177.782 175.800 -0.112 0.000 1.121 422 F CA 2.372 60.363 58.000 -0.016 0.000 1.199 422 F CB -0.654 38.362 39.000 0.027 0.000 0.968 422 F HN 0.204 nan 8.300 nan 0.000 0.478 423 A N -0.311 122.359 122.820 -0.250 0.000 1.940 423 A HA -0.299 4.023 4.320 0.003 0.000 0.221 423 A C 2.137 179.472 177.584 -0.416 0.000 1.190 423 A CA 2.163 53.980 52.037 -0.368 0.000 0.647 423 A CB -1.907 16.726 19.000 -0.612 0.000 0.821 423 A HN 0.700 nan 8.150 nan 0.000 0.457 424 W N -0.778 120.444 121.300 -0.130 0.000 2.425 424 W HA -0.045 4.617 4.660 0.003 0.000 0.277 424 W C 2.558 178.945 176.519 -0.220 0.000 1.231 424 W CA 0.911 58.160 57.345 -0.161 0.000 1.248 424 W CB -0.107 29.236 29.460 -0.194 0.000 1.117 424 W HN 0.247 nan 8.180 nan 0.000 0.568 425 R N -0.731 119.669 120.500 -0.166 0.000 2.105 425 R HA 0.039 4.381 4.340 0.003 0.000 0.214 425 R C 2.057 178.093 176.300 -0.439 0.000 1.091 425 R CA 1.036 56.978 56.100 -0.264 0.000 1.007 425 R CB -0.626 29.520 30.300 -0.257 0.000 0.912 425 R HN 0.136 nan 8.270 nan 0.000 0.450 426 M N 0.221 119.356 119.600 -0.775 0.000 2.175 426 M HA 0.011 4.493 4.480 0.003 0.000 0.264 426 M C -0.351 175.422 176.300 -0.879 0.000 1.063 426 M CA 1.636 56.353 55.300 -0.971 0.000 1.119 426 M CB 0.287 32.005 32.600 -1.471 0.000 1.377 426 M HN -0.161 nan 8.290 nan 0.000 0.415 427 F N 0.013 119.778 119.950 -0.308 0.000 2.507 427 F HA 0.330 4.859 4.527 0.003 0.000 0.327 427 F C 0.516 176.185 175.800 -0.219 0.000 1.068 427 F CA -0.982 56.873 58.000 -0.243 0.000 0.965 427 F CB 1.080 39.943 39.000 -0.230 0.000 1.192 427 F HN 0.139 nan 8.300 nan 0.000 0.476 428 D N -0.991 119.359 120.400 -0.084 0.000 2.527 428 D HA 0.176 4.818 4.640 0.003 0.000 0.224 428 D C 1.343 177.534 176.300 -0.181 0.000 1.217 428 D CA 0.107 54.034 54.000 -0.120 0.000 0.819 428 D CB 0.195 40.911 40.800 -0.141 0.000 1.061 428 D HN 0.783 nan 8.370 nan 0.000 0.515 429 G N 0.882 109.498 108.800 -0.306 0.000 2.269 429 G HA2 -0.402 3.560 3.960 0.003 0.000 0.277 429 G HA3 -0.402 3.560 3.960 0.003 0.000 0.277 429 G C 0.833 175.526 174.900 -0.346 0.000 1.008 429 G CA 1.296 46.179 45.100 -0.361 0.000 0.774 429 G HN 0.495 nan 8.290 nan 0.000 0.511 430 K N -2.325 117.797 120.400 -0.463 0.000 2.625 430 K HA 0.142 4.464 4.320 0.003 0.000 0.202 430 K C 2.229 178.758 176.600 -0.118 0.000 1.412 430 K CA 0.912 57.095 56.287 -0.174 0.000 0.989 430 K CB 0.319 32.761 32.500 -0.097 0.000 1.682 430 K HN 0.362 nan 8.250 nan 0.000 0.496 431 T N -1.892 112.536 114.554 -0.209 0.000 3.040 431 T HA 0.119 4.471 4.350 0.003 0.000 0.266 431 T C 0.228 174.908 174.700 -0.034 0.000 1.005 431 T CA -0.131 61.942 62.100 -0.044 0.000 0.906 431 T CB 0.793 69.627 68.868 -0.058 0.000 1.082 431 T HN 0.025 nan 8.240 nan 0.000 0.531 432 T N 1.164 115.567 114.554 -0.252 0.000 3.237 432 T HA 0.608 4.960 4.350 0.003 0.000 0.319 432 T C -2.039 172.680 174.700 0.031 0.000 1.037 432 T CA -0.655 61.463 62.100 0.029 0.000 1.048 432 T CB 0.442 69.290 68.868 -0.034 0.000 1.081 432 T HN 0.122 nan 8.240 nan 0.000 0.455 433 F N 4.399 124.562 119.950 0.355 0.000 2.538 433 F HA 0.701 5.230 4.527 0.003 0.000 0.325 433 F C -2.066 173.685 175.800 -0.081 0.000 1.066 433 F CA -2.443 55.657 58.000 0.166 0.000 0.946 433 F CB 0.987 40.014 39.000 0.046 0.000 1.199 433 F HN 0.335 nan 8.300 nan 0.000 0.473 434 P HA 0.182 nan 4.420 nan 0.000 0.277 434 P C -0.930 176.251 177.300 -0.198 0.000 1.276 434 P CA -0.524 62.131 63.100 -0.741 0.000 0.788 434 P CB 0.734 31.927 31.700 -0.845 0.000 1.114 435 S N 0.275 115.880 115.700 -0.158 0.000 2.539 435 S HA 0.509 4.981 4.470 0.003 0.000 0.235 435 S C -2.754 171.786 174.600 -0.100 0.000 1.326 435 S CA -1.609 56.553 58.200 -0.063 0.000 1.183 435 S CB -0.397 62.810 63.200 0.012 0.000 1.073 435 S HN 0.123 nan 8.310 nan 0.000 0.480 436 P HA 0.410 nan 4.420 nan 0.000 0.278 436 P C -1.079 176.158 177.300 -0.106 0.000 1.258 436 P CA -0.586 62.441 63.100 -0.123 0.000 0.811 436 P CB 1.127 32.761 31.700 -0.111 0.000 1.063 437 S N 0.904 116.526 115.700 -0.130 0.000 2.519 437 S HA 0.293 4.765 4.470 0.003 0.000 0.309 437 S C 0.588 175.119 174.600 -0.115 0.000 1.100 437 S CA -0.687 57.440 58.200 -0.122 0.000 1.059 437 S CB -0.006 63.090 63.200 -0.175 0.000 1.008 437 S HN 0.478 nan 8.310 nan 0.000 0.478 438 N N 5.395 124.049 118.700 -0.077 0.000 2.270 438 N HA 0.114 4.856 4.740 0.003 0.000 0.198 438 N C 0.733 176.218 175.510 -0.042 0.000 1.117 438 N CA 0.025 53.048 53.050 -0.045 0.000 0.845 438 N CB 0.026 38.510 38.487 -0.005 0.000 0.980 438 N HN 0.577 nan 8.380 nan 0.000 0.486 439 L N -0.739 120.410 121.223 -0.124 0.000 2.624 439 L HA 0.207 4.548 4.340 0.003 0.000 0.222 439 L C 0.519 177.221 176.870 -0.280 0.000 1.046 439 L CA -0.012 54.711 54.840 -0.194 0.000 0.872 439 L CB -0.129 41.795 42.059 -0.224 0.000 1.190 439 L HN -0.027 nan 8.230 nan 0.000 0.487 440 N N 1.338 119.826 118.700 -0.352 0.000 3.178 440 N HA 0.059 4.801 4.740 0.003 0.000 0.300 440 N C -0.587 174.780 175.510 -0.240 0.000 1.242 440 N CA 0.382 53.225 53.050 -0.344 0.000 1.192 440 N CB 0.003 38.187 38.487 -0.505 0.000 1.463 440 N HN 0.072 nan 8.380 nan 0.000 0.539 441 T N -1.189 113.264 114.554 -0.169 0.000 2.821 441 T HA 0.249 4.601 4.350 0.003 0.000 0.306 441 T C 0.879 175.547 174.700 -0.052 0.000 1.313 441 T CA -0.498 61.527 62.100 -0.124 0.000 1.012 441 T CB 0.758 69.569 68.868 -0.095 0.000 1.298 441 T HN 0.102 nan 8.240 nan 0.000 0.502 442 S N 1.244 116.928 115.700 -0.026 0.000 2.402 442 S HA -0.085 4.387 4.470 0.003 0.000 0.233 442 S C 1.990 176.686 174.600 0.160 0.000 1.030 442 S CA 1.558 59.836 58.200 0.131 0.000 1.003 442 S CB -0.408 62.791 63.200 -0.002 0.000 0.813 442 S HN 0.829 nan 8.310 nan 0.000 0.477 443 A N 0.674 123.536 122.820 0.071 0.000 2.251 443 A HA 0.512 4.834 4.320 0.003 0.000 0.209 443 A C 1.398 179.081 177.584 0.165 0.000 1.187 443 A CA 0.637 52.735 52.037 0.102 0.000 0.823 443 A CB -0.347 18.691 19.000 0.063 0.000 0.846 443 A HN 0.476 nan 8.150 nan 0.000 0.486 444 G N -0.825 108.027 108.800 0.087 0.000 3.329 444 G HA2 0.459 4.421 3.960 0.003 0.000 0.180 444 G HA3 0.459 4.421 3.960 0.003 0.000 0.180 444 G C -0.187 174.545 174.900 -0.280 0.000 1.640 444 G CA 0.007 45.064 45.100 -0.071 0.000 1.018 444 G HN 0.411 nan 8.290 nan 0.000 0.581 445 Q N -0.471 119.062 119.800 -0.445 0.000 2.309 445 Q HA 0.445 4.787 4.340 0.003 0.000 0.273 445 Q C -1.727 174.279 176.000 0.009 0.000 1.040 445 Q CA -0.914 54.758 55.803 -0.218 0.000 0.834 445 Q CB 1.866 30.329 28.738 -0.457 0.000 1.345 445 Q HN 0.908 nan 8.270 nan 0.000 0.414 446 H N 3.268 122.377 119.070 0.066 0.000 3.042 446 H HA 0.593 5.151 4.556 0.004 0.000 0.346 446 H C -1.493 173.943 175.328 0.179 0.000 1.294 446 H CA -0.766 55.319 56.048 0.062 0.000 1.141 446 H CB 1.093 30.875 29.762 0.034 0.000 1.872 446 H HN 0.759 nan 8.280 nan 0.000 0.541 447 I N -1.269 119.126 120.570 -0.292 0.000 2.957 447 I HA 0.662 4.834 4.170 0.003 0.000 0.310 447 I C -3.119 172.635 176.117 -0.606 0.000 1.063 447 I CA -2.909 58.020 61.300 -0.618 0.000 1.033 447 I CB 2.788 40.393 38.000 -0.660 0.000 1.230 447 I HN 0.190 nan 8.210 nan 0.000 0.447 448 P HA 0.289 nan 4.420 nan 0.000 0.280 448 P C -0.070 177.014 177.300 -0.360 0.000 1.244 448 P CA -0.469 62.312 63.100 -0.532 0.000 0.784 448 P CB 1.198 32.492 31.700 -0.676 0.000 0.913 449 R N 3.071 123.469 120.500 -0.170 0.000 2.096 449 R HA -0.082 4.260 4.340 0.003 0.000 0.235 449 R C 1.494 177.714 176.300 -0.133 0.000 1.127 449 R CA 1.461 57.487 56.100 -0.123 0.000 0.968 449 R CB -0.651 29.625 30.300 -0.040 0.000 0.861 449 R HN 0.438 nan 8.270 nan 0.000 0.440 450 L N 0.355 121.510 121.223 -0.114 0.000 2.456 450 L HA -0.056 4.286 4.340 0.003 0.000 0.224 450 L C 1.086 177.785 176.870 -0.285 0.000 1.148 450 L CA 0.860 55.641 54.840 -0.097 0.000 0.825 450 L CB 0.039 42.096 42.059 -0.003 0.000 0.937 450 L HN 0.042 nan 8.230 nan 0.000 0.450 451 K N -0.477 119.644 120.400 -0.466 0.000 2.592 451 K HA 0.310 4.632 4.320 0.003 0.000 0.203 451 K C 1.337 177.488 176.600 -0.749 0.000 1.070 451 K CA -0.033 55.801 56.287 -0.755 0.000 1.062 451 K CB 0.729 32.495 32.500 -1.224 0.000 0.814 451 K HN 0.183 nan 8.250 nan 0.000 0.502 452 I N 1.701 121.901 120.570 -0.616 0.000 2.208 452 I HA -0.215 3.957 4.170 0.003 0.000 0.245 452 I C -0.856 174.866 176.117 -0.658 0.000 1.097 452 I CA 1.440 62.376 61.300 -0.608 0.000 1.363 452 I CB -1.027 36.709 38.000 -0.440 0.000 1.051 452 I HN 0.042 nan 8.210 nan 0.000 0.413 453 P HA -0.173 nan 4.420 nan 0.000 0.215 453 P C 1.252 178.245 177.300 -0.511 0.000 1.157 453 P CA 1.427 64.124 63.100 -0.671 0.000 0.868 453 P CB 0.030 31.255 31.700 -0.793 0.000 0.788 454 E N -1.325 118.561 120.200 -0.523 0.000 2.150 454 E HA -0.121 4.231 4.350 0.003 0.000 0.193 454 E C 2.096 178.501 176.600 -0.325 0.000 0.985 454 E CA 0.866 57.028 56.400 -0.397 0.000 0.814 454 E CB -1.449 27.977 29.700 -0.456 0.000 0.752 454 E HN 0.227 nan 8.360 nan 0.000 0.466 455 C N 0.072 119.109 119.300 -0.439 0.000 2.446 455 C HA -0.013 4.449 4.460 0.003 0.000 0.277 455 C C 2.508 177.347 174.990 -0.252 0.000 1.275 455 C CA 0.290 59.094 59.018 -0.355 0.000 1.727 455 C CB -0.755 26.535 27.740 -0.751 0.000 2.010 455 C HN 0.385 nan 8.230 nan 0.000 0.486 456 I N 0.295 120.639 120.570 -0.376 0.000 2.193 456 I HA -0.218 3.954 4.170 0.003 0.000 0.240 456 I C 2.501 178.299 176.117 -0.533 0.000 1.084 456 I CA 1.668 62.749 61.300 -0.365 0.000 1.365 456 I CB -0.353 37.418 38.000 -0.383 0.000 1.064 456 I HN 0.315 nan 8.210 nan 0.000 0.410 457 M N -0.142 119.145 119.600 -0.521 0.000 2.288 457 M HA -0.009 4.473 4.480 0.003 0.000 0.266 457 M C 2.135 178.252 176.300 -0.305 0.000 1.072 457 M CA 1.585 56.533 55.300 -0.586 0.000 1.132 457 M CB -0.490 31.949 32.600 -0.268 0.000 1.386 457 M HN 0.314 nan 8.290 nan 0.000 0.432 458 G N -0.856 107.833 108.800 -0.184 0.000 2.595 458 G HA2 0.246 4.208 3.960 0.003 0.000 0.213 458 G HA3 0.246 4.208 3.960 0.003 0.000 0.213 458 G C 1.190 176.096 174.900 0.010 0.000 1.141 458 G CA 0.557 45.627 45.100 -0.050 0.000 0.806 458 G HN 0.576 nan 8.290 nan 0.000 0.530 459 G N -0.615 108.201 108.800 0.025 0.000 2.155 459 G HA2 -0.269 3.693 3.960 0.003 0.000 0.257 459 G HA3 -0.269 3.693 3.960 0.003 0.000 0.257 459 G C 0.123 175.130 174.900 0.179 0.000 0.983 459 G CA 1.003 46.175 45.100 0.119 0.000 0.676 459 G HN 0.841 nan 8.290 nan 0.000 0.528 460 K N -1.602 118.961 120.400 0.272 0.000 2.598 460 K HA 0.650 4.972 4.320 0.003 0.000 0.271 460 K C -1.989 174.887 176.600 0.461 0.000 0.947 460 K CA -0.946 55.533 56.287 0.319 0.000 0.854 460 K CB 1.289 33.882 32.500 0.154 0.000 1.401 460 K HN 0.469 nan 8.250 nan 0.000 0.415 461 F N 1.327 121.473 119.950 0.326 0.000 2.744 461 F HA 0.388 4.917 4.527 0.003 0.000 0.311 461 F C -1.903 174.183 175.800 0.477 0.000 1.144 461 F CA -0.432 57.764 58.000 0.327 0.000 0.938 461 F CB 1.922 41.068 39.000 0.243 0.000 1.292 461 F HN 0.422 nan 8.300 nan 0.000 0.444 462 Q N 2.956 122.590 119.800 -0.277 0.000 2.359 462 Q HA 0.547 4.889 4.340 0.003 0.000 0.274 462 Q C -1.867 174.094 176.000 -0.064 0.000 1.074 462 Q CA -0.406 55.355 55.803 -0.071 0.000 0.810 462 Q CB 3.070 31.745 28.738 -0.105 0.000 1.342 462 Q HN 0.816 nan 8.270 nan 0.000 0.427 463 W N 0.587 121.879 121.300 -0.013 0.000 2.803 463 W HA 0.703 5.365 4.660 0.003 0.000 0.424 463 W C -1.654 175.042 176.519 0.294 0.000 1.092 463 W CA -0.695 56.725 57.345 0.126 0.000 1.184 463 W CB 0.390 30.029 29.460 0.299 0.000 1.470 463 W HN 0.341 nan 8.180 nan 0.000 0.598 464 S N 1.107 117.136 115.700 0.549 0.000 2.482 464 S HA 0.733 5.205 4.470 0.003 0.000 0.303 464 S C 0.016 175.079 174.600 0.770 0.000 1.091 464 S CA 0.151 58.655 58.200 0.507 0.000 1.057 464 S CB 0.920 64.377 63.200 0.429 0.000 1.031 464 S HN 1.670 nan 8.310 nan 0.000 0.485 465 G N 2.116 111.371 108.800 0.759 0.000 2.785 465 G HA2 -0.165 3.797 3.960 0.003 0.000 0.685 465 G HA3 -0.165 3.797 3.960 0.003 0.000 0.685 465 G C -0.778 174.401 174.900 0.465 0.000 1.480 465 G CA -0.617 44.890 45.100 0.677 0.000 0.915 465 G HN 0.742 nan 8.290 nan 0.000 0.576 466 K N 1.507 121.998 120.400 0.152 0.000 2.464 466 K HA 0.566 4.888 4.320 0.003 0.000 0.252 466 K C 1.384 178.006 176.600 0.036 0.000 1.000 466 K CA 0.562 56.779 56.287 -0.117 0.000 0.951 466 K CB 0.321 32.412 32.500 -0.682 0.000 1.183 466 K HN 2.386 nan 8.250 nan 0.000 0.445 467 G N 3.490 112.403 108.800 0.188 0.000 2.660 467 G HA2 -0.338 3.624 3.960 0.003 0.000 0.321 467 G HA3 -0.338 3.624 3.960 0.003 0.000 0.321 467 G C -0.479 174.636 174.900 0.360 0.000 1.246 467 G CA 0.174 45.413 45.100 0.231 0.000 1.000 467 G HN 0.534 nan 8.290 nan 0.000 0.550 468 F N 2.755 122.717 119.950 0.020 0.000 2.423 468 F HA 0.603 5.132 4.527 0.003 0.000 0.356 468 F C 1.199 177.030 175.800 0.052 0.000 1.170 468 F CA -0.942 57.041 58.000 -0.029 0.000 1.163 468 F CB 0.531 39.514 39.000 -0.029 0.000 1.318 468 F HN 0.703 nan 8.300 nan 0.000 0.569 469 A N 2.513 125.505 122.820 0.285 0.000 3.091 469 A HA 0.485 4.807 4.320 0.003 0.000 0.264 469 A C 1.512 179.124 177.584 0.045 0.000 1.673 469 A CA 0.165 52.307 52.037 0.175 0.000 1.362 469 A CB -0.891 18.181 19.000 0.120 0.000 1.137 469 A HN 0.812 nan 8.150 nan 0.000 0.617 470 G N -0.027 108.829 108.800 0.093 0.000 3.042 470 G HA2 0.261 4.223 3.960 0.003 0.000 0.212 470 G HA3 0.261 4.223 3.960 0.003 0.000 0.212 470 G C 1.107 176.049 174.900 0.069 0.000 1.166 470 G CA 0.750 45.860 45.100 0.017 0.000 0.767 470 G HN 0.688 nan 8.290 nan 0.000 0.546 471 G N 0.055 108.946 108.800 0.152 0.000 2.480 471 G HA2 0.040 4.002 3.960 0.003 0.000 0.216 471 G HA3 0.040 4.002 3.960 0.003 0.000 0.216 471 G C 0.330 175.058 174.900 -0.286 0.000 1.200 471 G CA 1.177 46.341 45.100 0.105 0.000 0.782 471 G HN 0.458 nan 8.290 nan 0.000 0.554 472 D N -2.938 116.978 120.400 -0.806 0.000 2.583 472 D HA 0.335 4.977 4.640 0.003 0.000 0.248 472 D C 1.457 177.521 176.300 -0.393 0.000 1.209 472 D CA -0.771 52.897 54.000 -0.552 0.000 0.848 472 D CB 0.892 41.327 40.800 -0.608 0.000 1.431 472 D HN -0.046 nan 8.370 nan 0.000 0.436 473 I N 0.220 120.650 120.570 -0.232 0.000 2.248 473 I HA -0.241 3.931 4.170 0.003 0.000 0.248 473 I C 1.493 177.538 176.117 -0.121 0.000 1.107 473 I CA 1.134 62.306 61.300 -0.213 0.000 1.373 473 I CB -0.229 37.701 38.000 -0.117 0.000 1.055 473 I HN 0.193 nan 8.210 nan 0.000 0.418 474 S N -1.330 114.347 115.700 -0.039 0.000 2.593 474 S HA 0.020 4.492 4.470 0.003 0.000 0.217 474 S C 1.483 176.165 174.600 0.137 0.000 0.966 474 S CA -0.080 58.151 58.200 0.053 0.000 0.914 474 S CB -0.436 62.804 63.200 0.067 0.000 0.776 474 S HN 0.501 nan 8.310 nan 0.000 0.523 475 H N 2.127 121.201 119.070 0.007 0.000 2.387 475 H HA -0.128 4.430 4.556 0.003 0.000 0.299 475 H C 2.379 177.770 175.328 0.105 0.000 1.090 475 H CA 1.361 57.440 56.048 0.052 0.000 1.332 475 H CB 0.069 29.850 29.762 0.031 0.000 1.386 475 H HN 0.591 nan 8.280 nan 0.000 0.516 476 Q N 0.963 120.863 119.800 0.166 0.000 2.437 476 Q HA -0.079 4.263 4.340 0.003 0.000 0.210 476 Q C 1.574 177.728 176.000 0.256 0.000 0.972 476 Q CA 0.872 56.789 55.803 0.190 0.000 0.903 476 Q CB -0.107 28.624 28.738 -0.012 0.000 0.967 476 Q HN 0.507 nan 8.270 nan 0.000 0.486 477 L N 0.204 121.470 121.223 0.072 0.000 2.558 477 L HA 0.119 4.461 4.340 0.003 0.000 0.225 477 L C 1.301 178.128 176.870 -0.071 0.000 1.128 477 L CA -0.265 54.461 54.840 -0.190 0.000 0.868 477 L CB -0.400 41.349 42.059 -0.517 0.000 1.006 477 L HN 0.345 nan 8.230 nan 0.000 0.454 478 H N 2.094 121.169 119.070 0.008 0.000 2.815 478 H HA 0.077 4.635 4.556 0.003 0.000 0.350 478 H C -0.255 174.991 175.328 -0.136 0.000 1.080 478 H CA 0.218 56.214 56.048 -0.086 0.000 1.433 478 H CB 0.857 30.565 29.762 -0.089 0.000 1.432 478 H HN 0.068 nan 8.280 nan 0.000 0.592 479 Q N 4.634 124.090 119.800 -0.573 0.000 2.256 479 Q HA 0.202 4.544 4.340 0.003 0.000 0.254 479 Q C -0.943 174.712 176.000 -0.575 0.000 0.916 479 Q CA -0.267 55.308 55.803 -0.380 0.000 0.932 479 Q CB 0.983 29.554 28.738 -0.277 0.000 1.207 479 Q HN 0.482 nan 8.270 nan 0.000 0.426 480 Y N 0.135 120.171 120.300 -0.440 0.000 2.536 480 Y HA 0.382 4.934 4.550 0.003 0.000 0.347 480 Y C 0.312 175.653 175.900 -0.932 0.000 1.000 480 Y CA -0.984 56.692 58.100 -0.706 0.000 1.051 480 Y CB 1.912 39.763 38.460 -1.015 0.000 1.259 480 Y HN 0.496 nan 8.280 nan 0.000 0.468 481 E N 0.967 120.912 120.200 -0.425 0.000 2.367 481 E HA 0.487 4.839 4.350 0.003 0.000 0.273 481 E C -2.188 174.503 176.600 0.153 0.000 0.903 481 E CA -1.118 55.198 56.400 -0.141 0.000 0.764 481 E CB 2.978 32.656 29.700 -0.037 0.000 1.252 481 E HN 0.592 nan 8.360 nan 0.000 0.446 482 Y N 2.364 122.834 120.300 0.283 0.000 2.391 482 Y HA 0.424 4.976 4.550 0.003 0.000 0.341 482 Y C -2.743 173.277 175.900 0.199 0.000 0.965 482 Y CA -2.378 55.910 58.100 0.314 0.000 1.067 482 Y CB 2.091 40.821 38.460 0.450 0.000 1.199 482 Y HN 0.425 nan 8.280 nan 0.000 0.450 483 P HA 0.252 nan 4.420 nan 0.000 0.274 483 P C -0.834 176.458 177.300 -0.014 0.000 1.231 483 P CA -0.209 62.565 63.100 -0.543 0.000 0.790 483 P CB 1.194 32.583 31.700 -0.519 0.000 0.951 484 A N 3.982 126.901 122.820 0.165 0.000 2.483 484 A HA 0.307 4.629 4.320 0.003 0.000 0.238 484 A C -2.020 175.712 177.584 0.246 0.000 1.070 484 A CA -1.156 51.023 52.037 0.236 0.000 0.770 484 A CB -1.597 17.576 19.000 0.288 0.000 1.008 484 A HN 0.414 nan 8.150 nan 0.000 0.497 485 P HA 0.149 nan 4.420 nan 0.000 0.258 485 P C 1.129 178.460 177.300 0.051 0.000 1.172 485 P CA 2.147 65.304 63.100 0.094 0.000 0.762 485 P CB 0.356 32.096 31.700 0.067 0.000 0.764 486 G N 1.657 110.444 108.800 -0.021 0.000 2.304 486 G HA2 -0.306 3.656 3.960 0.003 0.000 0.252 486 G HA3 -0.306 3.656 3.960 0.003 0.000 0.252 486 G C 0.148 174.933 174.900 -0.191 0.000 1.014 486 G CA -0.244 44.772 45.100 -0.139 0.000 0.619 486 G HN 0.448 nan 8.290 nan 0.000 0.525 487 Y N 1.063 121.383 120.300 0.033 0.000 2.282 487 Y HA 0.607 5.159 4.550 0.003 0.000 0.335 487 Y C 1.191 177.109 175.900 0.030 0.000 1.335 487 Y CA 0.445 58.574 58.100 0.048 0.000 1.529 487 Y CB 0.945 39.447 38.460 0.070 0.000 1.429 487 Y HN 0.223 nan 8.280 nan 0.000 0.563 488 S N -0.097 115.756 115.700 0.255 0.000 2.638 488 S HA 0.423 4.895 4.470 0.003 0.000 0.298 488 S C -0.741 173.909 174.600 0.084 0.000 1.111 488 S CA -0.962 57.320 58.200 0.136 0.000 1.027 488 S CB 0.624 63.933 63.200 0.181 0.000 1.064 488 S HN 0.512 nan 8.310 nan 0.000 0.525 489 K N 1.778 122.172 120.400 -0.011 0.000 2.180 489 K HA 0.305 4.627 4.320 0.003 0.000 0.251 489 K C -0.082 176.577 176.600 0.099 0.000 1.014 489 K CA -0.593 55.706 56.287 0.020 0.000 0.913 489 K CB 0.260 32.737 32.500 -0.040 0.000 1.008 489 K HN 0.491 nan 8.250 nan 0.000 0.490 490 I N 2.824 123.511 120.570 0.195 0.000 2.648 490 I HA -0.069 4.103 4.170 0.003 0.000 0.284 490 I C 1.182 177.332 176.117 0.056 0.000 1.153 490 I CA 0.693 62.055 61.300 0.104 0.000 1.426 490 I CB 0.483 38.490 38.000 0.012 0.000 1.381 490 I HN 0.623 nan 8.210 nan 0.000 0.571 491 K N 4.788 125.243 120.400 0.091 0.000 2.462 491 K HA 0.308 4.630 4.320 0.003 0.000 0.201 491 K C 0.246 176.977 176.600 0.219 0.000 1.268 491 K CA 0.372 56.726 56.287 0.112 0.000 0.933 491 K CB 0.968 33.524 32.500 0.093 0.000 1.162 491 K HN 0.576 nan 8.250 nan 0.000 0.527 492 M N -0.051 119.703 119.600 0.256 0.000 2.591 492 M HA 0.448 4.930 4.480 0.003 0.000 0.306 492 M C -1.758 174.759 176.300 0.362 0.000 1.190 492 M CA -0.774 54.727 55.300 0.334 0.000 0.889 492 M CB 2.362 35.204 32.600 0.402 0.000 1.728 492 M HN -0.008 nan 8.290 nan 0.000 0.458 493 F N 4.560 124.590 119.950 0.133 0.000 2.659 493 F HA 0.364 4.893 4.527 0.003 0.000 0.342 493 F C -1.926 173.976 175.800 0.169 0.000 1.168 493 F CA -0.715 57.373 58.000 0.147 0.000 1.003 493 F CB 1.075 40.127 39.000 0.086 0.000 1.267 493 F HN 0.693 nan 8.300 nan 0.000 0.463 494 W N 8.990 130.499 121.300 0.350 0.000 2.317 494 W HA 0.373 5.035 4.660 0.003 0.000 0.327 494 W C -1.189 175.357 176.519 0.046 0.000 1.036 494 W CA -0.934 56.475 57.345 0.108 0.000 1.419 494 W CB 1.042 30.608 29.460 0.176 0.000 1.253 494 W HN 0.509 nan 8.180 nan 0.000 0.392 495 K N 4.344 124.810 120.400 0.109 0.000 2.110 495 K HA 0.178 4.500 4.320 0.003 0.000 0.263 495 K C -1.436 175.330 176.600 0.277 0.000 0.975 495 K CA -0.829 55.451 56.287 -0.011 0.000 0.895 495 K CB 2.046 34.301 32.500 -0.408 0.000 1.060 495 K HN 0.326 nan 8.250 nan 0.000 0.448 496 Y N 1.407 121.759 120.300 0.087 0.000 2.464 496 Y HA 0.350 4.902 4.550 0.003 0.000 0.326 496 Y C 0.084 175.957 175.900 -0.044 0.000 0.969 496 Y CA 0.387 58.535 58.100 0.080 0.000 1.270 496 Y CB 0.855 39.345 38.460 0.049 0.000 1.103 496 Y HN 0.904 nan 8.280 nan 0.000 0.491 497 G N 2.762 111.512 108.800 -0.083 0.000 2.756 497 G HA2 0.230 4.192 3.960 0.003 0.000 0.678 497 G HA3 0.230 4.192 3.960 0.003 0.000 0.678 497 G C -0.176 174.625 174.900 -0.164 0.000 1.349 497 G CA -0.385 44.649 45.100 -0.110 0.000 0.847 497 G HN 1.466 nan 8.290 nan 0.000 0.548 498 G N -0.800 107.886 108.800 -0.190 0.000 4.379 498 G HA2 0.716 4.678 3.960 0.003 0.000 0.243 498 G HA3 0.716 4.678 3.960 0.003 0.000 0.243 498 G C -1.500 173.266 174.900 -0.223 0.000 1.009 498 G CA 0.551 45.507 45.100 -0.241 0.000 0.646 498 G HN 0.787 nan 8.290 nan 0.000 0.475 499 P HA 0.128 nan 4.420 nan 0.000 0.282 499 P C 0.606 177.822 177.300 -0.140 0.000 1.327 499 P CA 0.041 63.036 63.100 -0.175 0.000 0.949 499 P CB 0.232 31.853 31.700 -0.132 0.000 1.445 500 H N 0.040 118.953 119.070 -0.261 0.000 2.518 500 H HA 0.003 4.560 4.556 0.003 0.000 0.292 500 H C 1.780 176.795 175.328 -0.522 0.000 1.068 500 H CA 0.398 56.173 56.048 -0.455 0.000 1.275 500 H CB -0.221 29.198 29.762 -0.571 0.000 1.375 500 H HN 0.114 nan 8.280 nan 0.000 0.563 501 L N -0.586 120.482 121.223 -0.258 0.000 2.217 501 L HA -0.047 4.295 4.340 0.003 0.000 0.211 501 L C 2.463 179.169 176.870 -0.274 0.000 1.107 501 L CA 1.049 55.693 54.840 -0.326 0.000 0.783 501 L CB 0.067 41.862 42.059 -0.438 0.000 0.919 501 L HN 0.301 nan 8.230 nan 0.000 0.442 502 G N -1.909 106.752 108.800 -0.232 0.000 3.159 502 G HA2 -0.006 3.956 3.960 0.003 0.000 0.232 502 G HA3 -0.006 3.956 3.960 0.003 0.000 0.232 502 G C 1.283 176.062 174.900 -0.202 0.000 1.116 502 G CA 0.758 45.724 45.100 -0.223 0.000 0.767 502 G HN 0.360 nan 8.290 nan 0.000 0.547 503 T N -3.512 110.914 114.554 -0.213 0.000 2.959 503 T HA 0.349 4.701 4.350 0.003 0.000 0.254 503 T C 1.465 176.016 174.700 -0.249 0.000 1.003 503 T CA -0.183 61.797 62.100 -0.200 0.000 0.950 503 T CB 0.250 69.008 68.868 -0.184 0.000 1.090 503 T HN -0.100 nan 8.240 nan 0.000 0.503 504 M N 2.930 122.317 119.600 -0.355 0.000 2.297 504 M HA 0.462 4.944 4.480 0.003 0.000 0.211 504 M C 0.661 176.833 176.300 -0.213 0.000 0.897 504 M CA 0.044 55.122 55.300 -0.370 0.000 1.820 504 M CB -0.265 31.908 32.600 -0.711 0.000 1.104 504 M HN 0.372 nan 8.290 nan 0.000 0.886 505 T N -2.574 111.895 114.554 -0.141 0.000 2.893 505 T HA 0.703 5.055 4.350 0.003 0.000 0.291 505 T C 0.080 174.763 174.700 -0.029 0.000 1.028 505 T CA -0.342 61.719 62.100 -0.065 0.000 0.995 505 T CB 1.582 70.432 68.868 -0.030 0.000 1.051 505 T HN 0.887 nan 8.240 nan 0.000 0.470 506 A N 1.719 124.511 122.820 -0.046 0.000 2.550 506 A HA -0.207 4.115 4.320 0.003 0.000 0.298 506 A C 1.691 179.262 177.584 -0.021 0.000 1.485 506 A CA 1.412 53.420 52.037 -0.048 0.000 0.780 506 A CB -2.619 16.352 19.000 -0.047 0.000 1.045 506 A HN 2.043 nan 8.150 nan 0.000 0.423 507 T N -1.998 112.532 114.554 -0.039 0.000 2.896 507 T HA -0.242 4.110 4.350 0.003 0.000 0.270 507 T C 1.413 176.102 174.700 -0.019 0.000 1.104 507 T CA 1.550 63.641 62.100 -0.015 0.000 1.115 507 T CB -0.485 68.277 68.868 -0.176 0.000 0.843 507 T HN 0.607 nan 8.240 nan 0.000 0.523 508 N N 2.017 120.686 118.700 -0.051 0.000 2.364 508 N HA -0.091 4.651 4.740 0.003 0.000 0.183 508 N C 2.096 177.590 175.510 -0.026 0.000 1.022 508 N CA 1.266 54.294 53.050 -0.037 0.000 0.883 508 N CB -0.324 38.153 38.487 -0.018 0.000 0.965 508 N HN 0.783 nan 8.380 nan 0.000 0.438 509 R N -0.798 119.679 120.500 -0.038 0.000 2.148 509 R HA -0.064 4.278 4.340 0.003 0.000 0.223 509 R C 1.234 177.407 176.300 -0.212 0.000 1.088 509 R CA 0.892 56.918 56.100 -0.124 0.000 0.985 509 R CB -0.757 29.431 30.300 -0.187 0.000 0.880 509 R HN 0.210 nan 8.270 nan 0.000 0.451 510 Y N 1.397 121.567 120.300 -0.217 0.000 2.439 510 Y HA 0.043 4.595 4.550 0.003 0.000 0.292 510 Y C 2.694 178.415 175.900 -0.300 0.000 1.130 510 Y CA 1.151 59.096 58.100 -0.257 0.000 1.254 510 Y CB -0.065 38.278 38.460 -0.194 0.000 1.000 510 Y HN 0.257 nan 8.280 nan 0.000 0.554 511 A N -0.003 122.737 122.820 -0.132 0.000 1.930 511 A HA -0.095 4.227 4.320 0.003 0.000 0.215 511 A C 2.086 179.607 177.584 -0.105 0.000 1.176 511 A CA 1.048 52.944 52.037 -0.234 0.000 0.632 511 A CB -0.274 18.683 19.000 -0.073 0.000 0.819 511 A HN 0.318 nan 8.150 nan 0.000 0.445 512 K N -0.009 120.360 120.400 -0.052 0.000 2.211 512 K HA -0.109 4.213 4.320 0.003 0.000 0.203 512 K C 2.054 178.635 176.600 -0.032 0.000 1.050 512 K CA 1.545 57.832 56.287 -0.000 0.000 0.945 512 K CB -0.369 32.129 32.500 -0.002 0.000 0.732 512 K HN 0.808 nan 8.250 nan 0.000 0.451 513 M N -1.472 118.027 119.600 -0.168 0.000 2.200 513 M HA -0.093 4.389 4.480 0.003 0.000 0.265 513 M C 1.362 177.585 176.300 -0.127 0.000 1.066 513 M CA 1.567 56.738 55.300 -0.215 0.000 1.127 513 M CB -0.787 31.559 32.600 -0.424 0.000 1.379 513 M HN -0.056 nan 8.290 nan 0.000 0.420 514 Y N 2.448 122.700 120.300 -0.079 0.000 2.384 514 Y HA -0.146 4.406 4.550 0.003 0.000 0.289 514 Y C 2.569 178.529 175.900 0.099 0.000 1.152 514 Y CA 1.671 59.769 58.100 -0.003 0.000 1.258 514 Y CB -0.553 37.840 38.460 -0.112 0.000 0.979 514 Y HN 0.547 nan 8.280 nan 0.000 0.549 515 T N -3.568 111.128 114.554 0.237 0.000 3.122 515 T HA -0.001 4.351 4.350 0.003 0.000 0.250 515 T C 0.387 175.176 174.700 0.148 0.000 1.067 515 T CA -0.245 61.974 62.100 0.200 0.000 0.966 515 T CB -0.404 68.572 68.868 0.179 0.000 1.002 515 T HN 0.220 nan 8.240 nan 0.000 0.542 516 H N 3.010 122.122 119.070 0.069 0.000 2.848 516 H HA 0.089 4.647 4.556 0.003 0.000 0.341 516 H C 0.457 175.829 175.328 0.072 0.000 1.060 516 H CA 0.609 56.684 56.048 0.045 0.000 1.444 516 H CB 1.179 30.940 29.762 -0.001 0.000 1.446 516 H HN 0.367 nan 8.280 nan 0.000 0.583 517 D N 1.743 121.990 120.400 -0.256 0.000 2.363 517 D HA -0.141 4.501 4.640 0.003 0.000 0.226 517 D C 1.462 177.804 176.300 0.070 0.000 1.020 517 D CA 0.671 54.641 54.000 -0.049 0.000 0.892 517 D CB -0.108 40.644 40.800 -0.079 0.000 0.900 517 D HN 0.371 nan 8.370 nan 0.000 0.531 518 S N -0.505 115.336 115.700 0.234 0.000 2.496 518 S HA 0.031 4.503 4.470 0.003 0.000 0.224 518 S C 1.027 175.747 174.600 0.200 0.000 0.996 518 S CA -0.455 57.896 58.200 0.252 0.000 0.927 518 S CB -0.420 62.986 63.200 0.345 0.000 0.774 518 S HN 0.261 nan 8.310 nan 0.000 0.524 519 L N 2.611 123.970 121.223 0.227 0.000 2.356 519 L HA 0.269 4.611 4.340 0.003 0.000 0.282 519 L C 0.927 177.941 176.870 0.241 0.000 1.132 519 L CA -0.183 54.781 54.840 0.207 0.000 0.923 519 L CB 0.468 42.649 42.059 0.202 0.000 1.278 519 L HN 0.365 nan 8.230 nan 0.000 0.436 520 E N 3.065 123.422 120.200 0.261 0.000 2.274 520 E HA -0.077 4.275 4.350 0.003 0.000 0.194 520 E C -0.367 176.517 176.600 0.474 0.000 0.996 520 E CA 0.736 57.332 56.400 0.327 0.000 0.840 520 E CB 0.350 30.230 29.700 0.300 0.000 0.772 520 E HN 0.319 nan 8.360 nan 0.000 0.491 521 F N -0.258 119.804 119.950 0.187 0.000 2.672 521 F HA 0.317 4.846 4.527 0.003 0.000 0.311 521 F C -1.900 173.942 175.800 0.071 0.000 1.113 521 F CA -1.255 56.799 58.000 0.090 0.000 0.996 521 F CB 1.495 40.586 39.000 0.152 0.000 1.286 521 F HN -0.406 nan 8.300 nan 0.000 0.441 522 V N 5.639 125.122 119.914 -0.719 0.000 2.569 522 V HA 0.619 4.741 4.120 0.003 0.000 0.301 522 V C -1.078 174.489 176.094 -0.878 0.000 1.044 522 V CA -0.810 61.148 62.300 -0.570 0.000 0.874 522 V CB 1.579 33.317 31.823 -0.142 0.000 1.002 522 V HN 0.655 nan 8.190 nan 0.000 0.424 523 V N 2.982 122.435 119.914 -0.768 0.000 2.581 523 V HA 0.704 4.826 4.120 0.003 0.000 0.303 523 V C 0.047 175.906 176.094 -0.392 0.000 1.041 523 V CA -0.414 61.489 62.300 -0.661 0.000 0.907 523 V CB 2.112 33.418 31.823 -0.861 0.000 0.994 523 V HN 0.837 nan 8.190 nan 0.000 0.442 524 S N 3.011 118.532 115.700 -0.298 0.000 2.605 524 S HA 0.429 4.901 4.470 0.003 0.000 0.308 524 S C -0.709 173.819 174.600 -0.120 0.000 1.113 524 S CA -0.558 57.528 58.200 -0.190 0.000 1.049 524 S CB 1.214 64.269 63.200 -0.242 0.000 1.001 524 S HN 0.830 nan 8.310 nan 0.000 0.480 525 Q N 3.921 123.723 119.800 0.004 0.000 2.560 525 Q HA 0.552 4.894 4.340 0.003 0.000 0.238 525 Q C -0.983 174.896 176.000 -0.203 0.000 1.079 525 Q CA -0.278 55.526 55.803 0.002 0.000 0.866 525 Q CB 0.405 29.312 28.738 0.281 0.000 1.153 525 Q HN 0.676 nan 8.270 nan 0.000 0.530 526 S N 2.359 117.932 115.700 -0.212 0.000 2.811 526 S HA 0.529 5.001 4.470 0.003 0.000 0.311 526 S C 0.649 175.086 174.600 -0.271 0.000 1.152 526 S CA -0.739 57.309 58.200 -0.255 0.000 0.864 526 S CB 0.981 64.070 63.200 -0.184 0.000 1.226 526 S HN 0.633 nan 8.310 nan 0.000 0.541 527 I N -0.885 119.492 120.570 -0.323 0.000 3.172 527 I HA 0.212 4.384 4.170 0.003 0.000 0.278 527 I C -0.184 175.564 176.117 -0.614 0.000 1.174 527 I CA 0.492 61.430 61.300 -0.603 0.000 1.445 527 I CB 0.287 37.609 38.000 -1.130 0.000 1.175 527 I HN 0.297 nan 8.210 nan 0.000 0.447 528 W N 0.517 121.749 121.300 -0.113 0.000 2.606 528 W HA 0.292 4.954 4.660 0.003 0.000 0.332 528 W C -0.768 175.683 176.519 -0.113 0.000 1.052 528 W CA -1.091 56.203 57.345 -0.084 0.000 1.223 528 W CB 1.389 30.790 29.460 -0.099 0.000 1.383 528 W HN -0.188 nan 8.180 nan 0.000 0.524 529 F N 4.615 124.543 119.950 -0.036 0.000 2.541 529 F HA 0.137 4.666 4.527 0.003 0.000 0.347 529 F C 0.293 175.941 175.800 -0.253 0.000 1.242 529 F CA 0.430 58.241 58.000 -0.315 0.000 1.123 529 F CB -0.242 38.334 39.000 -0.707 0.000 1.354 529 F HN 0.372 nan 8.300 nan 0.000 0.621 530 E N 2.359 122.254 120.200 -0.509 0.000 2.435 530 E HA 0.603 4.955 4.350 0.003 0.000 0.277 530 E C 0.433 176.833 176.600 -0.333 0.000 1.106 530 E CA -0.796 55.375 56.400 -0.382 0.000 0.868 530 E CB 0.298 29.897 29.700 -0.167 0.000 1.454 530 E HN 0.589 nan 8.360 nan 0.000 0.452 531 G N 1.170 109.852 108.800 -0.198 0.000 2.672 531 G HA2 -0.450 3.512 3.960 0.003 0.000 0.332 531 G HA3 -0.450 3.512 3.960 0.003 0.000 0.332 531 G C 0.706 175.567 174.900 -0.066 0.000 1.213 531 G CA 0.953 45.989 45.100 -0.108 0.000 0.980 531 G HN 0.685 nan 8.290 nan 0.000 0.548 532 E N 0.337 120.474 120.200 -0.105 0.000 2.385 532 E HA 0.240 4.592 4.350 0.003 0.000 0.194 532 E C 2.658 179.160 176.600 -0.164 0.000 1.013 532 E CA 0.472 56.849 56.400 -0.038 0.000 0.866 532 E CB 0.151 29.793 29.700 -0.096 0.000 0.832 532 E HN 0.332 nan 8.360 nan 0.000 0.500 533 V N 1.691 121.412 119.914 -0.322 0.000 2.317 533 V HA -0.222 3.900 4.120 0.003 0.000 0.251 533 V C -1.059 174.719 176.094 -0.526 0.000 1.065 533 V CA 1.763 63.792 62.300 -0.451 0.000 1.049 533 V CB -1.417 30.064 31.823 -0.570 0.000 0.651 533 V HN 0.212 nan 8.190 nan 0.000 0.450 534 P HA 0.043 nan 4.420 nan 0.000 0.258 534 P C 0.503 177.584 177.300 -0.366 0.000 1.319 534 P CA 0.950 63.749 63.100 -0.502 0.000 0.785 534 P CB -0.390 30.905 31.700 -0.675 0.000 1.252 535 F N -1.388 118.379 119.950 -0.305 0.000 2.728 535 F HA 0.353 4.882 4.527 0.003 0.000 0.314 535 F C 1.426 177.059 175.800 -0.279 0.000 1.094 535 F CA -0.423 57.358 58.000 -0.364 0.000 1.217 535 F CB -0.037 38.400 39.000 -0.937 0.000 1.056 535 F HN -0.201 nan 8.300 nan 0.000 0.577 536 A N 0.316 123.095 122.820 -0.069 0.000 2.332 536 A HA 0.197 4.519 4.320 0.003 0.000 0.258 536 A C 0.876 178.459 177.584 -0.001 0.000 1.087 536 A CA -0.190 51.779 52.037 -0.113 0.000 0.802 536 A CB 0.246 19.117 19.000 -0.215 0.000 1.042 536 A HN 0.187 nan 8.150 nan 0.000 0.489 537 D N -0.267 119.999 120.400 -0.224 0.000 2.183 537 D HA 0.093 4.735 4.640 0.003 0.000 0.205 537 D C 0.286 176.567 176.300 -0.031 0.000 0.962 537 D CA 1.258 55.079 54.000 -0.299 0.000 0.849 537 D CB 0.161 40.378 40.800 -0.972 0.000 0.978 537 D HN 0.342 nan 8.370 nan 0.000 0.488 538 I N 1.152 121.655 120.570 -0.111 0.000 2.582 538 I HA 0.365 4.537 4.170 0.003 0.000 0.292 538 I C -0.396 175.635 176.117 -0.143 0.000 1.066 538 I CA -0.599 60.690 61.300 -0.018 0.000 1.053 538 I CB 2.431 40.482 38.000 0.085 0.000 1.241 538 I HN -0.236 nan 8.210 nan 0.000 0.421 539 I N 6.064 126.549 120.570 -0.142 0.000 2.498 539 I HA 0.425 4.597 4.170 0.003 0.000 0.290 539 I C -0.751 175.227 176.117 -0.231 0.000 1.032 539 I CA -0.600 60.573 61.300 -0.211 0.000 1.073 539 I CB 2.271 40.107 38.000 -0.273 0.000 1.251 539 I HN 0.218 nan 8.210 nan 0.000 0.426 540 L N 7.417 128.518 121.223 -0.203 0.000 2.305 540 L HA 0.493 4.835 4.340 0.003 0.000 0.284 540 L C -2.539 174.249 176.870 -0.136 0.000 1.013 540 L CA -1.925 52.774 54.840 -0.235 0.000 0.819 540 L CB 1.405 43.465 42.059 0.002 0.000 1.227 540 L HN 0.220 nan 8.230 nan 0.000 0.417 541 P HA 0.168 nan 4.420 nan 0.000 0.276 541 P C -0.691 176.671 177.300 0.102 0.000 1.264 541 P CA 0.035 63.111 63.100 -0.040 0.000 0.769 541 P CB 1.068 32.749 31.700 -0.030 0.000 0.840 542 A N 3.322 126.102 122.820 -0.068 0.000 2.294 542 A HA 0.661 4.983 4.320 0.003 0.000 0.330 542 A C 0.374 177.858 177.584 -0.166 0.000 1.133 542 A CA -0.443 51.538 52.037 -0.095 0.000 0.836 542 A CB 0.547 19.424 19.000 -0.204 0.000 1.190 542 A HN 0.700 nan 8.150 nan 0.000 0.492 543 C N -0.035 119.197 119.300 -0.113 0.000 2.354 543 C HA 0.921 5.383 4.460 0.003 0.000 0.381 543 C C 0.947 175.870 174.990 -0.112 0.000 1.240 543 C CA 0.055 59.001 59.018 -0.121 0.000 2.089 543 C CB 0.523 28.244 27.740 -0.031 0.000 2.234 543 C HN 1.115 nan 8.230 nan 0.000 0.544 544 T N -0.509 114.016 114.554 -0.047 0.000 2.824 544 T HA 0.251 4.603 4.350 0.003 0.000 0.277 544 T C 1.091 175.889 174.700 0.164 0.000 0.975 544 T CA 0.004 62.172 62.100 0.114 0.000 0.966 544 T CB 0.438 69.507 68.868 0.336 0.000 1.054 544 T HN 0.892 nan 8.240 nan 0.000 0.533 545 N N -0.130 118.699 118.700 0.216 0.000 2.512 545 N HA -0.073 4.669 4.740 0.003 0.000 0.183 545 N C 0.875 176.362 175.510 -0.037 0.000 1.073 545 N CA 0.636 53.734 53.050 0.080 0.000 0.911 545 N CB -0.495 38.013 38.487 0.034 0.000 0.964 545 N HN 0.588 nan 8.380 nan 0.000 0.447 546 F N 0.998 120.965 119.950 0.028 0.000 2.811 546 F HA 0.193 4.722 4.527 0.003 0.000 0.301 546 F C 1.157 176.918 175.800 -0.065 0.000 1.151 546 F CA 0.264 58.254 58.000 -0.017 0.000 1.412 546 F CB 0.210 39.224 39.000 0.023 0.000 1.113 546 F HN 0.058 nan 8.300 nan 0.000 0.579 547 E N 0.414 120.668 120.200 0.090 0.000 2.569 547 E HA 0.189 4.541 4.350 0.003 0.000 0.205 547 E C 0.160 176.741 176.600 -0.031 0.000 1.006 547 E CA -0.213 56.198 56.400 0.019 0.000 0.985 547 E CB 0.423 30.147 29.700 0.040 0.000 1.060 547 E HN 0.351 nan 8.360 nan 0.000 0.460 548 R N -1.107 119.344 120.500 -0.081 0.000 2.747 548 R HA 0.428 4.770 4.340 0.003 0.000 0.272 548 R C -1.655 174.581 176.300 -0.107 0.000 1.032 548 R CA -1.040 55.032 56.100 -0.046 0.000 0.896 548 R CB 0.566 30.917 30.300 0.085 0.000 1.253 548 R HN -0.106 nan 8.270 nan 0.000 0.461 549 W N 0.628 121.997 121.300 0.115 0.000 2.417 549 W HA 0.530 5.192 4.660 0.003 0.000 0.317 549 W C 0.047 176.642 176.519 0.126 0.000 1.121 549 W CA 0.511 57.942 57.345 0.142 0.000 1.208 549 W CB 1.247 30.829 29.460 0.203 0.000 1.253 549 W HN 0.476 nan 8.180 nan 0.000 0.533 550 D N 1.090 121.731 120.400 0.401 0.000 2.779 550 D HA 0.485 5.127 4.640 0.003 0.000 0.331 550 D C -1.799 174.689 176.300 0.313 0.000 1.331 550 D CA -0.676 53.483 54.000 0.264 0.000 0.866 550 D CB 1.986 42.869 40.800 0.139 0.000 1.409 550 D HN 0.374 nan 8.370 nan 0.000 0.486 551 I N 0.562 121.264 120.570 0.221 0.000 2.752 551 I HA 0.541 4.713 4.170 0.003 0.000 0.295 551 I C -1.484 174.774 176.117 0.236 0.000 1.219 551 I CA -0.041 61.464 61.300 0.341 0.000 1.030 551 I CB 1.618 39.928 38.000 0.515 0.000 1.259 551 I HN 0.576 nan 8.210 nan 0.000 0.423 552 S N 4.216 120.119 115.700 0.338 0.000 2.636 552 S HA 0.508 4.980 4.470 0.003 0.000 0.268 552 S C -1.396 173.427 174.600 0.371 0.000 1.159 552 S CA -0.896 57.491 58.200 0.312 0.000 0.815 552 S CB 1.864 65.102 63.200 0.063 0.000 1.130 552 S HN 0.784 nan 8.310 nan 0.000 0.471 553 E N 0.168 120.637 120.200 0.448 0.000 2.238 553 E HA 0.484 4.836 4.350 0.003 0.000 0.267 553 E C -1.273 175.723 176.600 0.660 0.000 0.887 553 E CA -0.959 55.665 56.400 0.373 0.000 0.769 553 E CB 0.978 30.823 29.700 0.240 0.000 1.187 553 E HN 0.532 nan 8.360 nan 0.000 0.416 554 F N 3.898 124.050 119.950 0.336 0.000 2.506 554 F HA 0.086 4.615 4.527 0.003 0.000 0.387 554 F C 0.777 176.781 175.800 0.340 0.000 1.053 554 F CA 0.873 59.039 58.000 0.277 0.000 1.083 554 F CB -0.963 38.149 39.000 0.187 0.000 1.010 554 F HN 0.719 nan 8.300 nan 0.000 0.551 555 A N 3.880 127.050 122.820 0.585 0.000 2.860 555 A HA -0.317 4.005 4.320 0.003 0.000 0.267 555 A C 0.606 178.555 177.584 0.608 0.000 1.421 555 A CA 0.949 53.242 52.037 0.426 0.000 0.831 555 A CB -2.622 16.413 19.000 0.059 0.000 1.041 555 A HN 0.790 nan 8.150 nan 0.000 0.623 556 N N -0.344 118.802 118.700 0.743 0.000 2.439 556 N HA 0.338 5.080 4.740 0.003 0.000 0.243 556 N C 0.826 176.493 175.510 0.261 0.000 1.088 556 N CA 0.315 53.664 53.050 0.498 0.000 0.940 556 N CB 0.572 39.343 38.487 0.474 0.000 1.180 556 N HN 0.620 nan 8.380 nan 0.000 0.505 557 C N 2.670 122.043 119.300 0.123 0.000 2.543 557 C HA 0.293 4.755 4.460 0.003 0.000 0.289 557 C C 1.388 176.079 174.990 -0.499 0.000 1.368 557 C CA 1.186 59.974 59.018 -0.383 0.000 1.778 557 C CB -0.892 26.891 27.740 0.071 0.000 2.155 557 C HN 0.887 nan 8.230 nan 0.000 0.529 558 S N -1.287 114.253 115.700 -0.267 0.000 3.486 558 S HA 0.121 4.593 4.470 0.003 0.000 0.632 558 S C 0.977 175.225 174.600 -0.588 0.000 2.553 558 S CA 2.012 59.987 58.200 -0.374 0.000 2.974 558 S CB -1.697 61.384 63.200 -0.198 0.000 0.320 558 S HN 2.626 nan 8.310 nan 0.000 1.613 559 G N 0.850 109.214 108.800 -0.727 0.000 2.602 559 G HA2 -0.361 3.601 3.960 0.003 0.000 0.310 559 G HA3 -0.361 3.601 3.960 0.003 0.000 0.310 559 G C 0.541 175.083 174.900 -0.596 0.000 1.183 559 G CA 1.417 46.113 45.100 -0.673 0.000 0.979 559 G HN 2.103 nan 8.290 nan 0.000 0.545 560 Y N 0.715 120.959 120.300 -0.093 0.000 2.632 560 Y HA 0.605 5.157 4.550 0.004 0.000 0.301 560 Y C 1.510 177.351 175.900 -0.099 0.000 1.172 560 Y CA 0.245 58.296 58.100 -0.082 0.000 1.328 560 Y CB -0.319 38.104 38.460 -0.062 0.000 1.016 560 Y HN 0.379 nan 8.280 nan 0.000 0.529 561 I N 1.577 122.121 120.570 -0.043 0.000 2.917 561 I HA 0.285 4.457 4.170 0.003 0.000 0.292 561 I C -2.862 173.025 176.117 -0.385 0.000 1.510 561 I CA -1.951 59.271 61.300 -0.130 0.000 0.858 561 I CB 1.168 39.185 38.000 0.027 0.000 1.862 561 I HN -0.212 nan 8.210 nan 0.000 0.615 562 P HA -0.018 nan 4.420 nan 0.000 0.262 562 P C -0.147 176.862 177.300 -0.485 0.000 1.182 562 P CA 0.631 63.230 63.100 -0.835 0.000 0.761 562 P CB 0.266 31.246 31.700 -1.200 0.000 0.795 563 D N 1.421 121.632 120.400 -0.315 0.000 2.708 563 D HA -0.213 4.429 4.640 0.003 0.000 0.236 563 D C 0.600 176.385 176.300 -0.857 0.000 1.146 563 D CA 1.110 54.769 54.000 -0.567 0.000 0.662 563 D CB -1.726 38.868 40.800 -0.343 0.000 1.059 563 D HN 0.661 nan 8.370 nan 0.000 0.428 564 N N -0.484 117.932 118.700 -0.472 0.000 2.571 564 N HA -0.172 4.570 4.740 0.003 0.000 0.189 564 N C 1.768 177.153 175.510 -0.209 0.000 1.154 564 N CA 0.409 53.263 53.050 -0.327 0.000 0.907 564 N CB -0.481 37.919 38.487 -0.146 0.000 0.977 564 N HN 0.556 nan 8.380 nan 0.000 0.449 565 Y N 0.131 120.476 120.300 0.074 0.000 2.639 565 Y HA -0.072 4.480 4.550 0.003 0.000 0.297 565 Y C 1.902 177.844 175.900 0.070 0.000 1.151 565 Y CA 0.207 58.366 58.100 0.098 0.000 1.335 565 Y CB -0.754 37.815 38.460 0.182 0.000 0.994 565 Y HN 0.329 nan 8.280 nan 0.000 0.548 566 Q N 0.715 120.416 119.800 -0.165 0.000 2.515 566 Q HA 0.030 4.372 4.340 0.003 0.000 0.214 566 Q C 1.225 177.221 176.000 -0.006 0.000 0.971 566 Q CA 0.632 56.444 55.803 0.015 0.000 0.952 566 Q CB -0.323 28.394 28.738 -0.035 0.000 0.999 566 Q HN 0.641 nan 8.270 nan 0.000 0.524 567 L N 0.167 121.361 121.223 -0.048 0.000 2.270 567 L HA 0.060 4.402 4.340 0.003 0.000 0.210 567 L C 0.796 177.624 176.870 -0.069 0.000 1.104 567 L CA -0.093 54.704 54.840 -0.073 0.000 0.804 567 L CB 0.186 42.180 42.059 -0.107 0.000 0.937 567 L HN 0.362 nan 8.230 nan 0.000 0.450 568 C N -0.300 118.948 119.300 -0.086 0.000 2.347 568 C HA 0.159 4.621 4.460 0.003 0.000 0.366 568 C C 1.745 176.830 174.990 0.159 0.000 1.241 568 C CA -0.930 58.036 59.018 -0.087 0.000 2.360 568 C CB 0.590 28.131 27.740 -0.332 0.000 2.290 568 C HN 0.358 nan 8.230 nan 0.000 0.587 569 N N 0.053 118.924 118.700 0.286 0.000 2.463 569 N HA 0.032 4.774 4.740 0.003 0.000 0.181 569 N C -0.288 175.365 175.510 0.237 0.000 1.078 569 N CA 0.904 54.192 53.050 0.397 0.000 0.902 569 N CB -0.035 38.691 38.487 0.399 0.000 0.970 569 N HN 0.732 nan 8.380 nan 0.000 0.451 570 H N -1.258 118.055 119.070 0.404 0.000 3.046 570 H HA 0.359 4.917 4.556 0.003 0.000 0.361 570 H C -0.533 174.959 175.328 0.273 0.000 1.235 570 H CA -0.666 55.593 56.048 0.353 0.000 1.146 570 H CB 1.287 31.277 29.762 0.381 0.000 1.859 570 H HN -0.206 nan 8.280 nan 0.000 0.548 571 R N 1.666 122.319 120.500 0.256 0.000 2.235 571 R HA 0.382 4.724 4.340 0.003 0.000 0.338 571 R C -0.935 175.413 176.300 0.080 0.000 1.087 571 R CA -0.511 55.672 56.100 0.139 0.000 0.948 571 R CB 0.554 30.831 30.300 -0.040 0.000 1.099 571 R HN 0.186 nan 8.270 nan 0.000 0.483 572 V N 6.082 126.131 119.914 0.225 0.000 2.347 572 V HA 0.353 4.475 4.120 0.003 0.000 0.280 572 V C 0.308 176.505 176.094 0.172 0.000 1.021 572 V CA -0.581 61.824 62.300 0.173 0.000 0.847 572 V CB 1.491 33.471 31.823 0.262 0.000 0.990 572 V HN 0.621 nan 8.190 nan 0.000 0.444 573 I N 5.139 125.782 120.570 0.123 0.000 2.339 573 I HA 0.567 4.739 4.170 0.003 0.000 0.290 573 I C 0.210 176.562 176.117 0.391 0.000 0.994 573 I CA 0.109 61.475 61.300 0.111 0.000 1.191 573 I CB 1.728 39.680 38.000 -0.081 0.000 1.343 573 I HN 0.748 nan 8.210 nan 0.000 0.458 574 S N 6.220 122.156 115.700 0.393 0.000 2.569 574 S HA 0.651 5.123 4.470 0.003 0.000 0.280 574 S C -0.910 173.911 174.600 0.369 0.000 1.111 574 S CA -0.931 57.487 58.200 0.365 0.000 0.887 574 S CB 2.206 65.529 63.200 0.205 0.000 1.095 574 S HN 0.465 nan 8.310 nan 0.000 0.476 575 L N 1.538 122.829 121.223 0.115 0.000 2.290 575 L HA 0.431 4.773 4.340 0.003 0.000 0.284 575 L C -0.120 176.814 176.870 0.107 0.000 1.078 575 L CA 0.161 55.079 54.840 0.130 0.000 0.815 575 L CB 0.713 42.648 42.059 -0.207 0.000 1.162 575 L HN 0.789 nan 8.230 nan 0.000 0.435 576 Q N 5.500 125.405 119.800 0.174 0.000 2.835 576 Q HA 0.433 4.775 4.340 0.003 0.000 0.235 576 Q C -0.049 175.951 176.000 0.001 0.000 1.313 576 Q CA -0.434 55.386 55.803 0.029 0.000 1.053 576 Q CB 0.594 29.343 28.738 0.020 0.000 1.443 576 Q HN 0.855 nan 8.270 nan 0.000 0.576 577 A N 2.373 125.139 122.820 -0.089 0.000 2.520 577 A HA 0.016 4.338 4.320 0.003 0.000 0.245 577 A C 0.281 177.428 177.584 -0.729 0.000 1.072 577 A CA -0.132 51.661 52.037 -0.406 0.000 0.761 577 A CB 0.201 19.050 19.000 -0.252 0.000 1.004 577 A HN 0.611 nan 8.150 nan 0.000 0.499 578 K N 3.092 122.595 120.400 -1.496 0.000 2.250 578 K HA 0.088 4.410 4.320 0.003 0.000 0.277 578 K C 0.548 176.838 176.600 -0.517 0.000 1.091 578 K CA -0.212 55.509 56.287 -0.943 0.000 1.046 578 K CB -0.557 31.219 32.500 -1.206 0.000 0.982 578 K HN 0.723 nan 8.250 nan 0.000 0.429 579 C N 4.530 123.687 119.300 -0.239 0.000 2.446 579 C HA 0.011 4.473 4.460 0.003 0.000 0.277 579 C C 1.358 176.344 174.990 -0.006 0.000 1.275 579 C CA 0.069 59.046 59.018 -0.068 0.000 1.727 579 C CB -0.990 26.804 27.740 0.090 0.000 2.010 579 C HN 0.869 nan 8.230 nan 0.000 0.486 580 I N -3.074 117.504 120.570 0.014 0.000 3.264 580 I HA 0.579 4.751 4.170 0.003 0.000 0.315 580 I C -0.998 175.142 176.117 0.038 0.000 1.154 580 I CA -0.735 60.599 61.300 0.057 0.000 0.962 580 I CB 1.012 39.088 38.000 0.127 0.000 1.265 580 I HN -0.211 nan 8.210 nan 0.000 0.463 581 E N 1.973 122.211 120.200 0.064 0.000 2.343 581 E HA 0.381 4.733 4.350 0.003 0.000 0.269 581 E C -2.385 174.254 176.600 0.065 0.000 1.047 581 E CA -1.562 54.874 56.400 0.060 0.000 0.874 581 E CB 0.484 30.225 29.700 0.069 0.000 1.033 581 E HN 0.401 nan 8.360 nan 0.000 0.409 582 P HA -0.077 nan 4.420 nan 0.000 0.264 582 P C -0.472 176.866 177.300 0.064 0.000 1.179 582 P CA 0.205 63.334 63.100 0.048 0.000 0.763 582 P CB 0.418 32.144 31.700 0.042 0.000 0.806 583 V N 3.268 123.213 119.914 0.052 0.000 2.686 583 V HA 0.429 4.551 4.120 0.003 0.000 0.295 583 V C 1.358 177.485 176.094 0.055 0.000 1.055 583 V CA 0.958 63.300 62.300 0.069 0.000 1.050 583 V CB 0.051 31.912 31.823 0.063 0.000 0.984 583 V HN 1.056 nan 8.190 nan 0.000 0.482 584 G N 4.113 112.953 108.800 0.067 0.000 2.574 584 G HA2 -0.299 3.663 3.960 0.003 0.000 0.286 584 G HA3 -0.299 3.663 3.960 0.003 0.000 0.286 584 G C 0.425 175.403 174.900 0.129 0.000 1.212 584 G CA 0.682 45.829 45.100 0.077 0.000 0.979 584 G HN 0.756 nan 8.290 nan 0.000 0.557 585 E N 0.743 121.051 120.200 0.180 0.000 2.496 585 E HA 0.387 4.739 4.350 0.003 0.000 0.200 585 E C 1.093 177.950 176.600 0.428 0.000 1.016 585 E CA 0.479 57.061 56.400 0.304 0.000 0.962 585 E CB 0.005 29.922 29.700 0.363 0.000 1.071 585 E HN 0.689 nan 8.360 nan 0.000 0.457 586 S N 0.755 116.602 115.700 0.245 0.000 2.592 586 S HA 0.441 4.913 4.470 0.003 0.000 0.271 586 S C 0.127 174.818 174.600 0.152 0.000 1.326 586 S CA -0.649 57.698 58.200 0.246 0.000 1.024 586 S CB 0.925 64.160 63.200 0.059 0.000 0.921 586 S HN 0.252 nan 8.310 nan 0.000 0.527 587 M N 0.409 120.065 119.600 0.093 0.000 2.531 587 M HA 0.538 5.020 4.480 0.003 0.000 0.286 587 M C -0.310 175.964 176.300 -0.043 0.000 1.232 587 M CA -0.930 54.329 55.300 -0.069 0.000 0.877 587 M CB 1.876 34.278 32.600 -0.330 0.000 1.726 587 M HN 0.739 nan 8.290 nan 0.000 0.463 588 S N -0.001 115.698 115.700 -0.002 0.000 2.558 588 S HA -0.003 4.469 4.470 0.003 0.000 0.287 588 S C 0.377 174.996 174.600 0.032 0.000 1.321 588 S CA 0.290 58.525 58.200 0.058 0.000 1.048 588 S CB 0.303 63.593 63.200 0.150 0.000 0.844 588 S HN 0.795 nan 8.310 nan 0.000 0.512 589 D N 0.988 121.427 120.400 0.065 0.000 2.149 589 D HA -0.165 4.477 4.640 0.003 0.000 0.198 589 D C 1.406 177.698 176.300 -0.013 0.000 0.990 589 D CA 1.756 55.739 54.000 -0.029 0.000 0.839 589 D CB -0.231 40.690 40.800 0.201 0.000 0.948 589 D HN 0.850 nan 8.370 nan 0.000 0.460 590 Y N 1.913 122.299 120.300 0.142 0.000 2.181 590 Y HA -0.179 4.373 4.550 0.003 0.000 0.288 590 Y C 2.237 178.278 175.900 0.235 0.000 1.146 590 Y CA 1.379 59.652 58.100 0.288 0.000 1.164 590 Y CB 0.169 38.779 38.460 0.250 0.000 0.982 590 Y HN -0.201 nan 8.280 nan 0.000 0.515 591 E N 0.425 120.717 120.200 0.154 0.000 2.150 591 E HA -0.158 4.194 4.350 0.003 0.000 0.193 591 E C 2.286 178.781 176.600 -0.175 0.000 0.985 591 E CA 1.309 57.712 56.400 0.006 0.000 0.814 591 E CB -0.270 29.429 29.700 -0.001 0.000 0.752 591 E HN 0.626 nan 8.360 nan 0.000 0.466 592 I N -0.135 120.291 120.570 -0.240 0.000 2.252 592 I HA -0.278 3.894 4.170 0.003 0.000 0.245 592 I C 2.127 178.121 176.117 -0.206 0.000 1.102 592 I CA 1.199 62.318 61.300 -0.301 0.000 1.385 592 I CB -0.385 37.473 38.000 -0.237 0.000 1.064 592 I HN 0.116 nan 8.210 nan 0.000 0.414 593 Y N 0.248 120.421 120.300 -0.212 0.000 2.373 593 Y HA -0.169 4.383 4.550 0.003 0.000 0.293 593 Y C 2.799 178.348 175.900 -0.584 0.000 1.129 593 Y CA 0.447 58.151 58.100 -0.661 0.000 1.226 593 Y CB -0.160 37.838 38.460 -0.770 0.000 1.000 593 Y HN 0.065 nan 8.280 nan 0.000 0.549 594 R N 0.387 120.810 120.500 -0.129 0.000 2.092 594 R HA -0.163 4.179 4.340 0.003 0.000 0.231 594 R C 2.117 178.417 176.300 -0.000 0.000 1.119 594 R CA 1.035 57.148 56.100 0.021 0.000 0.970 594 R CB -0.310 30.010 30.300 0.033 0.000 0.864 594 R HN 0.314 nan 8.270 nan 0.000 0.440 595 L N -0.011 121.156 121.223 -0.093 0.000 2.056 595 L HA -0.015 4.327 4.340 0.003 0.000 0.207 595 L C 1.615 178.443 176.870 -0.070 0.000 1.078 595 L CA 1.671 56.437 54.840 -0.124 0.000 0.749 595 L CB -0.560 41.337 42.059 -0.270 0.000 0.901 595 L HN 0.138 nan 8.230 nan 0.000 0.433 596 F N -0.190 119.738 119.950 -0.036 0.000 2.146 596 F HA -0.175 4.354 4.527 0.003 0.000 0.298 596 F C 2.504 178.387 175.800 0.139 0.000 1.096 596 F CA 1.113 59.152 58.000 0.065 0.000 1.275 596 F CB -0.519 38.481 39.000 -0.001 0.000 1.008 596 F HN 0.223 nan 8.300 nan 0.000 0.480 597 A N 0.003 122.981 122.820 0.263 0.000 1.908 597 A HA -0.284 4.038 4.320 0.003 0.000 0.218 597 A C 2.151 179.854 177.584 0.198 0.000 1.181 597 A CA 2.051 54.226 52.037 0.230 0.000 0.627 597 A CB -0.776 18.304 19.000 0.134 0.000 0.818 597 A HN 0.369 nan 8.150 nan 0.000 0.445 598 K N -0.186 120.309 120.400 0.157 0.000 2.057 598 K HA -0.149 4.173 4.320 0.003 0.000 0.207 598 K C 1.847 178.522 176.600 0.125 0.000 1.049 598 K CA 1.742 58.104 56.287 0.126 0.000 0.931 598 K CB -0.147 32.406 32.500 0.089 0.000 0.714 598 K HN 0.455 nan 8.250 nan 0.000 0.440 599 K N 0.114 120.603 120.400 0.147 0.000 2.305 599 K HA 0.031 4.353 4.320 0.003 0.000 0.199 599 K C 1.596 178.300 176.600 0.173 0.000 1.047 599 K CA 0.463 56.840 56.287 0.151 0.000 0.976 599 K CB 0.228 32.825 32.500 0.161 0.000 0.765 599 K HN 0.169 nan 8.250 nan 0.000 0.474 600 L N 0.650 121.998 121.223 0.208 0.000 2.592 600 L HA 0.067 4.409 4.340 0.003 0.000 0.227 600 L C 0.065 177.007 176.870 0.121 0.000 1.127 600 L CA -0.180 54.765 54.840 0.174 0.000 0.884 600 L CB -0.304 41.879 42.059 0.207 0.000 1.065 600 L HN 0.261 nan 8.230 nan 0.000 0.457 601 N N 1.168 119.942 118.700 0.122 0.000 2.783 601 N HA -0.221 4.521 4.740 0.003 0.000 0.247 601 N C 0.047 175.616 175.510 0.098 0.000 1.089 601 N CA 0.907 54.017 53.050 0.100 0.000 0.690 601 N CB -1.086 37.449 38.487 0.080 0.000 0.991 601 N HN 0.573 nan 8.380 nan 0.000 0.552 602 I N -3.704 116.941 120.570 0.125 0.000 3.297 602 I HA 0.253 4.425 4.170 0.003 0.000 0.321 602 I C 1.090 177.329 176.117 0.204 0.000 1.503 602 I CA -0.613 60.768 61.300 0.135 0.000 0.929 602 I CB 0.294 38.359 38.000 0.109 0.000 1.531 602 I HN 0.108 nan 8.210 nan 0.000 0.599 603 E N 2.049 122.368 120.200 0.199 0.000 2.110 603 E HA -0.285 4.067 4.350 0.003 0.000 0.193 603 E C 1.844 178.601 176.600 0.262 0.000 0.988 603 E CA 1.962 58.514 56.400 0.253 0.000 0.804 603 E CB 0.299 30.113 29.700 0.190 0.000 0.745 603 E HN 0.598 nan 8.360 nan 0.000 0.458 604 E N 0.327 120.639 120.200 0.186 0.000 2.028 604 E HA -0.190 4.162 4.350 0.003 0.000 0.191 604 E C 1.867 178.577 176.600 0.184 0.000 0.988 604 E CA 1.748 58.243 56.400 0.159 0.000 0.799 604 E CB -0.158 29.604 29.700 0.104 0.000 0.755 604 E HN 0.261 nan 8.360 nan 0.000 0.447 605 M N -0.485 119.221 119.600 0.176 0.000 2.149 605 M HA -0.004 4.478 4.480 0.003 0.000 0.261 605 M C 1.944 178.408 176.300 0.274 0.000 1.064 605 M CA 1.266 56.670 55.300 0.174 0.000 1.102 605 M CB -0.694 31.979 32.600 0.121 0.000 1.369 605 M HN 0.195 nan 8.290 nan 0.000 0.408 606 F N 0.520 120.579 119.950 0.183 0.000 2.074 606 F HA -0.129 4.400 4.527 0.003 0.000 0.293 606 F C 2.615 178.640 175.800 0.376 0.000 1.116 606 F CA 1.775 59.916 58.000 0.234 0.000 1.212 606 F CB -0.674 38.454 39.000 0.213 0.000 0.998 606 F HN 0.238 nan 8.300 nan 0.000 0.471 607 S N -0.753 115.095 115.700 0.248 0.000 2.446 607 S HA -0.015 4.457 4.470 0.003 0.000 0.225 607 S C 0.817 175.611 174.600 0.323 0.000 1.016 607 S CA 0.626 59.020 58.200 0.323 0.000 0.943 607 S CB -0.509 62.923 63.200 0.388 0.000 0.786 607 S HN 0.559 nan 8.310 nan 0.000 0.508 608 E N 0.494 120.831 120.200 0.228 0.000 2.722 608 E HA -0.202 4.150 4.350 0.003 0.000 0.265 608 E C 0.738 177.347 176.600 0.016 0.000 1.081 608 E CA 0.285 56.756 56.400 0.119 0.000 0.781 608 E CB -2.248 27.508 29.700 0.093 0.000 1.372 608 E HN 1.041 nan 8.360 nan 0.000 0.423 609 G N 0.228 109.069 108.800 0.067 0.000 2.153 609 G HA2 -0.365 3.597 3.960 0.003 0.000 0.252 609 G HA3 -0.365 3.597 3.960 0.003 0.000 0.252 609 G C 0.054 174.935 174.900 -0.032 0.000 0.994 609 G CA 1.085 46.202 45.100 0.028 0.000 0.698 609 G HN 0.294 nan 8.290 nan 0.000 0.521 610 K N 0.636 121.003 120.400 -0.055 0.000 2.203 610 K HA 0.582 4.903 4.320 0.003 0.000 0.251 610 K C -0.331 176.323 176.600 0.091 0.000 0.944 610 K CA -0.579 55.596 56.287 -0.188 0.000 0.829 610 K CB 1.536 33.566 32.500 -0.784 0.000 1.125 610 K HN 0.283 nan 8.250 nan 0.000 0.430 611 D N 0.079 120.509 120.400 0.051 0.000 2.487 611 D HA 0.088 4.730 4.640 0.003 0.000 0.262 611 D C 0.505 176.842 176.300 0.062 0.000 1.130 611 D CA -0.617 53.496 54.000 0.188 0.000 1.038 611 D CB 0.521 41.405 40.800 0.140 0.000 1.142 611 D HN 0.504 nan 8.370 nan 0.000 0.575 612 E N -1.098 119.099 120.200 -0.005 0.000 2.070 612 E HA -0.181 4.171 4.350 0.003 0.000 0.197 612 E C 1.777 178.412 176.600 0.058 0.000 1.004 612 E CA 0.912 57.276 56.400 -0.060 0.000 0.805 612 E CB -0.158 29.582 29.700 0.067 0.000 0.744 612 E HN 0.291 nan 8.360 nan 0.000 0.451 613 L N 0.518 121.759 121.223 0.030 0.000 2.083 613 L HA -0.115 4.227 4.340 0.003 0.000 0.209 613 L C 2.156 178.920 176.870 -0.176 0.000 1.083 613 L CA 1.856 56.653 54.840 -0.072 0.000 0.752 613 L CB -0.606 41.282 42.059 -0.285 0.000 0.899 613 L HN 0.078 nan 8.230 nan 0.000 0.433 614 A N -1.920 120.783 122.820 -0.195 0.000 1.969 614 A HA -0.226 4.096 4.320 0.003 0.000 0.218 614 A C 2.076 179.468 177.584 -0.321 0.000 1.169 614 A CA 1.489 53.340 52.037 -0.311 0.000 0.635 614 A CB -1.104 17.704 19.000 -0.319 0.000 0.810 614 A HN 0.628 nan 8.150 nan 0.000 0.445 615 W N -0.947 120.230 121.300 -0.205 0.000 2.409 615 W HA -0.116 4.546 4.660 0.004 0.000 0.299 615 W C 2.506 178.954 176.519 -0.118 0.000 1.203 615 W CA 0.884 58.135 57.345 -0.156 0.000 1.298 615 W CB -0.460 28.888 29.460 -0.186 0.000 1.127 615 W HN 0.321 nan 8.180 nan 0.000 0.528 616 C N -0.434 118.913 119.300 0.079 0.000 2.422 616 C HA -0.188 4.274 4.460 0.003 0.000 0.279 616 C C 2.478 177.330 174.990 -0.230 0.000 1.305 616 C CA 1.547 60.587 59.018 0.037 0.000 1.757 616 C CB -1.228 26.608 27.740 0.160 0.000 1.962 616 C HN 0.448 nan 8.230 nan 0.000 0.499 617 E N 0.540 120.324 120.200 -0.695 0.000 2.046 617 E HA -0.233 4.119 4.350 0.003 0.000 0.190 617 E C 2.283 178.690 176.600 -0.323 0.000 0.982 617 E CA 0.968 56.724 56.400 -1.074 0.000 0.800 617 E CB -0.359 28.532 29.700 -1.348 0.000 0.756 617 E HN 0.684 nan 8.360 nan 0.000 0.449 618 Q N -0.484 119.186 119.800 -0.217 0.000 2.084 618 Q HA -0.253 4.089 4.340 0.003 0.000 0.202 618 Q C 2.018 178.041 176.000 0.039 0.000 0.978 618 Q CA 1.682 57.418 55.803 -0.112 0.000 0.844 618 Q CB -0.321 28.315 28.738 -0.171 0.000 0.898 618 Q HN 0.496 nan 8.270 nan 0.000 0.426 619 Y N 0.117 120.442 120.300 0.042 0.000 2.128 619 Y HA -0.300 4.252 4.550 0.003 0.000 0.284 619 Y C 1.935 177.934 175.900 0.165 0.000 1.154 619 Y CA 2.013 60.210 58.100 0.162 0.000 1.149 619 Y CB -0.441 38.140 38.460 0.202 0.000 0.976 619 Y HN 0.283 nan 8.280 nan 0.000 0.505 620 F N 1.387 121.499 119.950 0.269 0.000 2.126 620 F HA -0.286 4.243 4.527 0.003 0.000 0.299 620 F C 1.905 177.772 175.800 0.112 0.000 1.096 620 F CA 2.057 60.209 58.000 0.253 0.000 1.255 620 F CB -0.527 38.658 39.000 0.308 0.000 0.997 620 F HN 0.061 nan 8.300 nan 0.000 0.479 621 N N 0.444 119.266 118.700 0.204 0.000 2.571 621 N HA -0.011 4.731 4.740 0.003 0.000 0.189 621 N C 1.318 176.781 175.510 -0.078 0.000 1.154 621 N CA 0.901 53.986 53.050 0.058 0.000 0.907 621 N CB -0.256 38.270 38.487 0.064 0.000 0.977 621 N HN 0.394 nan 8.380 nan 0.000 0.449 622 A N 0.071 122.817 122.820 -0.122 0.000 2.345 622 A HA 0.109 4.431 4.320 0.003 0.000 0.225 622 A C 1.214 178.739 177.584 -0.099 0.000 1.243 622 A CA 0.030 51.956 52.037 -0.185 0.000 0.875 622 A CB -0.058 18.713 19.000 -0.381 0.000 0.929 622 A HN 0.304 nan 8.150 nan 0.000 0.502 623 T N -4.301 110.159 114.554 -0.156 0.000 2.844 623 T HA 0.425 4.777 4.350 0.003 0.000 0.274 623 T C -0.025 174.575 174.700 -0.167 0.000 0.991 623 T CA -0.165 61.827 62.100 -0.181 0.000 0.983 623 T CB 0.949 69.626 68.868 -0.319 0.000 1.310 623 T HN -0.085 nan 8.240 nan 0.000 0.596 624 D N -0.189 120.074 120.400 -0.229 0.000 2.340 624 D HA 0.158 4.800 4.640 0.003 0.000 0.220 624 D C 1.802 178.118 176.300 0.027 0.000 1.039 624 D CA 0.118 54.003 54.000 -0.192 0.000 0.866 624 D CB -0.052 40.462 40.800 -0.478 0.000 0.913 624 D HN 0.308 nan 8.370 nan 0.000 0.523 625 M N 0.323 119.885 119.600 -0.062 0.000 2.202 625 M HA -0.091 4.391 4.480 0.003 0.000 0.262 625 M C -0.843 175.446 176.300 -0.018 0.000 1.063 625 M CA 1.258 56.522 55.300 -0.061 0.000 1.097 625 M CB -1.869 30.308 32.600 -0.706 0.000 1.382 625 M HN -0.038 nan 8.290 nan 0.000 0.413 626 P HA -0.148 nan 4.420 nan 0.000 0.223 626 P C 1.041 178.387 177.300 0.076 0.000 1.144 626 P CA 1.190 64.346 63.100 0.093 0.000 0.783 626 P CB -0.173 31.564 31.700 0.061 0.000 0.771 627 K N -2.395 118.045 120.400 0.067 0.000 2.365 627 K HA -0.084 4.238 4.320 0.003 0.000 0.199 627 K C 1.279 177.779 176.600 -0.167 0.000 1.045 627 K CA 1.154 57.419 56.287 -0.035 0.000 0.962 627 K CB -0.186 32.295 32.500 -0.032 0.000 0.759 627 K HN 0.307 nan 8.250 nan 0.000 0.469 628 Y N -0.327 119.985 120.300 0.019 0.000 2.594 628 Y HA 0.220 4.772 4.550 0.003 0.000 0.283 628 Y C 1.072 176.917 175.900 -0.092 0.000 1.140 628 Y CA -0.247 57.816 58.100 -0.061 0.000 1.261 628 Y CB 0.650 38.965 38.460 -0.243 0.000 1.358 628 Y HN -0.067 nan 8.280 nan 0.000 0.513 629 M N -1.025 118.625 119.600 0.083 0.000 2.721 629 M HA 0.536 5.018 4.480 0.003 0.000 0.271 629 M C -0.821 175.621 176.300 0.237 0.000 1.259 629 M CA -0.889 54.473 55.300 0.103 0.000 0.835 629 M CB 2.053 34.672 32.600 0.031 0.000 1.689 629 M HN -0.018 nan 8.290 nan 0.000 0.470 630 T N -2.168 112.501 114.554 0.192 0.000 2.881 630 T HA 0.204 4.556 4.350 0.003 0.000 0.278 630 T C 0.651 175.425 174.700 0.124 0.000 0.982 630 T CA -0.594 61.645 62.100 0.231 0.000 0.989 630 T CB 1.239 70.192 68.868 0.141 0.000 1.058 630 T HN 0.936 nan 8.240 nan 0.000 0.529 631 W N 0.964 122.167 121.300 -0.163 0.000 2.374 631 W HA -0.147 4.515 4.660 0.003 0.000 0.288 631 W C 0.674 177.110 176.519 -0.139 0.000 1.218 631 W CA 1.692 58.740 57.345 -0.495 0.000 1.245 631 W CB -0.364 28.864 29.460 -0.386 0.000 1.126 631 W HN 0.697 nan 8.180 nan 0.000 0.545 632 D N 0.418 120.723 120.400 -0.158 0.000 2.117 632 D HA -0.165 4.477 4.640 0.003 0.000 0.198 632 D C 2.007 178.225 176.300 -0.137 0.000 0.982 632 D CA 1.736 55.627 54.000 -0.183 0.000 0.828 632 D CB -0.522 40.256 40.800 -0.037 0.000 0.967 632 D HN 0.365 nan 8.370 nan 0.000 0.464 633 E N -0.257 119.906 120.200 -0.062 0.000 2.077 633 E HA -0.159 4.193 4.350 0.003 0.000 0.193 633 E C 1.916 178.481 176.600 -0.060 0.000 0.989 633 E CA 0.481 56.862 56.400 -0.032 0.000 0.800 633 E CB -0.206 29.506 29.700 0.020 0.000 0.746 633 E HN 0.218 nan 8.360 nan 0.000 0.452 634 F N 0.978 120.783 119.950 -0.241 0.000 2.102 634 F HA -0.202 4.327 4.527 0.003 0.000 0.298 634 F C 1.998 177.592 175.800 -0.344 0.000 1.105 634 F CA 1.205 59.047 58.000 -0.263 0.000 1.239 634 F CB -0.362 38.440 39.000 -0.330 0.000 0.991 634 F HN -0.042 nan 8.300 nan 0.000 0.474 635 F N 1.006 120.480 119.950 -0.793 0.000 2.333 635 F HA -0.124 4.405 4.527 0.003 0.000 0.300 635 F C 2.286 177.800 175.800 -0.476 0.000 1.083 635 F CA 1.748 59.241 58.000 -0.845 0.000 1.395 635 F CB -0.420 37.956 39.000 -1.040 0.000 1.056 635 F HN 0.006 nan 8.300 nan 0.000 0.529 636 K N 0.199 120.423 120.400 -0.294 0.000 2.128 636 K HA -0.091 4.231 4.320 0.003 0.000 0.202 636 K C 2.276 178.734 176.600 -0.237 0.000 1.050 636 K CA 0.648 56.808 56.287 -0.212 0.000 0.966 636 K CB -0.112 32.333 32.500 -0.091 0.000 0.759 636 K HN 0.150 nan 8.250 nan 0.000 0.454 637 K N -0.794 119.459 120.400 -0.244 0.000 2.097 637 K HA -0.093 4.229 4.320 0.003 0.000 0.205 637 K C 1.088 177.570 176.600 -0.197 0.000 1.050 637 K CA 1.617 57.782 56.287 -0.204 0.000 0.938 637 K CB 0.084 32.466 32.500 -0.197 0.000 0.718 637 K HN 0.418 nan 8.250 nan 0.000 0.442 638 G N -0.418 108.159 108.800 -0.372 0.000 2.420 638 G HA2 -0.300 3.662 3.960 0.003 0.000 0.221 638 G HA3 -0.300 3.662 3.960 0.003 0.000 0.221 638 G C -0.013 174.789 174.900 -0.163 0.000 1.117 638 G CA 0.468 45.407 45.100 -0.268 0.000 0.657 638 G HN 0.507 nan 8.290 nan 0.000 0.512 639 Y N -1.742 118.458 120.300 -0.167 0.000 2.597 639 Y HA 0.802 5.354 4.550 0.003 0.000 0.340 639 Y C -1.317 174.700 175.900 0.196 0.000 1.097 639 Y CA -2.148 55.962 58.100 0.017 0.000 1.037 639 Y CB 1.290 39.762 38.460 0.020 0.000 1.305 639 Y HN 0.609 nan 8.280 nan 0.000 0.463 640 F N 2.339 122.328 119.950 0.065 0.000 2.556 640 F HA 0.720 5.249 4.527 0.003 0.000 0.314 640 F C -1.751 173.973 175.800 -0.126 0.000 1.106 640 F CA -1.459 56.484 58.000 -0.094 0.000 0.911 640 F CB 2.077 41.135 39.000 0.097 0.000 1.190 640 F HN 0.464 nan 8.300 nan 0.000 0.448 641 V N 6.637 125.893 119.914 -1.097 0.000 2.318 641 V HA 0.262 4.384 4.120 0.003 0.000 0.271 641 V C -0.211 175.078 176.094 -1.342 0.000 1.030 641 V CA -0.939 60.788 62.300 -0.954 0.000 0.844 641 V CB 0.814 32.127 31.823 -0.850 0.000 1.015 641 V HN 0.600 nan 8.190 nan 0.000 0.460 642 V N 8.265 127.568 119.914 -1.019 0.000 2.557 642 V HA 0.060 4.182 4.120 0.003 0.000 0.301 642 V C -1.633 174.118 176.094 -0.571 0.000 1.026 642 V CA -0.659 61.080 62.300 -0.937 0.000 1.137 642 V CB 0.346 31.725 31.823 -0.739 0.000 0.917 642 V HN 0.731 nan 8.190 nan 0.000 0.484 643 P HA 0.110 nan 4.420 nan 0.000 0.271 643 P C -0.629 176.638 177.300 -0.054 0.000 1.233 643 P CA -0.319 62.672 63.100 -0.182 0.000 0.789 643 P CB 0.410 32.091 31.700 -0.032 0.000 0.951 644 D N 0.656 121.076 120.400 0.033 0.000 2.255 644 D HA 0.093 4.735 4.640 0.003 0.000 0.249 644 D C -0.388 175.963 176.300 0.086 0.000 1.078 644 D CA -0.152 53.898 54.000 0.084 0.000 0.896 644 D CB 0.028 40.906 40.800 0.129 0.000 1.194 644 D HN 0.061 nan 8.370 nan 0.000 0.429 645 N N 4.129 122.874 118.700 0.075 0.000 3.044 645 N HA 0.281 5.023 4.740 0.003 0.000 0.254 645 N C -2.142 173.402 175.510 0.057 0.000 1.253 645 N CA -1.975 51.121 53.050 0.077 0.000 0.944 645 N CB 1.191 39.727 38.487 0.082 0.000 1.217 645 N HN 0.196 nan 8.380 nan 0.000 0.498 646 P HA -0.053 nan 4.420 nan 0.000 0.215 646 P C 0.743 178.072 177.300 0.049 0.000 1.153 646 P CA 1.093 64.231 63.100 0.063 0.000 0.853 646 P CB 0.420 32.162 31.700 0.070 0.000 0.788 647 N N -0.360 118.370 118.700 0.050 0.000 2.459 647 N HA -0.066 4.676 4.740 0.003 0.000 0.181 647 N C 0.753 176.288 175.510 0.042 0.000 1.046 647 N CA 0.323 53.400 53.050 0.044 0.000 0.904 647 N CB -0.632 37.882 38.487 0.044 0.000 0.964 647 N HN 0.354 nan 8.380 nan 0.000 0.444 648 R N 2.454 122.980 120.500 0.043 0.000 2.585 648 R HA -0.003 4.339 4.340 0.003 0.000 0.275 648 R C 0.101 176.425 176.300 0.041 0.000 1.018 648 R CA -0.240 55.887 56.100 0.045 0.000 1.072 648 R CB 0.175 30.504 30.300 0.048 0.000 0.953 648 R HN 0.080 nan 8.270 nan 0.000 0.419 649 K N 2.812 123.240 120.400 0.046 0.000 2.326 649 K HA 0.111 4.433 4.320 0.003 0.000 0.275 649 K C -0.739 175.898 176.600 0.062 0.000 1.018 649 K CA -0.599 55.717 56.287 0.048 0.000 0.962 649 K CB 0.819 33.346 32.500 0.044 0.000 0.953 649 K HN 0.376 nan 8.250 nan 0.000 0.475 650 K N 2.805 123.242 120.400 0.062 0.000 2.297 650 K HA 0.099 4.421 4.320 0.003 0.000 0.286 650 K C -0.365 176.296 176.600 0.103 0.000 1.053 650 K CA -0.378 55.959 56.287 0.082 0.000 0.940 650 K CB 1.073 33.607 32.500 0.058 0.000 1.019 650 K HN 0.857 nan 8.250 nan 0.000 0.475 651 T N -1.254 113.383 114.554 0.138 0.000 3.155 651 T HA 0.271 4.623 4.350 0.003 0.000 0.384 651 T C 0.256 175.068 174.700 0.187 0.000 1.351 651 T CA -0.825 61.362 62.100 0.144 0.000 1.198 651 T CB 0.063 68.993 68.868 0.102 0.000 1.106 651 T HN 0.120 nan 8.240 nan 0.000 0.564 652 V N 2.802 122.814 119.914 0.164 0.000 2.901 652 V HA 0.389 4.511 4.120 0.003 0.000 0.307 652 V C 1.456 177.670 176.094 0.200 0.000 1.084 652 V CA -0.356 62.035 62.300 0.151 0.000 1.184 652 V CB -0.078 31.805 31.823 0.099 0.000 0.941 652 V HN 1.112 nan 8.190 nan 0.000 0.493 653 A N 4.821 127.752 122.820 0.185 0.000 2.565 653 A HA 0.283 4.605 4.320 0.003 0.000 0.237 653 A C 1.072 178.745 177.584 0.147 0.000 1.053 653 A CA 0.114 52.277 52.037 0.208 0.000 0.755 653 A CB -0.663 18.408 19.000 0.118 0.000 0.980 653 A HN 1.259 nan 8.150 nan 0.000 0.506 654 L N -0.211 121.088 121.223 0.125 0.000 4.436 654 L HA -0.329 4.012 4.340 0.003 0.000 0.436 654 L C 2.052 178.795 176.870 -0.212 0.000 1.128 654 L CA 1.270 56.001 54.840 -0.182 0.000 0.973 654 L CB -1.249 40.801 42.059 -0.016 0.000 1.899 654 L HN 0.986 nan 8.230 nan 0.000 1.002 655 R N 1.079 121.566 120.500 -0.020 0.000 2.115 655 R HA -0.158 4.184 4.340 0.003 0.000 0.230 655 R C 2.238 178.556 176.300 0.029 0.000 1.111 655 R CA 1.977 58.099 56.100 0.037 0.000 0.976 655 R CB -0.198 30.170 30.300 0.113 0.000 0.870 655 R HN 0.758 nan 8.270 nan 0.000 0.445 656 W N -0.367 121.007 121.300 0.124 0.000 2.374 656 W HA -0.191 4.471 4.660 0.003 0.000 0.288 656 W C 1.422 178.013 176.519 0.120 0.000 1.218 656 W CA 0.201 57.603 57.345 0.094 0.000 1.245 656 W CB -1.155 28.352 29.460 0.079 0.000 1.126 656 W HN 0.046 nan 8.180 nan 0.000 0.545 657 F N 2.791 122.221 119.950 -0.867 0.000 2.206 657 F HA 0.154 4.683 4.527 0.003 0.000 0.298 657 F C 2.518 178.104 175.800 -0.357 0.000 1.090 657 F CA 2.147 59.693 58.000 -0.756 0.000 1.323 657 F CB -0.740 37.575 39.000 -1.141 0.000 1.028 657 F HN -0.106 nan 8.300 nan 0.000 0.492 658 A N -0.187 122.439 122.820 -0.323 0.000 1.968 658 A HA -0.089 4.233 4.320 0.003 0.000 0.217 658 A C 1.909 179.348 177.584 -0.242 0.000 1.169 658 A CA 1.429 53.303 52.037 -0.270 0.000 0.638 658 A CB -0.629 18.433 19.000 0.103 0.000 0.812 658 A HN 0.524 nan 8.150 nan 0.000 0.446 659 E N -0.974 119.148 120.200 -0.130 0.000 2.463 659 E HA 0.277 4.629 4.350 0.003 0.000 0.193 659 E C 0.844 177.402 176.600 -0.071 0.000 1.041 659 E CA 0.111 56.469 56.400 -0.069 0.000 0.879 659 E CB -0.071 29.634 29.700 0.008 0.000 0.997 659 E HN 0.646 nan 8.360 nan 0.000 0.478 660 G N 3.035 111.752 108.800 -0.138 0.000 2.283 660 G HA2 -0.353 3.609 3.960 0.003 0.000 0.280 660 G HA3 -0.353 3.609 3.960 0.003 0.000 0.280 660 G C 0.238 175.165 174.900 0.046 0.000 1.029 660 G CA 1.096 46.146 45.100 -0.084 0.000 0.840 660 G HN 0.358 nan 8.290 nan 0.000 0.505 661 R N -1.378 119.207 120.500 0.142 0.000 3.006 661 R HA 0.744 5.085 4.340 0.003 0.000 0.235 661 R C -0.400 176.043 176.300 0.239 0.000 1.362 661 R CA -1.057 55.135 56.100 0.153 0.000 1.067 661 R CB 0.901 31.271 30.300 0.117 0.000 1.396 661 R HN 0.098 nan 8.270 nan 0.000 0.504 662 E N 1.722 121.984 120.200 0.103 0.000 2.392 662 E HA 0.021 4.373 4.350 0.003 0.000 0.264 662 E C -0.515 175.973 176.600 -0.186 0.000 1.024 662 E CA -0.253 56.134 56.400 -0.021 0.000 0.903 662 E CB 0.575 30.228 29.700 -0.077 0.000 0.963 662 E HN 0.241 nan 8.360 nan 0.000 0.432 663 K N 3.108 123.115 120.400 -0.656 0.000 2.511 663 K HA -0.111 4.211 4.320 0.003 0.000 0.280 663 K C -0.392 175.784 176.600 -0.706 0.000 1.008 663 K CA 0.520 55.933 56.287 -1.456 0.000 1.050 663 K CB 0.341 31.944 32.500 -1.496 0.000 0.889 663 K HN 0.663 nan 8.250 nan 0.000 0.484 664 D N 1.402 121.459 120.400 -0.571 0.000 2.539 664 D HA -0.016 4.626 4.640 0.003 0.000 0.232 664 D C 0.328 176.524 176.300 -0.174 0.000 1.256 664 D CA -0.301 53.557 54.000 -0.238 0.000 0.810 664 D CB -0.038 40.720 40.800 -0.070 0.000 1.090 664 D HN 0.493 nan 8.370 nan 0.000 0.519 665 T N -2.499 111.919 114.554 -0.227 0.000 2.897 665 T HA 0.511 4.863 4.350 0.003 0.000 0.278 665 T C -2.096 172.396 174.700 -0.346 0.000 0.981 665 T CA -1.543 60.410 62.100 -0.245 0.000 0.973 665 T CB 1.923 70.701 68.868 -0.150 0.000 1.092 665 T HN -0.355 nan 8.240 nan 0.000 0.543 666 P HA 0.197 nan 4.420 nan 0.000 0.249 666 P C -0.081 177.168 177.300 -0.085 0.000 1.241 666 P CA -0.034 62.852 63.100 -0.356 0.000 0.781 666 P CB -0.119 31.347 31.700 -0.391 0.000 1.088 667 D N -0.985 119.377 120.400 -0.063 0.000 2.449 667 D HA -0.101 4.541 4.640 0.003 0.000 0.236 667 D C 0.264 176.709 176.300 0.241 0.000 1.149 667 D CA 0.078 54.273 54.000 0.325 0.000 0.878 667 D CB 0.377 41.449 40.800 0.453 0.000 1.198 667 D HN 0.024 nan 8.370 nan 0.000 0.446 668 W N 2.151 123.342 121.300 -0.182 0.000 3.310 668 W HA 0.332 4.994 4.660 0.003 0.000 0.259 668 W C 0.933 176.918 176.519 -0.889 0.000 1.324 668 W CA -0.153 56.938 57.345 -0.424 0.000 1.636 668 W CB -0.525 28.593 29.460 -0.571 0.000 1.104 668 W HN 0.373 nan 8.180 nan 0.000 0.722 669 G N -0.696 107.423 108.800 -1.134 0.000 2.600 669 G HA2 0.464 4.426 3.960 0.003 0.000 0.293 669 G HA3 0.464 4.426 3.960 0.003 0.000 0.293 669 G C -3.083 171.112 174.900 -1.176 0.000 1.408 669 G CA -1.134 42.837 45.100 -1.881 0.000 0.782 669 G HN -0.413 nan 8.290 nan 0.000 0.482 670 P HA 0.309 nan 4.420 nan 0.000 0.276 670 P C -0.476 176.511 177.300 -0.521 0.000 1.244 670 P CA -0.404 62.186 63.100 -0.851 0.000 0.801 670 P CB 1.226 32.791 31.700 -0.225 0.000 1.006 671 R N 0.983 121.269 120.500 -0.356 0.000 2.543 671 R HA 0.157 4.499 4.340 0.003 0.000 0.277 671 R C 1.816 178.016 176.300 -0.167 0.000 1.074 671 R CA -0.420 55.547 56.100 -0.222 0.000 1.076 671 R CB 0.073 30.297 30.300 -0.128 0.000 0.993 671 R HN 0.489 nan 8.270 nan 0.000 0.459 672 L N 2.326 123.455 121.223 -0.156 0.000 2.064 672 L HA -0.332 4.010 4.340 0.003 0.000 0.216 672 L C 1.806 178.622 176.870 -0.090 0.000 1.077 672 L CA 2.282 57.045 54.840 -0.128 0.000 0.766 672 L CB -0.696 41.290 42.059 -0.123 0.000 0.890 672 L HN 0.766 nan 8.230 nan 0.000 0.435 673 N N -1.070 117.585 118.700 -0.075 0.000 2.550 673 N HA -0.167 4.575 4.740 0.003 0.000 0.186 673 N C 0.905 176.392 175.510 -0.038 0.000 1.110 673 N CA 0.884 53.904 53.050 -0.049 0.000 0.912 673 N CB -0.358 38.107 38.487 -0.037 0.000 0.968 673 N HN 0.407 nan 8.380 nan 0.000 0.448 674 N N -0.775 117.896 118.700 -0.048 0.000 2.273 674 N HA 0.158 4.900 4.740 0.003 0.000 0.231 674 N C -0.822 174.673 175.510 -0.026 0.000 1.134 674 N CA -0.222 52.810 53.050 -0.030 0.000 0.856 674 N CB 0.384 38.857 38.487 -0.024 0.000 1.068 674 N HN 0.285 nan 8.380 nan 0.000 0.510 675 Q N -0.290 119.489 119.800 -0.034 0.000 2.553 675 Q HA 0.469 4.811 4.340 0.003 0.000 0.293 675 Q C -1.390 174.600 176.000 -0.016 0.000 1.038 675 Q CA -0.858 54.933 55.803 -0.019 0.000 0.777 675 Q CB 2.904 31.614 28.738 -0.046 0.000 1.487 675 Q HN -0.108 nan 8.270 nan 0.000 0.426 676 V N 0.975 120.889 119.914 0.001 0.000 2.350 676 V HA 0.148 4.270 4.120 0.003 0.000 0.285 676 V C -0.304 175.787 176.094 -0.006 0.000 1.014 676 V CA -0.487 61.812 62.300 -0.002 0.000 0.831 676 V CB 1.078 32.907 31.823 0.010 0.000 1.000 676 V HN 1.055 nan 8.190 nan 0.000 0.433 677 C N 5.607 124.893 119.300 -0.024 0.000 4.167 677 C HA -0.141 4.321 4.460 0.003 0.000 0.302 677 C C 1.418 176.384 174.990 -0.039 0.000 1.384 677 C CA 0.783 59.783 59.018 -0.031 0.000 2.041 677 C CB -2.318 25.411 27.740 -0.018 0.000 1.303 677 C HN 1.202 nan 8.230 nan 0.000 0.718 678 R N -1.452 119.012 120.500 -0.061 0.000 3.184 678 R HA -0.241 4.101 4.340 0.003 0.000 0.242 678 R C -0.515 175.741 176.300 -0.073 0.000 0.907 678 R CA 1.654 57.694 56.100 -0.099 0.000 0.618 678 R CB -1.551 28.658 30.300 -0.152 0.000 1.016 678 R HN 0.796 nan 8.270 nan 0.000 0.469 679 K N 0.170 120.583 120.400 0.022 0.000 2.435 679 K HA 0.683 5.005 4.320 0.003 0.000 0.251 679 K C 0.266 177.016 176.600 0.250 0.000 0.954 679 K CA -0.422 55.958 56.287 0.156 0.000 0.820 679 K CB 2.304 34.880 32.500 0.127 0.000 1.292 679 K HN 0.446 nan 8.250 nan 0.000 0.436 680 G N 0.905 110.006 108.800 0.500 0.000 2.795 680 G HA2 -0.204 3.758 3.960 0.003 0.000 0.664 680 G HA3 -0.204 3.758 3.960 0.003 0.000 0.664 680 G C -0.613 174.486 174.900 0.332 0.000 1.381 680 G CA -0.938 44.432 45.100 0.451 0.000 0.853 680 G HN 0.395 nan 8.290 nan 0.000 0.545 681 L N 0.034 121.304 121.223 0.079 0.000 2.479 681 L HA 0.359 4.701 4.340 0.003 0.000 0.249 681 L C 2.213 179.066 176.870 -0.028 0.000 1.178 681 L CA 0.037 54.804 54.840 -0.121 0.000 0.811 681 L CB 0.683 42.544 42.059 -0.331 0.000 1.187 681 L HN 0.886 nan 8.230 nan 0.000 0.480 682 Q N 0.231 119.997 119.800 -0.057 0.000 2.364 682 Q HA -0.083 4.259 4.340 0.003 0.000 0.209 682 Q C 0.524 176.524 176.000 0.001 0.000 0.977 682 Q CA 0.826 56.633 55.803 0.007 0.000 0.885 682 Q CB 0.017 28.804 28.738 0.082 0.000 0.941 682 Q HN 0.840 nan 8.270 nan 0.000 0.464 683 T N -2.268 112.283 114.554 -0.005 0.000 2.855 683 T HA -0.001 4.351 4.350 0.003 0.000 0.322 683 T C 1.048 175.759 174.700 0.019 0.000 1.088 683 T CA 0.198 62.310 62.100 0.021 0.000 1.104 683 T CB 0.998 69.893 68.868 0.046 0.000 0.996 683 T HN 0.052 nan 8.240 nan 0.000 0.549 684 T N 1.924 116.488 114.554 0.016 0.000 2.607 684 T HA -0.191 4.161 4.350 0.003 0.000 0.267 684 T C 2.366 177.060 174.700 -0.010 0.000 1.049 684 T CA 2.480 64.581 62.100 0.002 0.000 1.162 684 T CB -1.087 67.779 68.868 -0.004 0.000 0.863 684 T HN 1.011 nan 8.240 nan 0.000 0.424 685 T N -1.075 113.458 114.554 -0.034 0.000 2.915 685 T HA 0.190 4.542 4.350 0.003 0.000 0.269 685 T C 1.833 176.555 174.700 0.038 0.000 1.071 685 T CA 1.406 63.483 62.100 -0.039 0.000 1.132 685 T CB -0.544 68.253 68.868 -0.117 0.000 0.878 685 T HN 0.694 nan 8.240 nan 0.000 0.479 686 G N 0.960 109.798 108.800 0.063 0.000 2.141 686 G HA2 -0.192 3.770 3.960 0.003 0.000 0.231 686 G HA3 -0.192 3.770 3.960 0.003 0.000 0.231 686 G C -0.055 174.967 174.900 0.203 0.000 0.984 686 G CA 0.309 45.476 45.100 0.111 0.000 0.660 686 G HN 0.753 nan 8.290 nan 0.000 0.525 687 K N -1.064 119.453 120.400 0.195 0.000 2.331 687 K HA 0.717 5.039 4.320 0.003 0.000 0.238 687 K C -0.091 176.667 176.600 0.263 0.000 1.058 687 K CA -1.024 55.449 56.287 0.310 0.000 0.871 687 K CB 1.978 34.647 32.500 0.280 0.000 1.292 687 K HN 0.005 nan 8.250 nan 0.000 0.470 688 V N 2.729 122.846 119.914 0.338 0.000 2.387 688 V HA 0.026 4.148 4.120 0.003 0.000 0.260 688 V C -0.364 175.860 176.094 0.217 0.000 1.054 688 V CA 0.115 62.545 62.300 0.217 0.000 0.967 688 V CB -0.011 31.951 31.823 0.231 0.000 1.036 688 V HN 0.558 nan 8.190 nan 0.000 0.481 689 E N 5.047 125.332 120.200 0.141 0.000 1.941 689 E HA 0.165 4.517 4.350 0.003 0.000 0.275 689 E C 0.076 176.729 176.600 0.089 0.000 1.113 689 E CA -0.179 56.363 56.400 0.237 0.000 0.878 689 E CB 0.391 30.236 29.700 0.242 0.000 1.070 689 E HN 0.613 nan 8.360 nan 0.000 0.399 690 F N 1.379 121.352 119.950 0.037 0.000 2.333 690 F HA -0.030 4.499 4.527 0.003 0.000 0.300 690 F C 1.087 176.903 175.800 0.027 0.000 1.083 690 F CA 0.721 58.666 58.000 -0.092 0.000 1.395 690 F CB 0.113 39.001 39.000 -0.185 0.000 1.056 690 F HN 0.338 nan 8.300 nan 0.000 0.529 691 I N 0.424 121.149 120.570 0.258 0.000 2.537 691 I HA 0.316 4.488 4.170 0.003 0.000 0.276 691 I C -0.080 176.177 176.117 0.233 0.000 1.063 691 I CA -0.887 60.539 61.300 0.210 0.000 1.144 691 I CB 0.739 38.842 38.000 0.171 0.000 1.252 691 I HN -0.177 nan 8.210 nan 0.000 0.480 692 A N 3.739 126.662 122.820 0.172 0.000 2.545 692 A HA 0.180 4.502 4.320 0.003 0.000 0.253 692 A C 1.570 179.247 177.584 0.154 0.000 1.074 692 A CA 0.367 52.501 52.037 0.161 0.000 0.760 692 A CB 0.032 19.112 19.000 0.133 0.000 1.005 692 A HN 0.843 nan 8.150 nan 0.000 0.506 693 T N 0.612 115.257 114.554 0.152 0.000 2.867 693 T HA -0.188 4.164 4.350 0.003 0.000 0.268 693 T C 1.981 176.745 174.700 0.107 0.000 1.057 693 T CA 1.619 63.792 62.100 0.122 0.000 1.136 693 T CB -0.697 68.217 68.868 0.076 0.000 0.874 693 T HN 1.062 nan 8.240 nan 0.000 0.466 694 S N 2.642 118.408 115.700 0.109 0.000 2.353 694 S HA -0.031 4.441 4.470 0.003 0.000 0.222 694 S C 2.111 176.753 174.600 0.070 0.000 1.035 694 S CA 1.123 59.384 58.200 0.102 0.000 1.025 694 S CB -1.097 62.209 63.200 0.177 0.000 0.902 694 S HN 0.499 nan 8.310 nan 0.000 0.440 695 L N 1.290 122.516 121.223 0.004 0.000 2.141 695 L HA 0.014 4.356 4.340 0.003 0.000 0.209 695 L C 2.919 179.879 176.870 0.150 0.000 1.094 695 L CA 1.397 56.254 54.840 0.028 0.000 0.763 695 L CB -0.451 41.569 42.059 -0.066 0.000 0.908 695 L HN 0.385 nan 8.230 nan 0.000 0.437 696 K N 0.612 121.085 120.400 0.122 0.000 2.097 696 K HA -0.174 4.148 4.320 0.003 0.000 0.206 696 K C 1.742 178.416 176.600 0.123 0.000 1.049 696 K CA 1.602 57.961 56.287 0.121 0.000 0.933 696 K CB -0.006 32.567 32.500 0.121 0.000 0.717 696 K HN 0.399 nan 8.250 nan 0.000 0.442 697 N N -0.398 118.383 118.700 0.134 0.000 2.106 697 N HA -0.166 4.576 4.740 0.003 0.000 0.188 697 N C 1.679 177.298 175.510 0.182 0.000 1.029 697 N CA 1.066 54.197 53.050 0.134 0.000 0.848 697 N CB -0.195 38.367 38.487 0.126 0.000 1.007 697 N HN 0.064 nan 8.380 nan 0.000 0.423 698 F N 2.681 122.647 119.950 0.026 0.000 2.065 698 F HA -0.232 4.297 4.527 0.003 0.000 0.298 698 F C 2.305 178.172 175.800 0.112 0.000 1.112 698 F CA 1.670 59.685 58.000 0.025 0.000 1.212 698 F CB -0.426 38.534 39.000 -0.066 0.000 0.975 698 F HN 0.156 nan 8.300 nan 0.000 0.476 699 E N -0.599 119.641 120.200 0.066 0.000 2.150 699 E HA -0.196 4.156 4.350 0.003 0.000 0.193 699 E C 1.774 178.355 176.600 -0.032 0.000 0.985 699 E CA 1.431 57.812 56.400 -0.031 0.000 0.814 699 E CB -0.748 28.982 29.700 0.050 0.000 0.752 699 E HN 0.581 nan 8.360 nan 0.000 0.466 700 E N 0.925 121.135 120.200 0.016 0.000 2.347 700 E HA -0.109 4.243 4.350 0.003 0.000 0.196 700 E C 1.658 178.249 176.600 -0.016 0.000 1.008 700 E CA 0.494 56.898 56.400 0.007 0.000 0.852 700 E CB 0.032 29.753 29.700 0.035 0.000 0.783 700 E HN 0.370 nan 8.360 nan 0.000 0.505 701 Q N -0.611 119.185 119.800 -0.006 0.000 2.444 701 Q HA 0.061 4.403 4.340 0.003 0.000 0.206 701 Q C 0.985 176.874 176.000 -0.185 0.000 0.948 701 Q CA 0.482 56.279 55.803 -0.010 0.000 0.946 701 Q CB 0.764 29.587 28.738 0.141 0.000 1.027 701 Q HN 0.395 nan 8.270 nan 0.000 0.513 702 G N -0.224 108.434 108.800 -0.236 0.000 2.201 702 G HA2 -0.265 3.697 3.960 0.003 0.000 0.212 702 G HA3 -0.265 3.697 3.960 0.003 0.000 0.212 702 G C -0.253 174.347 174.900 -0.501 0.000 0.994 702 G CA -0.529 44.355 45.100 -0.360 0.000 0.644 702 G HN 0.362 nan 8.290 nan 0.000 0.508 703 Y N 2.144 122.139 120.300 -0.508 0.000 2.735 703 Y HA 0.449 5.001 4.550 0.003 0.000 0.354 703 Y C 1.107 176.818 175.900 -0.315 0.000 1.288 703 Y CA -0.975 56.711 58.100 -0.690 0.000 1.836 703 Y CB -0.009 37.247 38.460 -2.007 0.000 1.920 703 Y HN 0.077 nan 8.280 nan 0.000 0.438 704 I N 2.183 122.764 120.570 0.019 0.000 2.598 704 I HA -0.026 4.146 4.170 0.003 0.000 0.284 704 I C 0.108 176.360 176.117 0.226 0.000 1.140 704 I CA 0.317 61.672 61.300 0.092 0.000 1.420 704 I CB 0.471 38.494 38.000 0.038 0.000 1.387 704 I HN 0.433 nan 8.210 nan 0.000 0.553 705 D N 5.462 126.005 120.400 0.239 0.000 2.358 705 D HA 0.118 4.760 4.640 0.003 0.000 0.253 705 D C 0.830 177.235 176.300 0.174 0.000 1.288 705 D CA -0.377 53.778 54.000 0.257 0.000 0.950 705 D CB 0.874 41.947 40.800 0.454 0.000 1.197 705 D HN 0.600 nan 8.370 nan 0.000 0.550 706 E N 1.605 121.870 120.200 0.109 0.000 2.097 706 E HA -0.253 4.099 4.350 0.003 0.000 0.196 706 E C 0.290 176.844 176.600 -0.076 0.000 1.000 706 E CA 1.299 57.697 56.400 -0.003 0.000 0.804 706 E CB 0.093 29.755 29.700 -0.062 0.000 0.740 706 E HN 0.538 nan 8.360 nan 0.000 0.454 707 H N -0.895 118.249 119.070 0.122 0.000 2.645 707 H HA 0.254 4.812 4.556 0.003 0.000 0.300 707 H C -0.099 175.328 175.328 0.164 0.000 1.065 707 H CA 0.334 56.477 56.048 0.158 0.000 1.173 707 H CB 0.148 30.038 29.762 0.214 0.000 1.383 707 H HN -0.098 nan 8.280 nan 0.000 0.566 708 R N 1.202 121.826 120.500 0.206 0.000 3.021 708 R HA 0.102 4.444 4.340 0.003 0.000 0.206 708 R C -3.326 173.073 176.300 0.166 0.000 1.593 708 R CA -1.235 54.985 56.100 0.199 0.000 1.243 708 R CB 0.650 31.093 30.300 0.239 0.000 1.573 708 R HN 0.129 nan 8.270 nan 0.000 0.640 709 P HA 0.098 nan 4.420 nan 0.000 0.278 709 P C 0.665 178.028 177.300 0.105 0.000 1.238 709 P CA -0.125 63.035 63.100 0.101 0.000 0.794 709 P CB 1.675 33.410 31.700 0.058 0.000 0.955 710 S N 2.587 118.347 115.700 0.100 0.000 2.387 710 S HA -0.156 4.316 4.470 0.003 0.000 0.230 710 S C 1.140 175.810 174.600 0.116 0.000 1.035 710 S CA 0.837 59.096 58.200 0.099 0.000 1.014 710 S CB -0.649 62.614 63.200 0.106 0.000 0.836 710 S HN 0.619 nan 8.310 nan 0.000 0.466 711 M N 2.484 122.153 119.600 0.115 0.000 2.233 711 M HA 0.275 4.757 4.480 0.003 0.000 0.355 711 M C -0.363 176.054 176.300 0.195 0.000 1.191 711 M CA -0.647 54.748 55.300 0.157 0.000 1.101 711 M CB 0.856 33.528 32.600 0.121 0.000 1.592 711 M HN 0.348 nan 8.290 nan 0.000 0.461 712 H N 4.282 123.453 119.070 0.168 0.000 3.082 712 H HA 0.314 4.872 4.556 0.003 0.000 0.275 712 H C -0.948 174.690 175.328 0.517 0.000 1.032 712 H CA 0.759 56.952 56.048 0.243 0.000 1.477 712 H CB 0.119 29.921 29.762 0.067 0.000 1.520 712 H HN 0.736 nan 8.280 nan 0.000 0.521 713 T N 1.597 116.272 114.554 0.202 0.000 2.812 713 T HA 0.171 4.523 4.350 0.003 0.000 0.294 713 T C -0.790 174.092 174.700 0.303 0.000 1.159 713 T CA -1.040 61.026 62.100 -0.058 0.000 1.008 713 T CB 0.514 69.033 68.868 -0.581 0.000 1.289 713 T HN 0.468 nan 8.240 nan 0.000 0.514 714 Y N 2.025 122.315 120.300 -0.016 0.000 2.594 714 Y HA 0.488 5.040 4.550 0.003 0.000 0.344 714 Y C -0.396 175.656 175.900 0.252 0.000 1.185 714 Y CA -0.777 57.459 58.100 0.226 0.000 1.565 714 Y CB -0.624 37.832 38.460 -0.008 0.000 1.415 714 Y HN 0.523 nan 8.280 nan 0.000 0.488 715 V N 8.586 128.533 119.914 0.055 0.000 2.432 715 V HA 0.217 4.339 4.120 0.003 0.000 0.271 715 V C -2.026 173.972 176.094 -0.160 0.000 1.046 715 V CA -1.969 60.313 62.300 -0.030 0.000 0.945 715 V CB 0.827 32.685 31.823 0.058 0.000 0.992 715 V HN 0.623 nan 8.190 nan 0.000 0.471 716 P HA 0.189 nan 4.420 nan 0.000 0.271 716 P C -0.157 177.165 177.300 0.037 0.000 1.226 716 P CA 0.018 62.961 63.100 -0.263 0.000 0.765 716 P CB 0.534 31.938 31.700 -0.493 0.000 0.835 717 A N 5.411 128.271 122.820 0.068 0.000 2.561 717 A HA -0.042 4.280 4.320 0.003 0.000 0.251 717 A C 1.389 178.983 177.584 0.018 0.000 1.062 717 A CA -0.346 51.678 52.037 -0.022 0.000 0.761 717 A CB -0.458 18.472 19.000 -0.116 0.000 0.986 717 A HN 0.827 nan 8.150 nan 0.000 0.510 718 W N 1.872 123.236 121.300 0.107 0.000 2.468 718 W HA -0.030 4.632 4.660 0.003 0.000 0.262 718 W C 0.195 176.746 176.519 0.054 0.000 1.241 718 W CA 0.803 58.182 57.345 0.057 0.000 1.232 718 W CB -0.234 29.149 29.460 -0.129 0.000 1.124 718 W HN 0.745 nan 8.180 nan 0.000 0.597 719 E N 2.114 122.228 120.200 -0.143 0.000 3.303 719 E HA 0.210 4.562 4.350 0.003 0.000 0.215 719 E C -0.617 175.920 176.600 -0.104 0.000 1.181 719 E CA -0.194 56.175 56.400 -0.052 0.000 0.998 719 E CB 0.346 29.941 29.700 -0.174 0.000 1.312 719 E HN 0.065 nan 8.360 nan 0.000 0.412 720 S N 1.018 116.718 115.700 0.000 0.000 2.634 720 S HA 0.275 4.747 4.470 0.003 0.000 0.296 720 S C 0.887 175.489 174.600 0.004 0.000 1.104 720 S CA -0.794 57.400 58.200 -0.011 0.000 0.920 720 S CB 1.640 64.870 63.200 0.050 0.000 1.111 720 S HN 0.359 nan 8.310 nan 0.000 0.493 721 Q N 0.695 120.473 119.800 -0.035 0.000 2.167 721 Q HA -0.080 4.262 4.340 0.003 0.000 0.202 721 Q C 1.516 177.460 176.000 -0.093 0.000 0.970 721 Q CA 1.486 57.259 55.803 -0.050 0.000 0.855 721 Q CB -0.333 28.369 28.738 -0.060 0.000 0.911 721 Q HN 0.865 nan 8.270 nan 0.000 0.438 722 K N -1.350 118.932 120.400 -0.196 0.000 2.358 722 K HA 0.095 4.417 4.320 0.003 0.000 0.200 722 K C 0.655 176.986 176.600 -0.448 0.000 1.030 722 K CA 0.168 56.255 56.287 -0.333 0.000 1.097 722 K CB 0.572 32.807 32.500 -0.440 0.000 0.862 722 K HN 0.128 nan 8.250 nan 0.000 0.534 723 H N -0.533 118.571 119.070 0.057 0.000 3.400 723 H HA 0.155 4.712 4.556 0.003 0.000 0.251 723 H C -0.122 175.267 175.328 0.102 0.000 1.040 723 H CA -0.203 55.898 56.048 0.087 0.000 1.175 723 H CB 0.995 30.824 29.762 0.113 0.000 1.487 723 H HN 0.117 nan 8.280 nan 0.000 0.505 724 S N 2.404 118.215 115.700 0.185 0.000 2.513 724 S HA 0.163 4.635 4.470 0.003 0.000 0.276 724 S C -1.661 173.009 174.600 0.116 0.000 1.254 724 S CA -1.288 57.015 58.200 0.172 0.000 1.053 724 S CB 1.327 64.629 63.200 0.171 0.000 0.958 724 S HN -0.047 nan 8.310 nan 0.000 0.491 725 P HA -0.011 nan 4.420 nan 0.000 0.228 725 P C 1.058 178.390 177.300 0.054 0.000 1.151 725 P CA 0.229 63.372 63.100 0.071 0.000 0.770 725 P CB 0.176 31.918 31.700 0.071 0.000 0.786 726 L N -0.363 120.913 121.223 0.089 0.000 2.131 726 L HA 0.048 4.390 4.340 0.003 0.000 0.206 726 L C 2.296 179.197 176.870 0.052 0.000 1.087 726 L CA 1.304 56.206 54.840 0.104 0.000 0.767 726 L CB -1.768 40.411 42.059 0.201 0.000 0.917 726 L HN -0.096 nan 8.230 nan 0.000 0.441 727 A N -0.982 121.871 122.820 0.054 0.000 2.032 727 A HA -0.193 4.129 4.320 0.003 0.000 0.221 727 A C 2.317 179.876 177.584 -0.042 0.000 1.165 727 A CA 1.876 53.925 52.037 0.020 0.000 0.645 727 A CB -0.882 18.123 19.000 0.009 0.000 0.807 727 A HN 0.260 nan 8.150 nan 0.000 0.453 728 V N -0.262 119.616 119.914 -0.060 0.000 2.392 728 V HA -0.275 3.847 4.120 0.003 0.000 0.249 728 V C 2.442 178.441 176.094 -0.159 0.000 1.059 728 V CA 2.403 64.653 62.300 -0.084 0.000 1.051 728 V CB -0.580 31.204 31.823 -0.065 0.000 0.658 728 V HN 0.553 nan 8.190 nan 0.000 0.455 729 K N -1.164 119.055 120.400 -0.301 0.000 2.098 729 K HA 0.028 4.350 4.320 0.003 0.000 0.203 729 K C -0.060 176.145 176.600 -0.658 0.000 1.051 729 K CA 0.738 56.670 56.287 -0.592 0.000 0.957 729 K CB 0.166 32.041 32.500 -1.040 0.000 0.738 729 K HN 0.483 nan 8.250 nan 0.000 0.447 730 Y N 0.876 121.149 120.300 -0.044 0.000 2.805 730 Y HA 0.215 4.767 4.550 0.003 0.000 0.339 730 Y C -1.972 173.884 175.900 -0.073 0.000 1.012 730 Y CA -2.894 55.149 58.100 -0.096 0.000 1.262 730 Y CB 0.997 39.385 38.460 -0.120 0.000 1.100 730 Y HN 0.036 nan 8.280 nan 0.000 0.559 731 P HA -0.068 nan 4.420 nan 0.000 0.233 731 P C 0.003 177.301 177.300 -0.004 0.000 1.167 731 P CA 0.806 63.906 63.100 -0.000 0.000 0.770 731 P CB 0.867 32.556 31.700 -0.017 0.000 0.837 732 L N 0.290 121.512 121.223 -0.002 0.000 2.305 732 L HA 0.451 4.793 4.340 0.003 0.000 0.281 732 L C 1.086 177.942 176.870 -0.025 0.000 1.085 732 L CA -0.675 54.154 54.840 -0.020 0.000 0.813 732 L CB 0.975 43.015 42.059 -0.032 0.000 1.157 732 L HN -0.107 nan 8.230 nan 0.000 0.436 733 G N 4.246 113.030 108.800 -0.027 0.000 2.329 733 G HA2 0.512 4.474 3.960 0.003 0.000 0.309 733 G HA3 0.512 4.474 3.960 0.003 0.000 0.309 733 G C -0.656 174.222 174.900 -0.036 0.000 1.110 733 G CA -0.476 44.604 45.100 -0.034 0.000 0.923 733 G HN 0.562 nan 8.290 nan 0.000 0.430 734 M N 3.975 123.545 119.600 -0.051 0.000 2.364 734 M HA 0.706 5.188 4.480 0.003 0.000 0.334 734 M C -0.913 175.349 176.300 -0.064 0.000 1.107 734 M CA -1.005 54.259 55.300 -0.060 0.000 0.988 734 M CB 1.651 34.204 32.600 -0.079 0.000 1.673 734 M HN 0.466 nan 8.290 nan 0.000 0.441 735 L N 2.829 124.010 121.223 -0.070 0.000 2.362 735 L HA 0.860 5.202 4.340 0.003 0.000 0.271 735 L C -0.872 175.896 176.870 -0.171 0.000 1.002 735 L CA -0.582 54.217 54.840 -0.068 0.000 0.818 735 L CB 2.161 44.221 42.059 0.002 0.000 1.298 735 L HN 0.785 nan 8.230 nan 0.000 0.420 736 S N 0.847 116.476 115.700 -0.118 0.000 2.204 736 S HA 0.553 5.025 4.470 0.003 0.000 0.147 736 S C -2.623 171.997 174.600 0.034 0.000 1.711 736 S CA -1.082 57.039 58.200 -0.131 0.000 1.274 736 S CB 0.354 63.516 63.200 -0.064 0.000 1.257 736 S HN 0.547 nan 8.310 nan 0.000 0.404 737 P HA 0.137 nan 4.420 nan 0.000 0.280 737 P C -0.103 177.448 177.300 0.418 0.000 1.278 737 P CA -0.279 62.984 63.100 0.271 0.000 0.787 737 P CB 0.223 32.120 31.700 0.328 0.000 1.163 738 H N 0.423 119.521 119.070 0.046 0.000 2.732 738 H HA 0.105 4.663 4.556 0.003 0.000 0.351 738 H C -1.634 173.466 175.328 -0.380 0.000 1.090 738 H CA -1.805 54.143 56.048 -0.166 0.000 1.431 738 H CB -0.288 29.282 29.762 -0.321 0.000 1.447 738 H HN 0.351 nan 8.280 nan 0.000 0.582 739 P HA -0.088 nan 4.420 nan 0.000 0.263 739 P C 0.560 177.484 177.300 -0.626 0.000 1.195 739 P CA -0.001 62.804 63.100 -0.491 0.000 0.762 739 P CB 1.027 32.734 31.700 0.012 0.000 0.799 740 R N 4.141 124.042 120.500 -0.998 0.000 2.096 740 R HA -0.056 4.286 4.340 0.003 0.000 0.235 740 R C 0.843 176.691 176.300 -0.753 0.000 1.127 740 R CA 1.720 57.305 56.100 -0.859 0.000 0.968 740 R CB -0.967 28.715 30.300 -1.031 0.000 0.861 740 R HN 0.446 nan 8.270 nan 0.000 0.440 741 F N 0.070 119.962 119.950 -0.096 0.000 2.925 741 F HA 0.461 4.990 4.527 0.003 0.000 0.302 741 F C -0.081 175.707 175.800 -0.020 0.000 1.189 741 F CA -0.295 57.663 58.000 -0.071 0.000 1.346 741 F CB 0.596 39.475 39.000 -0.202 0.000 0.954 741 F HN -0.031 nan 8.300 nan 0.000 0.506 742 S N 0.733 116.519 115.700 0.144 0.000 2.565 742 S HA 0.395 4.867 4.470 0.003 0.000 0.274 742 S C -1.269 173.015 174.600 -0.527 0.000 1.144 742 S CA -0.710 57.451 58.200 -0.067 0.000 0.849 742 S CB 1.216 64.408 63.200 -0.014 0.000 1.103 742 S HN 0.056 nan 8.310 nan 0.000 0.455 743 M N 5.293 124.316 119.600 -0.962 0.000 2.852 743 M HA 0.339 4.821 4.480 0.003 0.000 0.321 743 M C 0.319 176.393 176.300 -0.377 0.000 1.337 743 M CA 0.777 55.560 55.300 -0.861 0.000 1.406 743 M CB -1.978 30.083 32.600 -0.898 0.000 1.152 743 M HN 0.938 nan 8.290 nan 0.000 0.508 744 H N -0.037 118.846 119.070 -0.311 0.000 1.452 744 H HA -0.250 4.308 4.556 0.003 0.000 0.090 744 H C 1.109 176.335 175.328 -0.170 0.000 0.630 744 H CA 2.418 58.330 56.048 -0.227 0.000 1.901 744 H CB -1.353 28.274 29.762 -0.224 0.000 2.257 744 H HN 0.580 nan 8.280 nan 0.000 0.961 745 T N 0.511 115.063 114.554 -0.003 0.000 3.085 745 T HA 0.157 4.509 4.350 0.003 0.000 0.263 745 T C 1.304 175.892 174.700 -0.187 0.000 1.127 745 T CA 0.984 63.023 62.100 -0.102 0.000 1.103 745 T CB -0.119 68.678 68.868 -0.118 0.000 0.921 745 T HN 0.257 nan 8.240 nan 0.000 0.510 746 M N 2.034 121.534 119.600 -0.167 0.000 2.775 746 M HA 0.496 4.978 4.480 0.003 0.000 0.313 746 M C 1.267 177.429 176.300 -0.230 0.000 1.429 746 M CA 0.173 55.332 55.300 -0.235 0.000 1.494 746 M CB 0.407 32.980 32.600 -0.046 0.000 1.274 746 M HN 0.525 nan 8.290 nan 0.000 0.491 747 G N 1.205 109.825 108.800 -0.300 0.000 3.505 747 G HA2 -0.155 3.807 3.960 0.003 0.000 0.210 747 G HA3 -0.155 3.807 3.960 0.003 0.000 0.210 747 G C -0.337 174.455 174.900 -0.181 0.000 1.047 747 G CA -0.610 44.376 45.100 -0.190 0.000 0.884 747 G HN 0.546 nan 8.290 nan 0.000 0.434 748 D N 0.554 120.890 120.400 -0.107 0.000 2.329 748 D HA 0.532 5.174 4.640 0.003 0.000 0.246 748 D C 1.341 177.577 176.300 -0.107 0.000 1.111 748 D CA 1.767 55.805 54.000 0.063 0.000 0.941 748 D CB 0.814 41.760 40.800 0.243 0.000 1.169 748 D HN 1.296 nan 8.370 nan 0.000 0.441 749 G N 2.036 110.807 108.800 -0.048 0.000 2.574 749 G HA2 -0.367 3.595 3.960 0.003 0.000 0.282 749 G HA3 -0.367 3.595 3.960 0.003 0.000 0.282 749 G C 0.028 174.801 174.900 -0.211 0.000 1.257 749 G CA 0.475 45.494 45.100 -0.135 0.000 0.956 749 G HN 0.905 nan 8.290 nan 0.000 0.560 750 K N -0.958 119.318 120.400 -0.206 0.000 3.048 750 K HA -0.338 3.984 4.320 0.003 0.000 0.274 750 K C 0.673 177.188 176.600 -0.142 0.000 1.098 750 K CA 1.282 57.450 56.287 -0.200 0.000 0.807 750 K CB -1.637 30.567 32.500 -0.494 0.000 1.217 750 K HN 1.872 nan 8.250 nan 0.000 0.477 751 N N -0.029 118.593 118.700 -0.130 0.000 2.710 751 N HA -0.218 4.524 4.740 0.003 0.000 0.249 751 N C -0.169 175.244 175.510 -0.161 0.000 1.059 751 N CA 1.061 54.038 53.050 -0.121 0.000 0.720 751 N CB -0.519 37.945 38.487 -0.039 0.000 0.983 751 N HN 0.632 nan 8.380 nan 0.000 0.544 752 S N -1.430 114.131 115.700 -0.232 0.000 2.686 752 S HA 0.331 4.803 4.470 0.003 0.000 0.270 752 S C 1.193 175.684 174.600 -0.182 0.000 1.194 752 S CA -0.446 57.574 58.200 -0.301 0.000 0.990 752 S CB 0.472 63.475 63.200 -0.328 0.000 1.029 752 S HN 0.170 nan 8.310 nan 0.000 0.560 753 Y N -0.014 120.250 120.300 -0.060 0.000 2.293 753 Y HA 0.014 4.566 4.550 0.003 0.000 0.291 753 Y C 2.396 178.257 175.900 -0.066 0.000 1.137 753 Y CA 0.505 58.625 58.100 0.035 0.000 1.202 753 Y CB -1.283 37.214 38.460 0.062 0.000 0.990 753 Y HN 0.450 nan 8.280 nan 0.000 0.537 754 M N 0.247 119.845 119.600 -0.004 0.000 2.195 754 M HA -0.222 4.260 4.480 0.003 0.000 0.260 754 M C 1.607 177.789 176.300 -0.196 0.000 1.066 754 M CA 1.226 56.435 55.300 -0.152 0.000 1.089 754 M CB -0.841 31.611 32.600 -0.247 0.000 1.377 754 M HN 0.176 nan 8.290 nan 0.000 0.411 755 N N -0.870 117.712 118.700 -0.197 0.000 2.430 755 N HA -0.160 4.582 4.740 0.003 0.000 0.186 755 N C 1.066 176.412 175.510 -0.272 0.000 1.032 755 N CA 1.210 54.151 53.050 -0.182 0.000 0.893 755 N CB -0.226 38.045 38.487 -0.360 0.000 0.957 755 N HN 0.551 nan 8.380 nan 0.000 0.442 756 Y N 0.411 120.709 120.300 -0.003 0.000 2.466 756 Y HA 0.284 4.836 4.550 0.003 0.000 0.272 756 Y C 0.855 176.699 175.900 -0.095 0.000 1.169 756 Y CA -0.499 57.579 58.100 -0.036 0.000 1.285 756 Y CB 0.327 38.767 38.460 -0.034 0.000 1.078 756 Y HN -0.117 nan 8.280 nan 0.000 0.523 757 I N 1.426 121.955 120.570 -0.068 0.000 2.517 757 I HA -0.071 4.101 4.170 0.003 0.000 0.285 757 I C 1.178 177.188 176.117 -0.177 0.000 1.106 757 I CA 0.216 61.367 61.300 -0.249 0.000 1.402 757 I CB 1.165 38.783 38.000 -0.636 0.000 1.399 757 I HN 0.221 nan 8.210 nan 0.000 0.535 758 K N 3.224 123.540 120.400 -0.141 0.000 2.089 758 K HA -0.244 4.078 4.320 0.003 0.000 0.210 758 K C 0.933 177.506 176.600 -0.045 0.000 1.048 758 K CA 1.790 58.036 56.287 -0.068 0.000 0.926 758 K CB -0.082 32.387 32.500 -0.052 0.000 0.714 758 K HN 0.572 nan 8.250 nan 0.000 0.448 759 D N -0.930 119.440 120.400 -0.051 0.000 2.460 759 D HA -0.011 4.631 4.640 0.003 0.000 0.229 759 D C 0.778 177.201 176.300 0.205 0.000 1.170 759 D CA 0.179 54.242 54.000 0.106 0.000 0.827 759 D CB 0.236 41.197 40.800 0.267 0.000 0.973 759 D HN 0.229 nan 8.370 nan 0.000 0.496 760 H N -0.671 118.355 119.070 -0.072 0.000 2.338 760 H HA 0.456 5.014 4.556 0.004 0.000 0.291 760 H C -0.045 175.146 175.328 -0.229 0.000 0.989 760 H CA 0.541 56.532 56.048 -0.095 0.000 1.281 760 H CB 0.632 30.335 29.762 -0.099 0.000 1.484 760 H HN -0.167 nan 8.280 nan 0.000 0.576 761 R N 0.116 120.522 120.500 -0.156 0.000 2.725 761 R HA 0.545 4.887 4.340 0.003 0.000 0.277 761 R C -1.666 174.620 176.300 -0.023 0.000 0.987 761 R CA -0.995 55.024 56.100 -0.134 0.000 0.901 761 R CB 3.203 33.450 30.300 -0.088 0.000 1.207 761 R HN -0.003 nan 8.270 nan 0.000 0.463 762 V N 1.658 121.596 119.914 0.040 0.000 2.448 762 V HA 0.254 4.376 4.120 0.003 0.000 0.295 762 V C -0.141 176.045 176.094 0.154 0.000 1.025 762 V CA -0.767 61.582 62.300 0.082 0.000 0.859 762 V CB 1.587 33.457 31.823 0.078 0.000 0.988 762 V HN 0.721 nan 8.190 nan 0.000 0.431 763 E N 3.597 123.873 120.200 0.127 0.000 2.289 763 E HA 0.540 4.892 4.350 0.003 0.000 0.278 763 E C -1.434 175.291 176.600 0.208 0.000 1.032 763 E CA -0.247 56.248 56.400 0.158 0.000 0.854 763 E CB 1.377 31.146 29.700 0.114 0.000 1.046 763 E HN 0.495 nan 8.360 nan 0.000 0.409 764 V N 5.354 125.456 119.914 0.314 0.000 2.577 764 V HA 0.121 4.243 4.120 0.003 0.000 0.294 764 V C -0.887 175.409 176.094 0.335 0.000 1.052 764 V CA -0.793 61.686 62.300 0.298 0.000 0.891 764 V CB 1.753 33.751 31.823 0.291 0.000 1.017 764 V HN 0.955 nan 8.190 nan 0.000 0.436 765 D N 4.125 124.654 120.400 0.215 0.000 2.723 765 D HA -0.192 4.450 4.640 0.003 0.000 0.236 765 D C 1.310 177.732 176.300 0.205 0.000 1.138 765 D CA 1.666 55.780 54.000 0.190 0.000 0.676 765 D CB -0.913 40.007 40.800 0.200 0.000 1.069 765 D HN 1.520 nan 8.370 nan 0.000 0.430 766 G N -0.580 108.326 108.800 0.177 0.000 2.184 766 G HA2 -0.376 3.586 3.960 0.003 0.000 0.264 766 G HA3 -0.376 3.586 3.960 0.003 0.000 0.264 766 G C -0.022 174.979 174.900 0.169 0.000 0.975 766 G CA 0.673 45.864 45.100 0.152 0.000 0.642 766 G HN 0.553 nan 8.290 nan 0.000 0.536 767 Y N 1.225 121.560 120.300 0.058 0.000 2.393 767 Y HA 0.600 5.152 4.550 0.004 0.000 0.341 767 Y C 0.209 176.032 175.900 -0.129 0.000 0.988 767 Y CA -1.138 56.896 58.100 -0.110 0.000 1.078 767 Y CB 1.222 39.508 38.460 -0.290 0.000 1.203 767 Y HN 0.039 nan 8.280 nan 0.000 0.453 768 K N 6.650 126.683 120.400 -0.611 0.000 2.250 768 K HA 0.208 4.530 4.320 0.003 0.000 0.280 768 K C -1.544 174.862 176.600 -0.323 0.000 1.098 768 K CA -0.307 55.792 56.287 -0.314 0.000 0.916 768 K CB 0.425 32.753 32.500 -0.287 0.000 1.209 768 K HN 0.512 nan 8.250 nan 0.000 0.461 769 Y N 1.221 121.566 120.300 0.074 0.000 2.301 769 Y HA 0.089 4.641 4.550 0.003 0.000 0.325 769 Y C 0.655 176.638 175.900 0.138 0.000 1.203 769 Y CA -0.723 57.481 58.100 0.174 0.000 1.255 769 Y CB 0.636 39.213 38.460 0.195 0.000 1.232 769 Y HN 0.533 nan 8.280 nan 0.000 0.501 770 W N 4.525 125.891 121.300 0.110 0.000 2.158 770 W HA 0.303 4.965 4.660 0.003 0.000 0.339 770 W C -0.885 175.654 176.519 0.033 0.000 1.294 770 W CA -0.506 56.839 57.345 0.000 0.000 1.231 770 W CB 0.500 29.950 29.460 -0.017 0.000 1.143 770 W HN 0.431 nan 8.180 nan 0.000 0.571 771 I N 6.048 126.420 120.570 -0.329 0.000 2.499 771 I HA 0.307 4.479 4.170 0.003 0.000 0.296 771 I C 0.249 176.287 176.117 -0.132 0.000 0.992 771 I CA -0.678 60.500 61.300 -0.203 0.000 1.297 771 I CB 1.588 39.437 38.000 -0.252 0.000 1.410 771 I HN 0.270 nan 8.210 nan 0.000 0.507 772 M N 5.679 125.247 119.600 -0.054 0.000 2.213 772 M HA 0.455 4.937 4.480 0.003 0.000 0.286 772 M C -1.359 174.906 176.300 -0.059 0.000 1.008 772 M CA -0.501 54.777 55.300 -0.037 0.000 0.937 772 M CB 1.546 34.148 32.600 0.002 0.000 1.600 772 M HN 0.509 nan 8.290 nan 0.000 0.450 773 R N 2.996 123.443 120.500 -0.089 0.000 2.357 773 R HA 0.714 5.056 4.340 0.003 0.000 0.296 773 R C -1.150 175.109 176.300 -0.069 0.000 1.052 773 R CA -0.662 55.370 56.100 -0.113 0.000 0.988 773 R CB 1.451 31.605 30.300 -0.242 0.000 1.025 773 R HN 0.517 nan 8.270 nan 0.000 0.469 774 V N 2.405 122.291 119.914 -0.047 0.000 2.760 774 V HA 0.167 4.289 4.120 0.003 0.000 0.309 774 V C -0.212 175.876 176.094 -0.010 0.000 1.077 774 V CA -1.167 61.120 62.300 -0.022 0.000 0.910 774 V CB 1.978 33.794 31.823 -0.012 0.000 1.008 774 V HN 0.767 nan 8.190 nan 0.000 0.424 775 N N 2.135 120.838 118.700 0.004 0.000 2.492 775 N HA -0.014 4.728 4.740 0.003 0.000 0.262 775 N C 1.526 177.043 175.510 0.010 0.000 1.202 775 N CA 0.718 53.778 53.050 0.016 0.000 0.926 775 N CB 1.639 40.142 38.487 0.026 0.000 1.078 775 N HN 0.889 nan 8.380 nan 0.000 0.454 776 S N 4.416 120.123 115.700 0.012 0.000 2.392 776 S HA -0.215 4.257 4.470 0.003 0.000 0.232 776 S C 1.984 176.589 174.600 0.009 0.000 1.041 776 S CA 1.068 59.274 58.200 0.009 0.000 1.026 776 S CB -0.435 62.772 63.200 0.010 0.000 0.845 776 S HN 0.684 nan 8.310 nan 0.000 0.465 777 I N 2.351 122.926 120.570 0.009 0.000 2.252 777 I HA -0.150 4.022 4.170 0.003 0.000 0.245 777 I C 2.209 178.330 176.117 0.005 0.000 1.102 777 I CA 1.566 62.869 61.300 0.005 0.000 1.385 777 I CB -0.453 37.548 38.000 0.002 0.000 1.064 777 I HN 0.266 nan 8.210 nan 0.000 0.414 778 D N 1.086 121.489 120.400 0.005 0.000 2.178 778 D HA -0.103 4.539 4.640 0.003 0.000 0.202 778 D C 2.227 178.533 176.300 0.010 0.000 0.974 778 D CA 1.446 55.449 54.000 0.005 0.000 0.841 778 D CB 0.034 40.835 40.800 0.003 0.000 0.953 778 D HN 0.361 nan 8.370 nan 0.000 0.478 779 A N 1.214 124.040 122.820 0.010 0.000 1.897 779 A HA -0.147 4.175 4.320 0.003 0.000 0.215 779 A C 2.137 179.730 177.584 0.015 0.000 1.181 779 A CA 1.057 53.102 52.037 0.013 0.000 0.620 779 A CB -0.258 18.748 19.000 0.010 0.000 0.821 779 A HN 0.023 nan 8.150 nan 0.000 0.443 780 E N 0.815 121.022 120.200 0.012 0.000 2.077 780 E HA -0.136 4.216 4.350 0.003 0.000 0.193 780 E C 1.994 178.602 176.600 0.013 0.000 0.989 780 E CA 1.319 57.725 56.400 0.011 0.000 0.800 780 E CB -0.359 29.346 29.700 0.008 0.000 0.746 780 E HN 0.433 nan 8.360 nan 0.000 0.452 781 A N 0.715 123.542 122.820 0.012 0.000 2.216 781 A HA -0.070 4.252 4.320 0.003 0.000 0.214 781 A C 1.817 179.413 177.584 0.021 0.000 1.160 781 A CA 0.816 52.861 52.037 0.014 0.000 0.725 781 A CB -0.235 18.771 19.000 0.010 0.000 0.784 781 A HN 0.162 nan 8.150 nan 0.000 0.472 782 R N -1.849 118.666 120.500 0.025 0.000 2.565 782 R HA 0.274 4.616 4.340 0.003 0.000 0.347 782 R C 0.880 177.201 176.300 0.035 0.000 1.010 782 R CA 0.352 56.473 56.100 0.036 0.000 1.126 782 R CB 0.369 30.695 30.300 0.044 0.000 1.331 782 R HN 0.513 nan 8.270 nan 0.000 0.552 783 G N 2.102 110.917 108.800 0.027 0.000 2.305 783 G HA2 -0.279 3.683 3.960 0.003 0.000 0.287 783 G HA3 -0.279 3.683 3.960 0.003 0.000 0.287 783 G C 0.002 174.918 174.900 0.027 0.000 1.036 783 G CA 0.175 45.290 45.100 0.024 0.000 0.887 783 G HN 0.280 nan 8.290 nan 0.000 0.505 784 I N -0.041 120.545 120.570 0.026 0.000 2.339 784 I HA 0.383 4.555 4.170 0.003 0.000 0.290 784 I C 0.505 176.633 176.117 0.019 0.000 0.994 784 I CA -0.537 60.779 61.300 0.027 0.000 1.191 784 I CB 1.397 39.415 38.000 0.030 0.000 1.343 784 I HN 0.008 nan 8.210 nan 0.000 0.458 785 K N 4.248 124.658 120.400 0.018 0.000 2.221 785 K HA 0.343 4.665 4.320 0.003 0.000 0.243 785 K C -0.373 176.233 176.600 0.011 0.000 0.968 785 K CA -0.955 55.340 56.287 0.013 0.000 0.846 785 K CB 1.519 34.026 32.500 0.012 0.000 1.141 785 K HN 0.446 nan 8.250 nan 0.000 0.434 786 N N 0.186 118.890 118.700 0.007 0.000 2.411 786 N HA -0.040 4.702 4.740 0.003 0.000 0.265 786 N C 0.668 176.183 175.510 0.009 0.000 1.266 786 N CA 1.236 54.289 53.050 0.005 0.000 0.889 786 N CB 0.213 38.702 38.487 0.002 0.000 1.069 786 N HN 0.798 nan 8.380 nan 0.000 0.476 787 G N 2.248 111.053 108.800 0.010 0.000 2.232 787 G HA2 -0.230 3.732 3.960 0.003 0.000 0.226 787 G HA3 -0.230 3.732 3.960 0.003 0.000 0.226 787 G C -0.310 174.597 174.900 0.013 0.000 0.996 787 G CA -0.276 44.834 45.100 0.016 0.000 0.626 787 G HN 0.600 nan 8.290 nan 0.000 0.509 788 D N 0.776 121.182 120.400 0.012 0.000 2.382 788 D HA 0.404 5.046 4.640 0.003 0.000 0.240 788 D C 1.021 177.320 176.300 -0.001 0.000 1.146 788 D CA 0.055 54.063 54.000 0.013 0.000 0.897 788 D CB 0.817 41.633 40.800 0.026 0.000 1.197 788 D HN 0.297 nan 8.370 nan 0.000 0.432 789 L N 2.359 123.581 121.223 -0.000 0.000 2.281 789 L HA 0.352 4.694 4.340 0.003 0.000 0.285 789 L C 0.546 177.466 176.870 0.083 0.000 1.074 789 L CA -0.478 54.342 54.840 -0.034 0.000 0.817 789 L CB 0.205 42.245 42.059 -0.032 0.000 1.168 789 L HN 0.236 nan 8.230 nan 0.000 0.434 790 I N 0.929 121.519 120.570 0.034 0.000 2.910 790 I HA 0.615 4.787 4.170 0.003 0.000 0.310 790 I C -0.436 175.698 176.117 0.030 0.000 1.043 790 I CA -1.008 60.339 61.300 0.079 0.000 1.053 790 I CB 2.074 40.106 38.000 0.054 0.000 1.242 790 I HN 0.586 nan 8.210 nan 0.000 0.452 791 R N 3.315 123.864 120.500 0.082 0.000 2.337 791 R HA 0.715 5.057 4.340 0.003 0.000 0.319 791 R C -1.195 175.178 176.300 0.123 0.000 0.954 791 R CA -0.469 55.644 56.100 0.022 0.000 0.840 791 R CB 1.527 31.847 30.300 0.033 0.000 1.164 791 R HN 0.961 nan 8.270 nan 0.000 0.472 792 A N 4.658 127.505 122.820 0.046 0.000 2.309 792 A HA 0.548 4.870 4.320 0.003 0.000 0.298 792 A C -1.248 176.366 177.584 0.051 0.000 1.165 792 A CA -0.435 51.611 52.037 0.014 0.000 0.821 792 A CB 0.330 19.303 19.000 -0.045 0.000 1.102 792 A HN 0.821 nan 8.150 nan 0.000 0.500 793 Y N 0.487 120.691 120.300 -0.160 0.000 2.750 793 Y HA 0.717 5.269 4.550 0.003 0.000 0.335 793 Y C -0.674 174.997 175.900 -0.382 0.000 1.252 793 Y CA -0.905 57.065 58.100 -0.217 0.000 1.064 793 Y CB 0.982 39.348 38.460 -0.157 0.000 1.321 793 Y HN 0.854 nan 8.280 nan 0.000 0.451 794 N N -1.920 116.590 118.700 -0.316 0.000 3.547 794 N HA 0.183 4.925 4.740 0.003 0.000 0.347 794 N C -0.823 174.616 175.510 -0.118 0.000 1.533 794 N CA -0.221 52.311 53.050 -0.863 0.000 0.848 794 N CB -0.027 37.811 38.487 -1.082 0.000 2.112 794 N HN 0.500 nan 8.380 nan 0.000 0.527 795 D N -0.595 119.791 120.400 -0.024 0.000 2.310 795 D HA 0.010 4.652 4.640 0.003 0.000 0.212 795 D C 1.130 177.531 176.300 0.169 0.000 0.965 795 D CA 0.839 54.957 54.000 0.197 0.000 0.879 795 D CB -0.025 40.893 40.800 0.197 0.000 0.921 795 D HN 0.406 nan 8.370 nan 0.000 0.510 796 R N -0.214 120.282 120.500 -0.006 0.000 2.173 796 R HA 0.322 4.664 4.340 0.003 0.000 0.208 796 R C 1.287 177.358 176.300 -0.382 0.000 1.035 796 R CA 0.704 56.749 56.100 -0.092 0.000 1.004 796 R CB 0.558 30.791 30.300 -0.112 0.000 0.917 796 R HN 0.134 nan 8.270 nan 0.000 0.462 797 G N -1.467 106.942 108.800 -0.651 0.000 2.336 797 G HA2 0.225 4.187 3.960 0.003 0.000 0.286 797 G HA3 0.225 4.187 3.960 0.003 0.000 0.286 797 G C -1.421 173.070 174.900 -0.681 0.000 1.269 797 G CA -0.741 43.512 45.100 -1.412 0.000 0.873 797 G HN -0.015 nan 8.290 nan 0.000 0.494 798 S N -1.399 114.026 115.700 -0.458 0.000 2.541 798 S HA 0.757 5.229 4.470 0.003 0.000 0.280 798 S C -0.888 173.629 174.600 -0.138 0.000 1.112 798 S CA -0.519 57.586 58.200 -0.157 0.000 0.925 798 S CB 2.001 65.155 63.200 -0.076 0.000 1.067 798 S HN 1.133 nan 8.310 nan 0.000 0.479 799 V N 3.262 123.104 119.914 -0.121 0.000 2.577 799 V HA 0.491 4.613 4.120 0.003 0.000 0.303 799 V C -1.069 174.936 176.094 -0.149 0.000 1.042 799 V CA -0.668 61.562 62.300 -0.116 0.000 0.872 799 V CB 1.540 33.314 31.823 -0.081 0.000 0.998 799 V HN 0.741 nan 8.190 nan 0.000 0.423 800 I N 6.074 126.513 120.570 -0.220 0.000 2.371 800 I HA 0.522 4.694 4.170 0.003 0.000 0.290 800 I C -0.048 176.036 176.117 -0.055 0.000 1.028 800 I CA 0.355 61.460 61.300 -0.324 0.000 1.345 800 I CB 0.843 38.419 38.000 -0.706 0.000 1.407 800 I HN 0.440 nan 8.210 nan 0.000 0.501 801 L N 4.972 126.168 121.223 -0.045 0.000 2.359 801 L HA 0.858 5.200 4.340 0.003 0.000 0.256 801 L C -0.322 176.547 176.870 -0.000 0.000 1.026 801 L CA -1.177 53.710 54.840 0.078 0.000 0.828 801 L CB 1.732 43.852 42.059 0.100 0.000 1.406 801 L HN 0.532 nan 8.230 nan 0.000 0.413 802 A N 0.846 123.702 122.820 0.060 0.000 2.274 802 A HA 0.800 5.122 4.320 0.003 0.000 0.309 802 A C -0.081 177.508 177.584 0.009 0.000 1.226 802 A CA -0.359 51.688 52.037 0.015 0.000 0.853 802 A CB 0.921 19.966 19.000 0.076 0.000 1.146 802 A HN 0.727 nan 8.150 nan 0.000 0.518 803 A N 2.220 125.040 122.820 0.000 0.000 2.363 803 A HA 0.547 4.869 4.320 0.003 0.000 0.270 803 A C 0.127 177.705 177.584 -0.010 0.000 1.121 803 A CA -0.264 51.770 52.037 -0.004 0.000 0.800 803 A CB 0.261 19.264 19.000 0.004 0.000 1.052 803 A HN 0.854 nan 8.150 nan 0.000 0.493 804 Q N 2.927 122.712 119.800 -0.025 0.000 2.454 804 Q HA 0.462 4.804 4.340 0.003 0.000 0.255 804 Q C -1.464 174.516 176.000 -0.032 0.000 1.034 804 Q CA -0.461 55.323 55.803 -0.030 0.000 0.736 804 Q CB 1.104 29.812 28.738 -0.049 0.000 1.210 804 Q HN 0.559 nan 8.270 nan 0.000 0.500 805 V N 3.545 123.448 119.914 -0.018 0.000 2.479 805 V HA 0.239 4.361 4.120 0.003 0.000 0.281 805 V C 0.439 176.523 176.094 -0.017 0.000 1.031 805 V CA 0.414 62.706 62.300 -0.014 0.000 1.038 805 V CB 0.975 32.795 31.823 -0.004 0.000 0.981 805 V HN 0.783 nan 8.190 nan 0.000 0.478 806 T N 2.911 117.455 114.554 -0.018 0.000 2.778 806 T HA 0.412 4.764 4.350 0.003 0.000 0.293 806 T C 0.225 174.930 174.700 0.007 0.000 1.144 806 T CA -0.503 61.587 62.100 -0.017 0.000 1.010 806 T CB 2.092 70.933 68.868 -0.044 0.000 1.325 806 T HN 0.637 nan 8.240 nan 0.000 0.515 807 E N 0.312 120.521 120.200 0.015 0.000 2.511 807 E HA 0.187 4.539 4.350 0.003 0.000 0.209 807 E C 0.783 177.457 176.600 0.124 0.000 0.986 807 E CA 0.148 56.586 56.400 0.063 0.000 0.974 807 E CB 0.096 29.829 29.700 0.055 0.000 1.030 807 E HN 0.560 nan 8.360 nan 0.000 0.490 808 C N 1.805 121.125 119.300 0.033 0.000 2.289 808 C HA 0.347 4.809 4.460 0.003 0.000 0.391 808 C C 0.552 175.679 174.990 0.227 0.000 1.304 808 C CA -0.084 58.908 59.018 -0.043 0.000 1.679 808 C CB -1.931 25.690 27.740 -0.199 0.000 1.885 808 C HN 0.148 nan 8.230 nan 0.000 0.587 809 L N 0.337 121.770 121.223 0.350 0.000 2.641 809 L HA 0.253 4.595 4.340 0.003 0.000 0.261 809 L C -0.341 176.645 176.870 0.193 0.000 0.926 809 L CA -0.337 54.677 54.840 0.291 0.000 0.917 809 L CB 1.288 43.421 42.059 0.124 0.000 1.361 809 L HN 0.190 nan 8.230 nan 0.000 0.417 810 Q N 3.831 123.706 119.800 0.124 0.000 2.361 810 Q HA 0.203 4.545 4.340 0.003 0.000 0.276 810 Q C -2.247 173.763 176.000 0.017 0.000 1.022 810 Q CA -1.196 54.617 55.803 0.017 0.000 0.898 810 Q CB 0.991 29.698 28.738 -0.052 0.000 1.246 810 Q HN 0.223 nan 8.270 nan 0.000 0.410 811 P HA -0.039 nan 4.420 nan 0.000 0.262 811 P C 0.007 177.300 177.300 -0.012 0.000 1.182 811 P CA 1.528 64.626 63.100 -0.003 0.000 0.761 811 P CB 0.416 32.109 31.700 -0.012 0.000 0.795 812 G N 1.473 110.268 108.800 -0.008 0.000 2.179 812 G HA2 -0.160 3.802 3.960 0.003 0.000 0.220 812 G HA3 -0.160 3.802 3.960 0.003 0.000 0.220 812 G C 0.079 174.973 174.900 -0.012 0.000 0.990 812 G CA -0.142 44.949 45.100 -0.015 0.000 0.646 812 G HN 0.593 nan 8.290 nan 0.000 0.517 813 T N 0.918 115.472 114.554 0.001 0.000 2.824 813 T HA 0.665 5.017 4.350 0.003 0.000 0.282 813 T C 0.088 174.795 174.700 0.011 0.000 0.993 813 T CA 0.105 62.211 62.100 0.010 0.000 0.967 813 T CB 2.486 71.374 68.868 0.034 0.000 0.960 813 T HN 1.344 nan 8.240 nan 0.000 0.441 814 V N 0.636 120.549 119.914 -0.003 0.000 2.815 814 V HA 0.736 4.858 4.120 0.003 0.000 0.314 814 V C -0.734 175.358 176.094 -0.003 0.000 1.064 814 V CA -0.850 61.443 62.300 -0.012 0.000 0.952 814 V CB 2.011 33.816 31.823 -0.030 0.000 1.020 814 V HN 0.960 nan 8.190 nan 0.000 0.439 815 H N 2.038 121.006 119.070 -0.170 0.000 2.717 815 H HA 0.756 5.314 4.556 0.003 0.000 0.366 815 H C -1.456 173.707 175.328 -0.276 0.000 1.132 815 H CA 0.032 55.927 56.048 -0.255 0.000 1.180 815 H CB 2.176 31.664 29.762 -0.457 0.000 1.678 815 H HN 0.994 nan 8.280 nan 0.000 0.537 816 S N 5.220 120.582 115.700 -0.563 0.000 2.599 816 S HA 0.244 4.716 4.470 0.003 0.000 0.269 816 S C -1.385 173.097 174.600 -0.196 0.000 1.135 816 S CA -0.556 57.486 58.200 -0.263 0.000 1.027 816 S CB -0.024 63.180 63.200 0.008 0.000 1.129 816 S HN 0.540 nan 8.310 nan 0.000 0.458 817 Y N 2.876 123.199 120.300 0.039 0.000 2.757 817 Y HA 0.085 4.637 4.550 0.003 0.000 0.344 817 Y C 1.391 177.503 175.900 0.354 0.000 1.263 817 Y CA 0.468 58.684 58.100 0.194 0.000 1.493 817 Y CB 0.498 39.128 38.460 0.284 0.000 1.342 817 Y HN 0.801 nan 8.280 nan 0.000 0.627 818 E N -1.011 119.402 120.200 0.355 0.000 2.961 818 E HA 0.479 4.831 4.350 0.003 0.000 0.254 818 E C -0.196 176.452 176.600 0.079 0.000 1.192 818 E CA -0.380 56.094 56.400 0.123 0.000 1.069 818 E CB 0.673 30.402 29.700 0.048 0.000 1.338 818 E HN 0.466 nan 8.360 nan 0.000 0.596 819 S N -1.982 113.683 115.700 -0.058 0.000 3.672 819 S HA -0.218 4.254 4.470 0.003 0.000 0.319 819 S C 0.040 174.514 174.600 -0.211 0.000 1.151 819 S CA 0.503 58.661 58.200 -0.069 0.000 0.911 819 S CB -2.522 60.703 63.200 0.041 0.000 0.939 819 S HN 0.767 nan 8.310 nan 0.000 0.524 820 C N 1.585 120.591 119.300 -0.490 0.000 2.648 820 C HA 0.607 5.069 4.460 0.003 0.000 0.419 820 C C 1.866 176.618 174.990 -0.396 0.000 1.352 820 C CA 0.236 58.771 59.018 -0.806 0.000 1.816 820 C CB -0.101 26.959 27.740 -1.134 0.000 2.598 820 C HN 0.785 nan 8.230 nan 0.000 0.598 821 A N 4.751 127.398 122.820 -0.289 0.000 2.072 821 A HA 0.254 4.576 4.320 0.003 0.000 0.216 821 A C 0.743 178.229 177.584 -0.164 0.000 1.156 821 A CA 0.633 52.551 52.037 -0.198 0.000 0.701 821 A CB -0.171 18.715 19.000 -0.188 0.000 0.816 821 A HN 0.827 nan 8.150 nan 0.000 0.458 822 V N 0.286 120.101 119.914 -0.165 0.000 2.383 822 V HA 0.278 4.400 4.120 0.003 0.000 0.275 822 V C -0.734 175.340 176.094 -0.033 0.000 1.036 822 V CA -0.435 61.806 62.300 -0.099 0.000 0.889 822 V CB 0.680 32.449 31.823 -0.089 0.000 0.985 822 V HN 0.383 nan 8.190 nan 0.000 0.459 823 Y N 4.262 124.485 120.300 -0.128 0.000 2.388 823 Y HA 0.623 5.175 4.550 0.003 0.000 0.328 823 Y C -0.580 175.280 175.900 -0.066 0.000 0.963 823 Y CA -1.437 56.607 58.100 -0.093 0.000 1.240 823 Y CB 1.384 39.806 38.460 -0.062 0.000 1.118 823 Y HN 0.726 nan 8.280 nan 0.000 0.484 824 D N 8.853 128.950 120.400 -0.506 0.000 2.378 824 D HA 0.389 5.031 4.640 0.003 0.000 0.265 824 D C -3.114 172.906 176.300 -0.466 0.000 1.229 824 D CA -2.209 51.537 54.000 -0.423 0.000 0.914 824 D CB 1.545 42.253 40.800 -0.154 0.000 1.140 824 D HN 0.202 nan 8.370 nan 0.000 0.516 825 P HA 0.147 nan 4.420 nan 0.000 0.271 825 P C 0.869 178.077 177.300 -0.155 0.000 1.216 825 P CA -0.322 62.576 63.100 -0.337 0.000 0.776 825 P CB 1.050 32.592 31.700 -0.263 0.000 0.881 826 L N 0.609 121.796 121.223 -0.060 0.000 2.418 826 L HA 0.170 4.512 4.340 0.003 0.000 0.218 826 L C 1.447 178.335 176.870 0.030 0.000 1.125 826 L CA 0.893 55.736 54.840 0.005 0.000 0.835 826 L CB -0.523 41.590 42.059 0.090 0.000 0.953 826 L HN 0.550 nan 8.230 nan 0.000 0.454 827 G N -1.095 107.727 108.800 0.037 0.000 3.214 827 G HA2 0.236 4.198 3.960 0.003 0.000 0.188 827 G HA3 0.236 4.198 3.960 0.003 0.000 0.188 827 G C -0.727 174.205 174.900 0.054 0.000 1.126 827 G CA -0.217 44.913 45.100 0.051 0.000 0.796 827 G HN -0.147 nan 8.290 nan 0.000 0.631 828 T N 1.710 116.313 114.554 0.081 0.000 2.902 828 T HA 0.451 4.803 4.350 0.003 0.000 0.301 828 T C 0.766 175.558 174.700 0.153 0.000 1.012 828 T CA 0.488 62.650 62.100 0.103 0.000 1.151 828 T CB 0.780 69.712 68.868 0.107 0.000 0.946 828 T HN 0.869 nan 8.240 nan 0.000 0.542 829 A N 2.743 125.676 122.820 0.188 0.000 2.540 829 A HA 0.488 4.810 4.320 0.003 0.000 0.239 829 A C 1.672 179.470 177.584 0.357 0.000 1.061 829 A CA 0.159 52.400 52.037 0.340 0.000 0.758 829 A CB -0.787 18.488 19.000 0.458 0.000 0.991 829 A HN 1.641 nan 8.150 nan 0.000 0.502 830 G N 1.691 110.733 108.800 0.403 0.000 2.189 830 G HA2 -0.285 3.677 3.960 0.003 0.000 0.267 830 G HA3 -0.285 3.677 3.960 0.003 0.000 0.267 830 G C 0.598 175.632 174.900 0.223 0.000 0.975 830 G CA 1.024 46.275 45.100 0.252 0.000 0.644 830 G HN 0.848 nan 8.290 nan 0.000 0.537 831 K N -0.411 120.139 120.400 0.249 0.000 2.520 831 K HA 0.332 4.654 4.320 0.003 0.000 0.206 831 K C 0.597 177.393 176.600 0.327 0.000 1.122 831 K CA 0.655 57.099 56.287 0.261 0.000 1.045 831 K CB 1.047 33.653 32.500 0.178 0.000 0.932 831 K HN 0.599 nan 8.250 nan 0.000 0.571 832 S N -0.668 115.226 115.700 0.324 0.000 2.720 832 S HA 0.699 5.171 4.470 0.003 0.000 0.287 832 S C -0.722 174.038 174.600 0.267 0.000 1.168 832 S CA -1.043 57.355 58.200 0.330 0.000 0.832 832 S CB 1.495 64.814 63.200 0.197 0.000 1.166 832 S HN 0.061 nan 8.310 nan 0.000 0.493 833 A N 0.568 123.541 122.820 0.256 0.000 2.477 833 A HA 0.504 4.826 4.320 0.003 0.000 0.246 833 A C -0.135 177.451 177.584 0.004 0.000 1.078 833 A CA 0.064 52.173 52.037 0.120 0.000 0.770 833 A CB -0.608 18.484 19.000 0.153 0.000 1.011 833 A HN 0.847 nan 8.150 nan 0.000 0.494 834 D N 0.247 120.617 120.400 -0.049 0.000 2.163 834 D HA 0.451 5.093 4.640 0.003 0.000 0.248 834 D C 0.922 177.143 176.300 -0.132 0.000 1.035 834 D CA -0.592 53.346 54.000 -0.103 0.000 0.872 834 D CB 0.887 41.684 40.800 -0.005 0.000 1.183 834 D HN 0.524 nan 8.370 nan 0.000 0.445 835 R N 1.934 122.345 120.500 -0.148 0.000 2.476 835 R HA 0.314 4.656 4.340 0.003 0.000 0.276 835 R C 1.392 177.714 176.300 0.036 0.000 0.941 835 R CA -0.188 55.858 56.100 -0.090 0.000 1.088 835 R CB 0.260 30.442 30.300 -0.197 0.000 1.216 835 R HN 0.400 nan 8.270 nan 0.000 0.533 836 G N 1.038 109.825 108.800 -0.021 0.000 2.402 836 G HA2 0.092 4.054 3.960 0.003 0.000 0.216 836 G HA3 0.092 4.054 3.960 0.003 0.000 0.216 836 G C 1.090 175.960 174.900 -0.051 0.000 1.162 836 G CA 0.858 45.958 45.100 -0.000 0.000 0.777 836 G HN 0.610 nan 8.290 nan 0.000 0.539 837 G N -2.296 106.440 108.800 -0.106 0.000 2.155 837 G HA2 -0.185 3.777 3.960 0.003 0.000 0.130 837 G HA3 -0.185 3.777 3.960 0.003 0.000 0.130 837 G C 0.171 174.780 174.900 -0.485 0.000 1.027 837 G CA -0.158 44.797 45.100 -0.242 0.000 0.705 837 G HN 0.523 nan 8.290 nan 0.000 0.496 838 C N 2.546 121.681 119.300 -0.275 0.000 2.612 838 C HA 0.242 4.704 4.460 0.003 0.000 0.403 838 C C 2.294 177.169 174.990 -0.191 0.000 1.056 838 C CA -0.457 58.412 59.018 -0.248 0.000 1.256 838 C CB -1.792 25.889 27.740 -0.099 0.000 1.741 838 C HN 0.450 nan 8.230 nan 0.000 0.542 839 I N 2.692 123.136 120.570 -0.210 0.000 2.335 839 I HA -0.135 4.037 4.170 0.003 0.000 0.251 839 I C 2.033 178.079 176.117 -0.117 0.000 1.129 839 I CA 1.468 62.696 61.300 -0.120 0.000 1.402 839 I CB -0.636 37.331 38.000 -0.055 0.000 1.069 839 I HN 0.620 nan 8.210 nan 0.000 0.424 840 N N 0.955 119.576 118.700 -0.132 0.000 2.635 840 N HA -0.062 4.680 4.740 0.003 0.000 0.191 840 N C 1.726 177.161 175.510 -0.125 0.000 1.155 840 N CA 0.519 53.495 53.050 -0.124 0.000 0.927 840 N CB -0.069 38.331 38.487 -0.145 0.000 0.976 840 N HN 0.447 nan 8.380 nan 0.000 0.448 841 I N 0.056 120.549 120.570 -0.130 0.000 2.439 841 I HA -0.171 4.001 4.170 0.003 0.000 0.251 841 I C 1.634 177.666 176.117 -0.141 0.000 1.139 841 I CA 0.794 62.015 61.300 -0.132 0.000 1.438 841 I CB 0.115 38.037 38.000 -0.130 0.000 1.085 841 I HN 0.088 nan 8.210 nan 0.000 0.427 842 L N -0.207 120.934 121.223 -0.136 0.000 2.375 842 L HA 0.048 4.390 4.340 0.003 0.000 0.215 842 L C 1.236 178.043 176.870 -0.105 0.000 1.108 842 L CA 0.042 54.797 54.840 -0.142 0.000 0.830 842 L CB -0.806 41.161 42.059 -0.153 0.000 0.959 842 L HN 0.265 nan 8.230 nan 0.000 0.457 843 T N -0.898 113.607 114.554 -0.081 0.000 2.900 843 T HA 0.178 4.530 4.350 0.003 0.000 0.307 843 T C -2.354 172.342 174.700 -0.007 0.000 1.065 843 T CA -1.479 60.595 62.100 -0.045 0.000 1.105 843 T CB 0.431 69.274 68.868 -0.042 0.000 0.979 843 T HN -0.070 nan 8.240 nan 0.000 0.544 844 P HA 0.205 nan 4.420 nan 0.000 0.276 844 P C -0.199 177.163 177.300 0.104 0.000 1.230 844 P CA -0.246 62.937 63.100 0.137 0.000 0.776 844 P CB 0.757 32.674 31.700 0.362 0.000 0.888 845 D N 1.952 122.364 120.400 0.020 0.000 2.369 845 D HA 0.007 4.649 4.640 0.003 0.000 0.211 845 D C 0.769 176.982 176.300 -0.146 0.000 1.077 845 D CA -0.084 53.880 54.000 -0.060 0.000 0.842 845 D CB -0.159 40.576 40.800 -0.107 0.000 0.947 845 D HN 0.313 nan 8.370 nan 0.000 0.509 846 R N 0.591 121.017 120.500 -0.123 0.000 2.537 846 R HA 0.069 4.411 4.340 0.003 0.000 0.280 846 R C -0.472 175.763 176.300 -0.108 0.000 1.058 846 R CA -0.398 55.530 56.100 -0.286 0.000 1.057 846 R CB 0.232 30.163 30.300 -0.615 0.000 0.973 846 R HN 0.001 nan 8.270 nan 0.000 0.438 847 Y N 3.551 123.777 120.300 -0.124 0.000 2.550 847 Y HA -0.107 4.445 4.550 0.004 0.000 0.343 847 Y C 1.942 177.866 175.900 0.039 0.000 1.245 847 Y CA -0.489 57.575 58.100 -0.060 0.000 1.462 847 Y CB 0.568 38.961 38.460 -0.112 0.000 1.340 847 Y HN 0.574 nan 8.280 nan 0.000 0.604 848 I N 0.852 121.604 120.570 0.303 0.000 2.300 848 I HA -0.285 3.887 4.170 0.003 0.000 0.252 848 I C 0.968 177.301 176.117 0.360 0.000 1.119 848 I CA 1.600 63.125 61.300 0.375 0.000 1.384 848 I CB -0.435 37.669 38.000 0.173 0.000 1.062 848 I HN 0.561 nan 8.210 nan 0.000 0.426 849 S N -1.400 114.382 115.700 0.137 0.000 2.688 849 S HA 0.264 4.736 4.470 0.003 0.000 0.275 849 S C 0.414 175.007 174.600 -0.011 0.000 1.175 849 S CA -0.896 57.371 58.200 0.111 0.000 0.818 849 S CB 1.939 65.255 63.200 0.194 0.000 1.157 849 S HN 0.046 nan 8.310 nan 0.000 0.482 850 K N -0.571 119.797 120.400 -0.054 0.000 2.103 850 K HA -0.096 4.226 4.320 0.003 0.000 0.207 850 K C 0.681 177.047 176.600 -0.390 0.000 1.048 850 K CA 1.940 58.067 56.287 -0.266 0.000 0.930 850 K CB -0.308 31.940 32.500 -0.421 0.000 0.716 850 K HN 0.707 nan 8.250 nan 0.000 0.444 851 Y N -1.300 119.057 120.300 0.095 0.000 2.430 851 Y HA 0.363 4.915 4.550 0.004 0.000 0.248 851 Y C 0.349 176.153 175.900 -0.160 0.000 1.108 851 Y CA -0.271 57.871 58.100 0.071 0.000 1.264 851 Y CB 0.653 39.299 38.460 0.310 0.000 1.172 851 Y HN -0.039 nan 8.280 nan 0.000 0.520 852 A N 0.100 122.838 122.820 -0.137 0.000 2.807 852 A HA 0.287 4.609 4.320 0.003 0.000 0.307 852 A C -0.038 176.775 177.584 -1.286 0.000 1.532 852 A CA -0.370 51.306 52.037 -0.602 0.000 1.215 852 A CB -1.285 17.622 19.000 -0.155 0.000 1.127 852 A HN 0.467 nan 8.150 nan 0.000 0.543 853 C N 3.001 121.146 119.300 -1.924 0.000 3.585 853 C HA 0.436 4.898 4.460 0.003 0.000 0.575 853 C C 1.438 175.755 174.990 -1.122 0.000 1.068 853 C CA -0.027 57.825 59.018 -1.944 0.000 1.113 853 C CB -2.069 24.810 27.740 -1.435 0.000 1.381 853 C HN 0.846 nan 8.230 nan 0.000 0.635 854 G N 1.204 109.571 108.800 -0.722 0.000 2.600 854 G HA2 0.706 4.668 3.960 0.003 0.000 0.303 854 G HA3 0.706 4.668 3.960 0.003 0.000 0.303 854 G C -0.498 174.510 174.900 0.181 0.000 1.253 854 G CA -0.870 44.206 45.100 -0.040 0.000 0.974 854 G HN 0.550 nan 8.290 nan 0.000 0.483 855 M N 0.141 119.862 119.600 0.203 0.000 2.249 855 M HA 0.685 5.167 4.480 0.003 0.000 0.351 855 M C 0.042 176.433 176.300 0.152 0.000 1.180 855 M CA -0.582 54.818 55.300 0.166 0.000 1.127 855 M CB 1.945 34.605 32.600 0.101 0.000 1.546 855 M HN 0.442 nan 8.290 nan 0.000 0.461 856 A N 3.019 125.936 122.820 0.162 0.000 2.855 856 A HA 0.320 4.642 4.320 0.003 0.000 0.301 856 A C 0.231 177.833 177.584 0.031 0.000 1.076 856 A CA -0.741 51.358 52.037 0.102 0.000 1.004 856 A CB -0.691 18.402 19.000 0.155 0.000 1.152 856 A HN 0.996 nan 8.150 nan 0.000 0.531 857 N N 1.322 120.043 118.700 0.034 0.000 2.069 857 N HA -0.159 4.583 4.740 0.003 0.000 0.191 857 N C 0.913 176.410 175.510 -0.021 0.000 1.031 857 N CA 1.482 54.534 53.050 0.005 0.000 0.852 857 N CB -0.228 38.261 38.487 0.002 0.000 1.018 857 N HN 0.472 nan 8.380 nan 0.000 0.423 858 N N 0.335 119.027 118.700 -0.013 0.000 2.678 858 N HA -0.042 4.700 4.740 0.003 0.000 0.199 858 N C -0.410 175.076 175.510 -0.040 0.000 1.353 858 N CA 0.628 53.667 53.050 -0.019 0.000 0.916 858 N CB -0.388 38.098 38.487 -0.000 0.000 1.057 858 N HN 0.392 nan 8.380 nan 0.000 0.449 859 T N -2.188 112.316 114.554 -0.083 0.000 3.038 859 T HA 0.713 5.065 4.350 0.003 0.000 0.344 859 T C -0.573 174.054 174.700 -0.122 0.000 1.054 859 T CA -0.939 61.083 62.100 -0.132 0.000 1.092 859 T CB 1.354 70.082 68.868 -0.234 0.000 1.031 859 T HN 0.081 nan 8.240 nan 0.000 0.482 860 A N 4.074 126.845 122.820 -0.082 0.000 2.374 860 A HA 0.781 5.103 4.320 0.003 0.000 0.305 860 A C -0.580 176.970 177.584 -0.058 0.000 1.053 860 A CA -0.915 51.084 52.037 -0.063 0.000 0.726 860 A CB 1.173 20.132 19.000 -0.068 0.000 1.229 860 A HN 0.859 nan 8.150 nan 0.000 0.431 861 L N 2.978 124.182 121.223 -0.032 0.000 2.292 861 L HA 0.706 5.048 4.340 0.003 0.000 0.284 861 L C 0.133 176.951 176.870 -0.087 0.000 1.065 861 L CA -0.537 54.301 54.840 -0.004 0.000 0.806 861 L CB 1.355 43.470 42.059 0.094 0.000 1.175 861 L HN 0.728 nan 8.230 nan 0.000 0.431 862 V N 0.019 119.878 119.914 -0.093 0.000 3.203 862 V HA 0.766 4.888 4.120 0.003 0.000 0.305 862 V C -1.402 174.593 176.094 -0.165 0.000 1.361 862 V CA -0.722 61.420 62.300 -0.264 0.000 1.066 862 V CB 2.233 33.893 31.823 -0.271 0.000 1.085 862 V HN 0.687 nan 8.190 nan 0.000 0.456 863 E N 0.317 120.286 120.200 -0.386 0.000 2.393 863 E HA 0.832 5.184 4.350 0.003 0.000 0.273 863 E C -1.167 175.220 176.600 -0.354 0.000 0.918 863 E CA -0.398 55.813 56.400 -0.315 0.000 0.773 863 E CB 2.022 31.525 29.700 -0.329 0.000 1.275 863 E HN 1.182 nan 8.360 nan 0.000 0.451 864 I N -0.787 119.734 120.570 -0.080 0.000 2.894 864 I HA 0.777 4.949 4.170 0.003 0.000 0.302 864 I C -1.065 175.139 176.117 0.146 0.000 1.188 864 I CA -0.839 60.495 61.300 0.056 0.000 1.014 864 I CB 2.302 40.314 38.000 0.019 0.000 1.242 864 I HN 0.666 nan 8.210 nan 0.000 0.430 865 E N 2.833 123.148 120.200 0.192 0.000 2.445 865 E HA 0.451 4.803 4.350 0.003 0.000 0.279 865 E C -1.685 175.010 176.600 0.158 0.000 1.018 865 E CA -1.313 55.189 56.400 0.170 0.000 0.816 865 E CB 1.671 31.498 29.700 0.210 0.000 1.356 865 E HN 0.541 nan 8.360 nan 0.000 0.462 866 K N 0.769 121.251 120.400 0.136 0.000 2.368 866 K HA 0.064 4.386 4.320 0.003 0.000 0.282 866 K C -0.761 175.974 176.600 0.224 0.000 1.035 866 K CA -0.410 55.963 56.287 0.144 0.000 0.973 866 K CB 0.473 33.028 32.500 0.093 0.000 0.957 866 K HN 0.439 nan 8.250 nan 0.000 0.474 867 W N 5.342 126.661 121.300 0.032 0.000 2.308 867 W HA -0.035 4.626 4.660 0.003 0.000 0.324 867 W C 0.549 177.105 176.519 0.062 0.000 1.387 867 W CA -0.428 56.953 57.345 0.060 0.000 1.250 867 W CB 0.276 29.756 29.460 0.032 0.000 1.257 867 W HN 0.688 nan 8.180 nan 0.000 0.554 868 D N 2.857 123.235 120.400 -0.036 0.000 2.355 868 D HA 0.079 4.721 4.640 0.003 0.000 0.218 868 D C 1.654 177.578 176.300 -0.626 0.000 1.004 868 D CA 0.751 54.610 54.000 -0.235 0.000 0.880 868 D CB -0.284 40.486 40.800 -0.050 0.000 0.911 868 D HN 0.743 nan 8.370 nan 0.000 0.528 869 G N 0.393 108.293 108.800 -1.500 0.000 2.176 869 G HA2 -0.269 3.693 3.960 0.003 0.000 0.232 869 G HA3 -0.269 3.693 3.960 0.003 0.000 0.232 869 G C -0.138 174.435 174.900 -0.545 0.000 0.986 869 G CA 0.091 44.240 45.100 -1.584 0.000 0.643 869 G HN 0.609 nan 8.290 nan 0.000 0.522 870 D N 0.445 120.710 120.400 -0.226 0.000 2.339 870 D HA 0.492 5.134 4.640 0.003 0.000 0.245 870 D C 1.751 178.156 176.300 0.175 0.000 1.115 870 D CA 0.288 54.183 54.000 -0.175 0.000 0.917 870 D CB 0.502 40.925 40.800 -0.630 0.000 1.192 870 D HN 0.385 nan 8.370 nan 0.000 0.428 871 K N 1.543 121.983 120.400 0.067 0.000 2.426 871 K HA -0.010 4.312 4.320 0.003 0.000 0.193 871 K C -0.184 176.569 176.600 0.256 0.000 1.028 871 K CA -0.195 56.221 56.287 0.214 0.000 1.047 871 K CB -0.223 32.350 32.500 0.123 0.000 0.821 871 K HN 0.525 nan 8.250 nan 0.000 0.513 872 Y N 2.035 122.416 120.300 0.136 0.000 2.976 872 Y HA -0.233 4.318 4.550 0.003 0.000 0.204 872 Y C -0.234 175.712 175.900 0.077 0.000 1.257 872 Y CA 0.643 58.797 58.100 0.091 0.000 0.856 872 Y CB -1.781 36.771 38.460 0.153 0.000 1.222 872 Y HN 0.424 nan 8.280 nan 0.000 0.442 873 E N 2.478 122.737 120.200 0.099 0.000 2.110 873 E HA 0.266 4.618 4.350 0.003 0.000 0.300 873 E C 0.911 177.499 176.600 -0.019 0.000 1.278 873 E CA 0.043 56.494 56.400 0.084 0.000 1.365 873 E CB -0.321 29.415 29.700 0.060 0.000 1.283 873 E HN 0.684 nan 8.360 nan 0.000 0.490 874 I N -1.326 119.134 120.570 -0.183 0.000 4.147 874 I HA 0.264 4.436 4.170 0.003 0.000 0.329 874 I C -0.581 175.229 176.117 -0.511 0.000 1.424 874 I CA -0.666 60.420 61.300 -0.356 0.000 1.127 874 I CB 0.052 37.809 38.000 -0.405 0.000 1.128 874 I HN 0.039 nan 8.210 nan 0.000 0.417 875 Y N 0.000 120.351 120.300 0.085 0.000 2.660 875 Y HA 0.000 4.553 4.550 0.005 0.000 0.201 875 Y CA 0.000 58.142 58.100 0.071 0.000 1.940 875 Y CB 0.000 38.503 38.460 0.071 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758