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 1ti2_1_A 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 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 G N -0.687 108.127 108.800 0.023 0.000 2.911 2 G HA2 0.749 4.708 3.960 -0.001 0.000 0.299 2 G HA3 0.749 4.708 3.960 -0.001 0.000 0.299 2 G C -1.334 173.581 174.900 0.025 0.000 1.283 2 G CA -0.499 44.616 45.100 0.025 0.000 0.805 2 G HN -0.071 nan 8.290 nan 0.000 0.548 3 E N -0.761 119.455 120.200 0.027 0.000 2.254 3 E HA 0.512 4.861 4.350 -0.001 0.000 0.261 3 E C -0.188 176.435 176.600 0.039 0.000 1.051 3 E CA -0.615 55.802 56.400 0.029 0.000 0.902 3 E CB 2.049 31.763 29.700 0.024 0.000 1.168 3 E HN 0.169 nan 8.360 nan 0.000 0.423 4 V N 1.178 121.121 119.914 0.048 0.000 2.649 4 V HA 0.206 4.325 4.120 -0.001 0.000 0.292 4 V C 0.142 176.271 176.094 0.059 0.000 1.055 4 V CA -0.388 61.957 62.300 0.074 0.000 1.023 4 V CB 1.360 33.249 31.823 0.110 0.000 0.992 4 V HN 0.296 nan 8.190 nan 0.000 0.480 5 V N 4.995 124.934 119.914 0.043 0.000 2.656 5 V HA 0.491 4.610 4.120 -0.001 0.000 0.307 5 V C -0.003 176.025 176.094 -0.111 0.000 1.051 5 V CA -0.920 61.367 62.300 -0.020 0.000 0.893 5 V CB 1.994 33.809 31.823 -0.014 0.000 0.999 5 V HN 0.834 nan 8.190 nan 0.000 0.426 6 R N 3.854 124.212 120.500 -0.237 0.000 2.202 6 R HA 0.679 5.019 4.340 -0.001 0.000 0.334 6 R C -1.215 174.912 176.300 -0.288 0.000 1.036 6 R CA -0.240 55.560 56.100 -0.499 0.000 0.878 6 R CB 0.535 30.416 30.300 -0.698 0.000 1.067 6 R HN 0.676 nan 8.270 nan 0.000 0.457 7 L N 1.850 122.951 121.223 -0.204 0.000 2.260 7 L HA 0.602 4.941 4.340 -0.001 0.000 0.265 7 L C 0.127 177.014 176.870 0.029 0.000 1.015 7 L CA -0.997 53.794 54.840 -0.082 0.000 0.826 7 L CB 2.318 44.334 42.059 -0.071 0.000 1.373 7 L HN 0.678 nan 8.230 nan 0.000 0.450 8 T N -2.029 112.531 114.554 0.009 0.000 2.907 8 T HA 0.610 4.959 4.350 -0.001 0.000 0.292 8 T C -0.706 173.952 174.700 -0.070 0.000 1.043 8 T CA -0.728 61.381 62.100 0.014 0.000 1.003 8 T CB 2.351 71.231 68.868 0.020 0.000 1.084 8 T HN 0.561 nan 8.240 nan 0.000 0.483 9 N N -0.474 118.161 118.700 -0.109 0.000 3.355 9 N HA 0.480 5.219 4.740 -0.001 0.000 0.238 9 N C -1.661 173.737 175.510 -0.187 0.000 1.466 9 N CA -0.411 52.509 53.050 -0.217 0.000 0.882 9 N CB 2.030 40.220 38.487 -0.495 0.000 1.406 9 N HN 0.779 nan 8.380 nan 0.000 0.500 10 S N -0.871 114.715 115.700 -0.191 0.000 2.806 10 S HA 0.887 5.356 4.470 -0.001 0.000 0.306 10 S C -1.256 173.277 174.600 -0.112 0.000 1.167 10 S CA 0.042 58.180 58.200 -0.103 0.000 0.847 10 S CB 0.942 64.213 63.200 0.119 0.000 1.216 10 S HN 0.888 nan 8.310 nan 0.000 0.532 11 S N -0.605 114.964 115.700 -0.218 0.000 2.703 11 S HA 0.362 4.831 4.470 -0.001 0.000 0.273 11 S C 0.569 174.872 174.600 -0.495 0.000 1.178 11 S CA 0.231 58.322 58.200 -0.180 0.000 0.838 11 S CB 0.363 63.452 63.200 -0.185 0.000 1.178 11 S HN 1.088 nan 8.310 nan 0.000 0.494 12 T N -2.095 112.353 114.554 -0.177 0.000 3.072 12 T HA 0.229 4.578 4.350 -0.001 0.000 0.266 12 T C 1.334 176.060 174.700 0.043 0.000 1.127 12 T CA 0.990 63.001 62.100 -0.148 0.000 1.107 12 T CB -0.707 68.327 68.868 0.276 0.000 0.910 12 T HN 1.172 nan 8.240 nan 0.000 0.513 13 G N 0.027 108.842 108.800 0.024 0.000 3.502 13 G HA2 0.567 4.527 3.960 -0.001 0.000 0.267 13 G HA3 0.567 4.527 3.960 -0.001 0.000 0.267 13 G C 0.535 175.328 174.900 -0.178 0.000 1.090 13 G CA -0.152 44.940 45.100 -0.014 0.000 0.795 13 G HN 0.975 nan 8.290 nan 0.000 0.535 14 G N -0.355 108.263 108.800 -0.304 0.000 2.484 14 G HA2 0.121 4.080 3.960 -0.001 0.000 0.685 14 G HA3 0.121 4.080 3.960 -0.001 0.000 0.685 14 G C -3.370 171.174 174.900 -0.594 0.000 1.294 14 G CA -1.023 43.730 45.100 -0.578 0.000 0.879 14 G HN 0.115 nan 8.290 nan 0.000 0.646 15 P HA 0.536 nan 4.420 nan 0.000 0.272 15 P C 0.073 177.138 177.300 -0.391 0.000 1.230 15 P CA -0.122 62.675 63.100 -0.506 0.000 0.788 15 P CB 1.356 32.728 31.700 -0.548 0.000 0.949 16 V N -1.914 117.828 119.914 -0.287 0.000 3.147 16 V HA 0.555 4.674 4.120 -0.001 0.000 0.306 16 V C -1.252 174.750 176.094 -0.154 0.000 1.209 16 V CA -1.026 61.164 62.300 -0.183 0.000 1.023 16 V CB 1.809 33.642 31.823 0.018 0.000 1.059 16 V HN 0.288 nan 8.190 nan 0.000 0.435 17 F N 1.275 121.195 119.950 -0.049 0.000 2.408 17 F HA 0.738 5.264 4.527 -0.001 0.000 0.344 17 F C 0.023 175.808 175.800 -0.026 0.000 1.112 17 F CA -0.905 57.030 58.000 -0.108 0.000 1.096 17 F CB 2.124 41.048 39.000 -0.126 0.000 1.129 17 F HN 0.399 nan 8.300 nan 0.000 0.486 18 V N 4.661 124.652 119.914 0.127 0.000 2.409 18 V HA 0.244 4.364 4.120 -0.001 0.000 0.291 18 V C -0.920 175.160 176.094 -0.025 0.000 1.020 18 V CA -1.012 61.380 62.300 0.153 0.000 0.848 18 V CB 1.123 33.075 31.823 0.217 0.000 0.990 18 V HN 0.443 nan 8.190 nan 0.000 0.430 19 Y N 3.497 123.852 120.300 0.092 0.000 2.341 19 Y HA 0.634 5.183 4.550 -0.001 0.000 0.340 19 Y C 0.194 176.132 175.900 0.063 0.000 0.997 19 Y CA -0.633 57.497 58.100 0.051 0.000 1.149 19 Y CB 1.620 40.098 38.460 0.030 0.000 1.171 19 Y HN 0.385 nan 8.280 nan 0.000 0.494 20 V N 3.891 123.889 119.914 0.141 0.000 2.769 20 V HA 0.597 4.716 4.120 -0.001 0.000 0.312 20 V C -0.632 175.519 176.094 0.095 0.000 1.061 20 V CA -1.416 60.954 62.300 0.116 0.000 0.931 20 V CB 2.184 34.056 31.823 0.082 0.000 1.010 20 V HN 0.661 nan 8.190 nan 0.000 0.433 21 K N 1.995 122.447 120.400 0.086 0.000 2.565 21 K HA 0.321 4.640 4.320 -0.001 0.000 0.251 21 K C -1.128 175.506 176.600 0.056 0.000 0.956 21 K CA -0.480 55.846 56.287 0.065 0.000 0.809 21 K CB 1.421 33.957 32.500 0.060 0.000 1.267 21 K HN 0.750 nan 8.250 nan 0.000 0.438 22 D N 3.188 123.617 120.400 0.048 0.000 2.708 22 D HA -0.184 4.455 4.640 -0.001 0.000 0.236 22 D C 0.559 176.890 176.300 0.051 0.000 1.146 22 D CA 1.922 55.948 54.000 0.043 0.000 0.662 22 D CB -1.112 39.706 40.800 0.031 0.000 1.059 22 D HN 1.128 nan 8.370 nan 0.000 0.428 23 G N 0.016 108.854 108.800 0.064 0.000 2.153 23 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.252 23 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.252 23 G C 0.222 175.184 174.900 0.104 0.000 0.994 23 G CA 0.935 46.082 45.100 0.079 0.000 0.698 23 G HN 0.640 nan 8.290 nan 0.000 0.521 24 K N -0.028 120.433 120.400 0.103 0.000 2.378 24 K HA 0.662 4.981 4.320 -0.001 0.000 0.252 24 K C 0.170 176.873 176.600 0.170 0.000 0.931 24 K CA -1.246 55.121 56.287 0.134 0.000 0.794 24 K CB 1.037 33.565 32.500 0.046 0.000 1.181 24 K HN 0.102 nan 8.250 nan 0.000 0.425 25 I N 6.255 126.989 120.570 0.274 0.000 2.452 25 I HA 0.043 4.212 4.170 -0.001 0.000 0.287 25 I C 1.120 177.364 176.117 0.212 0.000 1.079 25 I CA -0.014 61.432 61.300 0.244 0.000 1.387 25 I CB 0.759 38.904 38.000 0.242 0.000 1.404 25 I HN 0.693 nan 8.210 nan 0.000 0.522 26 I N 5.842 126.518 120.570 0.175 0.000 2.731 26 I HA 0.051 4.220 4.170 -0.001 0.000 0.260 26 I C 0.888 177.077 176.117 0.121 0.000 1.138 26 I CA 0.453 61.829 61.300 0.127 0.000 1.461 26 I CB 0.117 38.178 38.000 0.102 0.000 1.128 26 I HN 0.664 nan 8.210 nan 0.000 0.438 27 R N 0.186 120.789 120.500 0.172 0.000 2.728 27 R HA 0.604 4.943 4.340 -0.001 0.000 0.274 27 R C -1.747 174.703 176.300 0.251 0.000 1.032 27 R CA -0.804 55.388 56.100 0.152 0.000 0.866 27 R CB 1.321 31.641 30.300 0.032 0.000 1.263 27 R HN -0.143 nan 8.270 nan 0.000 0.475 28 M N 1.490 121.212 119.600 0.204 0.000 2.393 28 M HA 0.462 4.941 4.480 -0.001 0.000 0.299 28 M C -0.985 175.430 176.300 0.191 0.000 1.103 28 M CA -0.738 54.700 55.300 0.230 0.000 0.910 28 M CB 2.795 35.501 32.600 0.176 0.000 1.659 28 M HN 0.981 nan 8.290 nan 0.000 0.445 29 T N 0.134 114.823 114.554 0.225 0.000 2.841 29 T HA 0.761 5.110 4.350 -0.001 0.000 0.296 29 T C -3.073 171.679 174.700 0.088 0.000 1.166 29 T CA -1.947 60.250 62.100 0.162 0.000 1.007 29 T CB 2.121 71.125 68.868 0.226 0.000 1.253 29 T HN 0.233 nan 8.240 nan 0.000 0.511 30 P HA 0.369 nan 4.420 nan 0.000 0.273 30 P C -0.650 176.600 177.300 -0.084 0.000 1.250 30 P CA -0.538 62.524 63.100 -0.064 0.000 0.793 30 P CB 0.341 32.013 31.700 -0.046 0.000 1.011 31 M N 1.187 120.631 119.600 -0.260 0.000 2.238 31 M HA 0.254 4.733 4.480 -0.001 0.000 0.350 31 M C -0.257 175.912 176.300 -0.219 0.000 1.138 31 M CA -0.270 54.794 55.300 -0.393 0.000 1.040 31 M CB 0.974 33.071 32.600 -0.838 0.000 1.639 31 M HN 0.170 nan 8.290 nan 0.000 0.451 32 D N 3.177 123.610 120.400 0.054 0.000 2.177 32 D HA 0.387 5.027 4.640 -0.001 0.000 0.247 32 D C -0.870 175.557 176.300 0.211 0.000 1.063 32 D CA 0.020 54.032 54.000 0.019 0.000 0.867 32 D CB 1.259 42.120 40.800 0.101 0.000 1.168 32 D HN 0.411 nan 8.370 nan 0.000 0.445 33 F N 0.754 120.714 119.950 0.017 0.000 2.384 33 F HA 0.075 4.601 4.527 -0.001 0.000 0.338 33 F C 1.263 177.117 175.800 0.089 0.000 1.103 33 F CA -0.784 57.249 58.000 0.056 0.000 1.157 33 F CB 1.148 40.124 39.000 -0.039 0.000 1.167 33 F HN 0.091 nan 8.300 nan 0.000 0.529 34 D N 2.980 123.577 120.400 0.328 0.000 2.467 34 D HA 0.070 4.709 4.640 -0.001 0.000 0.220 34 D C 0.326 176.704 176.300 0.130 0.000 1.103 34 D CA -0.360 53.756 54.000 0.194 0.000 0.886 34 D CB 0.529 41.435 40.800 0.178 0.000 1.025 34 D HN 0.403 nan 8.370 nan 0.000 0.514 35 D N 2.651 123.119 120.400 0.112 0.000 2.411 35 D HA -0.109 4.530 4.640 -0.001 0.000 0.226 35 D C 1.505 177.833 176.300 0.047 0.000 0.988 35 D CA 0.431 54.475 54.000 0.073 0.000 0.938 35 D CB 0.174 41.015 40.800 0.069 0.000 0.883 35 D HN 0.517 nan 8.370 nan 0.000 0.525 36 A N 0.009 122.858 122.820 0.049 0.000 2.081 36 A HA 0.076 4.395 4.320 -0.001 0.000 0.214 36 A C 1.943 179.544 177.584 0.029 0.000 1.158 36 A CA 0.857 52.916 52.037 0.037 0.000 0.724 36 A CB 0.266 19.288 19.000 0.037 0.000 0.826 36 A HN 0.231 nan 8.150 nan 0.000 0.463 37 V N -4.595 115.333 119.914 0.025 0.000 3.411 37 V HA 0.295 4.414 4.120 -0.001 0.000 0.287 37 V C -0.917 175.152 176.094 -0.041 0.000 1.543 37 V CA -0.362 61.941 62.300 0.006 0.000 1.028 37 V CB 0.157 31.982 31.823 0.003 0.000 0.840 37 V HN 0.131 nan 8.190 nan 0.000 0.435 38 D N 2.728 123.093 120.400 -0.059 0.000 2.303 38 D HA 0.704 5.343 4.640 -0.001 0.000 0.236 38 D C 0.510 176.715 176.300 -0.160 0.000 1.068 38 D CA 0.381 54.274 54.000 -0.178 0.000 0.830 38 D CB 2.031 42.700 40.800 -0.219 0.000 1.109 38 D HN 0.495 nan 8.370 nan 0.000 0.496 39 A N 3.795 126.481 122.820 -0.222 0.000 2.586 39 A HA 0.230 4.549 4.320 -0.001 0.000 0.231 39 A C -1.999 175.536 177.584 -0.081 0.000 1.055 39 A CA -0.444 51.506 52.037 -0.145 0.000 0.756 39 A CB -0.461 18.414 19.000 -0.208 0.000 0.988 39 A HN 0.328 nan 8.150 nan 0.000 0.509 40 P HA 0.170 nan 4.420 nan 0.000 0.270 40 P C -0.170 177.158 177.300 0.046 0.000 1.223 40 P CA 0.036 63.150 63.100 0.023 0.000 0.785 40 P CB 0.559 32.273 31.700 0.023 0.000 0.923 41 S N 0.846 116.574 115.700 0.047 0.000 2.672 41 S HA 0.350 4.820 4.470 -0.001 0.000 0.276 41 S C -0.021 174.523 174.600 -0.092 0.000 1.207 41 S CA -0.721 57.456 58.200 -0.040 0.000 1.002 41 S CB 0.251 63.368 63.200 -0.139 0.000 0.998 41 S HN 0.482 nan 8.310 nan 0.000 0.542 42 W N 0.712 122.026 121.300 0.024 0.000 2.034 42 W HA 0.541 5.200 4.660 -0.001 0.000 0.357 42 W C -0.657 175.885 176.519 0.039 0.000 1.326 42 W CA -0.505 56.850 57.345 0.016 0.000 1.318 42 W CB -0.141 29.314 29.460 -0.008 0.000 1.193 42 W HN 0.408 nan 8.180 nan 0.000 0.620 43 K N 0.901 121.545 120.400 0.406 0.000 2.502 43 K HA 0.642 4.961 4.320 -0.001 0.000 0.257 43 K C -1.168 175.659 176.600 0.377 0.000 0.938 43 K CA -0.955 55.496 56.287 0.273 0.000 0.819 43 K CB 2.714 35.271 32.500 0.096 0.000 1.333 43 K HN 0.365 nan 8.250 nan 0.000 0.434 44 I N 2.255 123.027 120.570 0.336 0.000 2.478 44 I HA 0.202 4.371 4.170 -0.001 0.000 0.287 44 I C -1.055 175.181 176.117 0.198 0.000 1.042 44 I CA -0.783 60.666 61.300 0.249 0.000 1.067 44 I CB 2.200 40.350 38.000 0.250 0.000 1.233 44 I HN 0.489 nan 8.210 nan 0.000 0.431 45 E N 5.268 125.537 120.200 0.115 0.000 2.134 45 E HA 0.757 5.107 4.350 -0.001 0.000 0.278 45 E C -0.740 175.918 176.600 0.097 0.000 0.959 45 E CA -0.345 56.099 56.400 0.072 0.000 0.783 45 E CB 1.884 31.597 29.700 0.022 0.000 1.095 45 E HN 0.634 nan 8.360 nan 0.000 0.399 46 A N 3.066 125.983 122.820 0.163 0.000 2.547 46 A HA 0.572 4.892 4.320 -0.001 0.000 0.297 46 A C -0.551 177.127 177.584 0.157 0.000 1.056 46 A CA -0.884 51.230 52.037 0.128 0.000 0.688 46 A CB 0.974 20.031 19.000 0.094 0.000 1.282 46 A HN 0.670 nan 8.150 nan 0.000 0.400 47 R N 0.814 121.354 120.500 0.066 0.000 3.184 47 R HA -0.248 4.091 4.340 -0.001 0.000 0.242 47 R C 1.231 177.562 176.300 0.053 0.000 0.907 47 R CA 1.417 57.555 56.100 0.064 0.000 0.618 47 R CB -1.723 28.628 30.300 0.086 0.000 1.016 47 R HN 2.520 nan 8.270 nan 0.000 0.469 48 G N -0.934 107.877 108.800 0.018 0.000 2.184 48 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.264 48 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.264 48 G C 0.146 174.998 174.900 -0.080 0.000 0.975 48 G CA 1.085 46.173 45.100 -0.019 0.000 0.642 48 G HN 0.458 nan 8.290 nan 0.000 0.536 49 K N -0.609 119.711 120.400 -0.133 0.000 2.316 49 K HA 0.721 5.041 4.320 -0.001 0.000 0.234 49 K C -0.760 175.555 176.600 -0.476 0.000 1.054 49 K CA -0.612 55.446 56.287 -0.382 0.000 0.879 49 K CB 1.541 33.633 32.500 -0.680 0.000 1.252 49 K HN 0.020 nan 8.250 nan 0.000 0.471 50 T N 1.593 115.762 114.554 -0.641 0.000 2.815 50 T HA 0.457 4.806 4.350 -0.001 0.000 0.289 50 T C -1.202 173.074 174.700 -0.706 0.000 1.000 50 T CA -0.571 61.252 62.100 -0.461 0.000 0.958 50 T CB 0.031 68.752 68.868 -0.246 0.000 0.944 50 T HN 0.227 nan 8.240 nan 0.000 0.442 51 F N 1.935 121.685 119.950 -0.334 0.000 2.411 51 F HA 0.615 5.141 4.527 -0.001 0.000 0.352 51 F C 0.853 176.449 175.800 -0.339 0.000 1.123 51 F CA -0.725 56.888 58.000 -0.646 0.000 1.044 51 F CB 1.939 40.239 39.000 -1.166 0.000 1.135 51 F HN 0.339 nan 8.300 nan 0.000 0.461 52 T N 5.035 119.513 114.554 -0.127 0.000 2.952 52 T HA 0.471 4.820 4.350 -0.001 0.000 0.305 52 T C -2.775 171.874 174.700 -0.086 0.000 1.064 52 T CA -1.876 60.051 62.100 -0.288 0.000 1.008 52 T CB 1.471 70.212 68.868 -0.211 0.000 1.078 52 T HN 0.323 nan 8.240 nan 0.000 0.459 53 P HA 0.381 nan 4.420 nan 0.000 0.272 53 P C -2.788 174.531 177.300 0.033 0.000 1.240 53 P CA -1.275 61.787 63.100 -0.064 0.000 0.791 53 P CB -0.545 31.025 31.700 -0.216 0.000 0.978 54 P HA 0.217 nan 4.420 nan 0.000 0.275 54 P C 0.356 177.654 177.300 -0.003 0.000 1.227 54 P CA -0.158 62.960 63.100 0.030 0.000 0.781 54 P CB 0.323 32.019 31.700 -0.007 0.000 0.906 55 R N 2.723 123.180 120.500 -0.073 0.000 4.980 55 R HA 0.092 4.431 4.340 -0.001 0.000 0.190 55 R C 0.410 176.247 176.300 -0.772 0.000 2.095 55 R CA 0.479 56.462 56.100 -0.194 0.000 1.717 55 R CB -0.718 29.585 30.300 0.005 0.000 1.337 55 R HN 0.476 nan 8.270 nan 0.000 0.820 56 K N -0.052 119.819 120.400 -0.881 0.000 2.568 56 K HA 0.144 4.463 4.320 -0.001 0.000 0.273 56 K C -0.617 175.651 176.600 -0.553 0.000 0.951 56 K CA -0.477 55.288 56.287 -0.871 0.000 0.854 56 K CB 1.727 33.998 32.500 -0.381 0.000 1.424 56 K HN 0.081 nan 8.250 nan 0.000 0.427 57 T N -1.077 113.234 114.554 -0.405 0.000 2.862 57 T HA 0.630 4.979 4.350 -0.001 0.000 0.276 57 T C 0.021 174.700 174.700 -0.033 0.000 0.974 57 T CA -0.441 61.618 62.100 -0.068 0.000 0.966 57 T CB 1.226 70.034 68.868 -0.099 0.000 1.072 57 T HN 0.608 nan 8.240 nan 0.000 0.538 58 S N -0.157 115.590 115.700 0.077 0.000 2.595 58 S HA 0.773 5.242 4.470 -0.001 0.000 0.281 58 S C -0.567 174.062 174.600 0.048 0.000 1.117 58 S CA -1.086 57.164 58.200 0.083 0.000 0.873 58 S CB 1.095 64.400 63.200 0.175 0.000 1.108 58 S HN 1.221 nan 8.310 nan 0.000 0.477 59 I N -1.437 119.165 120.570 0.054 0.000 3.002 59 I HA 0.952 5.122 4.170 -0.001 0.000 0.310 59 I C -0.200 175.880 176.117 -0.061 0.000 1.087 59 I CA -1.627 59.645 61.300 -0.048 0.000 1.017 59 I CB 1.598 39.556 38.000 -0.069 0.000 1.226 59 I HN 0.866 nan 8.210 nan 0.000 0.443 60 A N 3.384 126.012 122.820 -0.320 0.000 2.264 60 A HA 0.700 5.019 4.320 -0.001 0.000 0.304 60 A C -1.981 175.346 177.584 -0.428 0.000 1.100 60 A CA -1.687 50.004 52.037 -0.577 0.000 0.839 60 A CB 0.158 18.466 19.000 -1.153 0.000 1.121 60 A HN 0.696 nan 8.150 nan 0.000 0.496 61 P HA -0.228 nan 4.420 nan 0.000 0.214 61 P C 0.940 178.197 177.300 -0.073 0.000 1.163 61 P CA 2.287 65.350 63.100 -0.061 0.000 0.889 61 P CB -0.286 31.502 31.700 0.146 0.000 0.790 62 Y N -2.221 118.123 120.300 0.072 0.000 2.403 62 Y HA -0.068 4.481 4.550 -0.001 0.000 0.291 62 Y C 1.964 177.956 175.900 0.154 0.000 1.143 62 Y CA 1.205 59.351 58.100 0.076 0.000 1.257 62 Y CB -2.320 36.162 38.460 0.037 0.000 0.984 62 Y HN -0.130 nan 8.280 nan 0.000 0.550 63 T N 0.217 114.783 114.554 0.019 0.000 2.976 63 T HA 0.118 4.467 4.350 -0.001 0.000 0.257 63 T C 2.239 177.009 174.700 0.117 0.000 1.051 63 T CA 0.909 63.073 62.100 0.106 0.000 1.141 63 T CB -0.412 68.420 68.868 -0.060 0.000 0.881 63 T HN 0.525 nan 8.240 nan 0.000 0.461 64 A N 1.064 123.912 122.820 0.047 0.000 1.978 64 A HA 0.109 4.428 4.320 -0.001 0.000 0.220 64 A C 2.144 179.807 177.584 0.132 0.000 1.170 64 A CA 1.699 53.780 52.037 0.073 0.000 0.636 64 A CB -0.751 18.276 19.000 0.046 0.000 0.810 64 A HN 0.503 nan 8.150 nan 0.000 0.448 65 G N -2.913 105.985 108.800 0.164 0.000 3.575 65 G HA2 0.273 4.232 3.960 -0.001 0.000 0.273 65 G HA3 0.273 4.232 3.960 -0.001 0.000 0.273 65 G C 0.757 175.714 174.900 0.096 0.000 1.053 65 G CA 0.144 45.373 45.100 0.216 0.000 0.803 65 G HN 0.315 nan 8.290 nan 0.000 0.528 66 F N 1.458 121.393 119.950 -0.024 0.000 2.250 66 F HA -0.048 4.478 4.527 -0.001 0.000 0.301 66 F C 2.441 178.114 175.800 -0.212 0.000 1.077 66 F CA 1.596 59.533 58.000 -0.105 0.000 1.348 66 F CB 0.267 39.202 39.000 -0.108 0.000 1.040 66 F HN 0.194 nan 8.300 nan 0.000 0.509 67 K N 0.088 120.405 120.400 -0.139 0.000 2.103 67 K HA -0.210 4.109 4.320 -0.001 0.000 0.207 67 K C 2.185 178.614 176.600 -0.285 0.000 1.048 67 K CA 1.710 57.881 56.287 -0.194 0.000 0.930 67 K CB -0.312 32.212 32.500 0.039 0.000 0.716 67 K HN 0.402 nan 8.250 nan 0.000 0.444 68 S N -0.146 115.276 115.700 -0.462 0.000 2.474 68 S HA -0.106 4.363 4.470 -0.001 0.000 0.235 68 S C 1.810 176.135 174.600 -0.458 0.000 0.997 68 S CA 0.869 58.667 58.200 -0.671 0.000 0.949 68 S CB -0.123 62.156 63.200 -1.535 0.000 0.766 68 S HN 0.286 nan 8.310 nan 0.000 0.517 69 M N 0.565 119.839 119.600 -0.543 0.000 2.357 69 M HA 0.283 4.762 4.480 -0.001 0.000 0.266 69 M C 1.962 178.152 176.300 -0.182 0.000 1.095 69 M CA 0.891 55.898 55.300 -0.488 0.000 1.156 69 M CB -0.322 31.766 32.600 -0.854 0.000 1.365 69 M HN 0.257 nan 8.290 nan 0.000 0.447 70 I N -0.881 119.425 120.570 -0.439 0.000 2.208 70 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 70 I C 1.035 176.985 176.117 -0.278 0.000 1.097 70 I CA 1.403 62.485 61.300 -0.363 0.000 1.363 70 I CB -0.226 37.398 38.000 -0.628 0.000 1.051 70 I HN 0.251 nan 8.210 nan 0.000 0.413 71 Y N 0.548 120.797 120.300 -0.086 0.000 2.625 71 Y HA 0.261 4.810 4.550 -0.001 0.000 0.285 71 Y C 1.264 177.141 175.900 -0.039 0.000 1.168 71 Y CA -0.681 57.388 58.100 -0.052 0.000 1.250 71 Y CB -0.445 37.977 38.460 -0.063 0.000 1.130 71 Y HN -0.079 nan 8.280 nan 0.000 0.526 72 S N 1.242 117.012 115.700 0.117 0.000 2.568 72 S HA -0.045 4.424 4.470 -0.001 0.000 0.282 72 S C 1.273 175.946 174.600 0.122 0.000 1.338 72 S CA -0.121 58.141 58.200 0.103 0.000 1.045 72 S CB 0.480 63.780 63.200 0.167 0.000 0.873 72 S HN 0.605 nan 8.310 nan 0.000 0.516 73 D N 3.518 123.969 120.400 0.086 0.000 2.349 73 D HA -0.025 4.614 4.640 -0.001 0.000 0.215 73 D C 1.322 177.705 176.300 0.138 0.000 1.016 73 D CA 0.409 54.444 54.000 0.059 0.000 0.870 73 D CB -0.150 40.653 40.800 0.005 0.000 0.917 73 D HN 0.516 nan 8.370 nan 0.000 0.524 74 L N -0.332 121.036 121.223 0.242 0.000 2.592 74 L HA 0.181 4.520 4.340 -0.001 0.000 0.227 74 L C 0.916 178.054 176.870 0.447 0.000 1.127 74 L CA -0.538 54.551 54.840 0.417 0.000 0.884 74 L CB -0.020 42.229 42.059 0.318 0.000 1.065 74 L HN -0.155 nan 8.230 nan 0.000 0.457 75 R N 1.791 122.498 120.500 0.346 0.000 2.484 75 R HA 0.088 4.427 4.340 -0.001 0.000 0.293 75 R C -0.147 176.186 176.300 0.054 0.000 1.023 75 R CA 0.126 56.318 56.100 0.154 0.000 1.037 75 R CB -0.050 30.295 30.300 0.074 0.000 0.951 75 R HN 0.062 nan 8.270 nan 0.000 0.418 76 I N 9.255 129.792 120.570 -0.056 0.000 2.752 76 I HA -0.028 4.141 4.170 -0.001 0.000 0.286 76 I C -1.258 174.743 176.117 -0.193 0.000 1.180 76 I CA -1.166 60.075 61.300 -0.099 0.000 1.404 76 I CB 0.870 38.779 38.000 -0.152 0.000 1.389 76 I HN 0.677 nan 8.210 nan 0.000 0.549 77 P HA -0.087 nan 4.420 nan 0.000 0.215 77 P C -0.875 176.118 177.300 -0.512 0.000 1.157 77 P CA 1.486 64.232 63.100 -0.590 0.000 0.859 77 P CB 0.161 31.171 31.700 -1.150 0.000 0.786 78 Y N -7.113 113.132 120.300 -0.092 0.000 2.750 78 Y HA 0.606 5.155 4.550 -0.001 0.000 0.335 78 Y C -3.242 172.469 175.900 -0.315 0.000 1.252 78 Y CA -4.125 53.865 58.100 -0.182 0.000 1.064 78 Y CB -0.915 37.464 38.460 -0.134 0.000 1.321 78 Y HN -0.369 nan 8.280 nan 0.000 0.451 79 P HA 0.201 nan 4.420 nan 0.000 0.265 79 P C -0.801 176.449 177.300 -0.083 0.000 1.187 79 P CA 0.659 63.507 63.100 -0.421 0.000 0.766 79 P CB 0.355 31.619 31.700 -0.726 0.000 0.820 80 M N 2.268 121.822 119.600 -0.078 0.000 2.591 80 M HA 0.448 4.927 4.480 -0.001 0.000 0.306 80 M C -0.186 176.179 176.300 0.107 0.000 1.190 80 M CA -0.603 54.726 55.300 0.047 0.000 0.889 80 M CB 2.835 35.426 32.600 -0.015 0.000 1.728 80 M HN 0.087 nan 8.290 nan 0.000 0.458 81 K N 1.584 122.122 120.400 0.230 0.000 2.443 81 K HA 0.445 4.764 4.320 -0.001 0.000 0.252 81 K C -1.240 175.539 176.600 0.297 0.000 0.933 81 K CA -0.739 55.706 56.287 0.263 0.000 0.792 81 K CB 2.245 34.858 32.500 0.187 0.000 1.185 81 K HN 0.750 nan 8.250 nan 0.000 0.425 82 R N 3.518 124.150 120.500 0.221 0.000 2.421 82 R HA 0.013 4.352 4.340 -0.001 0.000 0.305 82 R C 0.636 176.947 176.300 0.019 0.000 1.039 82 R CA 0.480 56.499 56.100 -0.136 0.000 1.003 82 R CB 0.542 30.766 30.300 -0.127 0.000 0.959 82 R HN 0.629 nan 8.270 nan 0.000 0.427 83 K N 1.456 121.816 120.400 -0.067 0.000 2.044 83 K HA -0.163 4.156 4.320 -0.001 0.000 0.210 83 K C 1.648 178.265 176.600 0.028 0.000 1.049 83 K CA 2.169 58.455 56.287 -0.001 0.000 0.927 83 K CB -0.024 32.460 32.500 -0.027 0.000 0.713 83 K HN 0.718 nan 8.250 nan 0.000 0.443 84 S N 0.400 116.111 115.700 0.017 0.000 2.603 84 S HA -0.070 4.399 4.470 -0.001 0.000 0.229 84 S C 0.326 175.001 174.600 0.126 0.000 0.972 84 S CA -0.028 58.201 58.200 0.048 0.000 0.935 84 S CB -0.414 62.804 63.200 0.031 0.000 0.769 84 S HN 0.193 nan 8.310 nan 0.000 0.536 85 F N 2.948 122.903 119.950 0.008 0.000 2.405 85 F HA 0.539 5.065 4.527 -0.001 0.000 0.355 85 F C -0.539 175.287 175.800 0.043 0.000 1.121 85 F CA -1.508 56.522 58.000 0.050 0.000 1.112 85 F CB 1.058 40.115 39.000 0.095 0.000 1.126 85 F HN -0.031 nan 8.300 nan 0.000 0.481 86 D N 8.728 128.730 120.400 -0.663 0.000 2.469 86 D HA 0.344 4.983 4.640 -0.001 0.000 0.251 86 D C -2.151 173.696 176.300 -0.754 0.000 1.173 86 D CA -2.394 51.282 54.000 -0.539 0.000 0.882 86 D CB 2.246 42.897 40.800 -0.248 0.000 1.129 86 D HN 0.204 nan 8.370 nan 0.000 0.549 87 P HA -0.102 nan 4.420 nan 0.000 0.215 87 P C 0.090 177.234 177.300 -0.259 0.000 1.157 87 P CA 1.272 64.081 63.100 -0.485 0.000 0.874 87 P CB 0.261 31.817 31.700 -0.239 0.000 0.790 88 N N -1.579 117.008 118.700 -0.190 0.000 2.295 88 N HA 0.262 5.001 4.740 -0.001 0.000 0.221 88 N C 0.750 176.202 175.510 -0.096 0.000 1.129 88 N CA 0.151 53.136 53.050 -0.109 0.000 0.836 88 N CB 0.462 38.906 38.487 -0.072 0.000 1.040 88 N HN 0.155 nan 8.380 nan 0.000 0.494 89 G N -0.660 108.061 108.800 -0.131 0.000 3.111 89 G HA2 0.124 4.083 3.960 -0.001 0.000 0.158 89 G HA3 0.124 4.083 3.960 -0.001 0.000 0.158 89 G C -1.157 173.688 174.900 -0.091 0.000 1.161 89 G CA -0.476 44.570 45.100 -0.091 0.000 1.025 89 G HN -0.072 nan 8.290 nan 0.000 0.619 90 E N 1.314 121.470 120.200 -0.074 0.000 2.265 90 E HA 0.204 4.553 4.350 -0.001 0.000 0.272 90 E C 0.973 177.531 176.600 -0.069 0.000 1.067 90 E CA -0.111 56.264 56.400 -0.043 0.000 0.900 90 E CB 1.485 31.174 29.700 -0.018 0.000 1.017 90 E HN 0.405 nan 8.360 nan 0.000 0.431 91 R N 2.156 122.643 120.500 -0.020 0.000 2.240 91 R HA 0.020 4.359 4.340 -0.001 0.000 0.203 91 R C -0.056 176.373 176.300 0.214 0.000 1.011 91 R CA -0.151 55.982 56.100 0.055 0.000 1.007 91 R CB 0.050 30.461 30.300 0.186 0.000 0.911 91 R HN 0.466 nan 8.270 nan 0.000 0.468 92 N N 0.792 119.570 118.700 0.130 0.000 2.669 92 N HA -0.120 4.619 4.740 -0.001 0.000 0.266 92 N C -2.225 173.388 175.510 0.171 0.000 1.024 92 N CA 0.354 53.480 53.050 0.127 0.000 0.766 92 N CB -0.513 38.034 38.487 0.100 0.000 0.898 92 N HN 0.196 nan 8.380 nan 0.000 0.548 93 P HA -0.186 nan 4.420 nan 0.000 0.216 93 P C 1.725 179.122 177.300 0.161 0.000 1.150 93 P CA 1.174 64.388 63.100 0.189 0.000 0.837 93 P CB 0.122 31.923 31.700 0.168 0.000 0.786 94 Q N -0.017 119.856 119.800 0.120 0.000 2.508 94 Q HA -0.105 4.235 4.340 -0.001 0.000 0.214 94 Q C 1.231 177.294 176.000 0.106 0.000 0.979 94 Q CA 1.315 57.181 55.803 0.106 0.000 0.911 94 Q CB -1.136 27.645 28.738 0.072 0.000 0.969 94 Q HN 0.346 nan 8.270 nan 0.000 0.504 95 L N 0.629 121.915 121.223 0.104 0.000 2.769 95 L HA 0.298 4.637 4.340 -0.001 0.000 0.240 95 L C 0.450 177.357 176.870 0.062 0.000 1.163 95 L CA -0.357 54.526 54.840 0.072 0.000 0.962 95 L CB 0.250 42.339 42.059 0.050 0.000 1.258 95 L HN -0.034 nan 8.230 nan 0.000 0.513 96 R N 0.839 121.414 120.500 0.125 0.000 2.401 96 R HA 0.281 4.620 4.340 -0.001 0.000 0.299 96 R C 1.073 177.433 176.300 0.099 0.000 1.064 96 R CA 0.673 56.855 56.100 0.135 0.000 1.000 96 R CB 0.467 30.930 30.300 0.272 0.000 0.973 96 R HN 0.297 nan 8.270 nan 0.000 0.438 97 G N 1.873 110.564 108.800 -0.180 0.000 2.143 97 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.249 97 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.249 97 G C 0.882 175.661 174.900 -0.201 0.000 0.981 97 G CA 0.278 45.083 45.100 -0.491 0.000 0.665 97 G HN 0.720 nan 8.290 nan 0.000 0.528 98 A N 0.135 122.896 122.820 -0.099 0.000 1.902 98 A HA 0.295 4.614 4.320 -0.001 0.000 0.217 98 A C 2.804 180.352 177.584 -0.059 0.000 1.181 98 A CA 2.319 54.328 52.037 -0.047 0.000 0.623 98 A CB -0.974 18.009 19.000 -0.028 0.000 0.818 98 A HN 1.623 nan 8.150 nan 0.000 0.443 99 G N -0.371 108.380 108.800 -0.081 0.000 2.440 99 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.218 99 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.218 99 G C 1.439 176.308 174.900 -0.051 0.000 1.154 99 G CA 1.198 46.274 45.100 -0.041 0.000 0.767 99 G HN 0.399 nan 8.290 nan 0.000 0.552 100 L N 1.154 122.302 121.223 -0.126 0.000 2.131 100 L HA 0.041 4.380 4.340 -0.001 0.000 0.210 100 L C 2.821 179.632 176.870 -0.098 0.000 1.092 100 L CA 1.717 56.464 54.840 -0.155 0.000 0.759 100 L CB -0.370 41.512 42.059 -0.294 0.000 0.903 100 L HN 0.157 nan 8.230 nan 0.000 0.435 101 S N -0.605 115.059 115.700 -0.060 0.000 2.515 101 S HA -0.080 4.389 4.470 -0.001 0.000 0.231 101 S C 1.298 175.895 174.600 -0.006 0.000 0.987 101 S CA 0.909 59.103 58.200 -0.010 0.000 0.936 101 S CB -0.197 63.016 63.200 0.022 0.000 0.766 101 S HN 0.605 nan 8.310 nan 0.000 0.528 102 K N 0.289 120.681 120.400 -0.013 0.000 2.537 102 K HA 0.351 4.670 4.320 -0.001 0.000 0.206 102 K C -0.527 176.073 176.600 0.001 0.000 1.041 102 K CA -0.246 56.041 56.287 -0.000 0.000 1.090 102 K CB 0.225 32.728 32.500 0.005 0.000 0.833 102 K HN -0.154 nan 8.250 nan 0.000 0.493 103 Q N 1.289 121.080 119.800 -0.015 0.000 2.457 103 Q HA -0.206 4.133 4.340 -0.001 0.000 0.283 103 Q C -1.175 174.844 176.000 0.032 0.000 1.234 103 Q CA 1.605 57.402 55.803 -0.011 0.000 0.877 103 Q CB -1.661 27.070 28.738 -0.011 0.000 1.250 103 Q HN 0.661 nan 8.270 nan 0.000 0.481 104 D N -2.562 117.866 120.400 0.046 0.000 2.668 104 D HA 0.276 4.915 4.640 -0.001 0.000 0.247 104 D C -2.253 174.127 176.300 0.134 0.000 1.268 104 D CA -1.690 52.376 54.000 0.110 0.000 0.842 104 D CB 0.988 41.843 40.800 0.092 0.000 1.399 104 D HN -0.155 nan 8.370 nan 0.000 0.530 105 P HA -0.076 nan 4.420 nan 0.000 0.214 105 P C 1.254 178.766 177.300 0.354 0.000 1.163 105 P CA 1.027 64.232 63.100 0.175 0.000 0.883 105 P CB 0.059 31.808 31.700 0.082 0.000 0.788 106 W N 0.611 122.085 121.300 0.290 0.000 2.331 106 W HA -0.172 4.487 4.660 -0.001 0.000 0.291 106 W C 2.561 179.131 176.519 0.085 0.000 1.214 106 W CA 1.783 59.162 57.345 0.056 0.000 1.228 106 W CB -1.397 28.015 29.460 -0.080 0.000 1.135 106 W HN 0.019 nan 8.180 nan 0.000 0.537 107 S N -0.960 114.914 115.700 0.290 0.000 2.555 107 S HA -0.132 4.337 4.470 -0.001 0.000 0.230 107 S C 1.181 175.821 174.600 0.067 0.000 0.978 107 S CA 1.337 59.629 58.200 0.153 0.000 0.934 107 S CB -0.262 62.998 63.200 0.100 0.000 0.766 107 S HN 0.123 nan 8.310 nan 0.000 0.533 108 D N 0.141 120.557 120.400 0.027 0.000 2.323 108 D HA 0.199 4.838 4.640 -0.001 0.000 0.209 108 D C -0.410 175.603 176.300 -0.477 0.000 0.973 108 D CA 0.547 54.392 54.000 -0.259 0.000 0.874 108 D CB 0.112 40.654 40.800 -0.430 0.000 0.930 108 D HN 0.520 nan 8.370 nan 0.000 0.521 109 Y N 0.245 120.583 120.300 0.063 0.000 2.528 109 Y HA 0.395 4.944 4.550 -0.001 0.000 0.335 109 Y C 0.569 176.508 175.900 0.067 0.000 1.093 109 Y CA -1.168 56.967 58.100 0.057 0.000 1.134 109 Y CB 1.297 39.775 38.460 0.030 0.000 1.253 109 Y HN -0.226 nan 8.280 nan 0.000 0.478 110 E N 0.692 121.018 120.200 0.210 0.000 2.359 110 E HA 0.560 4.909 4.350 -0.001 0.000 0.266 110 E C -1.310 175.350 176.600 0.101 0.000 0.920 110 E CA -1.440 55.031 56.400 0.119 0.000 0.788 110 E CB 2.287 32.021 29.700 0.058 0.000 1.279 110 E HN 0.595 nan 8.360 nan 0.000 0.438 111 R N 1.642 122.130 120.500 -0.021 0.000 2.410 111 R HA 0.527 4.866 4.340 -0.001 0.000 0.288 111 R C -0.312 175.887 176.300 -0.169 0.000 1.051 111 R CA -0.389 55.593 56.100 -0.197 0.000 1.021 111 R CB 0.585 30.494 30.300 -0.651 0.000 1.032 111 R HN 0.698 nan 8.270 nan 0.000 0.481 112 I N -0.470 120.001 120.570 -0.165 0.000 3.095 112 I HA 0.471 4.640 4.170 -0.001 0.000 0.310 112 I C -0.417 175.611 176.117 -0.149 0.000 1.196 112 I CA -1.177 60.053 61.300 -0.116 0.000 0.985 112 I CB 2.281 40.253 38.000 -0.045 0.000 1.250 112 I HN 0.712 nan 8.210 nan 0.000 0.446 113 S N 1.186 116.834 115.700 -0.087 0.000 2.624 113 S HA 0.259 4.728 4.470 -0.001 0.000 0.263 113 S C 0.244 174.826 174.600 -0.030 0.000 1.287 113 S CA -0.334 57.839 58.200 -0.044 0.000 0.990 113 S CB 0.758 63.969 63.200 0.019 0.000 0.950 113 S HN 0.890 nan 8.310 nan 0.000 0.561 114 W N 0.332 121.623 121.300 -0.014 0.000 2.409 114 W HA -0.002 4.657 4.660 -0.001 0.000 0.299 114 W C 2.235 178.719 176.519 -0.059 0.000 1.203 114 W CA 1.199 58.522 57.345 -0.037 0.000 1.298 114 W CB -0.332 29.101 29.460 -0.046 0.000 1.127 114 W HN 0.903 nan 8.180 nan 0.000 0.528 115 D N 0.092 120.617 120.400 0.208 0.000 2.149 115 D HA -0.243 4.397 4.640 -0.001 0.000 0.198 115 D C 1.875 178.221 176.300 0.078 0.000 0.990 115 D CA 1.623 55.687 54.000 0.107 0.000 0.839 115 D CB -0.072 40.774 40.800 0.077 0.000 0.948 115 D HN 0.187 nan 8.370 nan 0.000 0.460 116 E N -0.978 119.262 120.200 0.067 0.000 2.122 116 E HA -0.017 4.332 4.350 -0.001 0.000 0.190 116 E C 2.031 178.672 176.600 0.067 0.000 0.977 116 E CA 0.540 56.972 56.400 0.054 0.000 0.820 116 E CB -0.044 29.676 29.700 0.033 0.000 0.770 116 E HN 0.297 nan 8.360 nan 0.000 0.462 117 A N 0.832 123.682 122.820 0.050 0.000 1.883 117 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 117 A C 2.419 180.084 177.584 0.134 0.000 1.186 117 A CA 2.531 54.603 52.037 0.058 0.000 0.624 117 A CB -1.205 17.752 19.000 -0.070 0.000 0.822 117 A HN 0.475 nan 8.150 nan 0.000 0.444 118 T N -2.870 111.746 114.554 0.104 0.000 2.904 118 T HA -0.095 4.254 4.350 -0.001 0.000 0.267 118 T C 1.369 176.160 174.700 0.152 0.000 1.059 118 T CA 1.445 63.573 62.100 0.047 0.000 1.137 118 T CB -0.405 68.269 68.868 -0.323 0.000 0.879 118 T HN 0.308 nan 8.240 nan 0.000 0.467 119 D N 1.325 121.788 120.400 0.106 0.000 2.117 119 D HA 0.053 4.693 4.640 -0.001 0.000 0.197 119 D C 1.976 178.346 176.300 0.116 0.000 0.987 119 D CA 0.694 54.757 54.000 0.105 0.000 0.829 119 D CB -0.313 40.530 40.800 0.072 0.000 0.961 119 D HN 0.441 nan 8.370 nan 0.000 0.460 120 I N -0.038 120.604 120.570 0.119 0.000 2.202 120 I HA -0.211 3.958 4.170 -0.001 0.000 0.242 120 I C 2.299 178.469 176.117 0.088 0.000 1.091 120 I CA 0.544 61.899 61.300 0.093 0.000 1.368 120 I CB -0.109 37.971 38.000 0.133 0.000 1.058 120 I HN -0.095 nan 8.210 nan 0.000 0.410 121 V N 0.369 120.425 119.914 0.237 0.000 2.343 121 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 121 V C 2.439 178.693 176.094 0.268 0.000 1.051 121 V CA 1.486 63.980 62.300 0.324 0.000 1.036 121 V CB -0.456 31.595 31.823 0.380 0.000 0.654 121 V HN 0.236 nan 8.190 nan 0.000 0.451 122 V N 0.358 120.464 119.914 0.319 0.000 2.343 122 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 122 V C 2.713 178.905 176.094 0.164 0.000 1.051 122 V CA 2.026 64.494 62.300 0.280 0.000 1.036 122 V CB -1.091 30.905 31.823 0.288 0.000 0.654 122 V HN 0.566 nan 8.190 nan 0.000 0.451 123 A N -0.666 122.219 122.820 0.110 0.000 1.972 123 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 123 A C 2.201 179.808 177.584 0.038 0.000 1.169 123 A CA 1.582 53.655 52.037 0.060 0.000 0.635 123 A CB -0.343 18.674 19.000 0.029 0.000 0.810 123 A HN 0.523 nan 8.150 nan 0.000 0.446 124 E N -0.045 120.154 120.200 -0.001 0.000 2.072 124 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 124 E C 2.004 178.685 176.600 0.134 0.000 0.982 124 E CA 0.850 57.245 56.400 -0.008 0.000 0.803 124 E CB -0.389 29.169 29.700 -0.237 0.000 0.755 124 E HN 0.723 nan 8.360 nan 0.000 0.453 125 I N 1.838 122.513 120.570 0.174 0.000 2.142 125 I HA -0.301 3.868 4.170 -0.001 0.000 0.240 125 I C 1.908 178.101 176.117 0.128 0.000 1.078 125 I CA 1.081 62.499 61.300 0.197 0.000 1.343 125 I CB -0.331 37.801 38.000 0.221 0.000 1.046 125 I HN 0.036 nan 8.210 nan 0.000 0.405 126 N N 0.552 119.303 118.700 0.084 0.000 2.166 126 N HA -0.193 4.546 4.740 -0.001 0.000 0.186 126 N C 1.817 177.339 175.510 0.018 0.000 1.019 126 N CA 1.044 54.095 53.050 0.001 0.000 0.856 126 N CB -0.467 38.022 38.487 0.004 0.000 0.993 126 N HN 0.340 nan 8.380 nan 0.000 0.426 127 R N 0.964 121.511 120.500 0.078 0.000 2.070 127 R HA 0.026 4.366 4.340 -0.001 0.000 0.232 127 R C 2.140 178.520 176.300 0.133 0.000 1.138 127 R CA 1.041 57.202 56.100 0.101 0.000 0.936 127 R CB -0.357 30.001 30.300 0.096 0.000 0.839 127 R HN 0.123 nan 8.270 nan 0.000 0.429 128 I N 1.092 121.779 120.570 0.195 0.000 2.208 128 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 128 I C 2.353 178.621 176.117 0.253 0.000 1.097 128 I CA 1.617 63.103 61.300 0.311 0.000 1.363 128 I CB -0.270 37.931 38.000 0.334 0.000 1.051 128 I HN 0.268 nan 8.210 nan 0.000 0.413 129 K N -0.091 120.407 120.400 0.164 0.000 1.991 129 K HA -0.216 4.103 4.320 -0.001 0.000 0.212 129 K C 2.050 178.731 176.600 0.134 0.000 1.049 129 K CA 1.721 58.081 56.287 0.121 0.000 0.932 129 K CB -0.432 32.082 32.500 0.022 0.000 0.717 129 K HN 0.464 nan 8.250 nan 0.000 0.441 130 H N -0.846 118.256 119.070 0.053 0.000 2.521 130 H HA -0.034 4.521 4.556 -0.001 0.000 0.286 130 H C 1.744 177.036 175.328 -0.060 0.000 1.034 130 H CA 0.403 56.455 56.048 0.007 0.000 1.278 130 H CB 0.273 30.039 29.762 0.007 0.000 1.386 130 H HN 0.301 nan 8.280 nan 0.000 0.567 131 A N -0.356 122.456 122.820 -0.013 0.000 1.963 131 A HA 0.027 4.346 4.320 -0.001 0.000 0.207 131 A C 1.096 178.392 177.584 -0.479 0.000 1.243 131 A CA 0.387 52.220 52.037 -0.340 0.000 0.728 131 A CB 0.098 18.737 19.000 -0.601 0.000 0.895 131 A HN 0.291 nan 8.150 nan 0.000 0.467 132 Y N -1.116 119.256 120.300 0.120 0.000 2.526 132 Y HA 0.461 5.010 4.550 -0.001 0.000 0.265 132 Y C 1.279 177.253 175.900 0.123 0.000 1.092 132 Y CA -0.053 58.115 58.100 0.114 0.000 1.277 132 Y CB 0.341 38.875 38.460 0.123 0.000 1.228 132 Y HN 0.531 nan 8.280 nan 0.000 0.507 133 G N 0.305 109.261 108.800 0.260 0.000 2.555 133 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 133 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 133 G C -2.429 172.607 174.900 0.227 0.000 1.275 133 G CA -0.714 44.514 45.100 0.213 0.000 0.871 133 G HN -0.102 nan 8.290 nan 0.000 0.603 134 P HA -0.086 nan 4.420 nan 0.000 0.219 134 P C 2.123 179.549 177.300 0.209 0.000 1.146 134 P CA 2.356 65.570 63.100 0.189 0.000 0.808 134 P CB 0.007 31.799 31.700 0.153 0.000 0.779 135 S N -0.912 114.925 115.700 0.229 0.000 2.481 135 S HA -0.001 4.468 4.470 -0.001 0.000 0.231 135 S C 1.942 176.665 174.600 0.205 0.000 0.996 135 S CA 0.800 59.119 58.200 0.198 0.000 0.942 135 S CB -1.139 62.236 63.200 0.292 0.000 0.768 135 S HN 0.108 nan 8.310 nan 0.000 0.520 136 A N 1.095 124.054 122.820 0.231 0.000 2.209 136 A HA 0.371 4.690 4.320 -0.001 0.000 0.212 136 A C 0.916 178.627 177.584 0.211 0.000 1.158 136 A CA 0.200 52.359 52.037 0.203 0.000 0.742 136 A CB -0.525 18.616 19.000 0.235 0.000 0.790 136 A HN 0.626 nan 8.150 nan 0.000 0.472 137 I N 1.271 121.991 120.570 0.250 0.000 2.307 137 I HA 0.242 4.411 4.170 -0.001 0.000 0.287 137 I C -0.423 175.892 176.117 0.330 0.000 1.054 137 I CA -0.613 60.871 61.300 0.307 0.000 1.218 137 I CB 1.055 39.261 38.000 0.343 0.000 1.398 137 I HN 0.153 nan 8.210 nan 0.000 0.475 138 L N 6.265 127.663 121.223 0.291 0.000 2.375 138 L HA 0.613 4.952 4.340 -0.001 0.000 0.271 138 L C -0.004 177.195 176.870 0.549 0.000 1.107 138 L CA 0.683 55.676 54.840 0.256 0.000 0.806 138 L CB 1.534 43.523 42.059 -0.116 0.000 1.146 138 L HN 0.618 nan 8.230 nan 0.000 0.447 139 S N 2.111 118.177 115.700 0.609 0.000 2.552 139 S HA 0.721 5.190 4.470 -0.001 0.000 0.272 139 S C -1.174 173.831 174.600 0.675 0.000 1.150 139 S CA -0.132 58.494 58.200 0.709 0.000 0.849 139 S CB 1.260 64.758 63.200 0.497 0.000 1.113 139 S HN 1.049 nan 8.310 nan 0.000 0.458 140 T N 3.794 118.693 114.554 0.574 0.000 3.289 140 T HA 0.545 4.895 4.350 -0.001 0.000 0.370 140 T C -2.922 171.894 174.700 0.193 0.000 1.546 140 T CA -0.735 61.588 62.100 0.371 0.000 1.144 140 T CB 1.662 70.689 68.868 0.264 0.000 1.379 140 T HN 0.444 nan 8.240 nan 0.000 0.478 141 P HA 0.655 nan 4.420 nan 0.000 0.318 141 P C -0.249 177.089 177.300 0.063 0.000 1.387 141 P CA -0.096 62.938 63.100 -0.110 0.000 0.865 141 P CB 0.879 32.161 31.700 -0.698 0.000 2.164 142 S N -2.939 112.780 115.700 0.031 0.000 2.757 142 S HA 0.327 4.796 4.470 -0.001 0.000 0.285 142 S C 1.281 175.788 174.600 -0.156 0.000 1.196 142 S CA -0.244 57.890 58.200 -0.111 0.000 0.856 142 S CB 0.363 63.515 63.200 -0.081 0.000 1.212 142 S HN 0.216 nan 8.310 nan 0.000 0.516 143 S N 1.007 116.506 115.700 -0.334 0.000 2.351 143 S HA -0.036 4.433 4.470 -0.001 0.000 0.220 143 S C 0.445 174.861 174.600 -0.306 0.000 1.035 143 S CA 1.262 59.303 58.200 -0.266 0.000 1.031 143 S CB -0.440 62.547 63.200 -0.354 0.000 0.928 143 S HN 0.606 nan 8.310 nan 0.000 0.433 144 H N -0.079 119.067 119.070 0.127 0.000 2.525 144 H HA 0.500 5.055 4.556 -0.001 0.000 0.340 144 H C -0.185 175.223 175.328 0.134 0.000 1.168 144 H CA -0.172 56.016 56.048 0.232 0.000 1.247 144 H CB 0.983 30.923 29.762 0.296 0.000 1.568 144 H HN 0.284 nan 8.280 nan 0.000 0.536 145 H N 1.391 120.505 119.070 0.073 0.000 2.985 145 H HA 0.155 4.711 4.556 -0.001 0.000 0.360 145 H C -0.332 175.042 175.328 0.076 0.000 1.221 145 H CA -0.756 55.193 56.048 -0.165 0.000 1.121 145 H CB 1.774 30.967 29.762 -0.948 0.000 1.854 145 H HN 0.397 nan 8.280 nan 0.000 0.551 146 M N 1.733 121.370 119.600 0.063 0.000 2.251 146 M HA -0.127 4.353 4.480 -0.001 0.000 0.343 146 M C 0.698 177.281 176.300 0.471 0.000 1.245 146 M CA 0.481 55.950 55.300 0.281 0.000 1.061 146 M CB -0.250 32.457 32.600 0.179 0.000 1.723 146 M HN 0.440 nan 8.290 nan 0.000 0.449 147 W N 2.442 123.859 121.300 0.195 0.000 2.209 147 W HA 0.298 4.958 4.660 -0.001 0.000 0.344 147 W C 0.327 176.961 176.519 0.192 0.000 1.285 147 W CA 0.846 58.305 57.345 0.191 0.000 1.267 147 W CB 0.834 30.328 29.460 0.056 0.000 1.167 147 W HN 0.770 nan 8.180 nan 0.000 0.574 148 G N 3.569 112.232 108.800 -0.227 0.000 2.693 148 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.290 148 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.290 148 G C -0.163 174.657 174.900 -0.135 0.000 1.378 148 G CA -0.593 44.438 45.100 -0.115 0.000 1.120 148 G HN 0.510 nan 8.290 nan 0.000 0.609 149 N N 0.468 119.024 118.700 -0.240 0.000 2.058 149 N HA -0.094 4.645 4.740 -0.001 0.000 0.191 149 N C 2.646 178.045 175.510 -0.184 0.000 1.037 149 N CA 1.613 54.518 53.050 -0.242 0.000 0.848 149 N CB -0.137 38.151 38.487 -0.332 0.000 1.021 149 N HN 0.464 nan 8.380 nan 0.000 0.422 150 V N -0.087 119.654 119.914 -0.288 0.000 2.568 150 V HA -0.116 4.003 4.120 -0.001 0.000 0.253 150 V C 1.826 177.899 176.094 -0.034 0.000 1.072 150 V CA 1.916 64.098 62.300 -0.196 0.000 1.084 150 V CB -0.832 30.875 31.823 -0.192 0.000 0.676 150 V HN 0.459 nan 8.190 nan 0.000 0.469 151 G N -2.832 105.986 108.800 0.030 0.000 3.233 151 G HA2 0.068 4.027 3.960 -0.001 0.000 0.234 151 G HA3 0.068 4.027 3.960 -0.001 0.000 0.234 151 G C 0.152 175.063 174.900 0.018 0.000 1.137 151 G CA -0.285 44.884 45.100 0.114 0.000 0.763 151 G HN 0.407 nan 8.290 nan 0.000 0.549 152 Y N 1.891 122.066 120.300 -0.208 0.000 2.379 152 Y HA 0.160 4.709 4.550 -0.001 0.000 0.337 152 Y C 2.363 177.990 175.900 -0.454 0.000 1.238 152 Y CA -0.401 57.400 58.100 -0.498 0.000 1.405 152 Y CB 0.891 39.192 38.460 -0.265 0.000 1.310 152 Y HN 0.241 nan 8.280 nan 0.000 0.569 153 R N 1.713 121.694 120.500 -0.866 0.000 2.133 153 R HA -0.241 4.099 4.340 -0.001 0.000 0.247 153 R C 1.158 177.203 176.300 -0.425 0.000 1.151 153 R CA 2.277 57.995 56.100 -0.637 0.000 0.971 153 R CB -0.798 29.000 30.300 -0.837 0.000 0.866 153 R HN 0.770 nan 8.270 nan 0.000 0.447 154 H N -0.182 118.856 119.070 -0.053 0.000 2.491 154 H HA 0.005 4.560 4.556 -0.001 0.000 0.290 154 H C 1.804 177.310 175.328 0.297 0.000 1.050 154 H CA 1.474 57.640 56.048 0.198 0.000 1.309 154 H CB 0.324 30.324 29.762 0.396 0.000 1.392 154 H HN 0.402 nan 8.280 nan 0.000 0.554 155 S N -0.597 115.274 115.700 0.284 0.000 2.583 155 S HA -0.037 4.433 4.470 -0.001 0.000 0.203 155 S C 2.189 176.890 174.600 0.169 0.000 0.952 155 S CA 0.716 59.047 58.200 0.219 0.000 0.887 155 S CB -0.105 63.191 63.200 0.159 0.000 0.857 155 S HN 0.240 nan 8.310 nan 0.000 0.611 156 T N 1.054 115.712 114.554 0.174 0.000 2.732 156 T HA -0.009 4.340 4.350 -0.001 0.000 0.261 156 T C 1.527 176.386 174.700 0.265 0.000 1.040 156 T CA 1.604 63.890 62.100 0.310 0.000 1.145 156 T CB -0.655 68.481 68.868 0.447 0.000 0.866 156 T HN 0.504 nan 8.240 nan 0.000 0.427 157 Y N 1.154 121.452 120.300 -0.003 0.000 2.030 157 Y HA -0.223 4.326 4.550 -0.001 0.000 0.274 157 Y C 2.003 177.723 175.900 -0.300 0.000 1.153 157 Y CA 1.441 59.372 58.100 -0.282 0.000 1.115 157 Y CB -0.800 37.302 38.460 -0.596 0.000 0.969 157 Y HN 0.260 nan 8.280 nan 0.000 0.488 158 F N 0.015 119.887 119.950 -0.130 0.000 2.126 158 F HA -0.278 4.248 4.527 -0.001 0.000 0.299 158 F C 2.830 178.500 175.800 -0.217 0.000 1.096 158 F CA 1.287 59.147 58.000 -0.234 0.000 1.255 158 F CB -0.339 38.630 39.000 -0.052 0.000 0.997 158 F HN 0.037 nan 8.300 nan 0.000 0.479 159 R N -0.073 120.504 120.500 0.127 0.000 2.096 159 R HA -0.221 4.119 4.340 -0.001 0.000 0.235 159 R C 2.174 178.553 176.300 0.131 0.000 1.127 159 R CA 1.709 57.885 56.100 0.127 0.000 0.968 159 R CB -0.444 29.951 30.300 0.158 0.000 0.861 159 R HN 0.340 nan 8.270 nan 0.000 0.440 160 F N 0.287 120.141 119.950 -0.159 0.000 2.179 160 F HA -0.048 4.479 4.527 -0.001 0.000 0.292 160 F C 2.057 177.469 175.800 -0.647 0.000 1.089 160 F CA 0.881 58.583 58.000 -0.497 0.000 1.295 160 F CB -0.050 38.239 39.000 -1.184 0.000 1.041 160 F HN -0.101 nan 8.300 nan 0.000 0.487 161 M N 0.692 119.742 119.600 -0.916 0.000 2.159 161 M HA -0.226 4.253 4.480 -0.001 0.000 0.263 161 M C 1.749 177.620 176.300 -0.715 0.000 1.063 161 M CA 1.560 56.164 55.300 -1.161 0.000 1.110 161 M CB -1.854 29.641 32.600 -1.841 0.000 1.374 161 M HN 0.329 nan 8.290 nan 0.000 0.411 162 N N -0.225 118.248 118.700 -0.378 0.000 2.289 162 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 162 N C 1.554 176.973 175.510 -0.152 0.000 1.016 162 N CA 0.886 53.882 53.050 -0.089 0.000 0.872 162 N CB -0.060 38.382 38.487 -0.075 0.000 0.973 162 N HN 0.356 nan 8.380 nan 0.000 0.433 163 M N -0.458 118.956 119.600 -0.312 0.000 2.556 163 M HA 0.102 4.581 4.480 -0.001 0.000 0.245 163 M C 1.731 177.817 176.300 -0.356 0.000 1.128 163 M CA 0.430 55.559 55.300 -0.285 0.000 1.069 163 M CB 0.382 32.824 32.600 -0.264 0.000 1.469 163 M HN 0.246 nan 8.290 nan 0.000 0.494 164 M N -0.875 118.432 119.600 -0.488 0.000 2.999 164 M HA 0.243 4.722 4.480 -0.001 0.000 0.246 164 M C 1.056 177.291 176.300 -0.108 0.000 1.478 164 M CA 1.117 56.193 55.300 -0.374 0.000 1.243 164 M CB -0.011 32.202 32.600 -0.645 0.000 1.213 164 M HN 0.139 nan 8.290 nan 0.000 0.564 165 G N 0.046 108.836 108.800 -0.017 0.000 3.341 165 G HA2 0.570 4.529 3.960 -0.001 0.000 0.177 165 G HA3 0.570 4.529 3.960 -0.001 0.000 0.177 165 G C -0.923 174.153 174.900 0.294 0.000 1.236 165 G CA -0.105 45.123 45.100 0.214 0.000 0.888 165 G HN 0.534 nan 8.290 nan 0.000 0.644 166 F N -2.861 117.080 119.950 -0.013 0.000 2.829 166 F HA 0.569 5.095 4.527 -0.001 0.000 0.319 166 F C -1.173 174.667 175.800 0.067 0.000 1.153 166 F CA -1.117 56.906 58.000 0.039 0.000 0.912 166 F CB 1.105 40.109 39.000 0.006 0.000 1.292 166 F HN 0.396 nan 8.300 nan 0.000 0.447 167 T N 2.494 117.052 114.554 0.006 0.000 2.733 167 T HA 0.260 4.609 4.350 -0.001 0.000 0.294 167 T C -1.390 173.315 174.700 0.009 0.000 0.956 167 T CA -0.108 61.926 62.100 -0.109 0.000 0.987 167 T CB 0.153 69.031 68.868 0.015 0.000 0.920 167 T HN 0.538 nan 8.240 nan 0.000 0.470 168 Y N 2.943 123.051 120.300 -0.320 0.000 2.313 168 Y HA 0.500 5.049 4.550 -0.001 0.000 0.332 168 Y C 0.162 176.089 175.900 0.045 0.000 1.071 168 Y CA -1.866 56.226 58.100 -0.015 0.000 1.169 168 Y CB 0.692 39.093 38.460 -0.099 0.000 1.192 168 Y HN 0.673 nan 8.280 nan 0.000 0.487 169 A N 5.902 128.529 122.820 -0.322 0.000 3.015 169 A HA 0.169 4.488 4.320 -0.001 0.000 0.293 169 A C -0.189 177.014 177.584 -0.636 0.000 1.572 169 A CA -0.582 51.248 52.037 -0.345 0.000 1.274 169 A CB -0.879 18.021 19.000 -0.166 0.000 1.156 169 A HN 0.758 nan 8.150 nan 0.000 0.562 170 D N 1.572 121.685 120.400 -0.478 0.000 2.488 170 D HA -0.003 4.636 4.640 -0.001 0.000 0.238 170 D C 0.031 176.212 176.300 -0.199 0.000 1.138 170 D CA 0.692 54.441 54.000 -0.418 0.000 0.873 170 D CB 0.393 41.163 40.800 -0.051 0.000 1.183 170 D HN 0.526 nan 8.370 nan 0.000 0.458 171 H N 2.560 121.492 119.070 -0.230 0.000 2.722 171 H HA 0.085 4.640 4.556 -0.001 0.000 0.328 171 H C 0.608 175.943 175.328 0.012 0.000 1.067 171 H CA -0.409 55.555 56.048 -0.140 0.000 1.447 171 H CB 0.238 29.910 29.762 -0.151 0.000 1.469 171 H HN 0.385 nan 8.280 nan 0.000 0.544 172 N N 4.293 123.136 118.700 0.238 0.000 2.453 172 N HA 0.020 4.760 4.740 -0.001 0.000 0.253 172 N C -2.448 173.343 175.510 0.469 0.000 1.252 172 N CA -1.472 51.770 53.050 0.319 0.000 0.917 172 N CB 0.816 39.461 38.487 0.263 0.000 1.117 172 N HN 0.311 nan 8.380 nan 0.000 0.442 173 P HA 0.015 nan 4.420 nan 0.000 0.232 173 P C -0.061 177.474 177.300 0.392 0.000 1.738 173 P CA -0.174 63.138 63.100 0.354 0.000 0.948 173 P CB -0.345 31.168 31.700 -0.312 0.000 1.943 174 D N 0.295 120.896 120.400 0.336 0.000 2.204 174 D HA -0.258 4.381 4.640 -0.001 0.000 0.189 174 D C 1.459 177.778 176.300 0.031 0.000 1.006 174 D CA 1.905 56.000 54.000 0.158 0.000 0.855 174 D CB -1.387 39.443 40.800 0.050 0.000 0.946 174 D HN 0.132 nan 8.370 nan 0.000 0.448 175 S N -1.105 114.465 115.700 -0.218 0.000 2.399 175 S HA -0.088 4.381 4.470 -0.001 0.000 0.231 175 S C 1.523 175.793 174.600 -0.549 0.000 1.022 175 S CA 1.057 58.752 58.200 -0.842 0.000 0.983 175 S CB -0.391 61.664 63.200 -1.908 0.000 0.803 175 S HN 0.461 nan 8.310 nan 0.000 0.480 176 W N 1.431 122.778 121.300 0.078 0.000 3.114 176 W HA 0.206 4.865 4.660 -0.001 0.000 0.279 176 W C 1.359 178.100 176.519 0.370 0.000 1.277 176 W CA -0.418 57.139 57.345 0.353 0.000 1.630 176 W CB -0.376 29.226 29.460 0.237 0.000 1.087 176 W HN 0.233 nan 8.180 nan 0.000 0.637 177 E N 0.719 121.211 120.200 0.487 0.000 2.654 177 E HA -0.315 4.034 4.350 -0.001 0.000 0.247 177 E C 2.114 179.031 176.600 0.527 0.000 0.985 177 E CA 2.518 59.226 56.400 0.514 0.000 1.260 177 E CB -1.493 28.435 29.700 0.380 0.000 1.214 177 E HN 0.315 nan 8.360 nan 0.000 0.499 178 G N -0.142 108.859 108.800 0.334 0.000 2.476 178 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 178 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 178 G C 1.448 176.368 174.900 0.033 0.000 1.164 178 G CA 1.227 46.399 45.100 0.121 0.000 0.768 178 G HN 0.344 nan 8.290 nan 0.000 0.560 179 W N -0.419 121.009 121.300 0.213 0.000 2.402 179 W HA 0.078 4.737 4.660 -0.002 0.000 0.286 179 W C 2.422 178.996 176.519 0.091 0.000 1.221 179 W CA 0.784 58.200 57.345 0.118 0.000 1.257 179 W CB -0.456 29.119 29.460 0.192 0.000 1.120 179 W HN 0.266 nan 8.180 nan 0.000 0.551 180 H N -1.170 118.040 119.070 0.232 0.000 2.284 180 H HA -0.156 4.399 4.556 -0.001 0.000 0.304 180 H C 1.347 176.535 175.328 -0.233 0.000 1.069 180 H CA 2.087 58.073 56.048 -0.103 0.000 1.327 180 H CB -0.866 28.751 29.762 -0.243 0.000 1.387 180 H HN 0.209 nan 8.280 nan 0.000 0.498 181 W N 0.198 121.720 121.300 0.370 0.000 2.770 181 W HA 0.178 4.838 4.660 -0.001 0.000 0.256 181 W C 2.364 179.012 176.519 0.216 0.000 1.291 181 W CA 0.646 58.165 57.345 0.289 0.000 1.396 181 W CB 0.170 29.809 29.460 0.300 0.000 1.114 181 W HN 0.322 nan 8.180 nan 0.000 0.637 182 G N -1.020 107.950 108.800 0.283 0.000 2.868 182 G HA2 0.101 4.060 3.960 -0.001 0.000 0.201 182 G HA3 0.101 4.060 3.960 -0.001 0.000 0.201 182 G C 1.605 176.515 174.900 0.017 0.000 1.130 182 G CA 0.385 45.605 45.100 0.200 0.000 0.777 182 G HN 0.178 nan 8.290 nan 0.000 0.680 183 G N 1.046 109.772 108.800 -0.122 0.000 2.450 183 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.220 183 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.220 183 G C 1.759 176.604 174.900 -0.092 0.000 1.130 183 G CA 1.224 46.177 45.100 -0.245 0.000 0.760 183 G HN 0.347 nan 8.290 nan 0.000 0.557 184 M N -0.023 119.541 119.600 -0.061 0.000 2.106 184 M HA -0.144 4.335 4.480 -0.001 0.000 0.259 184 M C 2.355 178.572 176.300 -0.138 0.000 1.068 184 M CA 1.440 56.673 55.300 -0.112 0.000 1.100 184 M CB -0.262 32.090 32.600 -0.414 0.000 1.351 184 M HN 0.310 nan 8.290 nan 0.000 0.404 185 H N -1.130 117.942 119.070 0.004 0.000 2.491 185 H HA -0.117 4.438 4.556 -0.001 0.000 0.290 185 H C 1.909 177.247 175.328 0.016 0.000 1.050 185 H CA 1.645 57.697 56.048 0.007 0.000 1.309 185 H CB -0.406 29.360 29.762 0.007 0.000 1.392 185 H HN 0.529 nan 8.280 nan 0.000 0.554 186 M N -0.050 119.585 119.600 0.058 0.000 2.357 186 M HA -0.064 4.415 4.480 -0.001 0.000 0.266 186 M C 0.947 177.303 176.300 0.092 0.000 1.095 186 M CA 1.165 56.442 55.300 -0.038 0.000 1.156 186 M CB 0.393 32.812 32.600 -0.301 0.000 1.365 186 M HN 0.322 nan 8.290 nan 0.000 0.447 187 W N -0.563 120.698 121.300 -0.065 0.000 2.055 187 W HA 0.617 5.276 4.660 -0.001 0.000 0.293 187 W C 0.215 176.695 176.519 -0.065 0.000 0.886 187 W CA -0.234 57.078 57.345 -0.055 0.000 1.384 187 W CB -1.146 28.297 29.460 -0.028 0.000 1.068 187 W HN 0.425 nan 8.180 nan 0.000 0.513 188 G N 1.980 110.924 108.800 0.240 0.000 2.509 188 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 188 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 188 G C 0.245 175.037 174.900 -0.181 0.000 1.152 188 G CA 0.557 45.624 45.100 -0.055 0.000 0.951 188 G HN 0.605 nan 8.290 nan 0.000 0.559 189 F N 0.368 119.856 119.950 -0.771 0.000 3.080 189 F HA -0.224 4.302 4.527 -0.001 0.000 0.292 189 F C 2.196 177.335 175.800 -1.101 0.000 0.891 189 F CA 1.705 58.821 58.000 -1.474 0.000 1.086 189 F CB -1.872 36.478 39.000 -1.083 0.000 1.095 189 F HN 1.332 nan 8.300 nan 0.000 0.633 190 S N -0.446 114.898 115.700 -0.594 0.000 2.399 190 S HA -0.228 4.241 4.470 -0.001 0.000 0.231 190 S C 1.530 175.982 174.600 -0.245 0.000 1.022 190 S CA 1.122 59.127 58.200 -0.325 0.000 0.983 190 S CB -0.793 62.303 63.200 -0.173 0.000 0.803 190 S HN 0.710 nan 8.310 nan 0.000 0.480 191 W N 1.378 122.638 121.300 -0.067 0.000 2.848 191 W HA 0.338 4.998 4.660 -0.001 0.000 0.241 191 W C 1.457 177.931 176.519 -0.075 0.000 1.289 191 W CA -0.204 57.118 57.345 -0.038 0.000 1.396 191 W CB -0.300 29.166 29.460 0.010 0.000 1.138 191 W HN 0.105 nan 8.180 nan 0.000 0.677 192 R N 0.602 120.792 120.500 -0.517 0.000 2.590 192 R HA 0.238 4.577 4.340 -0.001 0.000 0.410 192 R C 0.514 176.545 176.300 -0.448 0.000 1.010 192 R CA -0.323 55.535 56.100 -0.403 0.000 1.155 192 R CB -0.125 29.894 30.300 -0.469 0.000 1.455 192 R HN 0.170 nan 8.270 nan 0.000 0.567 193 L N 0.344 121.257 121.223 -0.516 0.000 3.781 193 L HA -0.318 4.021 4.340 -0.001 0.000 0.426 193 L C 0.793 177.538 176.870 -0.208 0.000 1.197 193 L CA 0.919 55.426 54.840 -0.554 0.000 0.907 193 L CB -1.857 39.439 42.059 -1.272 0.000 1.812 193 L HN 0.688 nan 8.230 nan 0.000 0.956 194 G N -2.268 106.447 108.800 -0.141 0.000 2.194 194 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.236 194 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.236 194 G C 0.238 175.273 174.900 0.226 0.000 0.987 194 G CA 0.269 45.471 45.100 0.170 0.000 0.635 194 G HN 0.412 nan 8.290 nan 0.000 0.520 195 N N 1.981 120.612 118.700 -0.116 0.000 2.513 195 N HA 0.536 5.276 4.740 -0.001 0.000 0.274 195 N C -2.161 172.860 175.510 -0.815 0.000 1.189 195 N CA -1.313 51.467 53.050 -0.451 0.000 0.975 195 N CB 1.521 39.745 38.487 -0.438 0.000 1.157 195 N HN 0.237 nan 8.380 nan 0.000 0.465 196 P HA 0.160 nan 4.420 nan 0.000 0.282 196 P C -0.543 176.259 177.300 -0.829 0.000 1.259 196 P CA -0.398 61.898 63.100 -1.340 0.000 0.826 196 P CB 1.160 32.346 31.700 -0.857 0.000 1.064 197 E N 0.536 120.338 120.200 -0.663 0.000 2.404 197 E HA -0.020 4.329 4.350 -0.001 0.000 0.261 197 E C 0.377 176.839 176.600 -0.229 0.000 1.074 197 E CA -0.009 56.283 56.400 -0.181 0.000 0.917 197 E CB 0.380 30.241 29.700 0.268 0.000 0.965 197 E HN 0.289 nan 8.360 nan 0.000 0.433 198 Q N 2.039 121.648 119.800 -0.318 0.000 2.081 198 Q HA 0.046 4.386 4.340 -0.001 0.000 0.220 198 Q C -0.849 175.035 176.000 -0.193 0.000 0.775 198 Q CA -0.178 55.485 55.803 -0.234 0.000 0.983 198 Q CB 0.352 28.940 28.738 -0.250 0.000 1.188 198 Q HN 0.555 nan 8.270 nan 0.000 0.458 199 Y N 2.634 122.858 120.300 -0.127 0.000 2.987 199 Y HA -0.186 4.363 4.550 -0.001 0.000 0.339 199 Y C 0.962 176.860 175.900 -0.003 0.000 1.272 199 Y CA 0.761 58.784 58.100 -0.129 0.000 1.562 199 Y CB 0.110 38.433 38.460 -0.229 0.000 1.253 199 Y HN 0.150 nan 8.280 nan 0.000 0.604 200 D N 1.436 121.999 120.400 0.272 0.000 2.811 200 D HA -0.260 4.380 4.640 -0.001 0.000 0.231 200 D C 0.812 177.054 176.300 -0.096 0.000 1.157 200 D CA 0.848 54.917 54.000 0.116 0.000 0.716 200 D CB -0.867 40.032 40.800 0.166 0.000 1.077 200 D HN 0.650 nan 8.370 nan 0.000 0.428 201 L N -0.550 120.528 121.223 -0.243 0.000 2.341 201 L HA -0.060 4.279 4.340 -0.001 0.000 0.214 201 L C 2.440 178.738 176.870 -0.952 0.000 1.115 201 L CA 0.111 54.570 54.840 -0.636 0.000 0.820 201 L CB -0.086 41.407 42.059 -0.943 0.000 0.944 201 L HN 0.131 nan 8.230 nan 0.000 0.452 202 L N 0.566 121.469 121.223 -0.533 0.000 1.994 202 L HA -0.250 4.089 4.340 -0.001 0.000 0.208 202 L C 2.458 179.120 176.870 -0.347 0.000 1.071 202 L CA 2.062 56.689 54.840 -0.356 0.000 0.745 202 L CB -0.499 41.499 42.059 -0.102 0.000 0.892 202 L HN 0.287 nan 8.230 nan 0.000 0.431 203 E N -1.012 119.029 120.200 -0.264 0.000 2.110 203 E HA -0.303 4.046 4.350 -0.001 0.000 0.193 203 E C 1.861 178.340 176.600 -0.202 0.000 0.988 203 E CA 1.510 57.798 56.400 -0.187 0.000 0.804 203 E CB -0.204 29.425 29.700 -0.118 0.000 0.745 203 E HN 0.677 nan 8.360 nan 0.000 0.458 204 D N -0.693 119.573 120.400 -0.223 0.000 2.117 204 D HA -0.094 4.545 4.640 -0.001 0.000 0.197 204 D C 1.890 178.110 176.300 -0.134 0.000 0.987 204 D CA 1.661 55.606 54.000 -0.091 0.000 0.829 204 D CB -0.434 40.337 40.800 -0.048 0.000 0.961 204 D HN 0.285 nan 8.370 nan 0.000 0.460 205 G N 0.191 108.675 108.800 -0.527 0.000 2.404 205 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.215 205 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.215 205 G C 1.733 176.534 174.900 -0.165 0.000 1.174 205 G CA 0.510 45.265 45.100 -0.576 0.000 0.780 205 G HN 0.319 nan 8.290 nan 0.000 0.537 206 L N -0.051 121.060 121.223 -0.185 0.000 2.042 206 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 206 L C 2.958 179.753 176.870 -0.125 0.000 1.076 206 L CA 1.388 56.133 54.840 -0.158 0.000 0.749 206 L CB -0.270 41.600 42.059 -0.316 0.000 0.893 206 L HN 0.178 nan 8.230 nan 0.000 0.432 207 K N -1.390 118.887 120.400 -0.206 0.000 2.155 207 K HA -0.094 4.225 4.320 -0.001 0.000 0.203 207 K C 1.776 178.119 176.600 -0.428 0.000 1.052 207 K CA 0.917 56.992 56.287 -0.354 0.000 0.948 207 K CB 0.065 32.211 32.500 -0.590 0.000 0.728 207 K HN 0.431 nan 8.250 nan 0.000 0.448 208 H N -1.337 117.781 119.070 0.080 0.000 3.017 208 H HA 0.263 4.818 4.556 -0.001 0.000 0.255 208 H C 0.288 175.738 175.328 0.203 0.000 0.990 208 H CA -0.010 56.115 56.048 0.128 0.000 1.205 208 H CB 0.161 30.000 29.762 0.129 0.000 1.460 208 H HN 0.030 nan 8.280 nan 0.000 0.478 209 A N 1.666 124.718 122.820 0.386 0.000 2.565 209 A HA 0.017 4.336 4.320 -0.001 0.000 0.237 209 A C 0.758 178.499 177.584 0.261 0.000 1.053 209 A CA 0.502 52.798 52.037 0.432 0.000 0.755 209 A CB 0.313 19.537 19.000 0.374 0.000 0.980 209 A HN 0.498 nan 8.150 nan 0.000 0.506 210 E N 0.749 121.085 120.200 0.227 0.000 2.467 210 E HA 0.257 4.606 4.350 -0.001 0.000 0.213 210 E C 0.047 176.730 176.600 0.139 0.000 0.823 210 E CA 0.164 56.654 56.400 0.150 0.000 1.233 210 E CB 0.588 30.358 29.700 0.117 0.000 1.233 210 E HN 0.789 nan 8.360 nan 0.000 0.585 211 M N 1.105 120.798 119.600 0.155 0.000 2.465 211 M HA 0.449 4.928 4.480 -0.001 0.000 0.284 211 M C -2.144 174.211 176.300 0.092 0.000 1.212 211 M CA -0.487 54.882 55.300 0.114 0.000 0.910 211 M CB 2.352 34.973 32.600 0.035 0.000 1.725 211 M HN -0.121 nan 8.290 nan 0.000 0.477 212 I N 3.624 124.218 120.570 0.039 0.000 2.534 212 I HA 0.406 4.575 4.170 -0.001 0.000 0.288 212 I C -1.143 174.716 176.117 -0.431 0.000 1.077 212 I CA -0.943 60.227 61.300 -0.216 0.000 1.051 212 I CB 2.312 40.106 38.000 -0.344 0.000 1.234 212 I HN 0.357 nan 8.210 nan 0.000 0.425 213 V N 6.718 126.306 119.914 -0.543 0.000 2.318 213 V HA 0.303 4.422 4.120 -0.001 0.000 0.271 213 V C -0.436 175.405 176.094 -0.422 0.000 1.030 213 V CA -0.366 61.666 62.300 -0.447 0.000 0.844 213 V CB 0.605 32.121 31.823 -0.512 0.000 1.015 213 V HN 0.368 nan 8.190 nan 0.000 0.460 214 F N 4.576 124.285 119.950 -0.401 0.000 2.404 214 F HA 0.306 4.832 4.527 -0.001 0.000 0.359 214 F C 0.137 175.903 175.800 -0.055 0.000 1.134 214 F CA -0.186 57.579 58.000 -0.391 0.000 1.160 214 F CB 0.547 38.899 39.000 -1.080 0.000 1.186 214 F HN 0.491 nan 8.300 nan 0.000 0.526 215 W N 4.119 125.532 121.300 0.188 0.000 2.318 215 W HA 0.283 4.943 4.660 -0.001 0.000 0.315 215 W C 0.588 177.353 176.519 0.410 0.000 1.033 215 W CA -1.263 56.297 57.345 0.359 0.000 1.275 215 W CB 1.475 31.233 29.460 0.497 0.000 1.250 215 W HN 0.516 nan 8.180 nan 0.000 0.421 216 S N 3.610 119.664 115.700 0.590 0.000 3.682 216 S HA -0.221 4.248 4.470 -0.001 0.000 0.354 216 S C -0.359 174.419 174.600 0.297 0.000 1.034 216 S CA 1.419 59.807 58.200 0.314 0.000 1.084 216 S CB -1.234 61.963 63.200 -0.004 0.000 0.903 216 S HN 0.591 nan 8.310 nan 0.000 0.470 217 S N 0.727 116.609 115.700 0.304 0.000 2.557 217 S HA 0.618 5.088 4.470 -0.001 0.000 0.291 217 S C -1.400 173.314 174.600 0.190 0.000 1.116 217 S CA -0.330 58.018 58.200 0.247 0.000 0.992 217 S CB 1.863 65.247 63.200 0.307 0.000 1.028 217 S HN 0.429 nan 8.310 nan 0.000 0.484 218 D N 4.801 125.265 120.400 0.107 0.000 2.621 218 D HA 0.390 5.029 4.640 -0.001 0.000 0.274 218 D C -2.080 174.222 176.300 0.004 0.000 1.215 218 D CA -1.801 52.230 54.000 0.051 0.000 0.810 218 D CB 1.391 42.220 40.800 0.048 0.000 1.248 218 D HN 0.223 nan 8.370 nan 0.000 0.517 219 P HA -0.159 nan 4.420 nan 0.000 0.216 219 P C 1.289 178.560 177.300 -0.048 0.000 1.154 219 P CA 1.019 64.085 63.100 -0.057 0.000 0.865 219 P CB 0.492 32.132 31.700 -0.100 0.000 0.789 220 E N -0.938 119.247 120.200 -0.025 0.000 2.085 220 E HA -0.129 4.220 4.350 -0.001 0.000 0.194 220 E C 1.973 178.605 176.600 0.054 0.000 0.994 220 E CA 1.541 57.981 56.400 0.067 0.000 0.801 220 E CB -1.274 28.461 29.700 0.059 0.000 0.743 220 E HN 0.300 nan 8.360 nan 0.000 0.453 221 T N 1.804 116.364 114.554 0.010 0.000 2.732 221 T HA -0.033 4.317 4.350 -0.001 0.000 0.261 221 T C 1.595 176.230 174.700 -0.108 0.000 1.040 221 T CA 0.996 63.068 62.100 -0.047 0.000 1.145 221 T CB -0.103 68.780 68.868 0.023 0.000 0.866 221 T HN 0.125 nan 8.240 nan 0.000 0.427 222 N N 1.118 119.768 118.700 -0.084 0.000 2.376 222 N HA -0.038 4.701 4.740 -0.001 0.000 0.177 222 N C 1.286 176.734 175.510 -0.103 0.000 1.024 222 N CA 1.091 54.084 53.050 -0.094 0.000 0.893 222 N CB -0.002 38.442 38.487 -0.071 0.000 0.980 222 N HN 0.534 nan 8.380 nan 0.000 0.439 223 S N -1.240 114.392 115.700 -0.115 0.000 3.358 223 S HA -0.242 4.227 4.470 -0.001 0.000 0.309 223 S C 1.155 175.702 174.600 -0.089 0.000 1.247 223 S CA 2.016 60.139 58.200 -0.128 0.000 0.961 223 S CB -1.995 61.091 63.200 -0.190 0.000 1.074 223 S HN 0.771 nan 8.310 nan 0.000 0.625 224 G N 1.092 109.859 108.800 -0.055 0.000 5.353 224 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.283 224 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.283 224 G C 0.099 175.035 174.900 0.060 0.000 1.457 224 G CA 0.177 45.258 45.100 -0.032 0.000 0.951 224 G HN 1.992 nan 8.290 nan 0.000 0.731 225 I N -2.092 118.465 120.570 -0.021 0.000 2.661 225 I HA 0.348 4.517 4.170 -0.001 0.000 0.290 225 I C 0.570 176.630 176.117 -0.094 0.000 1.734 225 I CA -0.142 61.072 61.300 -0.143 0.000 1.018 225 I CB 0.383 38.288 38.000 -0.159 0.000 1.532 225 I HN 1.095 nan 8.210 nan 0.000 0.488 226 Y N 3.186 123.526 120.300 0.066 0.000 4.851 226 Y HA -0.329 4.220 4.550 -0.001 0.000 0.235 226 Y C 1.177 177.103 175.900 0.044 0.000 0.998 226 Y CA 0.770 58.870 58.100 -0.001 0.000 1.980 226 Y CB -1.578 36.867 38.460 -0.026 0.000 1.561 226 Y HN 0.678 nan 8.280 nan 0.000 0.585 227 A N 0.505 123.389 122.820 0.108 0.000 2.577 227 A HA 0.568 4.887 4.320 -0.001 0.000 0.280 227 A C 1.702 179.301 177.584 0.024 0.000 1.331 227 A CA 0.917 52.975 52.037 0.034 0.000 0.935 227 A CB -0.814 18.113 19.000 -0.123 0.000 1.082 227 A HN 1.146 nan 8.150 nan 0.000 0.525 228 G N 0.448 109.211 108.800 -0.060 0.000 2.685 228 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.329 228 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.329 228 G C 0.274 174.803 174.900 -0.618 0.000 1.271 228 G CA 1.302 46.208 45.100 -0.323 0.000 1.003 228 G HN 0.729 nan 8.290 nan 0.000 0.549 229 F N 1.662 121.613 119.950 0.002 0.000 2.850 229 F HA 0.369 4.895 4.527 -0.001 0.000 0.329 229 F C 1.767 177.547 175.800 -0.033 0.000 1.182 229 F CA 0.065 58.041 58.000 -0.040 0.000 1.270 229 F CB 0.949 39.909 39.000 -0.066 0.000 0.979 229 F HN 0.259 nan 8.300 nan 0.000 0.506 230 E N 0.343 120.595 120.200 0.087 0.000 2.130 230 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 230 E C 2.189 178.796 176.600 0.011 0.000 0.998 230 E CA 1.863 58.297 56.400 0.057 0.000 0.806 230 E CB -0.248 29.445 29.700 -0.012 0.000 0.738 230 E HN 0.426 nan 8.360 nan 0.000 0.459 231 S N 0.646 116.335 115.700 -0.019 0.000 2.593 231 S HA -0.024 4.445 4.470 -0.001 0.000 0.217 231 S C 1.553 176.096 174.600 -0.094 0.000 0.966 231 S CA 0.304 58.467 58.200 -0.061 0.000 0.914 231 S CB -0.159 62.992 63.200 -0.080 0.000 0.776 231 S HN 0.179 nan 8.310 nan 0.000 0.523 232 N N 2.220 120.891 118.700 -0.049 0.000 2.094 232 N HA -0.155 4.584 4.740 -0.001 0.000 0.191 232 N C 1.633 177.044 175.510 -0.165 0.000 1.023 232 N CA 1.721 54.729 53.050 -0.070 0.000 0.857 232 N CB -0.348 38.123 38.487 -0.026 0.000 1.013 232 N HN 0.625 nan 8.380 nan 0.000 0.426 233 I N 0.680 121.086 120.570 -0.274 0.000 2.676 233 I HA -0.132 4.037 4.170 -0.001 0.000 0.259 233 I C 2.129 177.710 176.117 -0.893 0.000 1.194 233 I CA 0.507 61.493 61.300 -0.523 0.000 1.473 233 I CB -0.021 37.633 38.000 -0.578 0.000 1.096 233 I HN 0.134 nan 8.210 nan 0.000 0.443 234 R N 0.258 120.378 120.500 -0.634 0.000 2.092 234 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 234 R C 2.279 178.563 176.300 -0.026 0.000 1.119 234 R CA 1.113 57.000 56.100 -0.355 0.000 0.970 234 R CB -0.262 29.999 30.300 -0.065 0.000 0.864 234 R HN 0.337 nan 8.270 nan 0.000 0.440 235 R N 0.153 120.632 120.500 -0.035 0.000 2.153 235 R HA -0.090 4.249 4.340 -0.001 0.000 0.218 235 R C 2.222 178.676 176.300 0.257 0.000 1.072 235 R CA 0.889 57.080 56.100 0.152 0.000 0.990 235 R CB -0.036 30.283 30.300 0.031 0.000 0.889 235 R HN 0.096 nan 8.270 nan 0.000 0.452 236 Q N 0.282 120.124 119.800 0.070 0.000 2.050 236 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 236 Q C 1.506 177.659 176.000 0.255 0.000 0.980 236 Q CA 1.661 57.524 55.803 0.099 0.000 0.840 236 Q CB -0.165 28.558 28.738 -0.026 0.000 0.898 236 Q HN 0.277 nan 8.270 nan 0.000 0.424 237 W N 0.435 121.837 121.300 0.170 0.000 2.335 237 W HA -0.149 4.510 4.660 -0.001 0.000 0.311 237 W C 2.076 178.668 176.519 0.121 0.000 1.213 237 W CA 0.836 58.292 57.345 0.184 0.000 1.274 237 W CB -1.213 28.268 29.460 0.035 0.000 1.148 237 W HN 0.248 nan 8.180 nan 0.000 0.498 238 L N 0.183 121.631 121.223 0.376 0.000 2.046 238 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 238 L C 2.574 179.541 176.870 0.161 0.000 1.077 238 L CA 1.746 56.766 54.840 0.298 0.000 0.747 238 L CB -0.941 41.396 42.059 0.462 0.000 0.896 238 L HN -0.073 nan 8.230 nan 0.000 0.432 239 K N 0.079 120.550 120.400 0.120 0.000 2.032 239 K HA -0.210 4.109 4.320 -0.001 0.000 0.209 239 K C 1.495 178.087 176.600 -0.013 0.000 1.048 239 K CA 1.853 58.063 56.287 -0.129 0.000 0.927 239 K CB -0.015 32.462 32.500 -0.038 0.000 0.712 239 K HN 0.254 nan 8.250 nan 0.000 0.441 240 D N 0.513 120.980 120.400 0.112 0.000 2.371 240 D HA -0.075 4.564 4.640 -0.001 0.000 0.221 240 D C 1.416 177.793 176.300 0.128 0.000 0.986 240 D CA 0.629 54.705 54.000 0.126 0.000 0.899 240 D CB 0.195 41.111 40.800 0.194 0.000 0.902 240 D HN 0.283 nan 8.370 nan 0.000 0.530 241 L N -0.718 120.587 121.223 0.136 0.000 2.592 241 L HA 0.173 4.512 4.340 -0.001 0.000 0.227 241 L C 1.385 178.299 176.870 0.073 0.000 1.127 241 L CA 0.312 55.229 54.840 0.128 0.000 0.884 241 L CB 0.240 42.390 42.059 0.151 0.000 1.065 241 L HN 0.119 nan 8.230 nan 0.000 0.457 242 G N -0.058 108.759 108.800 0.028 0.000 2.141 242 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.231 242 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.231 242 G C 0.178 175.066 174.900 -0.021 0.000 0.984 242 G CA -0.062 45.038 45.100 0.000 0.000 0.660 242 G HN 0.058 nan 8.290 nan 0.000 0.525 243 V N 1.821 121.711 119.914 -0.040 0.000 2.508 243 V HA 0.298 4.417 4.120 -0.001 0.000 0.281 243 V C 0.382 176.365 176.094 -0.185 0.000 1.041 243 V CA -0.472 61.817 62.300 -0.020 0.000 1.016 243 V CB 1.252 33.149 31.823 0.123 0.000 0.984 243 V HN 0.277 nan 8.190 nan 0.000 0.478 244 D N 4.335 124.719 120.400 -0.026 0.000 2.304 244 D HA 0.337 4.976 4.640 -0.001 0.000 0.250 244 D C -0.420 176.021 176.300 0.235 0.000 1.107 244 D CA 0.301 54.300 54.000 -0.002 0.000 0.885 244 D CB 1.016 41.850 40.800 0.056 0.000 1.192 244 D HN 0.388 nan 8.370 nan 0.000 0.436 245 F N 1.229 121.276 119.950 0.162 0.000 2.426 245 F HA 0.351 4.878 4.527 -0.001 0.000 0.348 245 F C 0.144 176.090 175.800 0.244 0.000 1.124 245 F CA -1.022 57.140 58.000 0.270 0.000 1.008 245 F CB 1.678 40.940 39.000 0.437 0.000 1.139 245 F HN -0.138 nan 8.300 nan 0.000 0.452 246 V N 4.376 124.460 119.914 0.284 0.000 2.540 246 V HA 0.406 4.525 4.120 -0.001 0.000 0.302 246 V C -0.771 175.322 176.094 -0.001 0.000 1.035 246 V CA -0.840 61.536 62.300 0.126 0.000 0.873 246 V CB 1.951 33.741 31.823 -0.056 0.000 0.992 246 V HN 0.439 nan 8.190 nan 0.000 0.428 247 F N 4.519 124.480 119.950 0.018 0.000 2.482 247 F HA 0.653 5.179 4.527 -0.001 0.000 0.331 247 F C 0.099 175.919 175.800 0.034 0.000 1.115 247 F CA -0.848 57.207 58.000 0.093 0.000 0.955 247 F CB 1.683 40.752 39.000 0.115 0.000 1.136 247 F HN 0.219 nan 8.300 nan 0.000 0.452 248 I N 3.585 124.220 120.570 0.108 0.000 2.420 248 I HA 0.351 4.520 4.170 -0.001 0.000 0.282 248 I C -1.214 174.977 176.117 0.124 0.000 1.019 248 I CA -0.293 60.979 61.300 -0.047 0.000 1.130 248 I CB 1.324 38.915 38.000 -0.682 0.000 1.262 248 I HN 0.461 nan 8.210 nan 0.000 0.454 249 D N 7.923 128.487 120.400 0.272 0.000 2.878 249 D HA 0.216 4.855 4.640 -0.001 0.000 0.211 249 D C -2.437 174.098 176.300 0.392 0.000 1.271 249 D CA -1.418 52.778 54.000 0.326 0.000 0.845 249 D CB 3.269 44.277 40.800 0.346 0.000 1.679 249 D HN 0.011 nan 8.370 nan 0.000 0.536 250 P HA -0.111 nan 4.420 nan 0.000 0.216 250 P C -0.023 177.546 177.300 0.449 0.000 1.150 250 P CA 1.217 64.479 63.100 0.270 0.000 0.843 250 P CB -0.000 31.816 31.700 0.194 0.000 0.787 251 H N -0.986 118.255 119.070 0.286 0.000 2.459 251 H HA 0.350 4.905 4.556 -0.001 0.000 0.332 251 H C -0.266 175.042 175.328 -0.032 0.000 1.094 251 H CA -1.192 54.925 56.048 0.115 0.000 1.224 251 H CB 0.726 30.416 29.762 -0.120 0.000 1.449 251 H HN -0.163 nan 8.280 nan 0.000 0.484 252 M N 6.175 125.340 119.600 -0.725 0.000 2.869 252 M HA -0.024 4.455 4.480 -0.001 0.000 0.299 252 M C -0.374 175.118 176.300 -1.346 0.000 1.508 252 M CA -0.352 54.044 55.300 -1.507 0.000 1.551 252 M CB -0.758 30.641 32.600 -2.001 0.000 1.384 252 M HN 0.676 nan 8.290 nan 0.000 0.491 253 N N 2.062 120.152 118.700 -1.016 0.000 2.235 253 N HA -0.065 4.674 4.740 -0.001 0.000 0.231 253 N C 0.585 175.632 175.510 -0.772 0.000 1.330 253 N CA 0.273 52.775 53.050 -0.913 0.000 0.898 253 N CB 0.266 38.517 38.487 -0.393 0.000 1.151 253 N HN 0.459 nan 8.380 nan 0.000 0.472 254 H N -1.283 117.585 119.070 -0.336 0.000 2.421 254 H HA -0.055 4.500 4.556 -0.001 0.000 0.298 254 H C 1.294 176.434 175.328 -0.312 0.000 1.087 254 H CA 1.882 57.766 56.048 -0.274 0.000 1.330 254 H CB -0.560 29.108 29.762 -0.157 0.000 1.388 254 H HN 0.629 nan 8.280 nan 0.000 0.526 255 T N 0.941 115.357 114.554 -0.231 0.000 2.812 255 T HA -0.024 4.326 4.350 -0.001 0.000 0.264 255 T C 2.394 176.681 174.700 -0.689 0.000 1.042 255 T CA 1.096 63.009 62.100 -0.310 0.000 1.140 255 T CB -0.312 68.441 68.868 -0.192 0.000 0.870 255 T HN 0.439 nan 8.240 nan 0.000 0.445 256 A N 2.086 124.217 122.820 -1.149 0.000 1.877 256 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 256 A C 2.333 179.421 177.584 -0.827 0.000 1.186 256 A CA 1.492 52.546 52.037 -1.638 0.000 0.620 256 A CB -0.577 17.553 19.000 -1.450 0.000 0.822 256 A HN 0.414 nan 8.150 nan 0.000 0.443 257 R N -1.326 118.799 120.500 -0.625 0.000 2.170 257 R HA -0.135 4.204 4.340 -0.001 0.000 0.242 257 R C 1.942 178.069 176.300 -0.288 0.000 1.145 257 R CA 1.440 57.290 56.100 -0.417 0.000 0.984 257 R CB -0.403 29.703 30.300 -0.324 0.000 0.869 257 R HN 0.511 nan 8.270 nan 0.000 0.455 258 L N -0.347 120.708 121.223 -0.281 0.000 2.202 258 L HA -0.008 4.331 4.340 -0.001 0.000 0.205 258 L C 1.330 178.123 176.870 -0.128 0.000 1.083 258 L CA 1.065 55.799 54.840 -0.177 0.000 0.790 258 L CB 0.744 42.715 42.059 -0.146 0.000 0.942 258 L HN 0.042 nan 8.230 nan 0.000 0.452 259 V N -3.735 116.093 119.914 -0.144 0.000 3.265 259 V HA 0.630 4.749 4.120 -0.001 0.000 0.346 259 V C 0.464 176.632 176.094 0.125 0.000 1.447 259 V CA -0.237 62.087 62.300 0.040 0.000 1.179 259 V CB -0.659 31.323 31.823 0.266 0.000 1.103 259 V HN 0.179 nan 8.190 nan 0.000 0.530 260 A N 0.258 123.009 122.820 -0.115 0.000 2.440 260 A HA 0.477 4.797 4.320 -0.001 0.000 0.251 260 A C 0.792 178.434 177.584 0.098 0.000 1.089 260 A CA 0.391 52.434 52.037 0.008 0.000 0.779 260 A CB 0.174 18.993 19.000 -0.301 0.000 1.022 260 A HN 0.491 nan 8.150 nan 0.000 0.492 261 D N -0.011 120.508 120.400 0.199 0.000 2.355 261 D HA 0.112 4.751 4.640 -0.001 0.000 0.206 261 D C 0.037 176.389 176.300 0.087 0.000 1.010 261 D CA 0.902 54.967 54.000 0.108 0.000 0.875 261 D CB 0.470 41.329 40.800 0.098 0.000 0.966 261 D HN 0.439 nan 8.370 nan 0.000 0.512 262 K N -0.071 120.395 120.400 0.110 0.000 2.572 262 K HA 0.252 4.571 4.320 -0.001 0.000 0.263 262 K C -2.423 174.203 176.600 0.043 0.000 0.932 262 K CA -0.663 55.634 56.287 0.018 0.000 0.838 262 K CB 1.578 34.008 32.500 -0.117 0.000 1.366 262 K HN -0.097 nan 8.250 nan 0.000 0.425 263 W N 6.169 127.356 121.300 -0.189 0.000 2.739 263 W HA 0.675 5.334 4.660 -0.001 0.000 0.331 263 W C -1.890 174.595 176.519 -0.055 0.000 1.049 263 W CA -0.978 56.285 57.345 -0.138 0.000 1.234 263 W CB 0.964 30.377 29.460 -0.078 0.000 1.404 263 W HN 0.328 nan 8.180 nan 0.000 0.477 264 F N 4.030 123.699 119.950 -0.468 0.000 2.495 264 F HA 0.427 4.953 4.527 -0.001 0.000 0.327 264 F C 0.385 175.679 175.800 -0.843 0.000 1.103 264 F CA -1.673 55.963 58.000 -0.607 0.000 0.949 264 F CB 2.064 40.881 39.000 -0.306 0.000 1.142 264 F HN 0.258 nan 8.300 nan 0.000 0.457 265 S N 5.621 120.942 115.700 -0.632 0.000 2.328 265 S HA 0.405 4.874 4.470 -0.001 0.000 0.204 265 S C -2.681 171.818 174.600 -0.168 0.000 1.475 265 S CA -1.580 56.373 58.200 -0.412 0.000 1.148 265 S CB -0.150 62.720 63.200 -0.551 0.000 1.077 265 S HN 0.274 nan 8.310 nan 0.000 0.479 266 P HA 0.182 nan 4.420 nan 0.000 0.271 266 P C -0.592 176.705 177.300 -0.005 0.000 1.218 266 P CA -0.402 62.680 63.100 -0.030 0.000 0.780 266 P CB 0.692 32.427 31.700 0.060 0.000 0.901 267 K N 2.179 122.560 120.400 -0.031 0.000 2.319 267 K HA 0.158 4.477 4.320 -0.001 0.000 0.265 267 K C 0.871 177.453 176.600 -0.031 0.000 1.000 267 K CA -0.434 55.833 56.287 -0.033 0.000 0.943 267 K CB 0.016 32.481 32.500 -0.057 0.000 0.950 267 K HN 0.503 nan 8.250 nan 0.000 0.485 268 I N -1.223 119.319 120.570 -0.046 0.000 2.880 268 I HA 0.026 4.195 4.170 -0.001 0.000 0.296 268 I C 0.984 176.958 176.117 -0.238 0.000 1.220 268 I CA 0.487 61.724 61.300 -0.105 0.000 1.435 268 I CB -0.111 37.838 38.000 -0.085 0.000 1.339 268 I HN 0.857 nan 8.210 nan 0.000 0.583 269 G N 3.421 111.850 108.800 -0.619 0.000 2.168 269 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.257 269 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.257 269 G C 0.551 175.271 174.900 -0.299 0.000 0.997 269 G CA 0.662 45.127 45.100 -1.059 0.000 0.708 269 G HN 1.355 nan 8.290 nan 0.000 0.520 270 T N -3.862 110.683 114.554 -0.015 0.000 3.043 270 T HA 0.265 4.614 4.350 -0.001 0.000 0.272 270 T C 1.300 176.294 174.700 0.490 0.000 0.990 270 T CA 0.857 63.130 62.100 0.288 0.000 0.897 270 T CB 0.333 69.259 68.868 0.097 0.000 1.111 270 T HN 0.152 nan 8.240 nan 0.000 0.529 271 D N 2.609 123.403 120.400 0.656 0.000 2.133 271 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 271 D C 1.932 178.745 176.300 0.856 0.000 0.997 271 D CA 1.862 56.354 54.000 0.821 0.000 0.840 271 D CB -0.211 41.136 40.800 0.911 0.000 0.947 271 D HN 0.718 nan 8.370 nan 0.000 0.452 272 H N 0.472 119.914 119.070 0.620 0.000 2.543 272 H HA 0.137 4.692 4.556 -0.001 0.000 0.286 272 H C 1.774 177.505 175.328 0.673 0.000 1.037 272 H CA 0.971 57.341 56.048 0.536 0.000 1.250 272 H CB -0.637 29.466 29.762 0.568 0.000 1.373 272 H HN 0.083 nan 8.280 nan 0.000 0.580 273 A N 1.878 124.935 122.820 0.395 0.000 1.929 273 A HA 0.058 4.377 4.320 -0.001 0.000 0.216 273 A C 2.713 180.456 177.584 0.265 0.000 1.176 273 A CA 0.777 52.890 52.037 0.126 0.000 0.628 273 A CB -0.611 18.141 19.000 -0.414 0.000 0.816 273 A HN 0.339 nan 8.150 nan 0.000 0.444 274 L N 0.469 121.879 121.223 0.312 0.000 2.027 274 L HA -0.168 4.172 4.340 -0.001 0.000 0.206 274 L C 3.022 180.117 176.870 0.376 0.000 1.074 274 L CA 1.755 56.786 54.840 0.319 0.000 0.745 274 L CB -0.793 41.513 42.059 0.412 0.000 0.898 274 L HN 0.600 nan 8.230 nan 0.000 0.433 275 S N -0.475 115.487 115.700 0.436 0.000 2.399 275 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 275 S C 1.890 176.535 174.600 0.074 0.000 1.022 275 S CA 0.998 59.300 58.200 0.170 0.000 0.983 275 S CB -0.801 62.352 63.200 -0.079 0.000 0.803 275 S HN 0.312 nan 8.310 nan 0.000 0.480 276 F N 1.977 122.067 119.950 0.235 0.000 2.206 276 F HA 0.173 4.699 4.527 -0.001 0.000 0.298 276 F C 2.837 178.657 175.800 0.034 0.000 1.090 276 F CA 0.617 58.699 58.000 0.136 0.000 1.323 276 F CB -0.332 38.736 39.000 0.113 0.000 1.028 276 F HN 0.316 nan 8.300 nan 0.000 0.492 277 A N 0.029 123.011 122.820 0.269 0.000 2.014 277 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 277 A C 2.087 179.698 177.584 0.045 0.000 1.163 277 A CA 1.091 53.215 52.037 0.144 0.000 0.652 277 A CB -0.837 18.240 19.000 0.128 0.000 0.808 277 A HN 0.411 nan 8.150 nan 0.000 0.449 278 I N -0.536 119.982 120.570 -0.086 0.000 2.353 278 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 278 I C 2.901 178.551 176.117 -0.778 0.000 1.119 278 I CA 0.939 61.970 61.300 -0.448 0.000 1.417 278 I CB -0.242 37.420 38.000 -0.563 0.000 1.078 278 I HN 0.350 nan 8.210 nan 0.000 0.421 279 A N 0.182 122.753 122.820 -0.415 0.000 1.929 279 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 279 A C 2.270 179.848 177.584 -0.010 0.000 1.176 279 A CA 1.224 53.171 52.037 -0.150 0.000 0.628 279 A CB -0.963 18.164 19.000 0.212 0.000 0.816 279 A HN 0.510 nan 8.150 nan 0.000 0.444 280 Y N 1.404 121.633 120.300 -0.119 0.000 2.128 280 Y HA -0.240 4.309 4.550 -0.001 0.000 0.284 280 Y C 2.580 178.458 175.900 -0.037 0.000 1.154 280 Y CA 2.507 60.542 58.100 -0.108 0.000 1.149 280 Y CB -0.746 37.634 38.460 -0.134 0.000 0.976 280 Y HN 0.299 nan 8.280 nan 0.000 0.505 281 T N 0.044 114.615 114.554 0.028 0.000 2.708 281 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 281 T C 1.444 176.223 174.700 0.132 0.000 1.037 281 T CA 1.666 63.782 62.100 0.026 0.000 1.146 281 T CB -0.549 68.359 68.868 0.066 0.000 0.865 281 T HN 0.486 nan 8.240 nan 0.000 0.435 282 W N 1.440 122.747 121.300 0.013 0.000 2.338 282 W HA 0.067 4.726 4.660 -0.001 0.000 0.304 282 W C 2.095 178.673 176.519 0.099 0.000 1.212 282 W CA 0.178 57.562 57.345 0.066 0.000 1.264 282 W CB -1.438 28.043 29.460 0.034 0.000 1.142 282 W HN 0.292 nan 8.180 nan 0.000 0.512 283 L N 0.090 121.426 121.223 0.189 0.000 2.056 283 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 283 L C 2.537 179.422 176.870 0.025 0.000 1.078 283 L CA 1.163 56.069 54.840 0.111 0.000 0.749 283 L CB -0.856 41.167 42.059 -0.059 0.000 0.901 283 L HN -0.218 nan 8.230 nan 0.000 0.433 284 K N 0.343 120.647 120.400 -0.160 0.000 2.211 284 K HA -0.098 4.222 4.320 -0.001 0.000 0.203 284 K C 1.451 178.037 176.600 -0.023 0.000 1.050 284 K CA 1.140 57.322 56.287 -0.176 0.000 0.945 284 K CB 0.042 32.329 32.500 -0.355 0.000 0.732 284 K HN 0.448 nan 8.250 nan 0.000 0.451 285 E N 0.013 120.250 120.200 0.060 0.000 2.498 285 E HA 0.011 4.360 4.350 -0.001 0.000 0.203 285 E C -0.853 175.813 176.600 0.110 0.000 1.013 285 E CA -0.088 56.367 56.400 0.092 0.000 0.927 285 E CB 0.373 30.148 29.700 0.125 0.000 1.012 285 E HN 0.197 nan 8.360 nan 0.000 0.482 286 D N 0.502 120.998 120.400 0.160 0.000 2.837 286 D HA -0.158 4.481 4.640 -0.001 0.000 0.230 286 D C -0.275 176.064 176.300 0.066 0.000 1.152 286 D CA 1.049 55.120 54.000 0.118 0.000 0.736 286 D CB -1.275 39.536 40.800 0.018 0.000 1.084 286 D HN 0.206 nan 8.370 nan 0.000 0.429 287 S N -0.187 115.621 115.700 0.181 0.000 2.979 287 S HA 0.464 4.933 4.470 -0.001 0.000 0.210 287 S C -0.197 174.352 174.600 -0.085 0.000 1.364 287 S CA -0.828 57.399 58.200 0.046 0.000 1.208 287 S CB -0.340 62.919 63.200 0.098 0.000 1.167 287 S HN 0.484 nan 8.310 nan 0.000 0.519 288 Y N -2.394 117.769 120.300 -0.228 0.000 2.670 288 Y HA 0.621 5.170 4.550 -0.001 0.000 0.334 288 Y C -0.896 174.883 175.900 -0.202 0.000 1.185 288 Y CA -1.518 56.385 58.100 -0.330 0.000 1.053 288 Y CB 0.315 38.634 38.460 -0.236 0.000 1.298 288 Y HN 0.079 nan 8.280 nan 0.000 0.459 289 D N 1.962 122.281 120.400 -0.135 0.000 2.600 289 D HA 0.115 4.754 4.640 -0.001 0.000 0.226 289 D C 0.526 176.728 176.300 -0.162 0.000 1.119 289 D CA 0.276 54.180 54.000 -0.160 0.000 1.051 289 D CB 0.270 40.999 40.800 -0.117 0.000 1.106 289 D HN 0.705 nan 8.370 nan 0.000 0.491 290 K N 0.877 121.004 120.400 -0.455 0.000 2.089 290 K HA -0.236 4.083 4.320 -0.001 0.000 0.210 290 K C 1.452 177.961 176.600 -0.151 0.000 1.048 290 K CA 1.365 57.419 56.287 -0.388 0.000 0.926 290 K CB 0.251 32.484 32.500 -0.444 0.000 0.714 290 K HN 0.222 nan 8.250 nan 0.000 0.448 291 E N 0.097 120.229 120.200 -0.113 0.000 2.077 291 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 291 E C 1.775 178.356 176.600 -0.030 0.000 0.989 291 E CA 1.223 57.584 56.400 -0.064 0.000 0.800 291 E CB -0.468 29.200 29.700 -0.053 0.000 0.746 291 E HN 0.368 nan 8.360 nan 0.000 0.452 292 Y N 0.840 121.066 120.300 -0.124 0.000 2.097 292 Y HA -0.251 4.298 4.550 -0.001 0.000 0.282 292 Y C 2.141 177.979 175.900 -0.104 0.000 1.152 292 Y CA 1.450 59.483 58.100 -0.112 0.000 1.136 292 Y CB -0.272 38.136 38.460 -0.087 0.000 0.975 292 Y HN -0.113 nan 8.280 nan 0.000 0.498 293 V N 0.380 120.336 119.914 0.069 0.000 2.407 293 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 293 V C 2.630 178.638 176.094 -0.143 0.000 1.055 293 V CA 1.705 63.951 62.300 -0.091 0.000 1.049 293 V CB -1.536 30.108 31.823 -0.298 0.000 0.662 293 V HN 0.585 nan 8.190 nan 0.000 0.455 294 A N -0.181 122.573 122.820 -0.109 0.000 1.972 294 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 294 A C 2.307 179.846 177.584 -0.075 0.000 1.169 294 A CA 2.106 54.102 52.037 -0.068 0.000 0.635 294 A CB -0.510 18.459 19.000 -0.053 0.000 0.810 294 A HN 0.583 nan 8.150 nan 0.000 0.446 295 A N -1.056 121.680 122.820 -0.140 0.000 2.044 295 A HA 0.062 4.382 4.320 -0.001 0.000 0.213 295 A C 1.590 179.042 177.584 -0.220 0.000 1.169 295 A CA 1.039 52.971 52.037 -0.175 0.000 0.724 295 A CB -0.060 18.804 19.000 -0.227 0.000 0.840 295 A HN 0.499 nan 8.150 nan 0.000 0.463 296 N N -0.663 117.867 118.700 -0.283 0.000 2.181 296 N HA 0.278 5.017 4.740 -0.001 0.000 0.207 296 N C 0.273 175.848 175.510 0.108 0.000 1.182 296 N CA 0.674 53.596 53.050 -0.215 0.000 0.893 296 N CB 0.651 38.755 38.487 -0.638 0.000 1.032 296 N HN 0.386 nan 8.380 nan 0.000 0.513 297 A N 0.361 123.247 122.820 0.109 0.000 2.294 297 A HA 0.564 4.884 4.320 -0.001 0.000 0.330 297 A C -0.923 176.842 177.584 0.301 0.000 1.133 297 A CA -0.202 51.998 52.037 0.272 0.000 0.836 297 A CB 0.804 19.875 19.000 0.119 0.000 1.190 297 A HN 0.335 nan 8.150 nan 0.000 0.492 298 H N -1.069 118.179 119.070 0.296 0.000 2.759 298 H HA 0.495 5.050 4.556 -0.001 0.000 0.354 298 H C 0.575 176.070 175.328 0.278 0.000 1.074 298 H CA 0.411 56.601 56.048 0.236 0.000 1.226 298 H CB 1.369 31.255 29.762 0.207 0.000 1.648 298 H HN 1.620 nan 8.280 nan 0.000 0.529 299 G N 3.597 112.183 108.800 -0.356 0.000 2.153 299 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.252 299 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.252 299 G C 0.695 175.615 174.900 0.033 0.000 0.994 299 G CA 0.649 45.629 45.100 -0.200 0.000 0.698 299 G HN 0.615 nan 8.290 nan 0.000 0.521 300 F N 0.977 120.849 119.950 -0.131 0.000 2.186 300 F HA 0.101 4.627 4.527 -0.001 0.000 0.299 300 F C 2.357 178.156 175.800 -0.002 0.000 1.090 300 F CA 2.184 60.047 58.000 -0.229 0.000 1.307 300 F CB 0.070 38.870 39.000 -0.333 0.000 1.019 300 F HN 0.271 nan 8.300 nan 0.000 0.489 301 E N 0.656 120.917 120.200 0.102 0.000 2.058 301 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 301 E C 1.942 178.523 176.600 -0.032 0.000 0.997 301 E CA 2.042 58.471 56.400 0.049 0.000 0.801 301 E CB -0.458 29.287 29.700 0.076 0.000 0.746 301 E HN 0.477 nan 8.360 nan 0.000 0.450 302 E N -0.490 119.711 120.200 0.001 0.000 2.072 302 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 302 E C 1.683 178.305 176.600 0.037 0.000 0.985 302 E CA 0.968 57.378 56.400 0.017 0.000 0.801 302 E CB -0.405 29.319 29.700 0.039 0.000 0.750 302 E HN 0.363 nan 8.360 nan 0.000 0.452 303 W N 1.589 122.802 121.300 -0.144 0.000 2.358 303 W HA -0.152 4.508 4.660 -0.001 0.000 0.303 303 W C 2.338 178.754 176.519 -0.171 0.000 1.208 303 W CA 2.108 59.397 57.345 -0.092 0.000 1.274 303 W CB -0.457 28.954 29.460 -0.083 0.000 1.138 303 W HN 0.074 nan 8.180 nan 0.000 0.515 304 A N 0.216 122.817 122.820 -0.365 0.000 1.892 304 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 304 A C 1.797 179.188 177.584 -0.323 0.000 1.188 304 A CA 2.249 53.995 52.037 -0.484 0.000 0.631 304 A CB -1.147 17.599 19.000 -0.424 0.000 0.822 304 A HN 0.318 nan 8.150 nan 0.000 0.447 305 D N -1.962 118.322 120.400 -0.193 0.000 2.178 305 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 305 D C 1.625 177.822 176.300 -0.171 0.000 0.980 305 D CA 1.563 55.479 54.000 -0.140 0.000 0.842 305 D CB -0.302 40.455 40.800 -0.071 0.000 0.948 305 D HN 0.665 nan 8.370 nan 0.000 0.472 306 Y N 1.389 121.492 120.300 -0.330 0.000 2.220 306 Y HA -0.150 4.399 4.550 -0.001 0.000 0.291 306 Y C 2.133 177.725 175.900 -0.513 0.000 1.129 306 Y CA 0.909 58.777 58.100 -0.387 0.000 1.161 306 Y CB -0.320 37.907 38.460 -0.388 0.000 0.997 306 Y HN -0.229 nan 8.280 nan 0.000 0.522 307 V N 0.778 120.268 119.914 -0.705 0.000 2.490 307 V HA -0.292 3.827 4.120 -0.001 0.000 0.250 307 V C 2.243 178.073 176.094 -0.441 0.000 1.061 307 V CA 1.852 63.718 62.300 -0.724 0.000 1.064 307 V CB -0.700 30.726 31.823 -0.662 0.000 0.670 307 V HN 0.436 nan 8.190 nan 0.000 0.461 308 L N 0.194 121.227 121.223 -0.317 0.000 2.554 308 L HA 0.248 4.587 4.340 -0.001 0.000 0.226 308 L C 1.796 178.539 176.870 -0.211 0.000 1.137 308 L CA 0.870 55.629 54.840 -0.134 0.000 0.863 308 L CB -0.448 41.535 42.059 -0.127 0.000 0.985 308 L HN 0.551 nan 8.230 nan 0.000 0.451 309 G N 0.138 108.704 108.800 -0.390 0.000 2.143 309 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.249 309 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.249 309 G C 0.980 175.736 174.900 -0.240 0.000 0.981 309 G CA 0.583 45.447 45.100 -0.393 0.000 0.665 309 G HN 0.358 nan 8.290 nan 0.000 0.528 310 K N -0.238 120.053 120.400 -0.180 0.000 2.025 310 K HA -0.045 4.274 4.320 -0.001 0.000 0.207 310 K C 2.784 179.331 176.600 -0.088 0.000 1.049 310 K CA 1.907 58.127 56.287 -0.112 0.000 0.933 310 K CB -0.299 32.150 32.500 -0.085 0.000 0.714 310 K HN 0.576 nan 8.250 nan 0.000 0.438 311 T N -0.376 114.133 114.554 -0.074 0.000 3.067 311 T HA -0.054 4.295 4.350 -0.001 0.000 0.261 311 T C 1.191 175.874 174.700 -0.028 0.000 1.110 311 T CA 1.120 63.203 62.100 -0.029 0.000 1.113 311 T CB -0.032 68.846 68.868 0.017 0.000 0.917 311 T HN 0.226 nan 8.240 nan 0.000 0.499 312 D N 0.000 120.356 120.400 -0.073 0.000 2.500 312 D HA 0.229 4.868 4.640 -0.001 0.000 0.217 312 D C 1.512 177.735 176.300 -0.128 0.000 1.159 312 D CA 0.320 54.274 54.000 -0.076 0.000 0.828 312 D CB -0.502 40.267 40.800 -0.051 0.000 1.039 312 D HN 0.489 nan 8.370 nan 0.000 0.512 313 G N 0.015 108.723 108.800 -0.154 0.000 2.153 313 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.252 313 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.252 313 G C 0.059 174.835 174.900 -0.208 0.000 0.994 313 G CA 0.559 45.569 45.100 -0.150 0.000 0.698 313 G HN 0.454 nan 8.290 nan 0.000 0.521 314 T N 1.568 115.927 114.554 -0.326 0.000 3.077 314 T HA 0.489 4.838 4.350 -0.001 0.000 0.359 314 T C -2.755 171.555 174.700 -0.649 0.000 1.108 314 T CA -0.882 60.948 62.100 -0.449 0.000 1.170 314 T CB 2.700 71.270 68.868 -0.496 0.000 1.045 314 T HN 0.047 nan 8.240 nan 0.000 0.505 315 P HA 0.124 nan 4.420 nan 0.000 0.268 315 P C -0.072 176.680 177.300 -0.914 0.000 1.204 315 P CA -0.493 62.265 63.100 -0.570 0.000 0.768 315 P CB 0.509 32.001 31.700 -0.348 0.000 0.842 316 K N 2.464 122.242 120.400 -1.038 0.000 2.480 316 K HA 0.122 4.441 4.320 -0.001 0.000 0.241 316 K C 0.601 176.662 176.600 -0.898 0.000 1.261 316 K CA 0.137 55.759 56.287 -1.109 0.000 1.193 316 K CB -1.176 30.778 32.500 -0.911 0.000 1.598 316 K HN 0.490 nan 8.250 nan 0.000 0.278 317 T N -3.197 110.860 114.554 -0.829 0.000 2.788 317 T HA 0.052 4.401 4.350 -0.001 0.000 0.287 317 T C 1.626 176.249 174.700 -0.129 0.000 1.007 317 T CA -0.633 61.078 62.100 -0.649 0.000 1.005 317 T CB 0.909 69.524 68.868 -0.421 0.000 1.012 317 T HN 0.403 nan 8.240 nan 0.000 0.530 318 C N 0.850 120.112 119.300 -0.063 0.000 2.435 318 C HA 0.024 4.483 4.460 -0.001 0.000 0.279 318 C C 2.754 177.715 174.990 -0.048 0.000 1.321 318 C CA 0.491 59.497 59.018 -0.019 0.000 1.752 318 C CB -1.445 26.293 27.740 -0.002 0.000 1.959 318 C HN 0.971 nan 8.230 nan 0.000 0.500 319 E N -0.273 119.902 120.200 -0.041 0.000 2.072 319 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 319 E C 1.644 178.208 176.600 -0.060 0.000 0.985 319 E CA 1.023 57.392 56.400 -0.053 0.000 0.801 319 E CB -0.394 29.284 29.700 -0.036 0.000 0.750 319 E HN 0.847 nan 8.360 nan 0.000 0.452 320 W N 1.408 122.583 121.300 -0.208 0.000 2.363 320 W HA -0.149 4.511 4.660 -0.001 0.000 0.296 320 W C 2.135 178.519 176.519 -0.224 0.000 1.212 320 W CA 2.134 59.342 57.345 -0.228 0.000 1.260 320 W CB -0.318 28.958 29.460 -0.306 0.000 1.131 320 W HN 0.042 nan 8.180 nan 0.000 0.530 321 A N 0.018 122.628 122.820 -0.351 0.000 1.968 321 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 321 A C 2.002 179.327 177.584 -0.432 0.000 1.169 321 A CA 1.709 53.401 52.037 -0.575 0.000 0.638 321 A CB -0.936 17.958 19.000 -0.177 0.000 0.812 321 A HN 0.552 nan 8.150 nan 0.000 0.446 322 E N -0.111 119.914 120.200 -0.292 0.000 2.047 322 E HA -0.237 4.112 4.350 -0.001 0.000 0.191 322 E C 1.938 178.384 176.600 -0.257 0.000 0.987 322 E CA 1.272 57.527 56.400 -0.241 0.000 0.799 322 E CB -0.193 29.402 29.700 -0.175 0.000 0.752 322 E HN 0.716 nan 8.360 nan 0.000 0.449 323 E N -0.270 119.762 120.200 -0.279 0.000 2.265 323 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 323 E C 1.774 178.194 176.600 -0.300 0.000 0.996 323 E CA 0.882 57.130 56.400 -0.253 0.000 0.832 323 E CB 0.225 29.791 29.700 -0.223 0.000 0.756 323 E HN 0.251 nan 8.360 nan 0.000 0.491 324 E N -0.389 119.548 120.200 -0.437 0.000 2.060 324 E HA -0.067 4.282 4.350 -0.001 0.000 0.189 324 E C 2.111 178.568 176.600 -0.239 0.000 0.974 324 E CA 1.287 57.455 56.400 -0.387 0.000 0.808 324 E CB 0.144 29.465 29.700 -0.631 0.000 0.768 324 E HN 0.247 nan 8.360 nan 0.000 0.453 325 S N -1.533 114.024 115.700 -0.239 0.000 2.502 325 S HA 0.263 4.733 4.470 -0.001 0.000 0.215 325 S C 1.628 176.137 174.600 -0.150 0.000 1.009 325 S CA 0.763 58.872 58.200 -0.153 0.000 0.908 325 S CB 0.943 64.068 63.200 -0.125 0.000 0.801 325 S HN 0.290 nan 8.310 nan 0.000 0.505 326 G N 0.788 109.484 108.800 -0.173 0.000 2.217 326 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.246 326 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.246 326 G C 0.073 174.864 174.900 -0.182 0.000 0.990 326 G CA 0.016 45.022 45.100 -0.156 0.000 0.627 326 G HN 0.769 nan 8.290 nan 0.000 0.522 327 V N 2.775 122.554 119.914 -0.226 0.000 2.508 327 V HA 0.379 4.498 4.120 -0.001 0.000 0.281 327 V C -1.434 174.487 176.094 -0.289 0.000 1.041 327 V CA -1.216 60.898 62.300 -0.310 0.000 1.016 327 V CB 1.079 32.638 31.823 -0.441 0.000 0.984 327 V HN 0.137 nan 8.190 nan 0.000 0.478 328 P HA -0.003 nan 4.420 nan 0.000 0.261 328 P C 0.650 177.838 177.300 -0.187 0.000 1.173 328 P CA 0.490 63.482 63.100 -0.179 0.000 0.760 328 P CB 0.651 32.275 31.700 -0.125 0.000 0.783 329 A N 4.014 126.758 122.820 -0.127 0.000 1.865 329 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 329 A C 2.232 179.781 177.584 -0.059 0.000 1.191 329 A CA 2.163 54.143 52.037 -0.095 0.000 0.623 329 A CB -1.869 17.093 19.000 -0.063 0.000 0.826 329 A HN 0.756 nan 8.150 nan 0.000 0.444 330 C N -0.600 118.680 119.300 -0.033 0.000 2.413 330 C HA -0.108 4.351 4.460 -0.001 0.000 0.277 330 C C 2.245 177.251 174.990 0.026 0.000 1.265 330 C CA 1.144 60.167 59.018 0.008 0.000 1.752 330 C CB -1.673 26.078 27.740 0.018 0.000 1.998 330 C HN 0.661 nan 8.230 nan 0.000 0.489 331 E N 1.090 121.282 120.200 -0.012 0.000 2.152 331 E HA -0.009 4.340 4.350 -0.001 0.000 0.192 331 E C 2.121 178.734 176.600 0.022 0.000 0.983 331 E CA 1.109 57.540 56.400 0.053 0.000 0.818 331 E CB -0.157 29.565 29.700 0.037 0.000 0.758 331 E HN 0.737 nan 8.360 nan 0.000 0.467 332 I N 0.775 121.266 120.570 -0.133 0.000 2.286 332 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 332 I C 2.711 178.862 176.117 0.056 0.000 1.104 332 I CA 0.873 62.121 61.300 -0.087 0.000 1.397 332 I CB -0.210 37.713 38.000 -0.129 0.000 1.072 332 I HN 0.005 nan 8.210 nan 0.000 0.417 333 R N 1.302 121.836 120.500 0.056 0.000 2.092 333 R HA -0.124 4.215 4.340 -0.001 0.000 0.231 333 R C 2.406 178.797 176.300 0.151 0.000 1.119 333 R CA 1.415 57.574 56.100 0.098 0.000 0.970 333 R CB -0.176 30.176 30.300 0.085 0.000 0.864 333 R HN 0.329 nan 8.270 nan 0.000 0.440 334 A N 1.089 124.003 122.820 0.156 0.000 1.902 334 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 334 A C 2.014 179.748 177.584 0.250 0.000 1.181 334 A CA 1.258 53.407 52.037 0.187 0.000 0.623 334 A CB -0.602 18.502 19.000 0.174 0.000 0.818 334 A HN 0.386 nan 8.150 nan 0.000 0.443 335 L N -0.249 121.154 121.223 0.300 0.000 2.046 335 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 335 L C 2.629 179.787 176.870 0.480 0.000 1.077 335 L CA 2.162 57.236 54.840 0.389 0.000 0.747 335 L CB -0.783 41.561 42.059 0.474 0.000 0.896 335 L HN 0.338 nan 8.230 nan 0.000 0.432 336 A N -0.285 122.757 122.820 0.370 0.000 1.877 336 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 336 A C 2.425 180.363 177.584 0.590 0.000 1.186 336 A CA 1.872 54.132 52.037 0.372 0.000 0.620 336 A CB -0.539 18.492 19.000 0.053 0.000 0.822 336 A HN 0.515 nan 8.150 nan 0.000 0.443 337 R N -1.312 119.427 120.500 0.399 0.000 2.115 337 R HA -0.115 4.224 4.340 -0.001 0.000 0.230 337 R C 2.439 178.934 176.300 0.325 0.000 1.111 337 R CA 1.456 57.761 56.100 0.342 0.000 0.976 337 R CB -0.200 30.240 30.300 0.234 0.000 0.870 337 R HN 0.621 nan 8.270 nan 0.000 0.445 338 Q N 0.027 120.029 119.800 0.337 0.000 2.083 338 Q HA -0.157 4.182 4.340 -0.001 0.000 0.198 338 Q C 1.617 177.834 176.000 0.362 0.000 0.969 338 Q CA 1.262 57.237 55.803 0.287 0.000 0.838 338 Q CB -0.212 28.674 28.738 0.247 0.000 0.900 338 Q HN 0.372 nan 8.270 nan 0.000 0.436 339 W N 0.586 122.047 121.300 0.269 0.000 2.355 339 W HA -0.116 4.543 4.660 -0.001 0.000 0.309 339 W C 1.969 178.591 176.519 0.173 0.000 1.206 339 W CA 2.150 59.670 57.345 0.292 0.000 1.284 339 W CB -0.958 28.810 29.460 0.514 0.000 1.145 339 W HN 0.280 nan 8.180 nan 0.000 0.502 340 A N 1.242 124.334 122.820 0.453 0.000 1.883 340 A HA -0.254 4.065 4.320 -0.001 0.000 0.217 340 A C 2.009 179.625 177.584 0.052 0.000 1.186 340 A CA 2.690 54.738 52.037 0.018 0.000 0.624 340 A CB -0.938 18.024 19.000 -0.063 0.000 0.822 340 A HN 0.478 nan 8.150 nan 0.000 0.444 341 K N -1.555 118.920 120.400 0.125 0.000 2.426 341 K HA 0.113 4.432 4.320 -0.001 0.000 0.193 341 K C -0.035 176.615 176.600 0.083 0.000 1.028 341 K CA 0.199 56.535 56.287 0.083 0.000 1.047 341 K CB 0.232 32.786 32.500 0.090 0.000 0.821 341 K HN 0.079 nan 8.250 nan 0.000 0.513 342 K N 1.370 121.839 120.400 0.115 0.000 2.221 342 K HA 0.245 4.565 4.320 -0.001 0.000 0.243 342 K C -0.837 175.799 176.600 0.061 0.000 0.968 342 K CA -0.931 55.411 56.287 0.090 0.000 0.846 342 K CB 1.214 33.776 32.500 0.104 0.000 1.141 342 K HN -0.059 nan 8.250 nan 0.000 0.434 343 N N 1.816 120.540 118.700 0.041 0.000 2.466 343 N HA 0.091 4.831 4.740 -0.001 0.000 0.263 343 N C -0.885 174.608 175.510 -0.029 0.000 1.178 343 N CA 0.275 53.316 53.050 -0.016 0.000 0.983 343 N CB 0.156 38.664 38.487 0.036 0.000 1.331 343 N HN 0.300 nan 8.380 nan 0.000 0.500 344 T N 2.151 116.643 114.554 -0.103 0.000 2.794 344 T HA 0.357 4.706 4.350 -0.001 0.000 0.280 344 T C -0.173 174.364 174.700 -0.270 0.000 0.987 344 T CA -0.329 61.664 62.100 -0.178 0.000 0.993 344 T CB 0.635 69.253 68.868 -0.416 0.000 0.939 344 T HN 0.188 nan 8.240 nan 0.000 0.449 345 Y N 1.706 121.948 120.300 -0.096 0.000 2.360 345 Y HA 0.535 5.084 4.550 -0.001 0.000 0.337 345 Y C -0.052 175.751 175.900 -0.162 0.000 1.039 345 Y CA -1.348 56.742 58.100 -0.018 0.000 1.109 345 Y CB 1.213 39.756 38.460 0.139 0.000 1.201 345 Y HN 0.416 nan 8.280 nan 0.000 0.458 346 L N 3.803 125.088 121.223 0.104 0.000 2.259 346 L HA 0.628 4.967 4.340 -0.001 0.000 0.288 346 L C -0.068 176.820 176.870 0.030 0.000 1.051 346 L CA -0.624 54.257 54.840 0.069 0.000 0.824 346 L CB 0.133 42.377 42.059 0.308 0.000 1.206 346 L HN 0.684 nan 8.230 nan 0.000 0.429 347 A N 5.467 128.197 122.820 -0.151 0.000 2.922 347 A HA 0.691 5.010 4.320 -0.001 0.000 0.298 347 A C 0.482 178.123 177.584 0.095 0.000 1.588 347 A CA -0.015 51.913 52.037 -0.182 0.000 1.288 347 A CB -0.655 17.976 19.000 -0.615 0.000 1.130 347 A HN 0.933 nan 8.150 nan 0.000 0.557 348 A N 2.022 124.948 122.820 0.177 0.000 2.310 348 A HA 0.643 4.962 4.320 -0.001 0.000 0.300 348 A C 1.044 178.868 177.584 0.400 0.000 1.269 348 A CA 0.515 52.779 52.037 0.379 0.000 0.909 348 A CB -0.671 18.467 19.000 0.231 0.000 1.144 348 A HN 2.582 nan 8.150 nan 0.000 0.540 349 G N 1.471 110.592 108.800 0.535 0.000 2.795 349 G HA2 0.193 4.152 3.960 -0.001 0.000 0.664 349 G HA3 0.193 4.152 3.960 -0.001 0.000 0.664 349 G C 0.726 175.742 174.900 0.193 0.000 1.381 349 G CA -0.120 45.213 45.100 0.388 0.000 0.853 349 G HN 1.726 nan 8.290 nan 0.000 0.545 350 G N -1.247 107.640 108.800 0.144 0.000 3.088 350 G HA2 0.429 4.388 3.960 -0.001 0.000 0.217 350 G HA3 0.429 4.388 3.960 -0.001 0.000 0.217 350 G C 1.409 176.289 174.900 -0.033 0.000 1.159 350 G CA 1.443 46.577 45.100 0.057 0.000 0.760 350 G HN 1.293 nan 8.290 nan 0.000 0.550 351 L N -0.580 120.587 121.223 -0.092 0.000 2.609 351 L HA 0.547 4.886 4.340 -0.001 0.000 0.230 351 L C 0.996 177.656 176.870 -0.349 0.000 1.064 351 L CA 1.279 55.941 54.840 -0.296 0.000 0.873 351 L CB 0.611 42.275 42.059 -0.659 0.000 1.139 351 L HN 0.237 nan 8.230 nan 0.000 0.490 352 G N -0.435 108.180 108.800 -0.309 0.000 2.740 352 G HA2 0.439 4.398 3.960 -0.001 0.000 0.267 352 G HA3 0.439 4.398 3.960 -0.001 0.000 0.267 352 G C 0.260 174.844 174.900 -0.526 0.000 0.971 352 G CA -0.299 44.614 45.100 -0.311 0.000 1.288 352 G HN 1.143 nan 8.290 nan 0.000 0.615 353 G N -0.021 108.452 108.800 -0.544 0.000 2.422 353 G HA2 0.454 4.413 3.960 -0.001 0.000 0.607 353 G HA3 0.454 4.413 3.960 -0.001 0.000 0.607 353 G C 0.363 175.048 174.900 -0.358 0.000 1.270 353 G CA 0.513 44.974 45.100 -1.064 0.000 0.992 353 G HN 2.026 nan 8.290 nan 0.000 0.499 354 W N -1.906 119.145 121.300 -0.416 0.000 3.594 354 W HA 0.320 4.979 4.660 -0.001 0.000 0.319 354 W C 1.380 178.163 176.519 0.440 0.000 0.139 354 W CA 2.296 59.675 57.345 0.057 0.000 0.459 354 W CB -1.555 27.792 29.460 -0.189 0.000 1.231 354 W HN 3.084 nan 8.180 nan 0.000 0.432 355 G N -0.862 108.202 108.800 0.441 0.000 3.055 355 G HA2 0.450 4.409 3.960 -0.001 0.000 0.686 355 G HA3 0.450 4.409 3.960 -0.001 0.000 0.686 355 G C 0.480 175.407 174.900 0.045 0.000 1.087 355 G CA 0.581 45.839 45.100 0.264 0.000 0.779 355 G HN 1.827 nan 8.290 nan 0.000 0.599 356 G N 0.791 109.551 108.800 -0.066 0.000 2.485 356 G HA2 0.187 4.146 3.960 -0.001 0.000 0.221 356 G HA3 0.187 4.146 3.960 -0.001 0.000 0.221 356 G C 2.051 176.855 174.900 -0.160 0.000 1.115 356 G CA 2.449 47.498 45.100 -0.084 0.000 0.751 356 G HN 2.095 nan 8.290 nan 0.000 0.567 357 A N 0.399 122.965 122.820 -0.423 0.000 2.019 357 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 357 A C 2.634 179.885 177.584 -0.554 0.000 1.164 357 A CA 1.931 53.519 52.037 -0.749 0.000 0.644 357 A CB -0.992 16.899 19.000 -1.848 0.000 0.805 357 A HN 0.970 nan 8.150 nan 0.000 0.449 358 C N -0.197 118.991 119.300 -0.186 0.000 2.468 358 C HA 0.161 4.620 4.460 -0.001 0.000 0.277 358 C C 1.607 176.631 174.990 0.057 0.000 1.400 358 C CA 0.324 59.391 59.018 0.080 0.000 1.770 358 C CB -1.132 26.821 27.740 0.356 0.000 1.905 358 C HN 0.615 nan 8.230 nan 0.000 0.519 359 R N 1.113 121.633 120.500 0.035 0.000 3.559 359 R HA 0.726 5.066 4.340 -0.001 0.000 0.273 359 R C -0.352 175.962 176.300 0.023 0.000 1.423 359 R CA 0.307 56.446 56.100 0.066 0.000 1.581 359 R CB 0.069 30.420 30.300 0.086 0.000 1.338 359 R HN 0.476 nan 8.270 nan 0.000 0.667 360 A N 0.561 123.375 122.820 -0.009 0.000 2.564 360 A HA 0.408 4.727 4.320 -0.001 0.000 0.288 360 A C 0.585 178.134 177.584 -0.058 0.000 1.164 360 A CA -0.498 51.537 52.037 -0.002 0.000 0.712 360 A CB 1.384 20.465 19.000 0.135 0.000 1.303 360 A HN 0.407 nan 8.150 nan 0.000 0.418 361 S N -0.036 115.525 115.700 -0.233 0.000 2.555 361 S HA -0.107 4.362 4.470 -0.001 0.000 0.230 361 S C 0.914 175.380 174.600 -0.223 0.000 0.978 361 S CA 1.517 59.375 58.200 -0.570 0.000 0.934 361 S CB -0.521 61.751 63.200 -1.547 0.000 0.766 361 S HN 1.045 nan 8.310 nan 0.000 0.533 362 H N -1.075 117.833 119.070 -0.269 0.000 2.674 362 H HA 0.448 5.003 4.556 -0.001 0.000 0.274 362 H C 1.516 176.742 175.328 -0.171 0.000 1.121 362 H CA -0.051 55.834 56.048 -0.272 0.000 1.132 362 H CB -0.884 28.668 29.762 -0.351 0.000 1.606 362 H HN 0.318 nan 8.280 nan 0.000 0.558 363 G N 1.664 110.300 108.800 -0.275 0.000 2.475 363 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 363 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 363 G C 1.621 176.445 174.900 -0.126 0.000 1.125 363 G CA 0.925 45.893 45.100 -0.221 0.000 0.755 363 G HN 0.417 nan 8.290 nan 0.000 0.565 364 I N 0.239 120.777 120.570 -0.052 0.000 2.233 364 I HA -0.063 4.107 4.170 -0.001 0.000 0.243 364 I C 2.567 178.621 176.117 -0.105 0.000 1.093 364 I CA 0.853 62.136 61.300 -0.029 0.000 1.380 364 I CB -0.062 37.999 38.000 0.102 0.000 1.067 364 I HN 0.082 nan 8.210 nan 0.000 0.413 365 E N -0.197 119.974 120.200 -0.047 0.000 2.152 365 E HA -0.234 4.115 4.350 -0.001 0.000 0.192 365 E C 1.642 178.196 176.600 -0.077 0.000 0.983 365 E CA 0.862 57.307 56.400 0.075 0.000 0.818 365 E CB -0.382 29.435 29.700 0.195 0.000 0.758 365 E HN 0.574 nan 8.360 nan 0.000 0.467 366 W N 1.951 123.017 121.300 -0.390 0.000 2.379 366 W HA -0.096 4.563 4.660 -0.001 0.000 0.307 366 W C 2.363 178.478 176.519 -0.672 0.000 1.200 366 W CA 2.261 59.325 57.345 -0.467 0.000 1.297 366 W CB -0.479 28.648 29.460 -0.555 0.000 1.140 366 W HN 0.039 nan 8.180 nan 0.000 0.507 367 A N 0.812 123.047 122.820 -0.975 0.000 1.902 367 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 367 A C 2.080 178.854 177.584 -1.351 0.000 1.181 367 A CA 1.894 52.906 52.037 -1.707 0.000 0.623 367 A CB -0.764 17.263 19.000 -1.622 0.000 0.818 367 A HN 0.401 nan 8.150 nan 0.000 0.443 368 R N -1.044 118.865 120.500 -0.985 0.000 2.115 368 R HA -0.061 4.278 4.340 -0.001 0.000 0.226 368 R C 2.360 177.918 176.300 -1.237 0.000 1.100 368 R CA 0.914 56.391 56.100 -1.038 0.000 0.980 368 R CB -0.499 29.274 30.300 -0.878 0.000 0.875 368 R HN 0.538 nan 8.270 nan 0.000 0.445 369 G N 0.999 109.126 108.800 -1.122 0.000 2.408 369 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 369 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 369 G C 1.438 175.905 174.900 -0.722 0.000 1.150 369 G CA 0.356 44.990 45.100 -0.776 0.000 0.776 369 G HN 0.047 nan 8.290 nan 0.000 0.542 370 M N 0.424 119.452 119.600 -0.953 0.000 2.086 370 M HA 0.076 4.556 4.480 -0.001 0.000 0.261 370 M C 2.643 178.646 176.300 -0.495 0.000 1.067 370 M CA 0.972 55.813 55.300 -0.765 0.000 1.116 370 M CB -0.988 31.032 32.600 -0.967 0.000 1.348 370 M HN 0.228 nan 8.290 nan 0.000 0.407 371 I N 0.056 120.214 120.570 -0.687 0.000 2.286 371 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 371 I C 2.632 178.488 176.117 -0.434 0.000 1.115 371 I CA 1.024 61.928 61.300 -0.660 0.000 1.392 371 I CB -0.640 36.717 38.000 -1.071 0.000 1.065 371 I HN 0.205 nan 8.210 nan 0.000 0.418 372 A N 1.180 123.676 122.820 -0.540 0.000 1.851 372 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 372 A C 2.147 179.757 177.584 0.044 0.000 1.195 372 A CA 1.586 53.431 52.037 -0.319 0.000 0.622 372 A CB -0.898 17.880 19.000 -0.371 0.000 0.831 372 A HN 0.256 nan 8.150 nan 0.000 0.444 373 L N -0.288 120.940 121.223 0.008 0.000 1.990 373 L HA -0.218 4.121 4.340 -0.001 0.000 0.213 373 L C 3.073 180.093 176.870 0.249 0.000 1.072 373 L CA 2.221 57.168 54.840 0.178 0.000 0.755 373 L CB -1.454 40.580 42.059 -0.042 0.000 0.889 373 L HN 0.444 nan 8.230 nan 0.000 0.432 374 A N -1.749 121.180 122.820 0.181 0.000 1.940 374 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 374 A C 2.369 180.031 177.584 0.130 0.000 1.176 374 A CA 2.414 54.569 52.037 0.198 0.000 0.631 374 A CB -1.016 18.090 19.000 0.177 0.000 0.814 374 A HN 0.483 nan 8.150 nan 0.000 0.446 375 T N 0.021 114.678 114.554 0.171 0.000 2.674 375 T HA -0.139 4.210 4.350 -0.001 0.000 0.265 375 T C 1.929 176.753 174.700 0.207 0.000 1.039 375 T CA 1.757 64.028 62.100 0.286 0.000 1.150 375 T CB -0.320 68.778 68.868 0.383 0.000 0.864 375 T HN 0.461 nan 8.240 nan 0.000 0.427 376 M N 0.832 120.560 119.600 0.213 0.000 2.267 376 M HA -0.089 4.390 4.480 -0.001 0.000 0.263 376 M C 2.025 178.288 176.300 -0.060 0.000 1.063 376 M CA 1.236 56.620 55.300 0.141 0.000 1.090 376 M CB -0.214 32.535 32.600 0.249 0.000 1.392 376 M HN 0.101 nan 8.290 nan 0.000 0.422 377 Q N -0.237 119.454 119.800 -0.181 0.000 2.360 377 Q HA 0.169 4.508 4.340 -0.001 0.000 0.202 377 Q C 0.708 176.487 176.000 -0.367 0.000 0.915 377 Q CA 0.570 56.200 55.803 -0.289 0.000 0.943 377 Q CB 0.565 29.195 28.738 -0.181 0.000 1.064 377 Q HN 0.662 nan 8.270 nan 0.000 0.511 378 G N 2.687 111.105 108.800 -0.637 0.000 2.401 378 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.283 378 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.283 378 G C 0.165 174.559 174.900 -0.842 0.000 1.117 378 G CA 0.316 44.532 45.100 -1.473 0.000 1.051 378 G HN 0.354 nan 8.290 nan 0.000 0.510 379 M N -0.520 118.838 119.600 -0.403 0.000 2.251 379 M HA 0.455 4.934 4.480 -0.001 0.000 0.343 379 M C 1.502 177.826 176.300 0.041 0.000 1.245 379 M CA 1.262 56.524 55.300 -0.063 0.000 1.061 379 M CB 0.641 33.315 32.600 0.123 0.000 1.723 379 M HN 1.619 nan 8.290 nan 0.000 0.449 380 G N 2.095 110.905 108.800 0.017 0.000 2.278 380 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.210 380 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.210 380 G C -0.048 174.855 174.900 0.005 0.000 1.000 380 G CA 0.042 45.171 45.100 0.048 0.000 0.635 380 G HN 0.952 nan 8.290 nan 0.000 0.495 381 K N 1.085 121.451 120.400 -0.057 0.000 2.118 381 K HA 0.612 4.932 4.320 -0.001 0.000 0.264 381 K C -2.856 173.665 176.600 -0.132 0.000 1.000 381 K CA -1.844 54.392 56.287 -0.085 0.000 0.929 381 K CB 1.313 33.745 32.500 -0.113 0.000 1.021 381 K HN -0.002 nan 8.250 nan 0.000 0.463 382 P HA -0.081 nan 4.420 nan 0.000 0.258 382 P C 0.424 177.514 177.300 -0.350 0.000 1.172 382 P CA 1.501 64.408 63.100 -0.323 0.000 0.762 382 P CB 0.264 31.657 31.700 -0.511 0.000 0.764 383 G N 1.914 110.609 108.800 -0.174 0.000 2.148 383 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.254 383 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.254 383 G C 0.208 174.812 174.900 -0.493 0.000 0.981 383 G CA 0.205 45.222 45.100 -0.138 0.000 0.670 383 G HN 0.785 nan 8.290 nan 0.000 0.528 384 S N -0.267 115.131 115.700 -0.504 0.000 2.720 384 S HA 0.684 5.153 4.470 -0.001 0.000 0.278 384 S C -0.778 173.626 174.600 -0.328 0.000 1.172 384 S CA -0.062 57.858 58.200 -0.467 0.000 1.019 384 S CB 1.223 64.259 63.200 -0.273 0.000 1.049 384 S HN 0.724 nan 8.310 nan 0.000 0.483 385 N N 2.480 121.008 118.700 -0.287 0.000 3.465 385 N HA 0.259 4.998 4.740 -0.001 0.000 0.244 385 N C -1.912 173.711 175.510 0.187 0.000 1.454 385 N CA -0.512 52.554 53.050 0.027 0.000 0.865 385 N CB 1.306 39.888 38.487 0.159 0.000 1.439 385 N HN 0.663 nan 8.380 nan 0.000 0.480 386 M N 1.533 121.263 119.600 0.217 0.000 2.088 386 M HA 0.431 4.910 4.480 -0.001 0.000 0.346 386 M C -1.691 174.779 176.300 0.283 0.000 1.111 386 M CA -0.496 54.935 55.300 0.218 0.000 1.017 386 M CB 0.666 33.363 32.600 0.162 0.000 1.568 386 M HN 0.527 nan 8.290 nan 0.000 0.445 387 W N 3.249 124.574 121.300 0.041 0.000 3.439 387 W HA 0.380 5.040 4.660 -0.001 0.000 0.323 387 W C -1.106 175.329 176.519 -0.141 0.000 1.174 387 W CA -0.534 56.774 57.345 -0.062 0.000 1.224 387 W CB 1.586 31.000 29.460 -0.077 0.000 1.348 387 W HN 0.519 nan 8.180 nan 0.000 0.498 388 S N 2.164 117.590 115.700 -0.456 0.000 2.557 388 S HA 0.030 4.499 4.470 -0.001 0.000 0.223 388 S C 1.336 175.440 174.600 -0.828 0.000 0.969 388 S CA 0.850 58.734 58.200 -0.526 0.000 0.927 388 S CB -0.019 63.033 63.200 -0.247 0.000 0.806 388 S HN 1.071 nan 8.310 nan 0.000 0.489 389 T N -0.881 112.576 114.554 -1.830 0.000 6.885 389 T HA -0.277 4.072 4.350 -0.001 0.000 0.286 389 T C 1.040 175.387 174.700 -0.588 0.000 2.119 389 T CA 2.023 63.092 62.100 -1.718 0.000 3.358 389 T CB -2.675 65.506 68.868 -1.145 0.000 1.764 389 T HN 0.569 nan 8.240 nan 0.000 1.202 390 T N -2.834 111.484 114.554 -0.393 0.000 3.034 390 T HA 0.347 4.696 4.350 -0.001 0.000 0.248 390 T C 0.951 175.604 174.700 -0.078 0.000 1.040 390 T CA 0.296 62.288 62.100 -0.180 0.000 1.107 390 T CB 0.270 69.036 68.868 -0.171 0.000 0.932 390 T HN 0.770 nan 8.240 nan 0.000 0.474 391 Q N 0.126 119.912 119.800 -0.025 0.000 2.364 391 Q HA 0.557 4.896 4.340 -0.001 0.000 0.204 391 Q C 0.817 176.926 176.000 0.181 0.000 1.002 391 Q CA -0.399 55.405 55.803 0.002 0.000 1.012 391 Q CB 0.947 29.614 28.738 -0.119 0.000 1.188 391 Q HN 0.452 nan 8.270 nan 0.000 0.522 392 G N -0.646 108.184 108.800 0.050 0.000 2.157 392 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.239 392 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.239 392 G C -0.033 174.855 174.900 -0.020 0.000 0.982 392 G CA 0.042 45.159 45.100 0.027 0.000 0.650 392 G HN 0.325 nan 8.290 nan 0.000 0.527 393 V N 1.357 121.246 119.914 -0.042 0.000 2.585 393 V HA 0.277 4.396 4.120 -0.001 0.000 0.296 393 V C -0.930 174.981 176.094 -0.305 0.000 1.035 393 V CA -0.485 61.666 62.300 -0.248 0.000 1.084 393 V CB 1.172 32.891 31.823 -0.172 0.000 0.953 393 V HN 0.122 nan 8.190 nan 0.000 0.483 394 P HA 0.091 nan 4.420 nan 0.000 0.271 394 P C -0.098 176.918 177.300 -0.473 0.000 1.601 394 P CA 0.351 63.142 63.100 -0.515 0.000 0.856 394 P CB -0.260 31.130 31.700 -0.516 0.000 1.820 395 L N -0.610 120.375 121.223 -0.396 0.000 2.468 395 L HA 0.247 4.586 4.340 -0.001 0.000 0.254 395 L C 1.075 177.766 176.870 -0.299 0.000 1.171 395 L CA -0.629 54.107 54.840 -0.174 0.000 0.809 395 L CB 0.227 42.364 42.059 0.129 0.000 1.155 395 L HN -0.115 nan 8.230 nan 0.000 0.473 396 D N -0.309 120.060 120.400 -0.051 0.000 2.455 396 D HA 0.029 4.668 4.640 -0.001 0.000 0.234 396 D C 0.827 177.286 176.300 0.264 0.000 1.224 396 D CA 0.366 54.390 54.000 0.039 0.000 0.999 396 D CB 0.015 40.879 40.800 0.107 0.000 1.072 396 D HN 0.283 nan 8.370 nan 0.000 0.514 397 Y N 1.161 121.663 120.300 0.337 0.000 2.403 397 Y HA -0.146 4.403 4.550 -0.001 0.000 0.291 397 Y C 2.032 178.146 175.900 0.356 0.000 1.143 397 Y CA 0.349 58.696 58.100 0.413 0.000 1.257 397 Y CB 0.225 38.870 38.460 0.308 0.000 0.984 397 Y HN 0.388 nan 8.280 nan 0.000 0.550 398 E N 0.090 120.537 120.200 0.411 0.000 2.152 398 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 398 E C 0.201 177.013 176.600 0.353 0.000 0.983 398 E CA 0.059 56.652 56.400 0.321 0.000 0.818 398 E CB -0.067 29.775 29.700 0.237 0.000 0.758 398 E HN 0.223 nan 8.360 nan 0.000 0.467 399 F N 1.282 121.379 119.950 0.246 0.000 2.538 399 F HA 0.061 4.587 4.527 -0.001 0.000 0.371 399 F C -0.391 175.585 175.800 0.292 0.000 1.087 399 F CA -0.436 57.707 58.000 0.239 0.000 1.250 399 F CB 0.328 39.427 39.000 0.165 0.000 1.110 399 F HN -0.141 nan 8.300 nan 0.000 0.570 400 Y N 7.984 127.949 120.300 -0.559 0.000 2.335 400 Y HA 0.518 5.067 4.550 -0.001 0.000 0.338 400 Y C -1.937 173.697 175.900 -0.444 0.000 0.977 400 Y CA -1.680 56.231 58.100 -0.315 0.000 1.114 400 Y CB 0.931 39.298 38.460 -0.154 0.000 1.182 400 Y HN 0.567 nan 8.280 nan 0.000 0.463 401 F N 8.503 127.858 119.950 -0.992 0.000 2.588 401 F HA 0.579 5.106 4.527 -0.001 0.000 0.318 401 F C -2.792 172.549 175.800 -0.765 0.000 1.155 401 F CA -2.425 55.081 58.000 -0.822 0.000 0.967 401 F CB 1.786 40.646 39.000 -0.233 0.000 1.236 401 F HN 0.395 nan 8.300 nan 0.000 0.455 402 P HA 0.255 nan 4.420 nan 0.000 0.269 402 P C -0.345 176.797 177.300 -0.263 0.000 1.209 402 P CA 0.019 62.666 63.100 -0.755 0.000 0.776 402 P CB 0.762 31.659 31.700 -1.338 0.000 0.876 403 G N 0.822 109.519 108.800 -0.172 0.000 2.491 403 G HA2 0.320 4.279 3.960 -0.001 0.000 0.327 403 G HA3 0.320 4.279 3.960 -0.001 0.000 0.327 403 G C 0.209 174.916 174.900 -0.322 0.000 1.189 403 G CA -0.545 44.438 45.100 -0.196 0.000 0.956 403 G HN 0.550 nan 8.290 nan 0.000 0.491 404 Y N -0.856 119.223 120.300 -0.368 0.000 2.274 404 Y HA 0.023 4.572 4.550 -0.001 0.000 0.290 404 Y C 2.480 178.105 175.900 -0.459 0.000 1.145 404 Y CA 1.069 58.852 58.100 -0.527 0.000 1.203 404 Y CB -0.929 36.822 38.460 -1.182 0.000 0.984 404 Y HN 0.366 nan 8.280 nan 0.000 0.533 405 A N 0.886 123.309 122.820 -0.661 0.000 2.225 405 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 405 A C 1.720 179.129 177.584 -0.292 0.000 1.164 405 A CA 1.280 52.929 52.037 -0.647 0.000 0.710 405 A CB -0.815 17.683 19.000 -0.836 0.000 0.780 405 A HN 0.681 nan 8.150 nan 0.000 0.473 406 E N -1.219 118.894 120.200 -0.145 0.000 2.403 406 E HA 0.275 4.624 4.350 -0.001 0.000 0.187 406 E C 1.253 177.964 176.600 0.185 0.000 1.073 406 E CA 0.197 56.630 56.400 0.054 0.000 0.888 406 E CB -0.242 29.490 29.700 0.054 0.000 1.035 406 E HN 0.698 nan 8.360 nan 0.000 0.471 407 G N 0.698 109.620 108.800 0.204 0.000 2.234 407 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.260 407 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.260 407 G C 0.940 176.050 174.900 0.350 0.000 0.987 407 G CA 0.094 45.389 45.100 0.326 0.000 0.625 407 G HN 0.709 nan 8.290 nan 0.000 0.532 408 G N 0.737 109.765 108.800 0.380 0.000 2.665 408 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.326 408 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.326 408 G C 1.370 176.533 174.900 0.438 0.000 1.231 408 G CA 2.515 47.904 45.100 0.482 0.000 0.992 408 G HN 1.953 nan 8.290 nan 0.000 0.549 409 I N -0.008 120.648 120.570 0.144 0.000 3.793 409 I HA 0.299 4.468 4.170 -0.001 0.000 0.315 409 I C 2.390 178.566 176.117 0.099 0.000 1.275 409 I CA 1.450 62.704 61.300 -0.077 0.000 1.214 409 I CB 0.122 37.615 38.000 -0.846 0.000 1.018 409 I HN 0.496 nan 8.210 nan 0.000 0.439 410 S N 1.578 117.379 115.700 0.168 0.000 2.362 410 S HA 0.140 4.610 4.470 -0.001 0.000 0.221 410 S C 1.941 176.574 174.600 0.054 0.000 1.032 410 S CA 0.815 59.092 58.200 0.128 0.000 0.973 410 S CB -0.850 62.472 63.200 0.204 0.000 0.849 410 S HN 0.789 nan 8.310 nan 0.000 0.465 411 G N 1.602 110.488 108.800 0.143 0.000 2.143 411 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 411 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 411 G C -0.207 174.625 174.900 -0.114 0.000 0.991 411 G CA 0.266 45.358 45.100 -0.013 0.000 0.689 411 G HN 0.683 nan 8.290 nan 0.000 0.522 412 D N 0.210 120.580 120.400 -0.051 0.000 2.357 412 D HA 0.254 4.894 4.640 -0.001 0.000 0.265 412 D C 1.562 177.806 176.300 -0.093 0.000 1.334 412 D CA 0.069 53.991 54.000 -0.129 0.000 0.984 412 D CB -0.088 40.567 40.800 -0.242 0.000 1.077 412 D HN 0.200 nan 8.370 nan 0.000 0.514 413 C N 3.038 122.272 119.300 -0.111 0.000 2.472 413 C HA -0.040 4.419 4.460 -0.001 0.000 0.278 413 C C 2.181 177.152 174.990 -0.033 0.000 1.447 413 C CA 0.066 59.043 59.018 -0.069 0.000 1.773 413 C CB -0.678 27.005 27.740 -0.095 0.000 1.793 413 C HN 0.687 nan 8.230 nan 0.000 0.544 414 E N 1.111 121.260 120.200 -0.085 0.000 2.276 414 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 414 E C 1.504 178.051 176.600 -0.089 0.000 0.983 414 E CA 0.936 57.288 56.400 -0.080 0.000 0.861 414 E CB -0.034 29.590 29.700 -0.126 0.000 0.817 414 E HN 0.530 nan 8.360 nan 0.000 0.485 415 N N -0.249 118.351 118.700 -0.168 0.000 2.170 415 N HA 0.093 4.832 4.740 -0.001 0.000 0.222 415 N C -0.627 174.979 175.510 0.161 0.000 1.218 415 N CA 0.439 53.397 53.050 -0.153 0.000 0.889 415 N CB 1.286 39.362 38.487 -0.684 0.000 1.083 415 N HN 0.114 nan 8.380 nan 0.000 0.520 416 S N -1.105 114.706 115.700 0.184 0.000 2.697 416 S HA 0.670 5.139 4.470 -0.001 0.000 0.289 416 S C 0.087 174.807 174.600 0.200 0.000 1.149 416 S CA -0.635 57.753 58.200 0.313 0.000 0.850 416 S CB 1.983 65.386 63.200 0.340 0.000 1.151 416 S HN -0.027 nan 8.310 nan 0.000 0.491 417 A N 0.202 123.122 122.820 0.166 0.000 2.327 417 A HA 0.637 4.956 4.320 -0.001 0.000 0.228 417 A C 1.845 179.575 177.584 0.244 0.000 1.275 417 A CA 0.467 52.641 52.037 0.228 0.000 0.875 417 A CB -1.392 17.758 19.000 0.250 0.000 0.925 417 A HN 1.380 nan 8.150 nan 0.000 0.493 418 A N -0.115 122.805 122.820 0.168 0.000 1.986 418 A HA -0.011 4.308 4.320 -0.001 0.000 0.220 418 A C 2.218 179.762 177.584 -0.067 0.000 1.171 418 A CA 1.826 53.928 52.037 0.109 0.000 0.640 418 A CB -0.970 18.076 19.000 0.077 0.000 0.811 418 A HN 0.785 nan 8.150 nan 0.000 0.451 419 G N -1.981 106.796 108.800 -0.039 0.000 2.509 419 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.218 419 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.218 419 G C 1.292 176.227 174.900 0.057 0.000 1.124 419 G CA 0.931 45.977 45.100 -0.090 0.000 0.776 419 G HN 0.482 nan 8.290 nan 0.000 0.547 420 F N 0.350 120.256 119.950 -0.073 0.000 2.098 420 F HA 0.181 4.707 4.527 -0.001 0.000 0.294 420 F C 2.268 177.968 175.800 -0.166 0.000 1.107 420 F CA 2.044 59.920 58.000 -0.206 0.000 1.234 420 F CB 0.263 38.902 39.000 -0.601 0.000 1.002 420 F HN 0.144 nan 8.300 nan 0.000 0.472 421 K N -3.084 117.249 120.400 -0.111 0.000 3.019 421 K HA -0.031 4.288 4.320 -0.001 0.000 0.192 421 K C 1.815 178.398 176.600 -0.028 0.000 1.680 421 K CA 0.108 56.310 56.287 -0.142 0.000 1.375 421 K CB -0.800 31.472 32.500 -0.380 0.000 1.968 421 K HN 0.064 nan 8.250 nan 0.000 0.624 422 F N 2.759 122.666 119.950 -0.072 0.000 2.161 422 F HA -0.050 4.476 4.527 -0.001 0.000 0.300 422 F C 1.941 177.641 175.800 -0.166 0.000 1.089 422 F CA 1.796 59.761 58.000 -0.059 0.000 1.282 422 F CB -0.417 38.583 39.000 -0.001 0.000 1.010 422 F HN 0.192 nan 8.300 nan 0.000 0.485 423 A N -0.160 122.447 122.820 -0.355 0.000 1.873 423 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 423 A C 2.195 179.505 177.584 -0.456 0.000 1.193 423 A CA 1.962 53.714 52.037 -0.476 0.000 0.629 423 A CB -1.818 16.705 19.000 -0.795 0.000 0.826 423 A HN 0.643 nan 8.150 nan 0.000 0.447 424 W N -0.564 120.664 121.300 -0.120 0.000 2.350 424 W HA -0.139 4.520 4.660 -0.001 0.000 0.289 424 W C 2.587 178.982 176.519 -0.206 0.000 1.215 424 W CA 0.993 58.249 57.345 -0.150 0.000 1.236 424 W CB -0.151 29.201 29.460 -0.182 0.000 1.130 424 W HN 0.259 nan 8.180 nan 0.000 0.541 425 R N -0.867 119.550 120.500 -0.140 0.000 2.112 425 R HA -0.008 4.331 4.340 -0.001 0.000 0.216 425 R C 2.098 178.130 176.300 -0.446 0.000 1.080 425 R CA 1.166 57.122 56.100 -0.239 0.000 0.996 425 R CB -0.544 29.649 30.300 -0.179 0.000 0.902 425 R HN 0.130 nan 8.270 nan 0.000 0.449 426 M N 0.070 119.173 119.600 -0.827 0.000 2.200 426 M HA 0.032 4.511 4.480 -0.001 0.000 0.265 426 M C -0.349 175.397 176.300 -0.923 0.000 1.066 426 M CA 1.603 56.264 55.300 -1.066 0.000 1.127 426 M CB 0.350 31.944 32.600 -1.676 0.000 1.379 426 M HN -0.172 nan 8.290 nan 0.000 0.420 427 F N 0.345 120.116 119.950 -0.299 0.000 2.480 427 F HA 0.299 4.825 4.527 -0.001 0.000 0.329 427 F C 0.673 176.365 175.800 -0.181 0.000 1.091 427 F CA -1.030 56.837 58.000 -0.222 0.000 0.972 427 F CB 0.914 39.793 39.000 -0.200 0.000 1.150 427 F HN 0.157 nan 8.300 nan 0.000 0.467 428 D N -0.340 120.026 120.400 -0.056 0.000 2.431 428 D HA 0.167 4.806 4.640 -0.001 0.000 0.213 428 D C 1.520 177.761 176.300 -0.099 0.000 1.130 428 D CA 0.254 54.205 54.000 -0.082 0.000 0.834 428 D CB 0.264 40.994 40.800 -0.117 0.000 0.985 428 D HN 0.786 nan 8.370 nan 0.000 0.504 429 G N 0.803 109.506 108.800 -0.161 0.000 2.187 429 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.261 429 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.261 429 G C 0.908 175.756 174.900 -0.087 0.000 1.000 429 G CA 1.118 46.161 45.100 -0.095 0.000 0.718 429 G HN 0.499 nan 8.290 nan 0.000 0.519 430 K N -2.178 118.053 120.400 -0.283 0.000 2.494 430 K HA 0.149 4.468 4.320 -0.001 0.000 0.201 430 K C 2.348 178.878 176.600 -0.117 0.000 1.338 430 K CA 0.955 57.187 56.287 -0.092 0.000 0.935 430 K CB 0.215 32.682 32.500 -0.054 0.000 1.514 430 K HN 0.363 nan 8.250 nan 0.000 0.490 431 T N -2.098 112.285 114.554 -0.285 0.000 2.971 431 T HA 0.094 4.443 4.350 -0.001 0.000 0.252 431 T C 0.541 175.117 174.700 -0.207 0.000 1.022 431 T CA 0.015 62.029 62.100 -0.143 0.000 0.980 431 T CB 0.737 69.549 68.868 -0.092 0.000 1.044 431 T HN 0.001 nan 8.240 nan 0.000 0.501 432 T N 1.208 115.461 114.554 -0.502 0.000 2.921 432 T HA 0.652 5.001 4.350 -0.001 0.000 0.297 432 T C -2.038 172.505 174.700 -0.263 0.000 1.013 432 T CA -0.750 61.257 62.100 -0.155 0.000 0.990 432 T CB 0.680 69.553 68.868 0.009 0.000 1.023 432 T HN 0.153 nan 8.240 nan 0.000 0.447 433 F N 4.145 124.296 119.950 0.335 0.000 2.577 433 F HA 0.660 5.186 4.527 -0.001 0.000 0.318 433 F C -2.226 173.366 175.800 -0.346 0.000 1.065 433 F CA -2.512 55.504 58.000 0.027 0.000 0.929 433 F CB 1.099 40.093 39.000 -0.011 0.000 1.237 433 F HN 0.338 nan 8.300 nan 0.000 0.468 434 P HA 0.170 nan 4.420 nan 0.000 0.277 434 P C -0.819 176.319 177.300 -0.270 0.000 1.276 434 P CA -0.504 62.095 63.100 -0.836 0.000 0.788 434 P CB 0.737 31.945 31.700 -0.819 0.000 1.114 435 S N 0.353 115.934 115.700 -0.198 0.000 2.399 435 S HA 0.480 4.949 4.470 -0.001 0.000 0.215 435 S C -2.655 171.877 174.600 -0.113 0.000 1.456 435 S CA -1.691 56.453 58.200 -0.093 0.000 1.199 435 S CB -0.536 62.651 63.200 -0.022 0.000 1.063 435 S HN 0.141 nan 8.310 nan 0.000 0.476 436 P HA 0.294 nan 4.420 nan 0.000 0.274 436 P C -1.030 176.209 177.300 -0.102 0.000 1.246 436 P CA -0.411 62.618 63.100 -0.118 0.000 0.795 436 P CB 0.799 32.440 31.700 -0.098 0.000 1.006 437 S N 0.979 116.608 115.700 -0.118 0.000 2.707 437 S HA 0.278 4.747 4.470 -0.001 0.000 0.303 437 S C 0.473 175.015 174.600 -0.097 0.000 1.132 437 S CA -0.659 57.479 58.200 -0.103 0.000 1.046 437 S CB -0.264 62.851 63.200 -0.143 0.000 1.004 437 S HN 0.439 nan 8.310 nan 0.000 0.483 438 N N 5.612 124.278 118.700 -0.057 0.000 2.314 438 N HA 0.139 4.878 4.740 -0.001 0.000 0.200 438 N C 0.685 176.182 175.510 -0.022 0.000 1.135 438 N CA 0.154 53.188 53.050 -0.027 0.000 0.835 438 N CB -0.122 38.370 38.487 0.007 0.000 0.989 438 N HN 0.615 nan 8.380 nan 0.000 0.478 439 L N -1.332 119.833 121.223 -0.097 0.000 2.600 439 L HA 0.238 4.577 4.340 -0.001 0.000 0.213 439 L C 0.502 177.219 176.870 -0.255 0.000 1.045 439 L CA -0.063 54.674 54.840 -0.172 0.000 0.863 439 L CB -0.157 41.783 42.059 -0.198 0.000 1.189 439 L HN 0.012 nan 8.230 nan 0.000 0.484 440 N N 1.445 119.955 118.700 -0.317 0.000 3.254 440 N HA 0.034 4.773 4.740 -0.001 0.000 0.308 440 N C -0.474 174.905 175.510 -0.219 0.000 1.281 440 N CA 0.366 53.223 53.050 -0.323 0.000 1.212 440 N CB -0.080 38.125 38.487 -0.470 0.000 1.478 440 N HN 0.097 nan 8.380 nan 0.000 0.548 441 T N -1.679 112.787 114.554 -0.146 0.000 2.816 441 T HA 0.287 4.637 4.350 -0.001 0.000 0.299 441 T C 0.983 175.663 174.700 -0.032 0.000 1.230 441 T CA -0.485 61.556 62.100 -0.098 0.000 1.007 441 T CB 0.873 69.699 68.868 -0.070 0.000 1.289 441 T HN 0.082 nan 8.240 nan 0.000 0.508 442 S N 1.129 116.828 115.700 -0.003 0.000 2.370 442 S HA -0.049 4.421 4.470 -0.001 0.000 0.226 442 S C 1.991 176.703 174.600 0.187 0.000 1.033 442 S CA 1.506 59.788 58.200 0.138 0.000 1.011 442 S CB -0.499 62.724 63.200 0.038 0.000 0.852 442 S HN 0.841 nan 8.310 nan 0.000 0.457 443 A N 0.843 123.721 122.820 0.096 0.000 2.259 443 A HA 0.499 4.819 4.320 -0.001 0.000 0.208 443 A C 1.263 178.955 177.584 0.180 0.000 1.201 443 A CA 0.589 52.703 52.037 0.128 0.000 0.824 443 A CB -0.460 18.593 19.000 0.089 0.000 0.838 443 A HN 0.470 nan 8.150 nan 0.000 0.485 444 G N -0.878 107.978 108.800 0.093 0.000 3.227 444 G HA2 0.470 4.430 3.960 -0.001 0.000 0.171 444 G HA3 0.470 4.430 3.960 -0.001 0.000 0.171 444 G C -0.251 174.466 174.900 -0.304 0.000 1.463 444 G CA -0.136 44.908 45.100 -0.093 0.000 1.016 444 G HN 0.384 nan 8.290 nan 0.000 0.594 445 Q N -0.330 119.195 119.800 -0.458 0.000 2.271 445 Q HA 0.410 4.749 4.340 -0.001 0.000 0.268 445 Q C -1.525 174.457 176.000 -0.030 0.000 1.021 445 Q CA -0.890 54.766 55.803 -0.245 0.000 0.802 445 Q CB 1.597 30.054 28.738 -0.469 0.000 1.282 445 Q HN 0.917 nan 8.270 nan 0.000 0.431 446 H N 3.415 122.505 119.070 0.032 0.000 2.966 446 H HA 0.741 5.296 4.556 -0.001 0.000 0.330 446 H C -1.212 174.175 175.328 0.099 0.000 1.292 446 H CA -0.893 55.163 56.048 0.014 0.000 1.127 446 H CB 1.496 31.260 29.762 0.002 0.000 1.863 446 H HN 0.719 nan 8.280 nan 0.000 0.543 447 I N -2.203 118.149 120.570 -0.364 0.000 2.865 447 I HA 0.551 4.720 4.170 -0.001 0.000 0.302 447 I C -3.260 172.477 176.117 -0.632 0.000 1.140 447 I CA -2.864 58.017 61.300 -0.699 0.000 1.021 447 I CB 3.002 40.599 38.000 -0.672 0.000 1.233 447 I HN 0.180 nan 8.210 nan 0.000 0.427 448 P HA 0.230 nan 4.420 nan 0.000 0.276 448 P C 0.109 177.190 177.300 -0.365 0.000 1.235 448 P CA -0.311 62.468 63.100 -0.535 0.000 0.772 448 P CB 0.992 32.330 31.700 -0.603 0.000 0.871 449 R N 3.496 123.879 120.500 -0.195 0.000 2.105 449 R HA -0.105 4.234 4.340 -0.001 0.000 0.239 449 R C 1.492 177.696 176.300 -0.161 0.000 1.135 449 R CA 1.453 57.460 56.100 -0.155 0.000 0.967 449 R CB -0.592 29.666 30.300 -0.069 0.000 0.861 449 R HN 0.450 nan 8.270 nan 0.000 0.442 450 L N 0.348 121.497 121.223 -0.124 0.000 2.456 450 L HA -0.064 4.275 4.340 -0.001 0.000 0.224 450 L C 1.089 177.803 176.870 -0.260 0.000 1.148 450 L CA 0.918 55.705 54.840 -0.089 0.000 0.825 450 L CB 0.055 42.128 42.059 0.024 0.000 0.937 450 L HN 0.044 nan 8.230 nan 0.000 0.450 451 K N -0.458 119.681 120.400 -0.434 0.000 2.676 451 K HA 0.305 4.624 4.320 -0.001 0.000 0.205 451 K C 1.293 177.451 176.600 -0.737 0.000 1.084 451 K CA -0.039 55.822 56.287 -0.709 0.000 1.057 451 K CB 0.808 32.662 32.500 -1.076 0.000 0.791 451 K HN 0.186 nan 8.250 nan 0.000 0.484 452 I N 1.626 121.826 120.570 -0.617 0.000 2.208 452 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 452 I C -0.850 174.867 176.117 -0.666 0.000 1.097 452 I CA 1.454 62.389 61.300 -0.609 0.000 1.363 452 I CB -1.063 36.678 38.000 -0.431 0.000 1.051 452 I HN 0.041 nan 8.210 nan 0.000 0.413 453 P HA -0.169 nan 4.420 nan 0.000 0.215 453 P C 1.240 178.233 177.300 -0.511 0.000 1.153 453 P CA 1.398 64.096 63.100 -0.670 0.000 0.853 453 P CB 0.033 31.264 31.700 -0.781 0.000 0.788 454 E N -1.353 118.527 120.200 -0.533 0.000 2.150 454 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 454 E C 2.054 178.462 176.600 -0.320 0.000 0.985 454 E CA 0.881 57.033 56.400 -0.413 0.000 0.814 454 E CB -1.367 28.019 29.700 -0.524 0.000 0.752 454 E HN 0.236 nan 8.360 nan 0.000 0.466 455 C N 0.040 119.087 119.300 -0.423 0.000 2.446 455 C HA 0.008 4.468 4.460 -0.001 0.000 0.277 455 C C 2.507 177.374 174.990 -0.205 0.000 1.275 455 C CA 0.263 59.093 59.018 -0.313 0.000 1.727 455 C CB -0.728 26.547 27.740 -0.776 0.000 2.010 455 C HN 0.382 nan 8.230 nan 0.000 0.486 456 I N 0.419 120.767 120.570 -0.371 0.000 2.233 456 I HA -0.199 3.970 4.170 -0.001 0.000 0.243 456 I C 2.454 178.228 176.117 -0.571 0.000 1.093 456 I CA 1.641 62.712 61.300 -0.381 0.000 1.380 456 I CB -0.333 37.418 38.000 -0.415 0.000 1.067 456 I HN 0.319 nan 8.210 nan 0.000 0.413 457 M N -0.191 119.093 119.600 -0.527 0.000 2.349 457 M HA 0.030 4.510 4.480 -0.001 0.000 0.266 457 M C 2.094 178.238 176.300 -0.259 0.000 1.076 457 M CA 1.415 56.378 55.300 -0.561 0.000 1.126 457 M CB -0.386 32.091 32.600 -0.206 0.000 1.392 457 M HN 0.293 nan 8.290 nan 0.000 0.440 458 G N -0.772 107.929 108.800 -0.164 0.000 2.608 458 G HA2 0.279 4.238 3.960 -0.001 0.000 0.210 458 G HA3 0.279 4.238 3.960 -0.001 0.000 0.210 458 G C 1.184 176.100 174.900 0.028 0.000 1.139 458 G CA 0.558 45.639 45.100 -0.031 0.000 0.812 458 G HN 0.557 nan 8.290 nan 0.000 0.529 459 G N -0.616 108.217 108.800 0.056 0.000 2.148 459 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.254 459 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.254 459 G C 0.095 175.064 174.900 0.115 0.000 0.981 459 G CA 0.931 46.097 45.100 0.110 0.000 0.670 459 G HN 0.852 nan 8.290 nan 0.000 0.528 460 K N -1.552 119.005 120.400 0.262 0.000 2.598 460 K HA 0.652 4.971 4.320 -0.001 0.000 0.271 460 K C -2.065 174.833 176.600 0.495 0.000 0.947 460 K CA -0.944 55.518 56.287 0.291 0.000 0.854 460 K CB 1.271 33.851 32.500 0.134 0.000 1.401 460 K HN 0.496 nan 8.250 nan 0.000 0.415 461 F N 1.406 121.559 119.950 0.339 0.000 2.744 461 F HA 0.365 4.891 4.527 -0.001 0.000 0.311 461 F C -1.910 174.171 175.800 0.469 0.000 1.144 461 F CA -0.438 57.780 58.000 0.363 0.000 0.938 461 F CB 1.954 41.153 39.000 0.332 0.000 1.292 461 F HN 0.421 nan 8.300 nan 0.000 0.444 462 Q N 3.466 123.068 119.800 -0.331 0.000 2.289 462 Q HA 0.505 4.844 4.340 -0.001 0.000 0.270 462 Q C -1.909 174.001 176.000 -0.150 0.000 1.038 462 Q CA -0.397 55.294 55.803 -0.187 0.000 0.812 462 Q CB 2.856 31.497 28.738 -0.162 0.000 1.300 462 Q HN 0.785 nan 8.270 nan 0.000 0.427 463 W N 1.048 122.339 121.300 -0.015 0.000 2.940 463 W HA 0.733 5.393 4.660 -0.001 0.000 0.394 463 W C -1.482 175.223 176.519 0.310 0.000 1.155 463 W CA -0.793 56.627 57.345 0.126 0.000 1.165 463 W CB 0.406 30.032 29.460 0.278 0.000 1.492 463 W HN 0.325 nan 8.180 nan 0.000 0.593 464 S N 1.180 117.204 115.700 0.542 0.000 2.454 464 S HA 0.736 5.205 4.470 -0.001 0.000 0.306 464 S C 0.068 175.151 174.600 0.804 0.000 1.100 464 S CA 0.121 58.648 58.200 0.545 0.000 1.087 464 S CB 0.839 64.326 63.200 0.479 0.000 1.019 464 S HN 1.619 nan 8.310 nan 0.000 0.480 465 G N 2.023 111.326 108.800 0.838 0.000 2.755 465 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.686 465 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.686 465 G C -0.825 174.386 174.900 0.517 0.000 1.427 465 G CA -0.671 44.882 45.100 0.756 0.000 0.873 465 G HN 0.756 nan 8.290 nan 0.000 0.580 466 K N 1.335 121.837 120.400 0.169 0.000 2.507 466 K HA 0.571 4.890 4.320 -0.001 0.000 0.253 466 K C 1.325 177.906 176.600 -0.032 0.000 0.969 466 K CA 0.517 56.689 56.287 -0.192 0.000 0.908 466 K CB 0.503 32.573 32.500 -0.716 0.000 1.127 466 K HN 2.416 nan 8.250 nan 0.000 0.437 467 G N 3.370 112.207 108.800 0.063 0.000 2.652 467 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.318 467 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.318 467 G C -0.455 174.590 174.900 0.243 0.000 1.295 467 G CA 0.163 45.303 45.100 0.067 0.000 0.999 467 G HN 0.539 nan 8.290 nan 0.000 0.548 468 F N 2.435 122.424 119.950 0.064 0.000 2.462 468 F HA 0.561 5.087 4.527 -0.001 0.000 0.360 468 F C 1.216 177.072 175.800 0.093 0.000 1.134 468 F CA -0.857 57.162 58.000 0.031 0.000 1.148 468 F CB 0.484 39.481 39.000 -0.004 0.000 1.147 468 F HN 0.707 nan 8.300 nan 0.000 0.550 469 A N 2.823 125.851 122.820 0.347 0.000 3.126 469 A HA 0.497 4.816 4.320 -0.001 0.000 0.268 469 A C 1.456 179.057 177.584 0.029 0.000 1.605 469 A CA 0.140 52.293 52.037 0.194 0.000 1.305 469 A CB -0.890 18.192 19.000 0.135 0.000 1.160 469 A HN 0.850 nan 8.150 nan 0.000 0.609 470 G N -0.119 108.735 108.800 0.090 0.000 3.088 470 G HA2 0.263 4.222 3.960 -0.001 0.000 0.217 470 G HA3 0.263 4.222 3.960 -0.001 0.000 0.217 470 G C 1.100 176.026 174.900 0.043 0.000 1.159 470 G CA 0.754 45.856 45.100 0.004 0.000 0.760 470 G HN 0.686 nan 8.290 nan 0.000 0.550 471 G N -0.105 108.746 108.800 0.085 0.000 2.421 471 G HA2 0.101 4.060 3.960 -0.001 0.000 0.216 471 G HA3 0.101 4.060 3.960 -0.001 0.000 0.216 471 G C 0.300 175.000 174.900 -0.333 0.000 1.171 471 G CA 1.117 46.225 45.100 0.012 0.000 0.775 471 G HN 0.461 nan 8.290 nan 0.000 0.543 472 D N -3.174 116.771 120.400 -0.759 0.000 2.622 472 D HA 0.279 4.918 4.640 -0.001 0.000 0.255 472 D C 1.331 177.414 176.300 -0.362 0.000 1.246 472 D CA -0.769 52.928 54.000 -0.504 0.000 0.795 472 D CB 0.577 41.053 40.800 -0.542 0.000 1.369 472 D HN -0.088 nan 8.370 nan 0.000 0.425 473 I N 0.264 120.716 120.570 -0.197 0.000 2.185 473 I HA -0.270 3.899 4.170 -0.001 0.000 0.246 473 I C 1.545 177.605 176.117 -0.095 0.000 1.088 473 I CA 1.279 62.477 61.300 -0.169 0.000 1.347 473 I CB -0.221 37.743 38.000 -0.061 0.000 1.041 473 I HN 0.215 nan 8.210 nan 0.000 0.415 474 S N -1.503 114.191 115.700 -0.009 0.000 2.575 474 S HA 0.017 4.486 4.470 -0.001 0.000 0.215 474 S C 1.511 176.216 174.600 0.175 0.000 0.966 474 S CA -0.106 58.143 58.200 0.081 0.000 0.911 474 S CB -0.370 62.887 63.200 0.095 0.000 0.780 474 S HN 0.501 nan 8.310 nan 0.000 0.514 475 H N 2.211 121.302 119.070 0.035 0.000 2.387 475 H HA -0.163 4.393 4.556 -0.001 0.000 0.299 475 H C 2.444 177.861 175.328 0.148 0.000 1.099 475 H CA 1.469 57.569 56.048 0.087 0.000 1.315 475 H CB 0.024 29.824 29.762 0.064 0.000 1.380 475 H HN 0.600 nan 8.280 nan 0.000 0.513 476 Q N 1.023 120.945 119.800 0.204 0.000 2.291 476 Q HA -0.102 4.237 4.340 -0.001 0.000 0.206 476 Q C 1.812 178.004 176.000 0.320 0.000 0.976 476 Q CA 1.045 56.988 55.803 0.234 0.000 0.875 476 Q CB -0.201 28.530 28.738 -0.012 0.000 0.927 476 Q HN 0.503 nan 8.270 nan 0.000 0.450 477 L N 0.355 121.654 121.223 0.127 0.000 2.395 477 L HA 0.046 4.385 4.340 -0.001 0.000 0.218 477 L C 1.514 178.399 176.870 0.025 0.000 1.130 477 L CA -0.103 54.671 54.840 -0.109 0.000 0.826 477 L CB -0.561 41.245 42.059 -0.422 0.000 0.941 477 L HN 0.366 nan 8.230 nan 0.000 0.451 478 H N 2.156 121.258 119.070 0.053 0.000 2.897 478 H HA 0.041 4.596 4.556 -0.001 0.000 0.347 478 H C -0.255 174.995 175.328 -0.129 0.000 1.068 478 H CA 0.395 56.402 56.048 -0.069 0.000 1.426 478 H CB 0.750 30.451 29.762 -0.102 0.000 1.410 478 H HN 0.099 nan 8.280 nan 0.000 0.597 479 Q N 4.658 124.159 119.800 -0.498 0.000 2.257 479 Q HA 0.222 4.561 4.340 -0.001 0.000 0.255 479 Q C -0.892 174.801 176.000 -0.513 0.000 0.920 479 Q CA -0.381 55.236 55.803 -0.310 0.000 0.927 479 Q CB 1.312 29.929 28.738 -0.201 0.000 1.229 479 Q HN 0.497 nan 8.270 nan 0.000 0.433 480 Y N -0.147 119.908 120.300 -0.408 0.000 2.602 480 Y HA 0.423 4.972 4.550 -0.001 0.000 0.342 480 Y C 0.373 175.688 175.900 -0.976 0.000 1.029 480 Y CA -1.009 56.709 58.100 -0.637 0.000 1.080 480 Y CB 1.829 39.829 38.460 -0.766 0.000 1.284 480 Y HN 0.532 nan 8.280 nan 0.000 0.485 481 E N 0.230 120.121 120.200 -0.515 0.000 2.429 481 E HA 0.542 4.891 4.350 -0.001 0.000 0.276 481 E C -2.214 174.443 176.600 0.096 0.000 0.953 481 E CA -1.137 55.103 56.400 -0.267 0.000 0.787 481 E CB 3.107 32.757 29.700 -0.083 0.000 1.307 481 E HN 0.561 nan 8.360 nan 0.000 0.458 482 Y N 1.371 121.804 120.300 0.221 0.000 2.386 482 Y HA 0.404 4.953 4.550 -0.001 0.000 0.334 482 Y C -2.869 173.141 175.900 0.184 0.000 1.002 482 Y CA -2.298 55.973 58.100 0.285 0.000 1.068 482 Y CB 2.208 40.927 38.460 0.432 0.000 1.203 482 Y HN 0.411 nan 8.280 nan 0.000 0.443 483 P HA 0.259 nan 4.420 nan 0.000 0.274 483 P C -0.780 176.537 177.300 0.028 0.000 1.231 483 P CA -0.140 62.717 63.100 -0.405 0.000 0.790 483 P CB 1.213 32.675 31.700 -0.396 0.000 0.951 484 A N 4.053 126.989 122.820 0.194 0.000 2.407 484 A HA 0.355 4.674 4.320 -0.001 0.000 0.248 484 A C -2.055 175.686 177.584 0.262 0.000 1.082 484 A CA -1.389 50.796 52.037 0.247 0.000 0.785 484 A CB -1.458 17.719 19.000 0.295 0.000 1.020 484 A HN 0.404 nan 8.150 nan 0.000 0.489 485 P HA 0.119 nan 4.420 nan 0.000 0.257 485 P C 1.095 178.422 177.300 0.045 0.000 1.162 485 P CA 2.276 65.434 63.100 0.095 0.000 0.762 485 P CB 0.284 32.026 31.700 0.069 0.000 0.753 486 G N 1.584 110.370 108.800 -0.024 0.000 2.234 486 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.260 486 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.260 486 G C -0.041 174.725 174.900 -0.224 0.000 0.987 486 G CA -0.302 44.708 45.100 -0.149 0.000 0.625 486 G HN 0.452 nan 8.290 nan 0.000 0.532 487 Y N 0.857 121.184 120.300 0.045 0.000 2.374 487 Y HA 0.660 5.209 4.550 -0.001 0.000 0.322 487 Y C 1.001 176.930 175.900 0.049 0.000 1.275 487 Y CA 0.116 58.253 58.100 0.063 0.000 1.307 487 Y CB 1.560 40.070 38.460 0.084 0.000 1.282 487 Y HN 0.179 nan 8.280 nan 0.000 0.509 488 S N 0.861 116.722 115.700 0.268 0.000 2.617 488 S HA 0.371 4.840 4.470 -0.001 0.000 0.283 488 S C -0.547 174.124 174.600 0.118 0.000 1.189 488 S CA -0.922 57.377 58.200 0.165 0.000 1.036 488 S CB 0.482 63.809 63.200 0.211 0.000 1.014 488 S HN 0.556 nan 8.310 nan 0.000 0.522 489 K N 1.964 122.377 120.400 0.021 0.000 2.276 489 K HA 0.208 4.527 4.320 -0.001 0.000 0.259 489 K C -0.038 176.624 176.600 0.103 0.000 1.001 489 K CA -0.451 55.850 56.287 0.024 0.000 0.927 489 K CB 0.200 32.674 32.500 -0.044 0.000 0.969 489 K HN 0.507 nan 8.250 nan 0.000 0.490 490 I N 3.154 123.839 120.570 0.192 0.000 2.598 490 I HA -0.072 4.097 4.170 -0.001 0.000 0.284 490 I C 1.219 177.350 176.117 0.022 0.000 1.140 490 I CA 0.693 62.043 61.300 0.083 0.000 1.420 490 I CB 0.509 38.495 38.000 -0.025 0.000 1.387 490 I HN 0.571 nan 8.210 nan 0.000 0.553 491 K N 5.066 125.488 120.400 0.037 0.000 2.424 491 K HA 0.320 4.640 4.320 -0.001 0.000 0.198 491 K C 0.307 177.004 176.600 0.160 0.000 1.190 491 K CA 0.476 56.781 56.287 0.030 0.000 0.935 491 K CB 0.863 33.321 32.500 -0.070 0.000 1.087 491 K HN 0.560 nan 8.250 nan 0.000 0.524 492 M N -0.310 119.418 119.600 0.214 0.000 2.644 492 M HA 0.423 4.902 4.480 -0.001 0.000 0.304 492 M C -1.749 174.756 176.300 0.342 0.000 1.215 492 M CA -0.772 54.714 55.300 0.309 0.000 0.871 492 M CB 2.330 35.159 32.600 0.380 0.000 1.740 492 M HN -0.032 nan 8.290 nan 0.000 0.464 493 F N 3.996 124.023 119.950 0.127 0.000 2.612 493 F HA 0.350 4.876 4.527 -0.001 0.000 0.332 493 F C -1.857 174.032 175.800 0.147 0.000 1.167 493 F CA -0.700 57.383 58.000 0.138 0.000 0.970 493 F CB 1.144 40.197 39.000 0.088 0.000 1.234 493 F HN 0.667 nan 8.300 nan 0.000 0.453 494 W N 8.928 130.411 121.300 0.305 0.000 2.317 494 W HA 0.356 5.015 4.660 -0.001 0.000 0.327 494 W C -1.111 175.404 176.519 -0.006 0.000 1.036 494 W CA -0.930 56.459 57.345 0.073 0.000 1.419 494 W CB 0.954 30.503 29.460 0.149 0.000 1.253 494 W HN 0.497 nan 8.180 nan 0.000 0.392 495 K N 4.316 124.777 120.400 0.101 0.000 2.143 495 K HA 0.135 4.454 4.320 -0.001 0.000 0.272 495 K C -1.331 175.416 176.600 0.246 0.000 1.001 495 K CA -0.736 55.536 56.287 -0.025 0.000 0.915 495 K CB 1.878 34.155 32.500 -0.372 0.000 1.047 495 K HN 0.283 nan 8.250 nan 0.000 0.458 496 Y N 1.626 121.954 120.300 0.047 0.000 2.464 496 Y HA 0.317 4.866 4.550 -0.001 0.000 0.326 496 Y C 0.245 176.093 175.900 -0.087 0.000 0.969 496 Y CA 0.500 58.618 58.100 0.030 0.000 1.270 496 Y CB 0.723 39.169 38.460 -0.023 0.000 1.103 496 Y HN 0.938 nan 8.280 nan 0.000 0.491 497 G N 2.778 111.500 108.800 -0.129 0.000 2.760 497 G HA2 0.194 4.154 3.960 -0.001 0.000 0.246 497 G HA3 0.194 4.154 3.960 -0.001 0.000 0.246 497 G C -0.099 174.690 174.900 -0.184 0.000 1.359 497 G CA -0.362 44.650 45.100 -0.146 0.000 0.861 497 G HN 1.464 nan 8.290 nan 0.000 0.541 498 G N -1.177 107.501 108.800 -0.203 0.000 4.485 498 G HA2 0.713 4.672 3.960 -0.001 0.000 0.238 498 G HA3 0.713 4.672 3.960 -0.001 0.000 0.238 498 G C -1.419 173.335 174.900 -0.243 0.000 1.216 498 G CA 0.686 45.632 45.100 -0.258 0.000 0.611 498 G HN 0.771 nan 8.290 nan 0.000 0.422 499 P HA 0.090 nan 4.420 nan 0.000 0.275 499 P C 0.799 177.987 177.300 -0.188 0.000 1.310 499 P CA 0.156 63.135 63.100 -0.203 0.000 0.904 499 P CB 0.315 31.927 31.700 -0.147 0.000 1.381 500 H N 0.295 119.188 119.070 -0.296 0.000 2.460 500 H HA -0.057 4.498 4.556 -0.001 0.000 0.297 500 H C 1.918 176.911 175.328 -0.558 0.000 1.103 500 H CA 0.582 56.328 56.048 -0.504 0.000 1.292 500 H CB -0.375 28.976 29.762 -0.685 0.000 1.376 500 H HN 0.093 nan 8.280 nan 0.000 0.531 501 L N -0.381 120.661 121.223 -0.301 0.000 2.131 501 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 501 L C 2.597 179.303 176.870 -0.275 0.000 1.092 501 L CA 1.181 55.819 54.840 -0.336 0.000 0.759 501 L CB -0.129 41.672 42.059 -0.429 0.000 0.903 501 L HN 0.345 nan 8.230 nan 0.000 0.435 502 G N -1.801 106.856 108.800 -0.238 0.000 3.020 502 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.217 502 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.217 502 G C 1.433 176.209 174.900 -0.208 0.000 1.144 502 G CA 0.773 45.736 45.100 -0.228 0.000 0.760 502 G HN 0.392 nan 8.290 nan 0.000 0.548 503 T N -3.074 111.347 114.554 -0.222 0.000 2.971 503 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 503 T C 1.496 176.046 174.700 -0.250 0.000 1.022 503 T CA -0.151 61.817 62.100 -0.220 0.000 0.980 503 T CB 0.254 68.987 68.868 -0.226 0.000 1.044 503 T HN -0.098 nan 8.240 nan 0.000 0.501 504 M N 2.864 122.262 119.600 -0.336 0.000 2.277 504 M HA 0.456 4.935 4.480 -0.001 0.000 0.210 504 M C 0.671 176.857 176.300 -0.190 0.000 0.951 504 M CA -0.101 54.999 55.300 -0.332 0.000 1.743 504 M CB -0.163 32.066 32.600 -0.620 0.000 1.103 504 M HN 0.349 nan 8.290 nan 0.000 0.856 505 T N -2.374 112.114 114.554 -0.110 0.000 2.887 505 T HA 0.708 5.057 4.350 -0.001 0.000 0.288 505 T C 0.059 174.747 174.700 -0.021 0.000 1.021 505 T CA -0.331 61.739 62.100 -0.049 0.000 1.000 505 T CB 1.491 70.351 68.868 -0.013 0.000 1.034 505 T HN 0.916 nan 8.240 nan 0.000 0.467 506 A N 1.906 124.700 122.820 -0.043 0.000 2.462 506 A HA -0.181 4.138 4.320 -0.001 0.000 0.294 506 A C 1.563 179.134 177.584 -0.021 0.000 1.461 506 A CA 1.206 53.214 52.037 -0.049 0.000 0.765 506 A CB -2.574 16.399 19.000 -0.045 0.000 1.071 506 A HN 1.986 nan 8.150 nan 0.000 0.401 507 T N -1.847 112.681 114.554 -0.042 0.000 3.052 507 T HA -0.177 4.172 4.350 -0.001 0.000 0.270 507 T C 1.436 176.128 174.700 -0.014 0.000 1.147 507 T CA 1.323 63.417 62.100 -0.010 0.000 1.089 507 T CB -0.403 68.358 68.868 -0.177 0.000 0.875 507 T HN 0.600 nan 8.240 nan 0.000 0.541 508 N N 2.287 120.958 118.700 -0.047 0.000 2.205 508 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 508 N C 2.135 177.632 175.510 -0.022 0.000 1.015 508 N CA 1.495 54.526 53.050 -0.031 0.000 0.862 508 N CB -0.357 38.123 38.487 -0.011 0.000 0.986 508 N HN 0.767 nan 8.380 nan 0.000 0.429 509 R N -0.476 120.001 120.500 -0.037 0.000 2.120 509 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 509 R C 1.316 177.493 176.300 -0.205 0.000 1.123 509 R CA 1.121 57.146 56.100 -0.124 0.000 0.975 509 R CB -0.849 29.335 30.300 -0.194 0.000 0.866 509 R HN 0.263 nan 8.270 nan 0.000 0.446 510 Y N 1.278 121.446 120.300 -0.221 0.000 2.373 510 Y HA 0.055 4.604 4.550 -0.001 0.000 0.293 510 Y C 2.738 178.443 175.900 -0.325 0.000 1.129 510 Y CA 1.063 58.999 58.100 -0.273 0.000 1.226 510 Y CB -0.119 38.216 38.460 -0.208 0.000 1.000 510 Y HN 0.251 nan 8.280 nan 0.000 0.549 511 A N 0.017 122.759 122.820 -0.131 0.000 1.970 511 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 511 A C 2.116 179.659 177.584 -0.069 0.000 1.170 511 A CA 1.116 53.026 52.037 -0.211 0.000 0.645 511 A CB -0.274 18.714 19.000 -0.020 0.000 0.816 511 A HN 0.336 nan 8.150 nan 0.000 0.447 512 K N -0.009 120.367 120.400 -0.039 0.000 2.103 512 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 512 K C 2.134 178.718 176.600 -0.026 0.000 1.052 512 K CA 1.561 57.854 56.287 0.010 0.000 0.945 512 K CB -0.408 32.092 32.500 0.000 0.000 0.722 512 K HN 0.786 nan 8.250 nan 0.000 0.443 513 M N -0.968 118.524 119.600 -0.181 0.000 2.279 513 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 513 M C 1.277 177.488 176.300 -0.150 0.000 1.062 513 M CA 1.673 56.833 55.300 -0.235 0.000 1.099 513 M CB -0.724 31.605 32.600 -0.452 0.000 1.394 513 M HN 0.007 nan 8.290 nan 0.000 0.426 514 Y N 2.185 122.451 120.300 -0.057 0.000 2.421 514 Y HA -0.101 4.448 4.550 -0.001 0.000 0.292 514 Y C 2.553 178.534 175.900 0.134 0.000 1.136 514 Y CA 1.591 59.708 58.100 0.028 0.000 1.255 514 Y CB -0.309 38.115 38.460 -0.059 0.000 0.991 514 Y HN 0.538 nan 8.280 nan 0.000 0.552 515 T N -3.514 111.202 114.554 0.271 0.000 3.069 515 T HA -0.002 4.347 4.350 -0.001 0.000 0.252 515 T C 0.380 175.181 174.700 0.168 0.000 1.053 515 T CA -0.218 62.016 62.100 0.223 0.000 0.964 515 T CB -0.392 68.596 68.868 0.199 0.000 1.005 515 T HN 0.186 nan 8.240 nan 0.000 0.532 516 H N 3.352 122.468 119.070 0.076 0.000 2.848 516 H HA 0.048 4.603 4.556 -0.001 0.000 0.317 516 H C 0.779 176.149 175.328 0.069 0.000 1.046 516 H CA 0.509 56.585 56.048 0.047 0.000 1.470 516 H CB 0.863 30.624 29.762 -0.001 0.000 1.483 516 H HN 0.438 nan 8.280 nan 0.000 0.548 517 D N 2.241 122.546 120.400 -0.159 0.000 2.384 517 D HA -0.170 4.470 4.640 -0.001 0.000 0.222 517 D C 1.301 177.681 176.300 0.134 0.000 0.976 517 D CA 0.930 54.929 54.000 -0.001 0.000 0.915 517 D CB 0.076 40.837 40.800 -0.065 0.000 0.896 517 D HN 0.476 nan 8.370 nan 0.000 0.523 518 S N 0.261 116.181 115.700 0.368 0.000 2.428 518 S HA -0.046 4.423 4.470 -0.001 0.000 0.230 518 S C 1.309 176.023 174.600 0.189 0.000 1.014 518 S CA -0.244 58.131 58.200 0.292 0.000 0.957 518 S CB -0.486 62.902 63.200 0.313 0.000 0.784 518 S HN 0.233 nan 8.310 nan 0.000 0.499 519 L N 2.483 123.837 121.223 0.218 0.000 2.433 519 L HA 0.217 4.556 4.340 -0.001 0.000 0.284 519 L C 1.122 178.131 176.870 0.232 0.000 1.120 519 L CA -0.135 54.821 54.840 0.194 0.000 0.879 519 L CB 0.577 42.757 42.059 0.201 0.000 1.232 519 L HN 0.359 nan 8.230 nan 0.000 0.454 520 E N 3.401 123.747 120.200 0.243 0.000 2.230 520 E HA -0.017 4.332 4.350 -0.001 0.000 0.192 520 E C -0.417 176.456 176.600 0.455 0.000 0.987 520 E CA 0.654 57.237 56.400 0.304 0.000 0.841 520 E CB 0.477 30.334 29.700 0.262 0.000 0.783 520 E HN 0.316 nan 8.360 nan 0.000 0.481 521 F N -0.006 120.053 119.950 0.181 0.000 2.650 521 F HA 0.323 4.849 4.527 -0.001 0.000 0.310 521 F C -1.828 174.020 175.800 0.081 0.000 1.112 521 F CA -1.355 56.704 58.000 0.097 0.000 0.986 521 F CB 1.650 40.733 39.000 0.139 0.000 1.285 521 F HN -0.410 nan 8.300 nan 0.000 0.440 522 V N 5.700 125.257 119.914 -0.596 0.000 2.488 522 V HA 0.519 4.638 4.120 -0.001 0.000 0.293 522 V C -0.906 174.670 176.094 -0.864 0.000 1.027 522 V CA -0.807 61.192 62.300 -0.503 0.000 0.862 522 V CB 1.349 33.098 31.823 -0.122 0.000 1.008 522 V HN 0.637 nan 8.190 nan 0.000 0.428 523 V N 2.929 122.336 119.914 -0.845 0.000 2.713 523 V HA 0.718 4.837 4.120 -0.001 0.000 0.307 523 V C 0.226 176.051 176.094 -0.448 0.000 1.052 523 V CA -0.316 61.526 62.300 -0.762 0.000 0.967 523 V CB 2.075 33.294 31.823 -1.005 0.000 1.019 523 V HN 0.842 nan 8.190 nan 0.000 0.459 524 S N 2.682 118.187 115.700 -0.325 0.000 2.733 524 S HA 0.396 4.865 4.470 -0.001 0.000 0.294 524 S C -0.837 173.694 174.600 -0.115 0.000 1.149 524 S CA -0.580 57.503 58.200 -0.195 0.000 1.034 524 S CB 1.159 64.219 63.200 -0.233 0.000 1.015 524 S HN 0.811 nan 8.310 nan 0.000 0.486 525 Q N 3.643 123.451 119.800 0.014 0.000 2.431 525 Q HA 0.629 4.968 4.340 -0.001 0.000 0.249 525 Q C -0.948 174.920 176.000 -0.220 0.000 1.025 525 Q CA -0.181 55.624 55.803 0.004 0.000 0.835 525 Q CB 0.621 29.520 28.738 0.269 0.000 1.207 525 Q HN 0.677 nan 8.270 nan 0.000 0.490 526 S N 2.636 118.197 115.700 -0.231 0.000 2.732 526 S HA 0.522 4.991 4.470 -0.001 0.000 0.293 526 S C 0.451 174.855 174.600 -0.327 0.000 1.159 526 S CA -0.695 57.330 58.200 -0.292 0.000 0.847 526 S CB 0.972 64.043 63.200 -0.215 0.000 1.169 526 S HN 0.671 nan 8.310 nan 0.000 0.501 527 I N -0.744 119.571 120.570 -0.424 0.000 3.300 527 I HA 0.229 4.398 4.170 -0.001 0.000 0.279 527 I C -0.229 175.434 176.117 -0.756 0.000 1.172 527 I CA 0.454 61.309 61.300 -0.741 0.000 1.431 527 I CB 0.321 37.515 38.000 -1.343 0.000 1.240 527 I HN 0.311 nan 8.210 nan 0.000 0.453 528 W N 0.313 121.557 121.300 -0.094 0.000 2.689 528 W HA 0.304 4.964 4.660 -0.001 0.000 0.340 528 W C -0.805 175.665 176.519 -0.082 0.000 1.060 528 W CA -1.114 56.194 57.345 -0.061 0.000 1.218 528 W CB 1.240 30.658 29.460 -0.070 0.000 1.410 528 W HN -0.205 nan 8.180 nan 0.000 0.528 529 F N 4.401 124.342 119.950 -0.015 0.000 2.509 529 F HA 0.156 4.682 4.527 -0.002 0.000 0.350 529 F C 0.361 176.041 175.800 -0.200 0.000 1.220 529 F CA 0.237 58.067 58.000 -0.283 0.000 1.151 529 F CB -0.241 38.371 39.000 -0.647 0.000 1.379 529 F HN 0.381 nan 8.300 nan 0.000 0.610 530 E N 2.337 122.269 120.200 -0.447 0.000 2.415 530 E HA 0.587 4.936 4.350 -0.001 0.000 0.271 530 E C 0.520 176.945 176.600 -0.293 0.000 1.094 530 E CA -0.785 55.413 56.400 -0.337 0.000 0.881 530 E CB 0.204 29.829 29.700 -0.125 0.000 1.581 530 E HN 0.590 nan 8.360 nan 0.000 0.460 531 G N 1.143 109.849 108.800 -0.157 0.000 2.692 531 G HA2 -0.451 3.508 3.960 -0.001 0.000 0.339 531 G HA3 -0.451 3.508 3.960 -0.001 0.000 0.339 531 G C 0.699 175.572 174.900 -0.046 0.000 1.226 531 G CA 1.084 46.136 45.100 -0.080 0.000 0.979 531 G HN 0.691 nan 8.290 nan 0.000 0.549 532 E N 0.194 120.337 120.200 -0.096 0.000 2.442 532 E HA 0.230 4.579 4.350 -0.001 0.000 0.195 532 E C 2.654 179.173 176.600 -0.135 0.000 1.030 532 E CA 0.455 56.832 56.400 -0.038 0.000 0.869 532 E CB 0.142 29.773 29.700 -0.114 0.000 0.857 532 E HN 0.305 nan 8.360 nan 0.000 0.505 533 V N 1.689 121.434 119.914 -0.281 0.000 2.380 533 V HA -0.203 3.916 4.120 -0.001 0.000 0.251 533 V C -1.110 174.715 176.094 -0.448 0.000 1.063 533 V CA 1.672 63.741 62.300 -0.385 0.000 1.055 533 V CB -1.268 30.276 31.823 -0.465 0.000 0.657 533 V HN 0.198 nan 8.190 nan 0.000 0.455 534 P HA 0.033 nan 4.420 nan 0.000 0.263 534 P C 0.500 177.601 177.300 -0.333 0.000 1.386 534 P CA 0.980 63.810 63.100 -0.450 0.000 0.797 534 P CB -0.377 30.936 31.700 -0.644 0.000 1.381 535 F N -1.341 118.442 119.950 -0.278 0.000 2.746 535 F HA 0.344 4.870 4.527 -0.001 0.000 0.313 535 F C 1.539 177.177 175.800 -0.270 0.000 1.095 535 F CA -0.331 57.450 58.000 -0.365 0.000 1.224 535 F CB -0.086 38.315 39.000 -0.998 0.000 1.060 535 F HN -0.190 nan 8.300 nan 0.000 0.584 536 A N 0.264 123.050 122.820 -0.057 0.000 2.327 536 A HA 0.179 4.498 4.320 -0.001 0.000 0.255 536 A C 0.780 178.372 177.584 0.013 0.000 1.099 536 A CA 0.058 52.037 52.037 -0.097 0.000 0.801 536 A CB 0.148 19.030 19.000 -0.197 0.000 1.062 536 A HN 0.196 nan 8.150 nan 0.000 0.496 537 D N -0.954 119.329 120.400 -0.196 0.000 2.323 537 D HA 0.173 4.812 4.640 -0.001 0.000 0.218 537 D C 0.098 176.355 176.300 -0.071 0.000 0.973 537 D CA 0.958 54.786 54.000 -0.286 0.000 0.890 537 D CB 0.238 40.495 40.800 -0.905 0.000 1.011 537 D HN 0.291 nan 8.370 nan 0.000 0.499 538 I N 1.352 121.834 120.570 -0.146 0.000 2.582 538 I HA 0.356 4.525 4.170 -0.001 0.000 0.292 538 I C -0.581 175.440 176.117 -0.158 0.000 1.066 538 I CA -0.584 60.681 61.300 -0.057 0.000 1.053 538 I CB 2.404 40.417 38.000 0.022 0.000 1.241 538 I HN -0.218 nan 8.210 nan 0.000 0.421 539 I N 6.419 126.899 120.570 -0.151 0.000 2.418 539 I HA 0.406 4.575 4.170 -0.001 0.000 0.287 539 I C -0.682 175.300 176.117 -0.224 0.000 1.008 539 I CA -0.598 60.575 61.300 -0.210 0.000 1.104 539 I CB 1.990 39.825 38.000 -0.276 0.000 1.264 539 I HN 0.217 nan 8.210 nan 0.000 0.438 540 L N 7.715 128.831 121.223 -0.177 0.000 2.296 540 L HA 0.478 4.817 4.340 -0.001 0.000 0.286 540 L C -2.479 174.341 176.870 -0.083 0.000 1.023 540 L CA -1.885 52.849 54.840 -0.176 0.000 0.812 540 L CB 1.262 43.393 42.059 0.120 0.000 1.223 540 L HN 0.240 nan 8.230 nan 0.000 0.421 541 P HA 0.165 nan 4.420 nan 0.000 0.274 541 P C -0.678 176.686 177.300 0.106 0.000 1.291 541 P CA 0.006 63.101 63.100 -0.009 0.000 0.815 541 P CB 1.000 32.698 31.700 -0.003 0.000 0.897 542 A N 3.351 126.127 122.820 -0.072 0.000 2.282 542 A HA 0.640 4.960 4.320 -0.001 0.000 0.319 542 A C 0.377 177.859 177.584 -0.171 0.000 1.121 542 A CA -0.421 51.551 52.037 -0.108 0.000 0.836 542 A CB 0.488 19.352 19.000 -0.226 0.000 1.146 542 A HN 0.682 nan 8.150 nan 0.000 0.494 543 C N 0.152 119.384 119.300 -0.113 0.000 2.401 543 C HA 0.904 5.363 4.460 -0.001 0.000 0.356 543 C C 0.895 175.833 174.990 -0.087 0.000 1.192 543 C CA 0.026 58.979 59.018 -0.108 0.000 2.028 543 C CB 0.539 28.266 27.740 -0.021 0.000 2.344 543 C HN 1.159 nan 8.230 nan 0.000 0.525 544 T N -0.158 114.381 114.554 -0.025 0.000 2.788 544 T HA 0.199 4.548 4.350 -0.001 0.000 0.287 544 T C 1.146 175.965 174.700 0.198 0.000 1.007 544 T CA 0.128 62.319 62.100 0.151 0.000 1.005 544 T CB 0.396 69.500 68.868 0.393 0.000 1.012 544 T HN 0.918 nan 8.240 nan 0.000 0.530 545 N N -0.062 118.784 118.700 0.243 0.000 2.609 545 N HA -0.075 4.664 4.740 -0.001 0.000 0.190 545 N C 0.744 176.226 175.510 -0.048 0.000 1.157 545 N CA 0.562 53.666 53.050 0.089 0.000 0.918 545 N CB -0.498 38.016 38.487 0.045 0.000 0.978 545 N HN 0.615 nan 8.380 nan 0.000 0.448 546 F N 0.843 120.829 119.950 0.060 0.000 2.797 546 F HA 0.215 4.741 4.527 -0.001 0.000 0.302 546 F C 1.067 176.832 175.800 -0.058 0.000 1.130 546 F CA 0.183 58.187 58.000 0.007 0.000 1.387 546 F CB 0.302 39.337 39.000 0.057 0.000 1.107 546 F HN 0.059 nan 8.300 nan 0.000 0.577 547 E N 0.386 120.638 120.200 0.087 0.000 2.651 547 E HA 0.193 4.542 4.350 -0.001 0.000 0.208 547 E C 0.105 176.686 176.600 -0.031 0.000 0.997 547 E CA -0.230 56.179 56.400 0.015 0.000 1.020 547 E CB 0.477 30.201 29.700 0.041 0.000 1.052 547 E HN 0.319 nan 8.360 nan 0.000 0.465 548 R N -0.977 119.473 120.500 -0.083 0.000 2.733 548 R HA 0.441 4.780 4.340 -0.001 0.000 0.272 548 R C -1.655 174.584 176.300 -0.103 0.000 1.029 548 R CA -1.029 55.046 56.100 -0.043 0.000 0.888 548 R CB 0.582 30.937 30.300 0.091 0.000 1.251 548 R HN -0.113 nan 8.270 nan 0.000 0.464 549 W N 0.668 122.035 121.300 0.111 0.000 2.376 549 W HA 0.541 5.200 4.660 -0.001 0.000 0.322 549 W C 0.105 176.696 176.519 0.120 0.000 1.160 549 W CA 0.547 57.974 57.345 0.136 0.000 1.218 549 W CB 1.123 30.701 29.460 0.195 0.000 1.205 549 W HN 0.532 nan 8.180 nan 0.000 0.559 550 D N 0.562 121.194 120.400 0.387 0.000 2.851 550 D HA 0.517 5.156 4.640 -0.001 0.000 0.339 550 D C -1.786 174.691 176.300 0.295 0.000 1.347 550 D CA -0.657 53.494 54.000 0.251 0.000 0.888 550 D CB 1.675 42.552 40.800 0.128 0.000 1.431 550 D HN 0.354 nan 8.370 nan 0.000 0.509 551 I N 0.326 121.015 120.570 0.199 0.000 2.842 551 I HA 0.538 4.707 4.170 -0.001 0.000 0.297 551 I C -1.519 174.726 176.117 0.214 0.000 1.380 551 I CA -0.003 61.488 61.300 0.319 0.000 1.018 551 I CB 1.570 39.876 38.000 0.510 0.000 1.311 551 I HN 0.599 nan 8.210 nan 0.000 0.439 552 S N 4.214 120.101 115.700 0.311 0.000 2.683 552 S HA 0.528 4.997 4.470 -0.001 0.000 0.269 552 S C -1.442 173.325 174.600 0.278 0.000 1.165 552 S CA -0.829 57.535 58.200 0.273 0.000 0.840 552 S CB 1.800 65.027 63.200 0.045 0.000 1.169 552 S HN 0.838 nan 8.310 nan 0.000 0.490 553 E N 0.115 120.520 120.200 0.342 0.000 2.266 553 E HA 0.530 4.879 4.350 -0.001 0.000 0.268 553 E C -1.321 175.621 176.600 0.570 0.000 0.879 553 E CA -0.945 55.616 56.400 0.269 0.000 0.762 553 E CB 1.097 30.861 29.700 0.107 0.000 1.199 553 E HN 0.515 nan 8.360 nan 0.000 0.422 554 F N 4.022 124.130 119.950 0.264 0.000 2.549 554 F HA 0.099 4.626 4.527 -0.001 0.000 0.400 554 F C 0.978 176.948 175.800 0.282 0.000 1.011 554 F CA 1.075 59.204 58.000 0.215 0.000 1.148 554 F CB -0.689 38.399 39.000 0.146 0.000 0.993 554 F HN 0.784 nan 8.300 nan 0.000 0.540 555 A N 3.789 127.013 122.820 0.674 0.000 2.799 555 A HA -0.335 3.984 4.320 -0.001 0.000 0.274 555 A C 0.766 178.715 177.584 0.608 0.000 1.393 555 A CA 1.084 53.413 52.037 0.487 0.000 0.909 555 A CB -2.583 16.579 19.000 0.269 0.000 1.012 555 A HN 0.778 nan 8.150 nan 0.000 0.653 556 N N -0.408 118.699 118.700 0.678 0.000 2.402 556 N HA 0.316 5.055 4.740 -0.001 0.000 0.252 556 N C 0.860 176.473 175.510 0.172 0.000 1.118 556 N CA 0.321 53.633 53.050 0.437 0.000 0.945 556 N CB 0.498 39.235 38.487 0.416 0.000 1.147 556 N HN 0.634 nan 8.380 nan 0.000 0.495 557 C N 2.726 122.040 119.300 0.022 0.000 2.587 557 C HA 0.313 4.772 4.460 -0.001 0.000 0.287 557 C C 1.426 176.077 174.990 -0.565 0.000 1.374 557 C CA 1.225 59.903 59.018 -0.568 0.000 1.770 557 C CB -0.879 26.870 27.740 0.016 0.000 2.137 557 C HN 0.885 nan 8.230 nan 0.000 0.550 558 S N -1.075 114.451 115.700 -0.291 0.000 3.521 558 S HA 0.104 4.573 4.470 -0.001 0.000 0.631 558 S C 1.082 175.339 174.600 -0.572 0.000 2.557 558 S CA 2.091 60.066 58.200 -0.374 0.000 3.244 558 S CB -1.823 61.248 63.200 -0.214 0.000 0.300 558 S HN 2.670 nan 8.310 nan 0.000 1.439 559 G N 1.031 109.421 108.800 -0.682 0.000 2.634 559 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.318 559 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.318 559 G C 0.595 175.115 174.900 -0.633 0.000 1.207 559 G CA 1.541 46.241 45.100 -0.667 0.000 0.987 559 G HN 2.113 nan 8.290 nan 0.000 0.547 560 Y N 0.666 120.905 120.300 -0.102 0.000 2.688 560 Y HA 0.568 5.117 4.550 -0.001 0.000 0.311 560 Y C 1.497 177.313 175.900 -0.139 0.000 1.185 560 Y CA 0.305 58.323 58.100 -0.136 0.000 1.336 560 Y CB -0.380 37.948 38.460 -0.220 0.000 1.015 560 Y HN 0.367 nan 8.280 nan 0.000 0.522 561 I N 1.573 122.090 120.570 -0.087 0.000 2.917 561 I HA 0.273 4.443 4.170 -0.001 0.000 0.292 561 I C -2.854 173.022 176.117 -0.402 0.000 1.510 561 I CA -1.940 59.273 61.300 -0.145 0.000 0.858 561 I CB 1.221 39.237 38.000 0.027 0.000 1.862 561 I HN -0.210 nan 8.210 nan 0.000 0.615 562 P HA -0.026 nan 4.420 nan 0.000 0.262 562 P C -0.252 176.755 177.300 -0.488 0.000 1.182 562 P CA 0.634 63.207 63.100 -0.879 0.000 0.761 562 P CB 0.239 31.240 31.700 -1.164 0.000 0.795 563 D N 1.627 121.832 120.400 -0.325 0.000 2.689 563 D HA -0.209 4.430 4.640 -0.001 0.000 0.237 563 D C 0.495 176.323 176.300 -0.788 0.000 1.148 563 D CA 1.019 54.718 54.000 -0.502 0.000 0.656 563 D CB -1.683 38.950 40.800 -0.278 0.000 1.050 563 D HN 0.661 nan 8.370 nan 0.000 0.426 564 N N -0.640 117.781 118.700 -0.464 0.000 2.461 564 N HA -0.135 4.604 4.740 -0.001 0.000 0.188 564 N C 1.734 177.116 175.510 -0.214 0.000 1.134 564 N CA 0.037 52.890 53.050 -0.328 0.000 0.878 564 N CB -0.351 38.043 38.487 -0.155 0.000 0.972 564 N HN 0.542 nan 8.380 nan 0.000 0.456 565 Y N 0.190 120.525 120.300 0.059 0.000 2.639 565 Y HA -0.043 4.506 4.550 -0.001 0.000 0.297 565 Y C 1.874 177.791 175.900 0.028 0.000 1.151 565 Y CA 0.077 58.218 58.100 0.068 0.000 1.335 565 Y CB -0.692 37.853 38.460 0.142 0.000 0.994 565 Y HN 0.305 nan 8.280 nan 0.000 0.548 566 Q N 0.822 120.511 119.800 -0.186 0.000 2.515 566 Q HA 0.029 4.368 4.340 -0.001 0.000 0.214 566 Q C 1.186 177.157 176.000 -0.049 0.000 0.971 566 Q CA 0.703 56.489 55.803 -0.028 0.000 0.952 566 Q CB -0.357 28.337 28.738 -0.074 0.000 0.999 566 Q HN 0.633 nan 8.270 nan 0.000 0.524 567 L N -0.007 121.167 121.223 -0.081 0.000 2.341 567 L HA 0.089 4.429 4.340 -0.001 0.000 0.214 567 L C 0.750 177.546 176.870 -0.122 0.000 1.115 567 L CA -0.214 54.564 54.840 -0.104 0.000 0.820 567 L CB 0.207 42.198 42.059 -0.114 0.000 0.944 567 L HN 0.319 nan 8.230 nan 0.000 0.452 568 C N -0.051 119.159 119.300 -0.150 0.000 2.362 568 C HA 0.172 4.631 4.460 -0.001 0.000 0.363 568 C C 1.756 176.770 174.990 0.041 0.000 1.220 568 C CA -0.891 58.002 59.018 -0.208 0.000 2.379 568 C CB 0.815 28.246 27.740 -0.514 0.000 2.351 568 C HN 0.363 nan 8.230 nan 0.000 0.582 569 N N 0.088 118.875 118.700 0.146 0.000 2.457 569 N HA 0.019 4.758 4.740 -0.001 0.000 0.180 569 N C -0.151 175.422 175.510 0.104 0.000 1.050 569 N CA 0.945 54.158 53.050 0.272 0.000 0.906 569 N CB -0.038 38.615 38.487 0.278 0.000 0.968 569 N HN 0.739 nan 8.380 nan 0.000 0.445 570 H N -1.290 117.967 119.070 0.312 0.000 3.016 570 H HA 0.394 4.949 4.556 -0.001 0.000 0.362 570 H C -0.482 174.955 175.328 0.181 0.000 1.233 570 H CA -0.695 55.519 56.048 0.277 0.000 1.124 570 H CB 1.442 31.402 29.762 0.330 0.000 1.850 570 H HN -0.228 nan 8.280 nan 0.000 0.549 571 R N 1.594 122.214 120.500 0.199 0.000 2.233 571 R HA 0.386 4.725 4.340 -0.001 0.000 0.334 571 R C -1.064 175.258 176.300 0.036 0.000 1.037 571 R CA -0.548 55.596 56.100 0.073 0.000 0.920 571 R CB 0.710 30.939 30.300 -0.120 0.000 1.137 571 R HN 0.200 nan 8.270 nan 0.000 0.492 572 V N 5.851 125.879 119.914 0.190 0.000 2.370 572 V HA 0.369 4.488 4.120 -0.001 0.000 0.279 572 V C 0.335 176.513 176.094 0.141 0.000 1.029 572 V CA -0.553 61.844 62.300 0.163 0.000 0.870 572 V CB 1.518 33.508 31.823 0.277 0.000 0.984 572 V HN 0.611 nan 8.190 nan 0.000 0.451 573 I N 5.005 125.637 120.570 0.104 0.000 2.339 573 I HA 0.536 4.705 4.170 -0.001 0.000 0.290 573 I C 0.138 176.476 176.117 0.369 0.000 0.994 573 I CA 0.063 61.402 61.300 0.064 0.000 1.191 573 I CB 1.840 39.736 38.000 -0.174 0.000 1.343 573 I HN 0.746 nan 8.210 nan 0.000 0.458 574 S N 6.340 122.254 115.700 0.356 0.000 2.548 574 S HA 0.615 5.084 4.470 -0.001 0.000 0.286 574 S C -0.860 173.953 174.600 0.355 0.000 1.098 574 S CA -0.891 57.520 58.200 0.352 0.000 0.930 574 S CB 2.155 65.454 63.200 0.165 0.000 1.070 574 S HN 0.466 nan 8.310 nan 0.000 0.480 575 L N 2.186 123.497 121.223 0.146 0.000 2.319 575 L HA 0.347 4.686 4.340 -0.001 0.000 0.280 575 L C -0.045 176.892 176.870 0.111 0.000 1.099 575 L CA 0.282 55.221 54.840 0.165 0.000 0.828 575 L CB 0.581 42.545 42.059 -0.158 0.000 1.150 575 L HN 0.773 nan 8.230 nan 0.000 0.442 576 Q N 5.407 125.311 119.800 0.174 0.000 2.490 576 Q HA 0.437 4.776 4.340 -0.001 0.000 0.226 576 Q C -0.049 175.963 176.000 0.020 0.000 1.132 576 Q CA -0.460 55.364 55.803 0.035 0.000 0.928 576 Q CB 0.818 29.568 28.738 0.020 0.000 1.299 576 Q HN 0.847 nan 8.270 nan 0.000 0.528 577 A N 2.934 125.700 122.820 -0.089 0.000 2.445 577 A HA 0.076 4.395 4.320 -0.001 0.000 0.242 577 A C 0.119 177.340 177.584 -0.604 0.000 1.075 577 A CA -0.219 51.637 52.037 -0.300 0.000 0.777 577 A CB 0.324 19.183 19.000 -0.236 0.000 1.013 577 A HN 0.647 nan 8.150 nan 0.000 0.493 578 K N 2.285 121.877 120.400 -1.346 0.000 2.278 578 K HA 0.210 4.529 4.320 -0.001 0.000 0.289 578 K C 0.296 176.567 176.600 -0.548 0.000 1.080 578 K CA -0.424 55.277 56.287 -0.977 0.000 0.934 578 K CB -0.249 31.392 32.500 -1.431 0.000 1.093 578 K HN 0.717 nan 8.250 nan 0.000 0.459 579 C N 4.620 123.775 119.300 -0.242 0.000 2.467 579 C HA 0.120 4.579 4.460 -0.001 0.000 0.279 579 C C 1.127 176.110 174.990 -0.011 0.000 1.347 579 C CA -0.376 58.596 59.018 -0.075 0.000 1.748 579 C CB -1.089 26.696 27.740 0.075 0.000 1.977 579 C HN 0.842 nan 8.230 nan 0.000 0.501 580 I N -3.084 117.486 120.570 -0.001 0.000 3.095 580 I HA 0.550 4.719 4.170 -0.001 0.000 0.310 580 I C -1.047 175.088 176.117 0.030 0.000 1.196 580 I CA -0.685 60.642 61.300 0.046 0.000 0.985 580 I CB 1.086 39.151 38.000 0.108 0.000 1.250 580 I HN -0.245 nan 8.210 nan 0.000 0.446 581 E N 2.484 122.720 120.200 0.060 0.000 2.398 581 E HA 0.297 4.646 4.350 -0.001 0.000 0.263 581 E C -2.362 174.277 176.600 0.064 0.000 1.046 581 E CA -1.487 54.950 56.400 0.062 0.000 0.908 581 E CB 0.121 29.866 29.700 0.076 0.000 0.963 581 E HN 0.418 nan 8.360 nan 0.000 0.431 582 P HA -0.081 nan 4.420 nan 0.000 0.263 582 P C -0.508 176.831 177.300 0.064 0.000 1.175 582 P CA 0.224 63.356 63.100 0.052 0.000 0.761 582 P CB 0.384 32.117 31.700 0.056 0.000 0.794 583 V N 4.169 124.112 119.914 0.048 0.000 2.521 583 V HA 0.375 4.494 4.120 -0.001 0.000 0.286 583 V C 1.345 177.470 176.094 0.053 0.000 1.034 583 V CA 1.269 63.608 62.300 0.065 0.000 1.045 583 V CB -0.204 31.651 31.823 0.054 0.000 0.974 583 V HN 1.067 nan 8.190 nan 0.000 0.480 584 G N 4.988 113.829 108.800 0.068 0.000 2.550 584 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.277 584 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.277 584 G C 0.417 175.383 174.900 0.109 0.000 1.190 584 G CA 0.572 45.711 45.100 0.064 0.000 0.971 584 G HN 0.719 nan 8.290 nan 0.000 0.559 585 E N 0.836 121.120 120.200 0.141 0.000 2.437 585 E HA 0.409 4.758 4.350 -0.001 0.000 0.195 585 E C 1.191 178.006 176.600 0.358 0.000 1.029 585 E CA 0.485 57.036 56.400 0.251 0.000 0.948 585 E CB -0.039 29.832 29.700 0.285 0.000 1.082 585 E HN 0.702 nan 8.360 nan 0.000 0.456 586 S N 0.468 116.295 115.700 0.212 0.000 2.614 586 S HA 0.486 4.955 4.470 -0.001 0.000 0.265 586 S C 0.143 174.851 174.600 0.179 0.000 1.303 586 S CA -0.730 57.604 58.200 0.223 0.000 1.000 586 S CB 1.061 64.291 63.200 0.050 0.000 0.935 586 S HN 0.254 nan 8.310 nan 0.000 0.551 587 M N -0.016 119.663 119.600 0.133 0.000 2.618 587 M HA 0.566 5.045 4.480 -0.001 0.000 0.281 587 M C -0.470 175.822 176.300 -0.013 0.000 1.267 587 M CA -0.976 54.319 55.300 -0.009 0.000 0.845 587 M CB 1.704 34.175 32.600 -0.214 0.000 1.732 587 M HN 0.723 nan 8.290 nan 0.000 0.461 588 S N -0.286 115.420 115.700 0.011 0.000 2.579 588 S HA 0.097 4.566 4.470 -0.001 0.000 0.275 588 S C 0.311 174.922 174.600 0.018 0.000 1.345 588 S CA -0.083 58.150 58.200 0.056 0.000 1.031 588 S CB 0.535 63.821 63.200 0.143 0.000 0.892 588 S HN 0.744 nan 8.310 nan 0.000 0.529 589 D N 0.504 120.929 120.400 0.042 0.000 2.149 589 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 589 D C 1.441 177.690 176.300 -0.085 0.000 0.990 589 D CA 1.659 55.607 54.000 -0.087 0.000 0.839 589 D CB -0.286 40.600 40.800 0.145 0.000 0.948 589 D HN 0.816 nan 8.370 nan 0.000 0.460 590 Y N 1.884 122.257 120.300 0.121 0.000 2.242 590 Y HA -0.164 4.385 4.550 -0.001 0.000 0.291 590 Y C 2.173 178.215 175.900 0.238 0.000 1.137 590 Y CA 1.337 59.620 58.100 0.306 0.000 1.181 590 Y CB 0.178 38.827 38.460 0.315 0.000 0.989 590 Y HN -0.194 nan 8.280 nan 0.000 0.527 591 E N 0.342 120.673 120.200 0.219 0.000 2.152 591 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 591 E C 2.298 178.797 176.600 -0.168 0.000 0.983 591 E CA 1.173 57.607 56.400 0.057 0.000 0.818 591 E CB -0.211 29.517 29.700 0.047 0.000 0.758 591 E HN 0.613 nan 8.360 nan 0.000 0.467 592 I N -0.012 120.403 120.570 -0.258 0.000 2.202 592 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 592 I C 2.190 178.178 176.117 -0.214 0.000 1.091 592 I CA 1.232 62.324 61.300 -0.347 0.000 1.368 592 I CB -0.424 37.398 38.000 -0.296 0.000 1.058 592 I HN 0.117 nan 8.210 nan 0.000 0.410 593 Y N 0.297 120.442 120.300 -0.258 0.000 2.274 593 Y HA -0.225 4.324 4.550 -0.001 0.000 0.290 593 Y C 2.822 178.338 175.900 -0.641 0.000 1.145 593 Y CA 0.628 58.276 58.100 -0.754 0.000 1.203 593 Y CB -0.224 37.700 38.460 -0.894 0.000 0.984 593 Y HN 0.082 nan 8.280 nan 0.000 0.533 594 R N 0.320 120.705 120.500 -0.192 0.000 2.092 594 R HA -0.167 4.172 4.340 -0.001 0.000 0.231 594 R C 2.118 178.413 176.300 -0.008 0.000 1.119 594 R CA 0.993 57.086 56.100 -0.012 0.000 0.970 594 R CB -0.305 30.026 30.300 0.052 0.000 0.864 594 R HN 0.309 nan 8.270 nan 0.000 0.440 595 L N 0.002 121.162 121.223 -0.105 0.000 2.056 595 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 595 L C 1.638 178.453 176.870 -0.092 0.000 1.078 595 L CA 1.675 56.427 54.840 -0.146 0.000 0.749 595 L CB -0.458 41.409 42.059 -0.319 0.000 0.901 595 L HN 0.110 nan 8.230 nan 0.000 0.433 596 F N -0.323 119.615 119.950 -0.021 0.000 2.134 596 F HA -0.192 4.334 4.527 -0.001 0.000 0.299 596 F C 2.510 178.419 175.800 0.181 0.000 1.097 596 F CA 1.244 59.309 58.000 0.109 0.000 1.264 596 F CB -0.729 38.349 39.000 0.129 0.000 1.001 596 F HN 0.198 nan 8.300 nan 0.000 0.479 597 A N -0.018 123.002 122.820 0.334 0.000 1.917 597 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 597 A C 2.177 179.884 177.584 0.206 0.000 1.182 597 A CA 2.119 54.318 52.037 0.271 0.000 0.633 597 A CB -0.806 18.311 19.000 0.196 0.000 0.819 597 A HN 0.377 nan 8.150 nan 0.000 0.448 598 K N -0.610 119.886 120.400 0.160 0.000 2.057 598 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 598 K C 2.004 178.675 176.600 0.119 0.000 1.049 598 K CA 1.807 58.167 56.287 0.122 0.000 0.931 598 K CB -0.125 32.424 32.500 0.082 0.000 0.714 598 K HN 0.301 nan 8.250 nan 0.000 0.440 599 K N 0.381 120.862 120.400 0.136 0.000 2.155 599 K HA 0.040 4.359 4.320 -0.001 0.000 0.203 599 K C 1.475 178.176 176.600 0.168 0.000 1.052 599 K CA 0.793 57.166 56.287 0.143 0.000 0.948 599 K CB 0.203 32.800 32.500 0.161 0.000 0.728 599 K HN 0.149 nan 8.250 nan 0.000 0.448 600 L N 0.205 121.551 121.223 0.205 0.000 2.611 600 L HA 0.120 4.459 4.340 -0.001 0.000 0.229 600 L C 0.131 177.071 176.870 0.118 0.000 1.137 600 L CA -0.191 54.750 54.840 0.168 0.000 0.901 600 L CB -0.310 41.865 42.059 0.193 0.000 1.098 600 L HN 0.294 nan 8.230 nan 0.000 0.456 601 N N 1.118 119.889 118.700 0.118 0.000 2.747 601 N HA -0.224 4.515 4.740 -0.001 0.000 0.249 601 N C 0.324 175.892 175.510 0.097 0.000 1.107 601 N CA 0.989 54.097 53.050 0.097 0.000 0.707 601 N CB -1.057 37.476 38.487 0.077 0.000 1.054 601 N HN 0.617 nan 8.380 nan 0.000 0.555 602 I N -3.953 116.691 120.570 0.122 0.000 3.817 602 I HA 0.266 4.435 4.170 -0.001 0.000 0.325 602 I C 1.395 177.633 176.117 0.202 0.000 1.550 602 I CA -0.525 60.853 61.300 0.131 0.000 1.100 602 I CB 0.311 38.370 38.000 0.097 0.000 1.216 602 I HN 0.082 nan 8.210 nan 0.000 0.481 603 E N 2.406 122.726 120.200 0.200 0.000 2.049 603 E HA -0.328 4.021 4.350 -0.001 0.000 0.198 603 E C 1.935 178.693 176.600 0.263 0.000 1.007 603 E CA 2.391 58.943 56.400 0.254 0.000 0.809 603 E CB 0.160 29.973 29.700 0.188 0.000 0.749 603 E HN 0.581 nan 8.360 nan 0.000 0.450 604 E N 0.279 120.588 120.200 0.182 0.000 2.038 604 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 604 E C 1.933 178.640 176.600 0.178 0.000 1.000 604 E CA 2.128 58.620 56.400 0.153 0.000 0.803 604 E CB -0.231 29.531 29.700 0.104 0.000 0.750 604 E HN 0.310 nan 8.360 nan 0.000 0.448 605 M N -0.595 119.109 119.600 0.173 0.000 2.159 605 M HA 0.009 4.489 4.480 -0.001 0.000 0.263 605 M C 1.986 178.442 176.300 0.261 0.000 1.063 605 M CA 1.348 56.751 55.300 0.172 0.000 1.110 605 M CB -0.582 32.087 32.600 0.115 0.000 1.374 605 M HN 0.236 nan 8.290 nan 0.000 0.411 606 F N 0.299 120.357 119.950 0.180 0.000 2.149 606 F HA -0.088 4.438 4.527 -0.001 0.000 0.294 606 F C 2.475 178.506 175.800 0.384 0.000 1.095 606 F CA 1.561 59.701 58.000 0.232 0.000 1.276 606 F CB -0.414 38.710 39.000 0.207 0.000 1.023 606 F HN 0.221 nan 8.300 nan 0.000 0.480 607 S N -0.897 114.914 115.700 0.185 0.000 2.503 607 S HA 0.064 4.533 4.470 -0.001 0.000 0.215 607 S C 0.879 175.610 174.600 0.219 0.000 1.003 607 S CA 0.489 58.837 58.200 0.246 0.000 0.910 607 S CB -0.493 62.918 63.200 0.352 0.000 0.790 607 S HN 0.520 nan 8.310 nan 0.000 0.514 608 E N 0.529 120.834 120.200 0.174 0.000 2.660 608 E HA -0.218 4.131 4.350 -0.001 0.000 0.260 608 E C 0.776 177.350 176.600 -0.043 0.000 1.122 608 E CA 0.363 56.803 56.400 0.067 0.000 0.755 608 E CB -1.946 27.773 29.700 0.032 0.000 1.345 608 E HN 1.014 nan 8.360 nan 0.000 0.421 609 G N -0.046 108.767 108.800 0.023 0.000 2.155 609 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.257 609 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.257 609 G C 0.064 174.923 174.900 -0.068 0.000 0.983 609 G CA 0.994 46.093 45.100 -0.003 0.000 0.676 609 G HN 0.283 nan 8.290 nan 0.000 0.528 610 K N 0.826 121.141 120.400 -0.141 0.000 2.156 610 K HA 0.562 4.881 4.320 -0.001 0.000 0.254 610 K C -0.111 176.479 176.600 -0.017 0.000 0.950 610 K CA -0.443 55.679 56.287 -0.276 0.000 0.849 610 K CB 1.246 33.212 32.500 -0.890 0.000 1.100 610 K HN 0.353 nan 8.250 nan 0.000 0.434 611 D N 0.021 120.400 120.400 -0.034 0.000 2.478 611 D HA 0.069 4.708 4.640 -0.001 0.000 0.263 611 D C 0.460 176.730 176.300 -0.050 0.000 1.153 611 D CA -0.601 53.450 54.000 0.085 0.000 1.038 611 D CB 0.596 41.440 40.800 0.074 0.000 1.120 611 D HN 0.489 nan 8.370 nan 0.000 0.564 612 E N -1.121 119.027 120.200 -0.086 0.000 2.097 612 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 612 E C 1.735 178.357 176.600 0.037 0.000 1.000 612 E CA 0.746 57.087 56.400 -0.098 0.000 0.804 612 E CB -0.143 29.578 29.700 0.034 0.000 0.740 612 E HN 0.307 nan 8.360 nan 0.000 0.454 613 L N 0.702 121.927 121.223 0.003 0.000 2.083 613 L HA -0.109 4.230 4.340 -0.001 0.000 0.209 613 L C 2.155 178.941 176.870 -0.140 0.000 1.083 613 L CA 1.882 56.679 54.840 -0.070 0.000 0.752 613 L CB -0.748 41.128 42.059 -0.306 0.000 0.899 613 L HN 0.055 nan 8.230 nan 0.000 0.433 614 A N -1.764 120.948 122.820 -0.181 0.000 1.930 614 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 614 A C 2.129 179.557 177.584 -0.261 0.000 1.175 614 A CA 1.562 53.429 52.037 -0.282 0.000 0.627 614 A CB -1.201 17.604 19.000 -0.324 0.000 0.815 614 A HN 0.640 nan 8.150 nan 0.000 0.443 615 W N -0.994 120.188 121.300 -0.196 0.000 2.467 615 W HA -0.126 4.533 4.660 -0.001 0.000 0.275 615 W C 2.450 178.894 176.519 -0.125 0.000 1.239 615 W CA 0.586 57.840 57.345 -0.153 0.000 1.266 615 W CB -0.284 29.075 29.460 -0.169 0.000 1.112 615 W HN 0.351 nan 8.180 nan 0.000 0.576 616 C N -0.735 118.602 119.300 0.063 0.000 2.453 616 C HA -0.179 4.280 4.460 -0.001 0.000 0.277 616 C C 2.541 177.338 174.990 -0.321 0.000 1.262 616 C CA 1.422 60.443 59.018 0.006 0.000 1.718 616 C CB -1.134 26.699 27.740 0.154 0.000 2.031 616 C HN 0.410 nan 8.230 nan 0.000 0.480 617 E N 0.452 120.135 120.200 -0.862 0.000 2.077 617 E HA -0.284 4.065 4.350 -0.001 0.000 0.193 617 E C 2.231 178.583 176.600 -0.413 0.000 0.989 617 E CA 1.260 56.887 56.400 -1.287 0.000 0.800 617 E CB -0.272 28.591 29.700 -1.394 0.000 0.746 617 E HN 0.691 nan 8.360 nan 0.000 0.452 618 Q N -0.698 118.966 119.800 -0.227 0.000 2.124 618 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 618 Q C 1.935 177.962 176.000 0.046 0.000 0.977 618 Q CA 1.552 57.303 55.803 -0.087 0.000 0.850 618 Q CB -0.229 28.467 28.738 -0.069 0.000 0.901 618 Q HN 0.446 nan 8.270 nan 0.000 0.429 619 Y N 0.000 120.316 120.300 0.026 0.000 2.145 619 Y HA -0.279 4.270 4.550 -0.001 0.000 0.286 619 Y C 1.886 177.855 175.900 0.114 0.000 1.145 619 Y CA 1.946 60.123 58.100 0.129 0.000 1.148 619 Y CB -0.482 38.065 38.460 0.144 0.000 0.981 619 Y HN 0.257 nan 8.280 nan 0.000 0.507 620 F N 1.507 121.570 119.950 0.188 0.000 2.043 620 F HA -0.354 4.172 4.527 -0.001 0.000 0.297 620 F C 2.027 177.859 175.800 0.053 0.000 1.118 620 F CA 2.328 60.435 58.000 0.178 0.000 1.202 620 F CB -0.664 38.489 39.000 0.255 0.000 0.965 620 F HN 0.072 nan 8.300 nan 0.000 0.482 621 N N 0.403 119.242 118.700 0.231 0.000 2.585 621 N HA -0.064 4.675 4.740 -0.001 0.000 0.188 621 N C 1.351 176.827 175.510 -0.056 0.000 1.102 621 N CA 0.953 54.054 53.050 0.085 0.000 0.920 621 N CB -0.386 38.150 38.487 0.082 0.000 0.963 621 N HN 0.419 nan 8.380 nan 0.000 0.447 622 A N 0.035 122.796 122.820 -0.100 0.000 2.308 622 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 622 A C 1.266 178.815 177.584 -0.059 0.000 1.216 622 A CA 0.103 52.065 52.037 -0.126 0.000 0.864 622 A CB -0.070 18.778 19.000 -0.254 0.000 0.902 622 A HN 0.327 nan 8.150 nan 0.000 0.499 623 T N -4.243 110.200 114.554 -0.184 0.000 2.876 623 T HA 0.405 4.754 4.350 -0.001 0.000 0.277 623 T C 0.066 174.655 174.700 -0.185 0.000 0.997 623 T CA -0.091 61.853 62.100 -0.260 0.000 0.966 623 T CB 0.817 69.377 68.868 -0.513 0.000 1.312 623 T HN -0.073 nan 8.240 nan 0.000 0.598 624 D N -0.341 119.909 120.400 -0.250 0.000 2.350 624 D HA 0.147 4.786 4.640 -0.001 0.000 0.213 624 D C 1.891 178.198 176.300 0.013 0.000 1.031 624 D CA 0.107 54.002 54.000 -0.176 0.000 0.861 624 D CB -0.070 40.488 40.800 -0.403 0.000 0.926 624 D HN 0.276 nan 8.370 nan 0.000 0.520 625 M N 0.514 120.065 119.600 -0.082 0.000 2.108 625 M HA -0.128 4.351 4.480 -0.001 0.000 0.257 625 M C -0.792 175.450 176.300 -0.098 0.000 1.071 625 M CA 1.546 56.767 55.300 -0.132 0.000 1.093 625 M CB -2.033 30.070 32.600 -0.829 0.000 1.345 625 M HN -0.037 nan 8.290 nan 0.000 0.403 626 P HA -0.178 nan 4.420 nan 0.000 0.220 626 P C 1.055 178.390 177.300 0.059 0.000 1.144 626 P CA 1.310 64.454 63.100 0.073 0.000 0.800 626 P CB -0.221 31.519 31.700 0.066 0.000 0.772 627 K N -2.264 118.153 120.400 0.028 0.000 2.283 627 K HA -0.121 4.198 4.320 -0.001 0.000 0.202 627 K C 1.361 177.832 176.600 -0.215 0.000 1.048 627 K CA 1.273 57.504 56.287 -0.093 0.000 0.948 627 K CB -0.274 32.145 32.500 -0.134 0.000 0.742 627 K HN 0.329 nan 8.250 nan 0.000 0.458 628 Y N -0.325 119.981 120.300 0.011 0.000 2.607 628 Y HA 0.238 4.787 4.550 -0.001 0.000 0.276 628 Y C 0.864 176.723 175.900 -0.069 0.000 1.117 628 Y CA -0.391 57.683 58.100 -0.043 0.000 1.273 628 Y CB 0.681 39.034 38.460 -0.178 0.000 1.282 628 Y HN -0.065 nan 8.280 nan 0.000 0.514 629 M N -0.854 118.812 119.600 0.109 0.000 2.490 629 M HA 0.413 4.892 4.480 -0.001 0.000 0.286 629 M C -0.660 175.817 176.300 0.295 0.000 1.185 629 M CA -0.892 54.493 55.300 0.141 0.000 0.912 629 M CB 1.657 34.301 32.600 0.073 0.000 1.744 629 M HN -0.000 nan 8.290 nan 0.000 0.494 630 T N -1.293 113.398 114.554 0.228 0.000 2.748 630 T HA 0.055 4.404 4.350 -0.001 0.000 0.304 630 T C 0.825 175.610 174.700 0.142 0.000 1.041 630 T CA -0.205 62.047 62.100 0.253 0.000 1.033 630 T CB 0.985 69.940 68.868 0.144 0.000 0.995 630 T HN 0.948 nan 8.240 nan 0.000 0.536 631 W N 1.268 122.428 121.300 -0.233 0.000 2.333 631 W HA -0.199 4.460 4.660 -0.001 0.000 0.316 631 W C 1.310 177.696 176.519 -0.222 0.000 1.215 631 W CA 1.799 58.743 57.345 -0.669 0.000 1.278 631 W CB -0.542 28.644 29.460 -0.457 0.000 1.154 631 W HN 0.711 nan 8.180 nan 0.000 0.486 632 D N 0.430 120.720 120.400 -0.183 0.000 2.126 632 D HA -0.251 4.388 4.640 -0.001 0.000 0.190 632 D C 1.952 178.160 176.300 -0.153 0.000 1.001 632 D CA 2.341 56.215 54.000 -0.210 0.000 0.841 632 D CB -0.746 40.025 40.800 -0.049 0.000 0.949 632 D HN 0.431 nan 8.370 nan 0.000 0.446 633 E N -0.609 119.554 120.200 -0.062 0.000 2.110 633 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 633 E C 1.995 178.576 176.600 -0.033 0.000 0.988 633 E CA 0.449 56.837 56.400 -0.020 0.000 0.804 633 E CB -0.225 29.498 29.700 0.038 0.000 0.745 633 E HN 0.262 nan 8.360 nan 0.000 0.458 634 F N 0.935 120.757 119.950 -0.214 0.000 2.146 634 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 634 F C 2.002 177.622 175.800 -0.300 0.000 1.096 634 F CA 0.969 58.844 58.000 -0.208 0.000 1.275 634 F CB -0.317 38.581 39.000 -0.171 0.000 1.008 634 F HN -0.065 nan 8.300 nan 0.000 0.480 635 F N 1.371 120.877 119.950 -0.740 0.000 2.126 635 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 635 F C 2.486 178.014 175.800 -0.454 0.000 1.096 635 F CA 2.328 59.858 58.000 -0.784 0.000 1.255 635 F CB -0.601 37.844 39.000 -0.925 0.000 0.997 635 F HN -0.016 nan 8.300 nan 0.000 0.479 636 K N 0.356 120.608 120.400 -0.248 0.000 2.025 636 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 636 K C 2.347 178.805 176.600 -0.237 0.000 1.049 636 K CA 1.688 57.859 56.287 -0.193 0.000 0.933 636 K CB -0.261 32.194 32.500 -0.075 0.000 0.714 636 K HN 0.229 nan 8.250 nan 0.000 0.438 637 K N -1.339 118.911 120.400 -0.250 0.000 2.057 637 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 637 K C 1.196 177.655 176.600 -0.235 0.000 1.050 637 K CA 1.715 57.869 56.287 -0.221 0.000 0.935 637 K CB 0.028 32.400 32.500 -0.213 0.000 0.715 637 K HN 0.448 nan 8.250 nan 0.000 0.439 638 G N -0.766 107.762 108.800 -0.453 0.000 2.317 638 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.227 638 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.227 638 G C -0.025 174.744 174.900 -0.218 0.000 1.042 638 G CA 0.514 45.410 45.100 -0.339 0.000 0.623 638 G HN 0.519 nan 8.290 nan 0.000 0.509 639 Y N -2.089 118.070 120.300 -0.236 0.000 2.638 639 Y HA 0.790 5.339 4.550 -0.001 0.000 0.335 639 Y C -1.470 174.581 175.900 0.252 0.000 1.155 639 Y CA -2.228 55.879 58.100 0.011 0.000 1.046 639 Y CB 1.148 39.594 38.460 -0.023 0.000 1.303 639 Y HN 0.704 nan 8.280 nan 0.000 0.460 640 F N 1.945 121.954 119.950 0.099 0.000 2.588 640 F HA 0.669 5.195 4.527 -0.001 0.000 0.318 640 F C -1.945 173.787 175.800 -0.113 0.000 1.155 640 F CA -1.201 56.759 58.000 -0.067 0.000 0.967 640 F CB 1.915 40.985 39.000 0.116 0.000 1.236 640 F HN 0.499 nan 8.300 nan 0.000 0.455 641 V N 6.831 126.209 119.914 -0.892 0.000 2.334 641 V HA 0.242 4.362 4.120 -0.001 0.000 0.267 641 V C -0.072 175.301 176.094 -1.201 0.000 1.040 641 V CA -0.828 60.973 62.300 -0.832 0.000 0.866 641 V CB 0.849 32.175 31.823 -0.828 0.000 1.019 641 V HN 0.602 nan 8.190 nan 0.000 0.468 642 V N 8.515 127.862 119.914 -0.945 0.000 2.644 642 V HA 0.040 4.160 4.120 -0.001 0.000 0.305 642 V C -1.710 174.020 176.094 -0.606 0.000 1.053 642 V CA -0.671 61.069 62.300 -0.932 0.000 1.186 642 V CB 0.218 31.586 31.823 -0.758 0.000 0.895 642 V HN 0.742 nan 8.190 nan 0.000 0.490 643 P HA 0.127 nan 4.420 nan 0.000 0.270 643 P C -0.520 176.717 177.300 -0.106 0.000 1.223 643 P CA -0.300 62.657 63.100 -0.238 0.000 0.785 643 P CB 0.430 32.068 31.700 -0.104 0.000 0.923 644 D N 0.873 121.267 120.400 -0.010 0.000 2.339 644 D HA 0.072 4.712 4.640 -0.001 0.000 0.245 644 D C -0.296 176.039 176.300 0.058 0.000 1.115 644 D CA -0.033 54.000 54.000 0.054 0.000 0.917 644 D CB 0.160 41.026 40.800 0.111 0.000 1.192 644 D HN 0.093 nan 8.370 nan 0.000 0.428 645 N N 2.612 121.346 118.700 0.057 0.000 2.904 645 N HA 0.339 5.078 4.740 -0.001 0.000 0.257 645 N C -2.236 173.305 175.510 0.052 0.000 1.363 645 N CA -1.873 51.215 53.050 0.064 0.000 0.856 645 N CB 1.271 39.800 38.487 0.070 0.000 1.166 645 N HN 0.159 nan 8.380 nan 0.000 0.499 646 P HA -0.094 nan 4.420 nan 0.000 0.216 646 P C 0.691 178.021 177.300 0.049 0.000 1.150 646 P CA 1.117 64.254 63.100 0.062 0.000 0.843 646 P CB 0.414 32.153 31.700 0.065 0.000 0.787 647 N N -0.427 118.303 118.700 0.049 0.000 2.173 647 N HA -0.055 4.685 4.740 -0.001 0.000 0.184 647 N C 0.710 176.246 175.510 0.044 0.000 1.025 647 N CA 0.317 53.394 53.050 0.045 0.000 0.852 647 N CB -0.795 37.719 38.487 0.045 0.000 0.998 647 N HN 0.262 nan 8.380 nan 0.000 0.427 648 R N 2.892 123.421 120.500 0.048 0.000 2.457 648 R HA -0.141 4.198 4.340 -0.001 0.000 0.274 648 R C -0.050 176.280 176.300 0.051 0.000 0.935 648 R CA 0.278 56.410 56.100 0.053 0.000 1.115 648 R CB -0.163 30.174 30.300 0.063 0.000 0.860 648 R HN 0.185 nan 8.270 nan 0.000 0.426 649 K N 2.738 123.170 120.400 0.053 0.000 2.326 649 K HA 0.131 4.450 4.320 -0.001 0.000 0.275 649 K C -0.675 175.967 176.600 0.069 0.000 1.018 649 K CA -0.603 55.716 56.287 0.053 0.000 0.962 649 K CB 0.838 33.365 32.500 0.046 0.000 0.953 649 K HN 0.362 nan 8.250 nan 0.000 0.475 650 K N 2.295 122.736 120.400 0.069 0.000 2.218 650 K HA 0.127 4.446 4.320 -0.001 0.000 0.276 650 K C -0.333 176.328 176.600 0.101 0.000 1.022 650 K CA -0.367 55.975 56.287 0.090 0.000 0.946 650 K CB 1.259 33.800 32.500 0.068 0.000 1.000 650 K HN 0.900 nan 8.250 nan 0.000 0.468 651 T N -1.736 112.897 114.554 0.131 0.000 3.068 651 T HA 0.287 4.636 4.350 -0.001 0.000 0.364 651 T C 0.046 174.844 174.700 0.163 0.000 1.161 651 T CA -0.862 61.315 62.100 0.128 0.000 1.155 651 T CB 0.144 69.059 68.868 0.077 0.000 1.060 651 T HN 0.099 nan 8.240 nan 0.000 0.513 652 V N 2.838 122.841 119.914 0.148 0.000 2.740 652 V HA 0.471 4.590 4.120 -0.001 0.000 0.303 652 V C 1.436 177.639 176.094 0.182 0.000 1.054 652 V CA -0.518 61.862 62.300 0.133 0.000 1.106 652 V CB 0.057 31.930 31.823 0.082 0.000 0.957 652 V HN 1.131 nan 8.190 nan 0.000 0.486 653 A N 4.765 127.687 122.820 0.169 0.000 2.565 653 A HA 0.316 4.635 4.320 -0.001 0.000 0.237 653 A C 1.110 178.768 177.584 0.122 0.000 1.053 653 A CA 0.183 52.340 52.037 0.199 0.000 0.755 653 A CB -0.619 18.442 19.000 0.102 0.000 0.980 653 A HN 1.276 nan 8.150 nan 0.000 0.506 654 L N -0.453 120.827 121.223 0.096 0.000 4.914 654 L HA -0.329 4.011 4.340 -0.001 0.000 0.443 654 L C 2.082 178.821 176.870 -0.219 0.000 1.095 654 L CA 1.395 56.116 54.840 -0.197 0.000 0.975 654 L CB -1.182 40.847 42.059 -0.049 0.000 1.914 654 L HN 0.981 nan 8.230 nan 0.000 0.837 655 R N 1.069 121.541 120.500 -0.047 0.000 2.092 655 R HA -0.157 4.182 4.340 -0.001 0.000 0.231 655 R C 2.243 178.552 176.300 0.015 0.000 1.119 655 R CA 1.966 58.078 56.100 0.020 0.000 0.970 655 R CB -0.230 30.126 30.300 0.094 0.000 0.864 655 R HN 0.754 nan 8.270 nan 0.000 0.440 656 W N -0.188 121.186 121.300 0.123 0.000 2.374 656 W HA -0.192 4.467 4.660 -0.001 0.000 0.288 656 W C 1.426 178.015 176.519 0.116 0.000 1.218 656 W CA 0.254 57.654 57.345 0.092 0.000 1.245 656 W CB -1.064 28.441 29.460 0.075 0.000 1.126 656 W HN 0.073 nan 8.180 nan 0.000 0.545 657 F N 2.768 122.166 119.950 -0.920 0.000 2.234 657 F HA 0.200 4.726 4.527 -0.001 0.000 0.296 657 F C 2.541 178.152 175.800 -0.315 0.000 1.089 657 F CA 2.211 59.734 58.000 -0.795 0.000 1.343 657 F CB -0.732 37.548 39.000 -1.200 0.000 1.040 657 F HN -0.122 nan 8.300 nan 0.000 0.498 658 A N 0.246 122.909 122.820 -0.262 0.000 1.902 658 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 658 A C 1.911 179.380 177.584 -0.192 0.000 1.181 658 A CA 1.730 53.699 52.037 -0.113 0.000 0.623 658 A CB -0.792 18.325 19.000 0.195 0.000 0.818 658 A HN 0.563 nan 8.150 nan 0.000 0.443 659 E N -0.917 119.214 120.200 -0.116 0.000 2.445 659 E HA 0.286 4.635 4.350 -0.001 0.000 0.189 659 E C 0.898 177.446 176.600 -0.087 0.000 1.069 659 E CA 0.128 56.486 56.400 -0.071 0.000 0.871 659 E CB -0.248 29.453 29.700 0.003 0.000 0.991 659 E HN 0.687 nan 8.360 nan 0.000 0.481 660 G N 2.913 111.607 108.800 -0.177 0.000 2.258 660 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.274 660 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.274 660 G C 0.229 175.131 174.900 0.004 0.000 1.021 660 G CA 1.075 46.098 45.100 -0.129 0.000 0.798 660 G HN 0.386 nan 8.290 nan 0.000 0.507 661 R N -1.234 119.323 120.500 0.094 0.000 2.943 661 R HA 0.742 5.081 4.340 -0.001 0.000 0.246 661 R C -0.296 176.147 176.300 0.238 0.000 1.201 661 R CA -1.075 55.104 56.100 0.132 0.000 1.056 661 R CB 1.031 31.395 30.300 0.107 0.000 1.243 661 R HN 0.093 nan 8.270 nan 0.000 0.498 662 E N 1.559 121.832 120.200 0.122 0.000 2.437 662 E HA -0.029 4.320 4.350 -0.001 0.000 0.263 662 E C -0.501 176.051 176.600 -0.081 0.000 1.030 662 E CA -0.011 56.404 56.400 0.025 0.000 0.934 662 E CB 0.522 30.192 29.700 -0.049 0.000 0.943 662 E HN 0.239 nan 8.360 nan 0.000 0.444 663 K N 3.196 123.290 120.400 -0.510 0.000 2.412 663 K HA -0.062 4.257 4.320 -0.001 0.000 0.284 663 K C -0.515 175.683 176.600 -0.669 0.000 1.046 663 K CA 0.133 55.645 56.287 -1.291 0.000 0.999 663 K CB 0.367 31.898 32.500 -1.614 0.000 0.941 663 K HN 0.570 nan 8.250 nan 0.000 0.474 664 D N 1.579 121.672 120.400 -0.511 0.000 2.469 664 D HA -0.032 4.607 4.640 -0.001 0.000 0.213 664 D C 0.555 176.732 176.300 -0.205 0.000 1.135 664 D CA -0.224 53.635 54.000 -0.235 0.000 0.834 664 D CB 0.006 40.766 40.800 -0.067 0.000 1.009 664 D HN 0.500 nan 8.370 nan 0.000 0.507 665 T N -2.218 112.170 114.554 -0.276 0.000 2.788 665 T HA 0.412 4.761 4.350 -0.001 0.000 0.280 665 T C -1.994 172.468 174.700 -0.397 0.000 0.984 665 T CA -1.332 60.573 62.100 -0.325 0.000 0.972 665 T CB 1.550 70.228 68.868 -0.317 0.000 1.039 665 T HN -0.321 nan 8.240 nan 0.000 0.530 666 P HA 0.222 nan 4.420 nan 0.000 0.253 666 P C -0.103 177.131 177.300 -0.111 0.000 1.260 666 P CA -0.115 62.789 63.100 -0.325 0.000 0.800 666 P CB -0.103 31.427 31.700 -0.283 0.000 1.162 667 D N -1.024 119.282 120.400 -0.157 0.000 2.443 667 D HA -0.106 4.533 4.640 -0.001 0.000 0.234 667 D C 0.338 176.743 176.300 0.174 0.000 1.172 667 D CA 0.139 54.267 54.000 0.213 0.000 0.878 667 D CB 0.398 41.393 40.800 0.326 0.000 1.204 667 D HN 0.026 nan 8.370 nan 0.000 0.453 668 W N 1.849 122.990 121.300 -0.265 0.000 3.077 668 W HA 0.309 4.968 4.660 -0.001 0.000 0.245 668 W C 0.990 176.968 176.519 -0.902 0.000 1.316 668 W CA -0.003 57.013 57.345 -0.549 0.000 1.537 668 W CB -0.483 28.533 29.460 -0.740 0.000 1.131 668 W HN 0.379 nan 8.180 nan 0.000 0.695 669 G N -0.984 107.100 108.800 -1.194 0.000 2.606 669 G HA2 0.450 4.409 3.960 -0.001 0.000 0.300 669 G HA3 0.450 4.409 3.960 -0.001 0.000 0.300 669 G C -2.978 171.139 174.900 -1.305 0.000 1.360 669 G CA -1.109 42.898 45.100 -1.823 0.000 0.783 669 G HN -0.430 nan 8.290 nan 0.000 0.484 670 P HA 0.249 nan 4.420 nan 0.000 0.273 670 P C -0.460 176.523 177.300 -0.529 0.000 1.250 670 P CA -0.294 62.297 63.100 -0.848 0.000 0.793 670 P CB 0.978 32.564 31.700 -0.191 0.000 1.011 671 R N 0.638 120.939 120.500 -0.331 0.000 2.539 671 R HA 0.187 4.527 4.340 -0.001 0.000 0.275 671 R C 1.866 178.071 176.300 -0.157 0.000 1.077 671 R CA -0.555 55.419 56.100 -0.210 0.000 1.097 671 R CB 0.140 30.370 30.300 -0.116 0.000 1.018 671 R HN 0.479 nan 8.270 nan 0.000 0.483 672 L N 2.106 123.242 121.223 -0.144 0.000 2.034 672 L HA -0.344 3.995 4.340 -0.001 0.000 0.217 672 L C 1.852 178.674 176.870 -0.079 0.000 1.077 672 L CA 2.410 57.180 54.840 -0.116 0.000 0.769 672 L CB -0.740 41.253 42.059 -0.109 0.000 0.890 672 L HN 0.770 nan 8.230 nan 0.000 0.435 673 N N -1.002 117.661 118.700 -0.063 0.000 2.573 673 N HA -0.180 4.559 4.740 -0.001 0.000 0.187 673 N C 1.033 176.527 175.510 -0.026 0.000 1.107 673 N CA 1.066 54.094 53.050 -0.037 0.000 0.918 673 N CB -0.407 38.065 38.487 -0.025 0.000 0.966 673 N HN 0.414 nan 8.380 nan 0.000 0.448 674 N N -0.983 117.695 118.700 -0.036 0.000 2.235 674 N HA 0.125 4.864 4.740 -0.001 0.000 0.209 674 N C -0.738 174.767 175.510 -0.009 0.000 1.122 674 N CA -0.144 52.897 53.050 -0.016 0.000 0.845 674 N CB 0.346 38.827 38.487 -0.010 0.000 1.004 674 N HN 0.310 nan 8.380 nan 0.000 0.499 675 Q N -0.055 119.732 119.800 -0.021 0.000 2.456 675 Q HA 0.419 4.758 4.340 -0.001 0.000 0.283 675 Q C -1.283 174.713 176.000 -0.007 0.000 1.084 675 Q CA -0.803 54.997 55.803 -0.005 0.000 0.801 675 Q CB 3.053 31.774 28.738 -0.028 0.000 1.434 675 Q HN -0.105 nan 8.270 nan 0.000 0.419 676 V N 1.383 121.303 119.914 0.010 0.000 2.318 676 V HA 0.096 4.215 4.120 -0.001 0.000 0.271 676 V C -0.111 175.983 176.094 -0.001 0.000 1.030 676 V CA -0.327 61.975 62.300 0.004 0.000 0.844 676 V CB 0.644 32.475 31.823 0.013 0.000 1.015 676 V HN 1.053 nan 8.190 nan 0.000 0.460 677 C N 5.456 124.745 119.300 -0.018 0.000 4.350 677 C HA -0.143 4.316 4.460 -0.001 0.000 0.302 677 C C 1.381 176.350 174.990 -0.034 0.000 1.390 677 C CA 0.643 59.645 59.018 -0.026 0.000 2.016 677 C CB -2.379 25.351 27.740 -0.015 0.000 1.271 677 C HN 1.187 nan 8.230 nan 0.000 0.760 678 R N -1.645 118.824 120.500 -0.052 0.000 3.301 678 R HA -0.244 4.096 4.340 -0.001 0.000 0.249 678 R C -0.478 175.790 176.300 -0.053 0.000 0.964 678 R CA 1.688 57.736 56.100 -0.087 0.000 0.653 678 R CB -1.649 28.566 30.300 -0.141 0.000 1.043 678 R HN 0.791 nan 8.270 nan 0.000 0.454 679 K N 0.188 120.610 120.400 0.035 0.000 2.385 679 K HA 0.677 4.996 4.320 -0.001 0.000 0.248 679 K C 0.316 177.059 176.600 0.237 0.000 0.955 679 K CA -0.344 56.035 56.287 0.152 0.000 0.816 679 K CB 2.169 34.733 32.500 0.107 0.000 1.250 679 K HN 0.416 nan 8.250 nan 0.000 0.434 680 G N 0.909 109.972 108.800 0.439 0.000 2.814 680 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.677 680 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.677 680 G C -0.490 174.668 174.900 0.431 0.000 1.429 680 G CA -0.901 44.461 45.100 0.436 0.000 0.868 680 G HN 0.412 nan 8.290 nan 0.000 0.553 681 L N 0.173 121.564 121.223 0.280 0.000 2.475 681 L HA 0.303 4.643 4.340 -0.001 0.000 0.250 681 L C 2.258 179.168 176.870 0.066 0.000 1.224 681 L CA 0.248 55.126 54.840 0.062 0.000 0.821 681 L CB 0.505 42.477 42.059 -0.145 0.000 1.141 681 L HN 0.877 nan 8.230 nan 0.000 0.494 682 Q N 0.259 120.069 119.800 0.016 0.000 2.437 682 Q HA -0.071 4.268 4.340 -0.001 0.000 0.210 682 Q C 0.563 176.585 176.000 0.037 0.000 0.972 682 Q CA 0.723 56.557 55.803 0.052 0.000 0.903 682 Q CB 0.002 28.818 28.738 0.130 0.000 0.967 682 Q HN 0.846 nan 8.270 nan 0.000 0.486 683 T N -2.575 112.000 114.554 0.035 0.000 2.734 683 T HA 0.021 4.370 4.350 -0.001 0.000 0.314 683 T C 1.077 175.798 174.700 0.035 0.000 1.057 683 T CA 0.193 62.320 62.100 0.046 0.000 1.047 683 T CB 0.899 69.807 68.868 0.066 0.000 0.991 683 T HN 0.024 nan 8.240 nan 0.000 0.540 684 T N 1.371 115.938 114.554 0.021 0.000 2.684 684 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 684 T C 2.241 176.935 174.700 -0.010 0.000 1.036 684 T CA 2.216 64.319 62.100 0.005 0.000 1.148 684 T CB -0.964 67.900 68.868 -0.005 0.000 0.863 684 T HN 0.986 nan 8.240 nan 0.000 0.436 685 T N -1.283 113.244 114.554 -0.044 0.000 3.085 685 T HA 0.310 4.659 4.350 -0.001 0.000 0.263 685 T C 1.812 176.533 174.700 0.035 0.000 1.127 685 T CA 0.992 63.064 62.100 -0.047 0.000 1.103 685 T CB -0.279 68.491 68.868 -0.163 0.000 0.921 685 T HN 0.568 nan 8.240 nan 0.000 0.510 686 G N 1.161 110.002 108.800 0.069 0.000 2.162 686 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.260 686 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.260 686 G C -0.006 175.030 174.900 0.227 0.000 0.976 686 G CA 0.525 45.705 45.100 0.133 0.000 0.655 686 G HN 0.698 nan 8.290 nan 0.000 0.533 687 K N -0.818 119.700 120.400 0.196 0.000 2.280 687 K HA 0.691 5.010 4.320 -0.001 0.000 0.234 687 K C 0.080 176.843 176.600 0.272 0.000 1.028 687 K CA -1.022 55.441 56.287 0.295 0.000 0.882 687 K CB 2.155 34.801 32.500 0.242 0.000 1.194 687 K HN -0.011 nan 8.250 nan 0.000 0.458 688 V N 2.469 122.590 119.914 0.347 0.000 2.439 688 V HA 0.023 4.143 4.120 -0.001 0.000 0.271 688 V C -0.272 176.009 176.094 0.311 0.000 1.040 688 V CA 0.111 62.572 62.300 0.268 0.000 1.002 688 V CB 0.229 32.235 31.823 0.306 0.000 1.000 688 V HN 0.600 nan 8.190 nan 0.000 0.477 689 E N 4.771 125.094 120.200 0.205 0.000 2.014 689 E HA 0.241 4.590 4.350 -0.001 0.000 0.275 689 E C -0.132 176.563 176.600 0.158 0.000 0.997 689 E CA -0.278 56.305 56.400 0.305 0.000 0.804 689 E CB 0.664 30.529 29.700 0.275 0.000 1.090 689 E HN 0.601 nan 8.360 nan 0.000 0.401 690 F N 1.535 121.521 119.950 0.060 0.000 2.502 690 F HA 0.042 4.568 4.527 -0.001 0.000 0.298 690 F C 1.000 176.827 175.800 0.045 0.000 1.111 690 F CA 0.618 58.571 58.000 -0.080 0.000 1.445 690 F CB 0.234 39.115 39.000 -0.197 0.000 1.081 690 F HN 0.341 nan 8.300 nan 0.000 0.558 691 I N 0.484 121.217 120.570 0.272 0.000 2.464 691 I HA 0.321 4.490 4.170 -0.001 0.000 0.277 691 I C -0.121 176.146 176.117 0.249 0.000 1.040 691 I CA -0.879 60.551 61.300 0.216 0.000 1.153 691 I CB 0.836 38.932 38.000 0.159 0.000 1.274 691 I HN -0.183 nan 8.210 nan 0.000 0.469 692 A N 3.895 126.822 122.820 0.179 0.000 2.522 692 A HA 0.223 4.542 4.320 -0.001 0.000 0.256 692 A C 1.508 179.184 177.584 0.153 0.000 1.086 692 A CA 0.209 52.344 52.037 0.164 0.000 0.763 692 A CB 0.086 19.163 19.000 0.129 0.000 1.024 692 A HN 0.846 nan 8.150 nan 0.000 0.502 693 T N 0.363 115.006 114.554 0.149 0.000 2.904 693 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 693 T C 1.929 176.688 174.700 0.099 0.000 1.059 693 T CA 1.587 63.758 62.100 0.119 0.000 1.137 693 T CB -0.646 68.263 68.868 0.068 0.000 0.879 693 T HN 1.000 nan 8.240 nan 0.000 0.467 694 S N 2.558 118.317 115.700 0.099 0.000 2.356 694 S HA -0.001 4.468 4.470 -0.001 0.000 0.223 694 S C 2.103 176.722 174.600 0.032 0.000 1.032 694 S CA 1.030 59.282 58.200 0.086 0.000 1.005 694 S CB -1.050 62.251 63.200 0.169 0.000 0.867 694 S HN 0.504 nan 8.310 nan 0.000 0.449 695 L N 1.247 122.445 121.223 -0.041 0.000 2.141 695 L HA 0.035 4.374 4.340 -0.001 0.000 0.209 695 L C 2.897 179.838 176.870 0.118 0.000 1.094 695 L CA 1.334 56.159 54.840 -0.025 0.000 0.763 695 L CB -0.456 41.548 42.059 -0.093 0.000 0.908 695 L HN 0.359 nan 8.230 nan 0.000 0.437 696 K N 0.588 121.051 120.400 0.105 0.000 2.148 696 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 696 K C 1.697 178.365 176.600 0.115 0.000 1.050 696 K CA 1.387 57.740 56.287 0.111 0.000 0.942 696 K CB 0.011 32.578 32.500 0.112 0.000 0.724 696 K HN 0.444 nan 8.250 nan 0.000 0.446 697 N N -0.427 118.348 118.700 0.126 0.000 2.135 697 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 697 N C 1.680 177.294 175.510 0.173 0.000 1.027 697 N CA 0.809 53.935 53.050 0.127 0.000 0.849 697 N CB -0.151 38.408 38.487 0.120 0.000 1.002 697 N HN 0.055 nan 8.380 nan 0.000 0.425 698 F N 2.814 122.773 119.950 0.015 0.000 2.069 698 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 698 F C 2.357 178.213 175.800 0.092 0.000 1.113 698 F CA 1.663 59.670 58.000 0.011 0.000 1.214 698 F CB -0.390 38.555 39.000 -0.092 0.000 0.978 698 F HN 0.121 nan 8.300 nan 0.000 0.474 699 E N -0.658 119.610 120.200 0.112 0.000 2.268 699 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 699 E C 1.711 178.298 176.600 -0.020 0.000 0.995 699 E CA 1.489 57.892 56.400 0.005 0.000 0.836 699 E CB -0.668 29.079 29.700 0.079 0.000 0.763 699 E HN 0.587 nan 8.360 nan 0.000 0.491 700 E N 0.703 120.914 120.200 0.017 0.000 2.371 700 E HA -0.056 4.293 4.350 -0.001 0.000 0.194 700 E C 1.615 178.200 176.600 -0.025 0.000 1.012 700 E CA 0.279 56.680 56.400 0.003 0.000 0.860 700 E CB 0.144 29.862 29.700 0.030 0.000 0.811 700 E HN 0.364 nan 8.360 nan 0.000 0.502 701 Q N -0.643 119.144 119.800 -0.022 0.000 2.444 701 Q HA 0.060 4.399 4.340 -0.001 0.000 0.206 701 Q C 0.973 176.847 176.000 -0.210 0.000 0.948 701 Q CA 0.505 56.285 55.803 -0.038 0.000 0.946 701 Q CB 0.823 29.617 28.738 0.093 0.000 1.027 701 Q HN 0.381 nan 8.270 nan 0.000 0.513 702 G N -0.220 108.425 108.800 -0.257 0.000 2.211 702 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.201 702 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.201 702 G C -0.339 174.242 174.900 -0.533 0.000 0.997 702 G CA -0.617 44.253 45.100 -0.384 0.000 0.652 702 G HN 0.327 nan 8.290 nan 0.000 0.500 703 Y N 2.401 122.369 120.300 -0.552 0.000 2.632 703 Y HA 0.453 5.002 4.550 -0.001 0.000 0.336 703 Y C 0.953 176.637 175.900 -0.361 0.000 1.237 703 Y CA -0.917 56.708 58.100 -0.792 0.000 1.595 703 Y CB 0.090 37.234 38.460 -2.192 0.000 1.508 703 Y HN 0.052 nan 8.280 nan 0.000 0.480 704 I N 2.784 123.374 120.570 0.033 0.000 2.452 704 I HA 0.043 4.212 4.170 -0.001 0.000 0.287 704 I C 0.043 176.336 176.117 0.294 0.000 1.079 704 I CA -0.006 61.370 61.300 0.126 0.000 1.387 704 I CB 0.589 38.629 38.000 0.066 0.000 1.404 704 I HN 0.481 nan 8.210 nan 0.000 0.522 705 D N 5.343 125.917 120.400 0.290 0.000 2.330 705 D HA 0.081 4.720 4.640 -0.001 0.000 0.249 705 D C 0.848 177.289 176.300 0.235 0.000 1.306 705 D CA -0.341 53.855 54.000 0.327 0.000 0.956 705 D CB 0.880 41.994 40.800 0.524 0.000 1.261 705 D HN 0.632 nan 8.370 nan 0.000 0.544 706 E N 1.677 121.991 120.200 0.190 0.000 2.209 706 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 706 E C 0.168 176.774 176.600 0.010 0.000 0.993 706 E CA 1.130 57.588 56.400 0.098 0.000 0.819 706 E CB 0.154 29.905 29.700 0.085 0.000 0.745 706 E HN 0.493 nan 8.360 nan 0.000 0.477 707 H N -0.720 118.434 119.070 0.139 0.000 2.538 707 H HA 0.290 4.845 4.556 -0.001 0.000 0.286 707 H C -0.026 175.410 175.328 0.181 0.000 1.035 707 H CA 0.229 56.381 56.048 0.173 0.000 1.169 707 H CB 0.355 30.254 29.762 0.229 0.000 1.417 707 H HN -0.104 nan 8.280 nan 0.000 0.567 708 R N 1.319 121.954 120.500 0.225 0.000 2.714 708 R HA 0.119 4.458 4.340 -0.001 0.000 0.214 708 R C -3.194 173.209 176.300 0.172 0.000 1.474 708 R CA -1.297 54.931 56.100 0.213 0.000 1.435 708 R CB 0.622 31.078 30.300 0.258 0.000 1.517 708 R HN 0.135 nan 8.270 nan 0.000 0.748 709 P HA 0.045 nan 4.420 nan 0.000 0.272 709 P C 0.627 177.989 177.300 0.102 0.000 1.230 709 P CA 0.055 63.214 63.100 0.097 0.000 0.788 709 P CB 1.267 32.997 31.700 0.049 0.000 0.949 710 S N 1.426 117.182 115.700 0.093 0.000 2.423 710 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 710 S C 1.134 175.804 174.600 0.116 0.000 1.014 710 S CA 0.465 58.722 58.200 0.095 0.000 0.965 710 S CB -0.426 62.833 63.200 0.098 0.000 0.785 710 S HN 0.567 nan 8.310 nan 0.000 0.495 711 M N 2.690 122.357 119.600 0.113 0.000 2.180 711 M HA 0.277 4.756 4.480 -0.001 0.000 0.350 711 M C -0.525 175.898 176.300 0.206 0.000 1.125 711 M CA -0.707 54.691 55.300 0.163 0.000 1.031 711 M CB 0.896 33.568 32.600 0.119 0.000 1.623 711 M HN 0.337 nan 8.290 nan 0.000 0.451 712 H N 4.351 123.541 119.070 0.201 0.000 3.145 712 H HA 0.192 4.747 4.556 -0.001 0.000 0.288 712 H C -0.834 174.829 175.328 0.560 0.000 0.969 712 H CA 1.086 57.303 56.048 0.281 0.000 1.444 712 H CB 0.151 29.989 29.762 0.127 0.000 1.500 712 H HN 0.731 nan 8.280 nan 0.000 0.552 713 T N 1.677 116.300 114.554 0.115 0.000 2.812 713 T HA 0.180 4.529 4.350 -0.001 0.000 0.294 713 T C -0.813 174.102 174.700 0.359 0.000 1.159 713 T CA -1.040 61.072 62.100 0.020 0.000 1.008 713 T CB 0.567 69.160 68.868 -0.457 0.000 1.289 713 T HN 0.462 nan 8.240 nan 0.000 0.514 714 Y N 1.973 122.369 120.300 0.159 0.000 2.594 714 Y HA 0.505 5.054 4.550 -0.001 0.000 0.344 714 Y C -0.528 175.522 175.900 0.250 0.000 1.185 714 Y CA -1.007 57.286 58.100 0.320 0.000 1.565 714 Y CB -0.555 37.938 38.460 0.055 0.000 1.415 714 Y HN 0.519 nan 8.280 nan 0.000 0.488 715 V N 8.640 128.536 119.914 -0.030 0.000 2.432 715 V HA 0.247 4.366 4.120 -0.001 0.000 0.271 715 V C -2.021 173.910 176.094 -0.273 0.000 1.046 715 V CA -2.054 60.168 62.300 -0.131 0.000 0.945 715 V CB 0.732 32.529 31.823 -0.042 0.000 0.992 715 V HN 0.631 nan 8.190 nan 0.000 0.471 716 P HA 0.157 nan 4.420 nan 0.000 0.267 716 P C -0.097 177.182 177.300 -0.035 0.000 1.205 716 P CA 0.092 62.958 63.100 -0.391 0.000 0.765 716 P CB 0.494 31.750 31.700 -0.740 0.000 0.828 717 A N 5.010 127.869 122.820 0.066 0.000 2.548 717 A HA -0.003 4.316 4.320 -0.001 0.000 0.247 717 A C 1.238 178.868 177.584 0.078 0.000 1.067 717 A CA -0.408 51.628 52.037 -0.001 0.000 0.757 717 A CB -0.377 18.572 19.000 -0.085 0.000 0.996 717 A HN 0.825 nan 8.150 nan 0.000 0.504 718 W N 1.590 122.988 121.300 0.163 0.000 2.825 718 W HA 0.115 4.774 4.660 -0.001 0.000 0.243 718 W C 0.096 176.670 176.519 0.092 0.000 1.293 718 W CA 0.608 58.030 57.345 0.127 0.000 1.403 718 W CB -0.246 29.234 29.460 0.034 0.000 1.134 718 W HN 0.751 nan 8.180 nan 0.000 0.666 719 E N 2.091 122.282 120.200 -0.015 0.000 3.651 719 E HA 0.186 4.535 4.350 -0.001 0.000 0.220 719 E C -0.650 175.914 176.600 -0.060 0.000 1.222 719 E CA -0.155 56.253 56.400 0.012 0.000 1.114 719 E CB 0.284 29.915 29.700 -0.114 0.000 1.278 719 E HN 0.057 nan 8.360 nan 0.000 0.412 720 S N 0.629 116.343 115.700 0.024 0.000 2.667 720 S HA 0.305 4.775 4.470 -0.001 0.000 0.292 720 S C 0.865 175.468 174.600 0.005 0.000 1.126 720 S CA -0.769 57.430 58.200 -0.002 0.000 0.881 720 S CB 1.598 64.828 63.200 0.051 0.000 1.132 720 S HN 0.294 nan 8.310 nan 0.000 0.492 721 Q N 0.756 120.533 119.800 -0.038 0.000 2.119 721 Q HA -0.071 4.268 4.340 -0.001 0.000 0.201 721 Q C 1.637 177.579 176.000 -0.097 0.000 0.972 721 Q CA 1.495 57.267 55.803 -0.052 0.000 0.847 721 Q CB -0.358 28.345 28.738 -0.060 0.000 0.903 721 Q HN 0.876 nan 8.270 nan 0.000 0.433 722 K N -0.915 119.359 120.400 -0.209 0.000 2.374 722 K HA 0.047 4.366 4.320 -0.001 0.000 0.196 722 K C 0.638 176.983 176.600 -0.424 0.000 1.023 722 K CA 0.472 56.556 56.287 -0.338 0.000 1.103 722 K CB 0.463 32.690 32.500 -0.455 0.000 0.848 722 K HN 0.176 nan 8.250 nan 0.000 0.528 723 H N -0.171 118.933 119.070 0.056 0.000 2.923 723 H HA 0.211 4.767 4.556 -0.001 0.000 0.268 723 H C -0.539 174.851 175.328 0.103 0.000 1.148 723 H CA -0.262 55.838 56.048 0.086 0.000 1.146 723 H CB 1.154 30.981 29.762 0.109 0.000 1.607 723 H HN 0.086 nan 8.280 nan 0.000 0.566 724 S N 1.511 117.303 115.700 0.154 0.000 2.478 724 S HA 0.310 4.779 4.470 -0.001 0.000 0.312 724 S C -1.829 172.826 174.600 0.092 0.000 1.094 724 S CA -1.464 56.825 58.200 0.148 0.000 1.081 724 S CB 1.701 64.995 63.200 0.157 0.000 1.007 724 S HN -0.118 nan 8.310 nan 0.000 0.475 725 P HA -0.060 nan 4.420 nan 0.000 0.219 725 P C 1.344 178.658 177.300 0.024 0.000 1.146 725 P CA 0.396 63.524 63.100 0.048 0.000 0.808 725 P CB 0.142 31.872 31.700 0.050 0.000 0.779 726 L N -0.256 121.002 121.223 0.058 0.000 2.127 726 L HA -0.141 4.198 4.340 -0.001 0.000 0.211 726 L C 2.233 179.105 176.870 0.004 0.000 1.089 726 L CA 1.624 56.501 54.840 0.061 0.000 0.757 726 L CB -1.788 40.372 42.059 0.170 0.000 0.899 726 L HN -0.066 nan 8.230 nan 0.000 0.434 727 A N -1.643 121.188 122.820 0.020 0.000 2.178 727 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 727 A C 2.314 179.863 177.584 -0.058 0.000 1.157 727 A CA 1.296 53.331 52.037 -0.003 0.000 0.689 727 A CB -0.599 18.400 19.000 -0.002 0.000 0.787 727 A HN 0.247 nan 8.150 nan 0.000 0.465 728 V N -0.235 119.628 119.914 -0.085 0.000 2.358 728 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 728 V C 2.384 178.379 176.094 -0.165 0.000 1.047 728 V CA 2.334 64.576 62.300 -0.097 0.000 1.035 728 V CB -0.464 31.311 31.823 -0.079 0.000 0.658 728 V HN 0.556 nan 8.190 nan 0.000 0.452 729 K N -1.341 118.861 120.400 -0.331 0.000 2.242 729 K HA 0.068 4.387 4.320 -0.001 0.000 0.200 729 K C -0.168 176.069 176.600 -0.606 0.000 1.050 729 K CA 0.527 56.475 56.287 -0.565 0.000 0.981 729 K CB 0.288 32.198 32.500 -0.984 0.000 0.795 729 K HN 0.446 nan 8.250 nan 0.000 0.477 730 Y N 0.898 121.173 120.300 -0.041 0.000 2.863 730 Y HA 0.220 4.769 4.550 -0.001 0.000 0.348 730 Y C -2.052 173.806 175.900 -0.071 0.000 1.028 730 Y CA -3.207 54.836 58.100 -0.096 0.000 1.213 730 Y CB 0.786 39.184 38.460 -0.103 0.000 1.120 730 Y HN -0.002 nan 8.280 nan 0.000 0.598 731 P HA -0.061 nan 4.420 nan 0.000 0.229 731 P C 0.026 177.325 177.300 -0.002 0.000 1.160 731 P CA 0.857 63.958 63.100 0.000 0.000 0.777 731 P CB 0.925 32.616 31.700 -0.015 0.000 0.814 732 L N 0.285 121.507 121.223 -0.001 0.000 2.305 732 L HA 0.466 4.805 4.340 -0.001 0.000 0.281 732 L C 1.076 177.935 176.870 -0.018 0.000 1.085 732 L CA -0.780 54.051 54.840 -0.016 0.000 0.813 732 L CB 1.042 43.084 42.059 -0.029 0.000 1.157 732 L HN -0.117 nan 8.230 nan 0.000 0.436 733 G N 4.125 112.913 108.800 -0.020 0.000 2.320 733 G HA2 0.497 4.456 3.960 -0.001 0.000 0.300 733 G HA3 0.497 4.456 3.960 -0.001 0.000 0.300 733 G C -0.639 174.246 174.900 -0.025 0.000 1.126 733 G CA -0.445 44.640 45.100 -0.025 0.000 0.896 733 G HN 0.565 nan 8.290 nan 0.000 0.436 734 M N 3.617 123.195 119.600 -0.037 0.000 2.364 734 M HA 0.711 5.191 4.480 -0.001 0.000 0.334 734 M C -0.962 175.311 176.300 -0.045 0.000 1.107 734 M CA -1.039 54.235 55.300 -0.043 0.000 0.988 734 M CB 1.807 34.370 32.600 -0.062 0.000 1.673 734 M HN 0.483 nan 8.290 nan 0.000 0.441 735 L N 2.529 123.722 121.223 -0.049 0.000 2.381 735 L HA 0.849 5.189 4.340 -0.001 0.000 0.268 735 L C -1.029 175.757 176.870 -0.140 0.000 0.997 735 L CA -0.563 54.250 54.840 -0.045 0.000 0.818 735 L CB 2.259 44.332 42.059 0.023 0.000 1.310 735 L HN 0.749 nan 8.230 nan 0.000 0.416 736 S N 1.111 116.760 115.700 -0.084 0.000 2.158 736 S HA 0.582 5.051 4.470 -0.001 0.000 0.160 736 S C -2.684 171.963 174.600 0.078 0.000 1.693 736 S CA -1.093 57.057 58.200 -0.084 0.000 1.251 736 S CB 0.450 63.636 63.200 -0.024 0.000 1.153 736 S HN 0.543 nan 8.310 nan 0.000 0.439 737 P HA 0.227 nan 4.420 nan 0.000 0.286 737 P C -0.130 177.439 177.300 0.448 0.000 1.293 737 P CA -0.494 62.796 63.100 0.318 0.000 0.770 737 P CB 0.277 32.189 31.700 0.355 0.000 1.206 738 H N 0.424 119.526 119.070 0.053 0.000 2.815 738 H HA 0.085 4.640 4.556 -0.001 0.000 0.350 738 H C -1.642 173.410 175.328 -0.461 0.000 1.080 738 H CA -1.625 54.330 56.048 -0.155 0.000 1.433 738 H CB -0.308 29.282 29.762 -0.287 0.000 1.432 738 H HN 0.343 nan 8.280 nan 0.000 0.592 739 P HA -0.074 nan 4.420 nan 0.000 0.264 739 P C 0.521 177.442 177.300 -0.632 0.000 1.193 739 P CA -0.031 62.741 63.100 -0.547 0.000 0.763 739 P CB 1.116 32.800 31.700 -0.026 0.000 0.810 740 R N 3.876 123.857 120.500 -0.864 0.000 2.075 740 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 740 R C 1.068 176.957 176.300 -0.685 0.000 1.126 740 R CA 1.795 57.442 56.100 -0.755 0.000 0.963 740 R CB -1.003 28.753 30.300 -0.905 0.000 0.858 740 R HN 0.435 nan 8.270 nan 0.000 0.435 741 F N -0.161 119.736 119.950 -0.087 0.000 2.750 741 F HA 0.447 4.973 4.527 -0.001 0.000 0.297 741 F C 0.092 175.871 175.800 -0.035 0.000 1.138 741 F CA -0.261 57.691 58.000 -0.079 0.000 1.346 741 F CB 0.524 39.384 39.000 -0.234 0.000 0.965 741 F HN -0.052 nan 8.300 nan 0.000 0.514 742 S N 0.579 116.331 115.700 0.087 0.000 2.547 742 S HA 0.446 4.915 4.470 -0.001 0.000 0.270 742 S C -1.042 173.209 174.600 -0.581 0.000 1.150 742 S CA -0.713 57.415 58.200 -0.120 0.000 0.850 742 S CB 1.268 64.434 63.200 -0.057 0.000 1.118 742 S HN 0.021 nan 8.310 nan 0.000 0.461 743 M N 5.449 124.457 119.600 -0.986 0.000 2.664 743 M HA 0.321 4.800 4.480 -0.001 0.000 0.332 743 M C 0.417 176.469 176.300 -0.414 0.000 1.354 743 M CA 0.849 55.594 55.300 -0.925 0.000 1.399 743 M CB -2.030 30.052 32.600 -0.864 0.000 1.224 743 M HN 0.955 nan 8.290 nan 0.000 0.479 744 H N 0.217 119.101 119.070 -0.310 0.000 1.452 744 H HA -0.264 4.291 4.556 -0.001 0.000 0.090 744 H C 1.190 176.433 175.328 -0.141 0.000 0.648 744 H CA 2.642 58.562 56.048 -0.213 0.000 1.901 744 H CB -1.441 28.207 29.762 -0.190 0.000 2.257 744 H HN 0.596 nan 8.280 nan 0.000 0.961 745 T N 0.245 114.824 114.554 0.042 0.000 3.067 745 T HA 0.170 4.519 4.350 -0.001 0.000 0.261 745 T C 1.357 175.993 174.700 -0.107 0.000 1.110 745 T CA 0.995 63.069 62.100 -0.042 0.000 1.113 745 T CB -0.085 68.747 68.868 -0.061 0.000 0.917 745 T HN 0.259 nan 8.240 nan 0.000 0.499 746 M N 2.143 121.686 119.600 -0.094 0.000 3.011 746 M HA 0.472 4.951 4.480 -0.001 0.000 0.292 746 M C 1.262 177.467 176.300 -0.157 0.000 1.440 746 M CA 0.201 55.416 55.300 -0.142 0.000 1.552 746 M CB 0.224 32.843 32.600 0.032 0.000 1.187 746 M HN 0.557 nan 8.290 nan 0.000 0.520 747 G N 0.713 109.385 108.800 -0.213 0.000 3.819 747 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.210 747 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.210 747 G C -0.286 174.533 174.900 -0.135 0.000 1.018 747 G CA -0.601 44.421 45.100 -0.130 0.000 0.882 747 G HN 0.526 nan 8.290 nan 0.000 0.377 748 D N 0.615 120.982 120.400 -0.054 0.000 2.377 748 D HA 0.503 5.142 4.640 -0.001 0.000 0.245 748 D C 1.433 177.705 176.300 -0.046 0.000 1.196 748 D CA 1.820 55.888 54.000 0.114 0.000 0.962 748 D CB 0.653 41.647 40.800 0.323 0.000 1.127 748 D HN 1.259 nan 8.370 nan 0.000 0.471 749 G N 1.576 110.377 108.800 0.001 0.000 2.581 749 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.291 749 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.291 749 G C 0.211 174.999 174.900 -0.186 0.000 1.277 749 G CA 0.623 45.662 45.100 -0.103 0.000 0.959 749 G HN 0.880 nan 8.290 nan 0.000 0.554 750 K N -0.974 119.310 120.400 -0.194 0.000 3.185 750 K HA -0.361 3.958 4.320 -0.001 0.000 0.298 750 K C 0.749 177.256 176.600 -0.156 0.000 1.178 750 K CA 1.368 57.520 56.287 -0.225 0.000 0.882 750 K CB -1.478 30.688 32.500 -0.557 0.000 1.218 750 K HN 1.845 nan 8.250 nan 0.000 0.454 751 N N -0.116 118.505 118.700 -0.132 0.000 2.754 751 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 751 N C -0.228 175.206 175.510 -0.128 0.000 1.093 751 N CA 1.026 54.014 53.050 -0.103 0.000 0.699 751 N CB -0.706 37.763 38.487 -0.030 0.000 1.016 751 N HN 0.618 nan 8.380 nan 0.000 0.552 752 S N -1.375 114.209 115.700 -0.193 0.000 2.645 752 S HA 0.304 4.773 4.470 -0.001 0.000 0.266 752 S C 1.265 175.834 174.600 -0.052 0.000 1.258 752 S CA -0.417 57.644 58.200 -0.231 0.000 0.990 752 S CB 0.531 63.576 63.200 -0.259 0.000 0.967 752 S HN 0.178 nan 8.310 nan 0.000 0.556 753 Y N 0.206 120.522 120.300 0.026 0.000 2.352 753 Y HA 0.021 4.570 4.550 -0.001 0.000 0.292 753 Y C 2.314 178.251 175.900 0.061 0.000 1.136 753 Y CA 0.492 58.689 58.100 0.163 0.000 1.227 753 Y CB -1.182 37.341 38.460 0.105 0.000 0.991 753 Y HN 0.485 nan 8.280 nan 0.000 0.545 754 M N 0.083 119.731 119.600 0.080 0.000 2.267 754 M HA -0.199 4.280 4.480 -0.001 0.000 0.263 754 M C 1.482 177.723 176.300 -0.099 0.000 1.063 754 M CA 1.144 56.400 55.300 -0.073 0.000 1.090 754 M CB -0.729 31.770 32.600 -0.168 0.000 1.392 754 M HN 0.171 nan 8.290 nan 0.000 0.422 755 N N -0.961 117.663 118.700 -0.127 0.000 2.573 755 N HA -0.114 4.626 4.740 -0.001 0.000 0.187 755 N C 0.716 176.012 175.510 -0.357 0.000 1.107 755 N CA 1.027 53.970 53.050 -0.179 0.000 0.918 755 N CB -0.081 38.173 38.487 -0.387 0.000 0.966 755 N HN 0.526 nan 8.380 nan 0.000 0.448 756 Y N 0.358 120.661 120.300 0.004 0.000 2.457 756 Y HA 0.318 4.867 4.550 -0.001 0.000 0.263 756 Y C 0.853 176.692 175.900 -0.101 0.000 1.164 756 Y CA -0.424 57.652 58.100 -0.040 0.000 1.274 756 Y CB 0.332 38.769 38.460 -0.039 0.000 1.097 756 Y HN -0.118 nan 8.280 nan 0.000 0.523 757 I N 1.506 122.029 120.570 -0.079 0.000 2.533 757 I HA -0.053 4.116 4.170 -0.001 0.000 0.284 757 I C 1.123 177.112 176.117 -0.213 0.000 1.109 757 I CA 0.166 61.301 61.300 -0.276 0.000 1.412 757 I CB 1.192 38.757 38.000 -0.724 0.000 1.396 757 I HN 0.236 nan 8.210 nan 0.000 0.543 758 K N 3.347 123.650 120.400 -0.161 0.000 2.059 758 K HA -0.240 4.079 4.320 -0.001 0.000 0.212 758 K C 1.042 177.602 176.600 -0.066 0.000 1.050 758 K CA 1.806 58.042 56.287 -0.085 0.000 0.927 758 K CB -0.105 32.361 32.500 -0.056 0.000 0.714 758 K HN 0.585 nan 8.250 nan 0.000 0.447 759 D N -0.668 119.692 120.400 -0.066 0.000 2.319 759 D HA -0.049 4.590 4.640 -0.001 0.000 0.230 759 D C 1.230 177.654 176.300 0.206 0.000 1.094 759 D CA 0.333 54.398 54.000 0.108 0.000 0.856 759 D CB 0.258 41.238 40.800 0.301 0.000 0.915 759 D HN 0.238 nan 8.370 nan 0.000 0.517 760 H N -0.570 118.430 119.070 -0.115 0.000 2.368 760 H HA 0.432 4.987 4.556 -0.001 0.000 0.311 760 H C 0.076 175.273 175.328 -0.217 0.000 1.042 760 H CA 0.747 56.740 56.048 -0.093 0.000 1.377 760 H CB 0.534 30.198 29.762 -0.164 0.000 1.473 760 H HN -0.177 nan 8.280 nan 0.000 0.593 761 R N -0.230 120.102 120.500 -0.280 0.000 2.740 761 R HA 0.527 4.866 4.340 -0.001 0.000 0.273 761 R C -1.731 174.512 176.300 -0.094 0.000 0.998 761 R CA -0.996 54.950 56.100 -0.256 0.000 0.900 761 R CB 3.109 33.250 30.300 -0.265 0.000 1.223 761 R HN -0.008 nan 8.270 nan 0.000 0.466 762 V N 1.614 121.522 119.914 -0.011 0.000 2.444 762 V HA 0.242 4.361 4.120 -0.001 0.000 0.294 762 V C -0.260 175.912 176.094 0.131 0.000 1.022 762 V CA -0.757 61.575 62.300 0.053 0.000 0.850 762 V CB 1.551 33.413 31.823 0.064 0.000 0.992 762 V HN 0.711 nan 8.190 nan 0.000 0.426 763 E N 3.639 123.898 120.200 0.098 0.000 2.290 763 E HA 0.495 4.845 4.350 -0.001 0.000 0.277 763 E C -1.308 175.410 176.600 0.196 0.000 1.035 763 E CA -0.183 56.296 56.400 0.132 0.000 0.873 763 E CB 1.240 30.993 29.700 0.088 0.000 1.029 763 E HN 0.503 nan 8.360 nan 0.000 0.419 764 V N 5.549 125.650 119.914 0.313 0.000 2.509 764 V HA 0.125 4.244 4.120 -0.001 0.000 0.289 764 V C -0.986 175.300 176.094 0.321 0.000 1.026 764 V CA -0.810 61.660 62.300 0.283 0.000 0.872 764 V CB 1.635 33.605 31.823 0.245 0.000 1.017 764 V HN 0.932 nan 8.190 nan 0.000 0.436 765 D N 4.189 124.712 120.400 0.204 0.000 2.718 765 D HA -0.178 4.461 4.640 -0.001 0.000 0.242 765 D C 1.298 177.715 176.300 0.195 0.000 1.123 765 D CA 1.677 55.784 54.000 0.179 0.000 0.690 765 D CB -1.064 39.845 40.800 0.182 0.000 1.059 765 D HN 1.446 nan 8.370 nan 0.000 0.429 766 G N -0.588 108.311 108.800 0.166 0.000 2.267 766 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.257 766 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.257 766 G C 0.027 175.021 174.900 0.157 0.000 0.998 766 G CA 0.560 45.747 45.100 0.145 0.000 0.620 766 G HN 0.548 nan 8.290 nan 0.000 0.529 767 Y N 1.760 122.081 120.300 0.036 0.000 2.352 767 Y HA 0.612 5.161 4.550 -0.002 0.000 0.339 767 Y C 0.290 176.079 175.900 -0.185 0.000 0.992 767 Y CA -1.023 56.995 58.100 -0.136 0.000 1.100 767 Y CB 1.147 39.427 38.460 -0.299 0.000 1.192 767 Y HN 0.044 nan 8.280 nan 0.000 0.458 768 K N 6.606 126.645 120.400 -0.601 0.000 2.273 768 K HA 0.180 4.499 4.320 -0.001 0.000 0.287 768 K C -1.473 174.908 176.600 -0.365 0.000 1.089 768 K CA -0.209 55.869 56.287 -0.349 0.000 0.909 768 K CB 0.375 32.676 32.500 -0.332 0.000 1.123 768 K HN 0.523 nan 8.250 nan 0.000 0.473 769 Y N 1.280 121.601 120.300 0.035 0.000 2.307 769 Y HA 0.095 4.644 4.550 -0.001 0.000 0.324 769 Y C 0.676 176.637 175.900 0.101 0.000 1.238 769 Y CA -0.714 57.467 58.100 0.135 0.000 1.280 769 Y CB 0.620 39.175 38.460 0.159 0.000 1.248 769 Y HN 0.536 nan 8.280 nan 0.000 0.508 770 W N 4.098 125.453 121.300 0.092 0.000 2.150 770 W HA 0.331 4.990 4.660 -0.001 0.000 0.341 770 W C -0.977 175.560 176.519 0.030 0.000 1.276 770 W CA -0.474 56.868 57.345 -0.005 0.000 1.238 770 W CB 0.517 29.974 29.460 -0.005 0.000 1.128 770 W HN 0.411 nan 8.180 nan 0.000 0.581 771 I N 5.763 126.128 120.570 -0.341 0.000 2.437 771 I HA 0.293 4.462 4.170 -0.001 0.000 0.298 771 I C 0.192 176.238 176.117 -0.118 0.000 0.984 771 I CA -0.728 60.455 61.300 -0.195 0.000 1.214 771 I CB 1.716 39.571 38.000 -0.242 0.000 1.365 771 I HN 0.246 nan 8.210 nan 0.000 0.469 772 M N 6.148 125.726 119.600 -0.036 0.000 2.197 772 M HA 0.471 4.950 4.480 -0.001 0.000 0.301 772 M C -1.215 175.056 176.300 -0.047 0.000 0.987 772 M CA -0.508 54.781 55.300 -0.019 0.000 0.921 772 M CB 1.311 33.921 32.600 0.016 0.000 1.569 772 M HN 0.492 nan 8.290 nan 0.000 0.431 773 R N 3.276 123.731 120.500 -0.075 0.000 2.298 773 R HA 0.599 4.938 4.340 -0.001 0.000 0.310 773 R C -1.130 175.133 176.300 -0.063 0.000 1.068 773 R CA -0.488 55.548 56.100 -0.106 0.000 0.957 773 R CB 1.072 31.223 30.300 -0.248 0.000 1.003 773 R HN 0.503 nan 8.270 nan 0.000 0.454 774 V N 2.847 122.736 119.914 -0.041 0.000 2.735 774 V HA 0.199 4.318 4.120 -0.001 0.000 0.310 774 V C -0.053 176.038 176.094 -0.006 0.000 1.061 774 V CA -1.154 61.136 62.300 -0.017 0.000 0.913 774 V CB 1.938 33.757 31.823 -0.007 0.000 1.005 774 V HN 0.749 nan 8.190 nan 0.000 0.428 775 N N 2.129 120.834 118.700 0.009 0.000 2.497 775 N HA 0.012 4.751 4.740 -0.001 0.000 0.271 775 N C 1.519 177.038 175.510 0.016 0.000 1.142 775 N CA 0.621 53.684 53.050 0.022 0.000 0.965 775 N CB 1.736 40.244 38.487 0.036 0.000 1.077 775 N HN 0.872 nan 8.380 nan 0.000 0.462 776 S N 4.598 120.308 115.700 0.017 0.000 2.389 776 S HA -0.233 4.236 4.470 -0.001 0.000 0.231 776 S C 1.945 176.553 174.600 0.013 0.000 1.052 776 S CA 1.143 59.351 58.200 0.014 0.000 1.053 776 S CB -0.522 62.687 63.200 0.015 0.000 0.886 776 S HN 0.699 nan 8.310 nan 0.000 0.456 777 I N 2.140 122.719 120.570 0.014 0.000 2.315 777 I HA -0.139 4.030 4.170 -0.001 0.000 0.248 777 I C 2.021 178.144 176.117 0.010 0.000 1.117 777 I CA 1.525 62.832 61.300 0.011 0.000 1.404 777 I CB -0.460 37.545 38.000 0.009 0.000 1.071 777 I HN 0.293 nan 8.210 nan 0.000 0.419 778 D N 0.987 121.393 120.400 0.010 0.000 2.194 778 D HA -0.027 4.613 4.640 -0.001 0.000 0.204 778 D C 2.236 178.544 176.300 0.013 0.000 0.964 778 D CA 1.193 55.199 54.000 0.010 0.000 0.846 778 D CB 0.102 40.906 40.800 0.007 0.000 0.962 778 D HN 0.309 nan 8.370 nan 0.000 0.490 779 A N 1.355 124.182 122.820 0.013 0.000 1.872 779 A HA -0.158 4.161 4.320 -0.001 0.000 0.214 779 A C 2.131 179.725 177.584 0.017 0.000 1.187 779 A CA 1.185 53.231 52.037 0.016 0.000 0.614 779 A CB -0.360 18.647 19.000 0.012 0.000 0.826 779 A HN 0.041 nan 8.150 nan 0.000 0.442 780 E N 0.765 120.974 120.200 0.014 0.000 2.058 780 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 780 E C 2.093 178.703 176.600 0.016 0.000 0.997 780 E CA 1.485 57.894 56.400 0.014 0.000 0.801 780 E CB -0.403 29.304 29.700 0.011 0.000 0.746 780 E HN 0.434 nan 8.360 nan 0.000 0.450 781 A N 0.873 123.702 122.820 0.015 0.000 2.125 781 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 781 A C 2.035 179.633 177.584 0.023 0.000 1.156 781 A CA 1.259 53.305 52.037 0.016 0.000 0.671 781 A CB -0.310 18.698 19.000 0.013 0.000 0.794 781 A HN 0.196 nan 8.150 nan 0.000 0.459 782 R N -1.988 118.528 120.500 0.027 0.000 2.437 782 R HA 0.281 4.620 4.340 -0.001 0.000 0.257 782 R C 1.069 177.391 176.300 0.037 0.000 0.927 782 R CA 0.443 56.565 56.100 0.037 0.000 1.078 782 R CB 0.279 30.605 30.300 0.043 0.000 1.161 782 R HN 0.578 nan 8.270 nan 0.000 0.529 783 G N 1.856 110.673 108.800 0.029 0.000 2.160 783 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.251 783 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.251 783 G C 0.128 175.045 174.900 0.028 0.000 1.008 783 G CA 0.020 45.136 45.100 0.026 0.000 0.724 783 G HN 0.249 nan 8.290 nan 0.000 0.514 784 I N 0.174 120.762 120.570 0.029 0.000 2.365 784 I HA 0.416 4.585 4.170 -0.001 0.000 0.291 784 I C 0.632 176.760 176.117 0.020 0.000 1.004 784 I CA -0.290 61.027 61.300 0.028 0.000 1.311 784 I CB 1.268 39.286 38.000 0.030 0.000 1.401 784 I HN -0.009 nan 8.210 nan 0.000 0.491 785 K N 4.055 124.466 120.400 0.018 0.000 2.295 785 K HA 0.335 4.654 4.320 -0.001 0.000 0.239 785 K C -0.485 176.121 176.600 0.010 0.000 0.991 785 K CA -0.963 55.331 56.287 0.012 0.000 0.845 785 K CB 1.498 34.005 32.500 0.012 0.000 1.197 785 K HN 0.481 nan 8.250 nan 0.000 0.441 786 N N 0.042 118.746 118.700 0.006 0.000 2.412 786 N HA -0.023 4.716 4.740 -0.001 0.000 0.258 786 N C 0.664 176.177 175.510 0.006 0.000 1.236 786 N CA 1.171 54.223 53.050 0.003 0.000 0.882 786 N CB 0.262 38.750 38.487 0.001 0.000 1.066 786 N HN 0.782 nan 8.380 nan 0.000 0.465 787 G N 2.046 110.849 108.800 0.005 0.000 2.199 787 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.254 787 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.254 787 G C -0.244 174.658 174.900 0.003 0.000 0.982 787 G CA -0.102 45.004 45.100 0.009 0.000 0.632 787 G HN 0.624 nan 8.290 nan 0.000 0.529 788 D N 0.499 120.902 120.400 0.005 0.000 2.372 788 D HA 0.413 5.052 4.640 -0.001 0.000 0.243 788 D C 1.101 177.396 176.300 -0.009 0.000 1.121 788 D CA -0.018 53.987 54.000 0.008 0.000 0.898 788 D CB 0.753 41.567 40.800 0.023 0.000 1.202 788 D HN 0.283 nan 8.370 nan 0.000 0.428 789 L N 3.046 124.265 121.223 -0.007 0.000 2.313 789 L HA 0.345 4.685 4.340 -0.001 0.000 0.282 789 L C 0.567 177.486 176.870 0.082 0.000 1.092 789 L CA -0.393 54.426 54.840 -0.035 0.000 0.831 789 L CB 0.180 42.243 42.059 0.006 0.000 1.159 789 L HN 0.239 nan 8.230 nan 0.000 0.442 790 I N 0.951 121.542 120.570 0.034 0.000 2.957 790 I HA 0.624 4.793 4.170 -0.001 0.000 0.310 790 I C -0.579 175.556 176.117 0.030 0.000 1.063 790 I CA -1.056 60.292 61.300 0.079 0.000 1.033 790 I CB 2.188 40.219 38.000 0.053 0.000 1.230 790 I HN 0.596 nan 8.210 nan 0.000 0.447 791 R N 3.260 123.807 120.500 0.080 0.000 2.360 791 R HA 0.737 5.077 4.340 -0.001 0.000 0.318 791 R C -1.225 175.138 176.300 0.105 0.000 0.950 791 R CA -0.482 55.629 56.100 0.018 0.000 0.837 791 R CB 1.616 31.937 30.300 0.036 0.000 1.165 791 R HN 0.949 nan 8.270 nan 0.000 0.458 792 A N 4.862 127.700 122.820 0.030 0.000 2.274 792 A HA 0.530 4.849 4.320 -0.001 0.000 0.309 792 A C -1.340 176.252 177.584 0.013 0.000 1.226 792 A CA -0.496 51.535 52.037 -0.010 0.000 0.853 792 A CB 0.330 19.299 19.000 -0.051 0.000 1.146 792 A HN 0.808 nan 8.150 nan 0.000 0.518 793 Y N 0.872 121.073 120.300 -0.165 0.000 2.656 793 Y HA 0.749 5.298 4.550 -0.001 0.000 0.334 793 Y C -0.680 174.965 175.900 -0.425 0.000 1.179 793 Y CA -1.065 56.895 58.100 -0.233 0.000 1.050 793 Y CB 1.105 39.465 38.460 -0.168 0.000 1.308 793 Y HN 0.806 nan 8.280 nan 0.000 0.456 794 N N -1.668 116.795 118.700 -0.396 0.000 3.517 794 N HA 0.190 4.929 4.740 -0.001 0.000 0.329 794 N C -0.759 174.609 175.510 -0.237 0.000 1.569 794 N CA -0.367 52.049 53.050 -1.056 0.000 0.852 794 N CB 0.055 37.876 38.487 -1.111 0.000 1.955 794 N HN 0.563 nan 8.380 nan 0.000 0.555 795 D N -0.543 119.807 120.400 -0.083 0.000 2.350 795 D HA -0.006 4.633 4.640 -0.001 0.000 0.216 795 D C 0.959 177.341 176.300 0.135 0.000 0.968 795 D CA 0.770 54.881 54.000 0.185 0.000 0.894 795 D CB 0.102 41.034 40.800 0.220 0.000 0.909 795 D HN 0.411 nan 8.370 nan 0.000 0.520 796 R N -0.202 120.272 120.500 -0.044 0.000 2.189 796 R HA 0.314 4.653 4.340 -0.001 0.000 0.203 796 R C 1.298 177.337 176.300 -0.434 0.000 1.012 796 R CA 0.545 56.569 56.100 -0.127 0.000 1.015 796 R CB 0.724 30.947 30.300 -0.128 0.000 0.938 796 R HN 0.080 nan 8.270 nan 0.000 0.472 797 G N -1.172 107.184 108.800 -0.740 0.000 2.323 797 G HA2 0.236 4.195 3.960 -0.001 0.000 0.291 797 G HA3 0.236 4.195 3.960 -0.001 0.000 0.291 797 G C -1.439 173.016 174.900 -0.741 0.000 1.278 797 G CA -0.717 43.493 45.100 -1.482 0.000 0.860 797 G HN -0.025 nan 8.290 nan 0.000 0.504 798 S N -1.384 114.040 115.700 -0.460 0.000 2.541 798 S HA 0.774 5.244 4.470 -0.001 0.000 0.280 798 S C -0.836 173.691 174.600 -0.123 0.000 1.112 798 S CA -0.523 57.597 58.200 -0.133 0.000 0.925 798 S CB 1.972 65.166 63.200 -0.011 0.000 1.067 798 S HN 1.047 nan 8.310 nan 0.000 0.479 799 V N 3.330 123.176 119.914 -0.114 0.000 2.638 799 V HA 0.499 4.618 4.120 -0.001 0.000 0.306 799 V C -1.078 174.929 176.094 -0.146 0.000 1.052 799 V CA -0.678 61.554 62.300 -0.114 0.000 0.885 799 V CB 1.730 33.500 31.823 -0.089 0.000 0.999 799 V HN 0.739 nan 8.190 nan 0.000 0.424 800 I N 5.818 126.267 120.570 -0.203 0.000 2.325 800 I HA 0.541 4.710 4.170 -0.001 0.000 0.291 800 I C -0.126 175.963 176.117 -0.047 0.000 1.019 800 I CA 0.245 61.363 61.300 -0.304 0.000 1.302 800 I CB 0.871 38.492 38.000 -0.631 0.000 1.401 800 I HN 0.437 nan 8.210 nan 0.000 0.485 801 L N 5.173 126.370 121.223 -0.043 0.000 2.359 801 L HA 0.855 5.194 4.340 -0.001 0.000 0.256 801 L C -0.321 176.544 176.870 -0.008 0.000 1.026 801 L CA -1.119 53.768 54.840 0.078 0.000 0.828 801 L CB 1.732 43.855 42.059 0.106 0.000 1.406 801 L HN 0.519 nan 8.230 nan 0.000 0.413 802 A N 0.813 123.660 122.820 0.045 0.000 2.290 802 A HA 0.818 5.137 4.320 -0.001 0.000 0.310 802 A C -0.098 177.487 177.584 0.002 0.000 1.202 802 A CA -0.350 51.683 52.037 -0.006 0.000 0.837 802 A CB 0.989 20.017 19.000 0.046 0.000 1.139 802 A HN 0.740 nan 8.150 nan 0.000 0.509 803 A N 1.977 124.794 122.820 -0.005 0.000 2.354 803 A HA 0.563 4.882 4.320 -0.001 0.000 0.269 803 A C 0.106 177.683 177.584 -0.012 0.000 1.109 803 A CA -0.267 51.767 52.037 -0.005 0.000 0.800 803 A CB 0.325 19.327 19.000 0.003 0.000 1.045 803 A HN 0.850 nan 8.150 nan 0.000 0.489 804 Q N 2.710 122.496 119.800 -0.023 0.000 2.464 804 Q HA 0.458 4.797 4.340 -0.001 0.000 0.256 804 Q C -1.528 174.454 176.000 -0.030 0.000 1.020 804 Q CA -0.437 55.349 55.803 -0.029 0.000 0.716 804 Q CB 1.221 29.930 28.738 -0.048 0.000 1.230 804 Q HN 0.567 nan 8.270 nan 0.000 0.494 805 V N 3.324 123.228 119.914 -0.017 0.000 2.521 805 V HA 0.300 4.419 4.120 -0.001 0.000 0.286 805 V C 0.424 176.510 176.094 -0.015 0.000 1.034 805 V CA 0.422 62.715 62.300 -0.011 0.000 1.045 805 V CB 1.071 32.892 31.823 -0.002 0.000 0.974 805 V HN 0.801 nan 8.190 nan 0.000 0.480 806 T N 2.813 117.359 114.554 -0.013 0.000 2.754 806 T HA 0.389 4.738 4.350 -0.001 0.000 0.296 806 T C 0.108 174.815 174.700 0.012 0.000 1.205 806 T CA -0.497 61.596 62.100 -0.013 0.000 1.009 806 T CB 2.144 70.990 68.868 -0.037 0.000 1.368 806 T HN 0.604 nan 8.240 nan 0.000 0.509 807 E N 0.325 120.537 120.200 0.019 0.000 2.489 807 E HA 0.188 4.538 4.350 -0.001 0.000 0.204 807 E C 0.994 177.672 176.600 0.129 0.000 1.006 807 E CA 0.164 56.606 56.400 0.069 0.000 0.936 807 E CB 0.035 29.772 29.700 0.060 0.000 1.002 807 E HN 0.592 nan 8.360 nan 0.000 0.488 808 C N 1.710 121.029 119.300 0.032 0.000 2.340 808 C HA 0.284 4.743 4.460 -0.001 0.000 0.375 808 C C 0.643 175.788 174.990 0.258 0.000 1.306 808 C CA -0.007 58.978 59.018 -0.054 0.000 1.622 808 C CB -1.981 25.641 27.740 -0.196 0.000 1.719 808 C HN 0.130 nan 8.230 nan 0.000 0.592 809 L N 0.156 121.602 121.223 0.371 0.000 2.565 809 L HA 0.299 4.638 4.340 -0.001 0.000 0.261 809 L C -0.298 176.706 176.870 0.225 0.000 0.932 809 L CA -0.357 54.675 54.840 0.320 0.000 0.878 809 L CB 1.436 43.578 42.059 0.138 0.000 1.333 809 L HN 0.144 nan 8.230 nan 0.000 0.409 810 Q N 3.646 123.528 119.800 0.138 0.000 2.364 810 Q HA 0.237 4.576 4.340 -0.001 0.000 0.267 810 Q C -2.285 173.732 176.000 0.028 0.000 0.999 810 Q CA -1.259 54.558 55.803 0.025 0.000 0.886 810 Q CB 1.064 29.770 28.738 -0.054 0.000 1.243 810 Q HN 0.226 nan 8.270 nan 0.000 0.415 811 P HA -0.021 nan 4.420 nan 0.000 0.264 811 P C 0.049 177.346 177.300 -0.005 0.000 1.183 811 P CA 1.475 64.580 63.100 0.008 0.000 0.763 811 P CB 0.517 32.217 31.700 -0.000 0.000 0.807 812 G N 1.382 110.181 108.800 -0.002 0.000 2.218 812 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.216 812 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.216 812 G C 0.133 175.029 174.900 -0.007 0.000 0.994 812 G CA -0.121 44.973 45.100 -0.011 0.000 0.637 812 G HN 0.599 nan 8.290 nan 0.000 0.505 813 T N 0.910 115.468 114.554 0.008 0.000 2.829 813 T HA 0.692 5.041 4.350 -0.001 0.000 0.280 813 T C 0.031 174.744 174.700 0.022 0.000 0.999 813 T CA 0.133 62.244 62.100 0.018 0.000 0.983 813 T CB 2.495 71.388 68.868 0.042 0.000 0.968 813 T HN 1.378 nan 8.240 nan 0.000 0.446 814 V N 0.404 120.325 119.914 0.011 0.000 2.914 814 V HA 0.741 4.860 4.120 -0.001 0.000 0.314 814 V C -0.976 175.129 176.094 0.019 0.000 1.084 814 V CA -0.884 61.418 62.300 0.003 0.000 0.963 814 V CB 2.156 33.968 31.823 -0.017 0.000 1.025 814 V HN 0.977 nan 8.190 nan 0.000 0.432 815 H N 1.877 120.854 119.070 -0.154 0.000 2.679 815 H HA 0.763 5.318 4.556 -0.001 0.000 0.360 815 H C -1.592 173.592 175.328 -0.240 0.000 1.105 815 H CA 0.021 55.933 56.048 -0.226 0.000 1.196 815 H CB 2.204 31.714 29.762 -0.420 0.000 1.636 815 H HN 0.984 nan 8.280 nan 0.000 0.531 816 S N 5.018 120.422 115.700 -0.492 0.000 2.649 816 S HA 0.311 4.781 4.470 -0.001 0.000 0.274 816 S C -1.322 173.181 174.600 -0.163 0.000 1.176 816 S CA -0.526 57.546 58.200 -0.213 0.000 0.988 816 S CB 0.410 63.645 63.200 0.059 0.000 1.071 816 S HN 0.543 nan 8.310 nan 0.000 0.478 817 Y N 2.652 123.010 120.300 0.097 0.000 2.550 817 Y HA 0.170 4.719 4.550 -0.001 0.000 0.343 817 Y C 1.310 177.474 175.900 0.441 0.000 1.245 817 Y CA 0.090 58.336 58.100 0.244 0.000 1.462 817 Y CB 0.595 39.237 38.460 0.303 0.000 1.340 817 Y HN 0.787 nan 8.280 nan 0.000 0.604 818 E N -1.198 119.261 120.200 0.432 0.000 2.601 818 E HA 0.506 4.855 4.350 -0.001 0.000 0.250 818 E C -0.297 176.380 176.600 0.128 0.000 1.099 818 E CA -0.443 56.060 56.400 0.171 0.000 0.968 818 E CB 0.958 30.704 29.700 0.077 0.000 1.290 818 E HN 0.468 nan 8.360 nan 0.000 0.505 819 S N -2.092 113.588 115.700 -0.035 0.000 3.593 819 S HA -0.217 4.252 4.470 -0.001 0.000 0.301 819 S C 0.108 174.617 174.600 -0.153 0.000 1.209 819 S CA 0.440 58.616 58.200 -0.040 0.000 0.878 819 S CB -2.549 60.714 63.200 0.105 0.000 1.000 819 S HN 0.776 nan 8.310 nan 0.000 0.578 820 C N 1.781 120.820 119.300 -0.436 0.000 2.611 820 C HA 0.500 4.960 4.460 -0.001 0.000 0.416 820 C C 1.902 176.715 174.990 -0.296 0.000 1.366 820 C CA 0.459 59.086 59.018 -0.651 0.000 1.761 820 C CB -0.179 26.981 27.740 -0.966 0.000 2.619 820 C HN 0.806 nan 8.230 nan 0.000 0.606 821 A N 4.621 127.328 122.820 -0.189 0.000 2.081 821 A HA 0.263 4.583 4.320 -0.001 0.000 0.214 821 A C 0.668 178.183 177.584 -0.115 0.000 1.158 821 A CA 0.521 52.478 52.037 -0.133 0.000 0.724 821 A CB -0.097 18.829 19.000 -0.123 0.000 0.826 821 A HN 0.800 nan 8.150 nan 0.000 0.463 822 V N 0.733 120.576 119.914 -0.118 0.000 2.364 822 V HA 0.243 4.362 4.120 -0.001 0.000 0.272 822 V C -0.691 175.394 176.094 -0.016 0.000 1.036 822 V CA -0.460 61.798 62.300 -0.071 0.000 0.880 822 V CB 0.412 32.194 31.823 -0.067 0.000 0.991 822 V HN 0.388 nan 8.190 nan 0.000 0.460 823 Y N 4.447 124.677 120.300 -0.117 0.000 2.369 823 Y HA 0.628 5.177 4.550 -0.001 0.000 0.337 823 Y C -0.444 175.421 175.900 -0.060 0.000 0.961 823 Y CA -1.452 56.596 58.100 -0.087 0.000 1.186 823 Y CB 1.377 39.802 38.460 -0.058 0.000 1.139 823 Y HN 0.728 nan 8.280 nan 0.000 0.494 824 D N 8.924 129.003 120.400 -0.535 0.000 2.363 824 D HA 0.372 5.012 4.640 -0.001 0.000 0.258 824 D C -3.165 172.853 176.300 -0.469 0.000 1.259 824 D CA -2.156 51.577 54.000 -0.445 0.000 0.921 824 D CB 1.466 42.174 40.800 -0.153 0.000 1.201 824 D HN 0.206 nan 8.370 nan 0.000 0.524 825 P HA 0.156 nan 4.420 nan 0.000 0.271 825 P C 0.901 178.115 177.300 -0.143 0.000 1.216 825 P CA -0.327 62.585 63.100 -0.312 0.000 0.776 825 P CB 1.083 32.642 31.700 -0.234 0.000 0.881 826 L N 0.777 121.971 121.223 -0.050 0.000 2.341 826 L HA 0.165 4.505 4.340 -0.001 0.000 0.214 826 L C 1.456 178.348 176.870 0.036 0.000 1.115 826 L CA 0.932 55.778 54.840 0.011 0.000 0.820 826 L CB -0.496 41.616 42.059 0.089 0.000 0.944 826 L HN 0.543 nan 8.230 nan 0.000 0.452 827 G N -1.109 107.719 108.800 0.047 0.000 3.259 827 G HA2 0.259 4.218 3.960 -0.001 0.000 0.178 827 G HA3 0.259 4.218 3.960 -0.001 0.000 0.178 827 G C -0.693 174.243 174.900 0.059 0.000 1.129 827 G CA -0.228 44.906 45.100 0.056 0.000 0.816 827 G HN -0.149 nan 8.290 nan 0.000 0.634 828 T N 1.444 116.046 114.554 0.080 0.000 2.946 828 T HA 0.430 4.779 4.350 -0.001 0.000 0.311 828 T C 0.780 175.569 174.700 0.149 0.000 1.063 828 T CA 0.544 62.703 62.100 0.098 0.000 1.139 828 T CB 0.792 69.721 68.868 0.101 0.000 0.994 828 T HN 0.876 nan 8.240 nan 0.000 0.547 829 A N 2.324 125.254 122.820 0.182 0.000 2.520 829 A HA 0.495 4.814 4.320 -0.001 0.000 0.245 829 A C 1.677 179.465 177.584 0.340 0.000 1.072 829 A CA 0.153 52.385 52.037 0.325 0.000 0.761 829 A CB -0.847 18.402 19.000 0.415 0.000 1.004 829 A HN 1.608 nan 8.150 nan 0.000 0.499 830 G N 1.911 110.939 108.800 0.381 0.000 2.212 830 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.266 830 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.266 830 G C 0.714 175.747 174.900 0.222 0.000 0.978 830 G CA 1.048 46.296 45.100 0.247 0.000 0.632 830 G HN 0.824 nan 8.290 nan 0.000 0.537 831 K N -0.146 120.400 120.400 0.242 0.000 2.438 831 K HA 0.347 4.666 4.320 -0.001 0.000 0.206 831 K C 0.749 177.538 176.600 0.316 0.000 1.081 831 K CA 0.688 57.128 56.287 0.255 0.000 1.053 831 K CB 1.020 33.622 32.500 0.169 0.000 0.908 831 K HN 0.561 nan 8.250 nan 0.000 0.556 832 S N -0.354 115.530 115.700 0.307 0.000 2.667 832 S HA 0.711 5.180 4.470 -0.001 0.000 0.292 832 S C -0.381 174.383 174.600 0.274 0.000 1.126 832 S CA -1.084 57.300 58.200 0.307 0.000 0.881 832 S CB 1.745 65.056 63.200 0.186 0.000 1.132 832 S HN 0.086 nan 8.310 nan 0.000 0.492 833 A N 0.731 123.714 122.820 0.271 0.000 2.498 833 A HA 0.430 4.749 4.320 -0.001 0.000 0.239 833 A C -0.010 177.593 177.584 0.032 0.000 1.068 833 A CA 0.150 52.273 52.037 0.143 0.000 0.766 833 A CB -0.596 18.498 19.000 0.158 0.000 1.003 833 A HN 0.881 nan 8.150 nan 0.000 0.497 834 D N -0.184 120.203 120.400 -0.022 0.000 2.181 834 D HA 0.473 5.113 4.640 -0.001 0.000 0.248 834 D C 0.954 177.188 176.300 -0.111 0.000 1.020 834 D CA -0.552 53.409 54.000 -0.066 0.000 0.891 834 D CB 0.887 41.700 40.800 0.022 0.000 1.187 834 D HN 0.523 nan 8.370 nan 0.000 0.443 835 R N 1.737 122.162 120.500 -0.125 0.000 2.509 835 R HA 0.303 4.642 4.340 -0.001 0.000 0.297 835 R C 1.354 177.679 176.300 0.042 0.000 0.951 835 R CA -0.134 55.919 56.100 -0.079 0.000 1.103 835 R CB 0.187 30.376 30.300 -0.186 0.000 1.283 835 R HN 0.396 nan 8.270 nan 0.000 0.534 836 G N 1.048 109.843 108.800 -0.009 0.000 2.408 836 G HA2 0.097 4.057 3.960 -0.001 0.000 0.217 836 G HA3 0.097 4.057 3.960 -0.001 0.000 0.217 836 G C 1.073 175.949 174.900 -0.040 0.000 1.150 836 G CA 0.847 45.958 45.100 0.017 0.000 0.776 836 G HN 0.614 nan 8.290 nan 0.000 0.542 837 G N -2.231 106.505 108.800 -0.107 0.000 2.147 837 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.128 837 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.128 837 G C 0.168 174.727 174.900 -0.568 0.000 1.026 837 G CA -0.158 44.775 45.100 -0.278 0.000 0.693 837 G HN 0.502 nan 8.290 nan 0.000 0.499 838 C N 2.138 121.251 119.300 -0.311 0.000 2.645 838 C HA 0.246 4.705 4.460 -0.001 0.000 0.451 838 C C 2.258 177.114 174.990 -0.224 0.000 1.018 838 C CA -0.479 58.368 59.018 -0.285 0.000 1.180 838 C CB -1.774 25.888 27.740 -0.129 0.000 1.563 838 C HN 0.494 nan 8.230 nan 0.000 0.551 839 I N 2.848 123.263 120.570 -0.258 0.000 2.399 839 I HA -0.153 4.017 4.170 -0.001 0.000 0.254 839 I C 2.033 178.076 176.117 -0.124 0.000 1.146 839 I CA 1.512 62.728 61.300 -0.139 0.000 1.412 839 I CB -0.497 37.469 38.000 -0.056 0.000 1.076 839 I HN 0.606 nan 8.210 nan 0.000 0.432 840 N N 0.575 119.190 118.700 -0.142 0.000 2.571 840 N HA -0.032 4.707 4.740 -0.001 0.000 0.189 840 N C 1.747 177.180 175.510 -0.127 0.000 1.154 840 N CA 0.448 53.422 53.050 -0.127 0.000 0.907 840 N CB -0.059 38.341 38.487 -0.145 0.000 0.977 840 N HN 0.420 nan 8.380 nan 0.000 0.449 841 I N 0.136 120.624 120.570 -0.136 0.000 2.493 841 I HA -0.181 3.988 4.170 -0.001 0.000 0.254 841 I C 1.429 177.457 176.117 -0.149 0.000 1.160 841 I CA 0.836 62.053 61.300 -0.139 0.000 1.445 841 I CB 0.122 38.037 38.000 -0.142 0.000 1.086 841 I HN 0.086 nan 8.210 nan 0.000 0.433 842 L N -0.171 120.967 121.223 -0.141 0.000 2.567 842 L HA 0.076 4.415 4.340 -0.001 0.000 0.225 842 L C 1.088 177.896 176.870 -0.103 0.000 1.119 842 L CA -0.078 54.675 54.840 -0.145 0.000 0.871 842 L CB -0.629 41.337 42.059 -0.156 0.000 1.036 842 L HN 0.254 nan 8.230 nan 0.000 0.459 843 T N -1.366 113.142 114.554 -0.076 0.000 2.913 843 T HA 0.277 4.626 4.350 -0.001 0.000 0.297 843 T C -2.423 172.276 174.700 -0.002 0.000 1.029 843 T CA -1.861 60.217 62.100 -0.038 0.000 1.104 843 T CB 0.881 69.728 68.868 -0.034 0.000 0.964 843 T HN -0.118 nan 8.240 nan 0.000 0.532 844 P HA 0.152 nan 4.420 nan 0.000 0.268 844 P C -0.137 177.230 177.300 0.111 0.000 1.204 844 P CA -0.117 63.065 63.100 0.136 0.000 0.768 844 P CB 0.673 32.569 31.700 0.327 0.000 0.842 845 D N 2.033 122.455 120.400 0.037 0.000 2.349 845 D HA -0.003 4.636 4.640 -0.001 0.000 0.214 845 D C 0.803 177.044 176.300 -0.099 0.000 1.063 845 D CA -0.033 53.944 54.000 -0.038 0.000 0.847 845 D CB -0.241 40.498 40.800 -0.101 0.000 0.933 845 D HN 0.318 nan 8.370 nan 0.000 0.513 846 R N 0.607 121.069 120.500 -0.065 0.000 2.489 846 R HA 0.042 4.381 4.340 -0.001 0.000 0.287 846 R C -0.375 175.920 176.300 -0.009 0.000 1.053 846 R CA -0.349 55.617 56.100 -0.223 0.000 1.036 846 R CB 0.139 30.073 30.300 -0.610 0.000 0.966 846 R HN 0.033 nan 8.270 nan 0.000 0.432 847 Y N 3.679 123.932 120.300 -0.077 0.000 2.652 847 Y HA -0.152 4.397 4.550 -0.001 0.000 0.344 847 Y C 1.978 177.945 175.900 0.111 0.000 1.254 847 Y CA -0.427 57.660 58.100 -0.020 0.000 1.480 847 Y CB 0.531 38.935 38.460 -0.094 0.000 1.345 847 Y HN 0.594 nan 8.280 nan 0.000 0.617 848 I N 0.805 121.578 120.570 0.339 0.000 2.248 848 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 848 I C 0.979 177.354 176.117 0.430 0.000 1.107 848 I CA 1.649 63.202 61.300 0.422 0.000 1.373 848 I CB -0.386 37.730 38.000 0.192 0.000 1.055 848 I HN 0.546 nan 8.210 nan 0.000 0.418 849 S N -1.466 114.342 115.700 0.179 0.000 2.671 849 S HA 0.285 4.754 4.470 -0.001 0.000 0.277 849 S C 0.434 175.036 174.600 0.003 0.000 1.165 849 S CA -0.900 57.384 58.200 0.141 0.000 0.822 849 S CB 2.066 65.402 63.200 0.227 0.000 1.150 849 S HN 0.056 nan 8.310 nan 0.000 0.479 850 K N -0.420 119.954 120.400 -0.042 0.000 2.074 850 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 850 K C 0.831 177.199 176.600 -0.386 0.000 1.048 850 K CA 2.002 58.141 56.287 -0.247 0.000 0.926 850 K CB -0.374 31.910 32.500 -0.360 0.000 0.713 850 K HN 0.714 nan 8.250 nan 0.000 0.444 851 Y N -0.948 119.423 120.300 0.119 0.000 2.444 851 Y HA 0.349 4.898 4.550 -0.001 0.000 0.249 851 Y C 0.340 176.162 175.900 -0.130 0.000 1.134 851 Y CA -0.165 57.997 58.100 0.103 0.000 1.261 851 Y CB 0.674 39.344 38.460 0.349 0.000 1.143 851 Y HN -0.007 nan 8.280 nan 0.000 0.523 852 A N -0.084 122.652 122.820 -0.140 0.000 2.666 852 A HA 0.295 4.614 4.320 -0.001 0.000 0.312 852 A C -0.048 176.809 177.584 -1.212 0.000 1.471 852 A CA -0.398 51.284 52.037 -0.591 0.000 1.134 852 A CB -1.139 17.778 19.000 -0.139 0.000 1.129 852 A HN 0.473 nan 8.150 nan 0.000 0.539 853 C N 3.058 121.196 119.300 -1.936 0.000 3.305 853 C HA 0.464 4.923 4.460 -0.001 0.000 0.566 853 C C 1.430 175.772 174.990 -1.079 0.000 1.178 853 C CA -0.095 57.764 59.018 -1.933 0.000 1.317 853 C CB -1.967 24.916 27.740 -1.429 0.000 1.634 853 C HN 0.862 nan 8.230 nan 0.000 0.643 854 G N 0.832 109.214 108.800 -0.696 0.000 2.600 854 G HA2 0.687 4.646 3.960 -0.001 0.000 0.303 854 G HA3 0.687 4.646 3.960 -0.001 0.000 0.303 854 G C -0.429 174.578 174.900 0.179 0.000 1.253 854 G CA -0.836 44.254 45.100 -0.017 0.000 0.974 854 G HN 0.507 nan 8.290 nan 0.000 0.483 855 M N 0.202 119.923 119.600 0.203 0.000 2.211 855 M HA 0.639 5.118 4.480 -0.001 0.000 0.356 855 M C 0.259 176.648 176.300 0.148 0.000 1.216 855 M CA -0.421 54.979 55.300 0.166 0.000 1.134 855 M CB 1.785 34.448 32.600 0.104 0.000 1.564 855 M HN 0.435 nan 8.290 nan 0.000 0.463 856 A N 2.789 125.699 122.820 0.149 0.000 2.594 856 A HA 0.249 4.569 4.320 -0.001 0.000 0.287 856 A C 0.704 178.294 177.584 0.011 0.000 1.227 856 A CA -0.556 51.525 52.037 0.075 0.000 0.952 856 A CB -0.692 18.356 19.000 0.079 0.000 1.161 856 A HN 1.017 nan 8.150 nan 0.000 0.524 857 N N 1.755 120.476 118.700 0.034 0.000 2.073 857 N HA -0.225 4.514 4.740 -0.001 0.000 0.199 857 N C 0.977 176.482 175.510 -0.010 0.000 1.023 857 N CA 1.961 55.017 53.050 0.010 0.000 0.880 857 N CB -0.363 38.132 38.487 0.012 0.000 1.052 857 N HN 0.475 nan 8.380 nan 0.000 0.449 858 N N 0.016 118.716 118.700 -0.001 0.000 2.626 858 N HA -0.045 4.694 4.740 -0.001 0.000 0.193 858 N C -0.300 175.196 175.510 -0.024 0.000 1.213 858 N CA 0.754 53.803 53.050 -0.002 0.000 0.914 858 N CB -0.284 38.214 38.487 0.019 0.000 0.994 858 N HN 0.443 nan 8.380 nan 0.000 0.447 859 T N -1.833 112.681 114.554 -0.066 0.000 3.064 859 T HA 0.731 5.080 4.350 -0.001 0.000 0.367 859 T C -0.466 174.177 174.700 -0.096 0.000 1.202 859 T CA -0.927 61.104 62.100 -0.115 0.000 1.133 859 T CB 1.424 70.162 68.868 -0.216 0.000 1.074 859 T HN 0.080 nan 8.240 nan 0.000 0.519 860 A N 4.238 127.021 122.820 -0.061 0.000 2.359 860 A HA 0.756 5.075 4.320 -0.001 0.000 0.303 860 A C -0.515 177.047 177.584 -0.036 0.000 1.066 860 A CA -0.933 51.080 52.037 -0.041 0.000 0.730 860 A CB 1.154 20.125 19.000 -0.049 0.000 1.211 860 A HN 0.865 nan 8.150 nan 0.000 0.439 861 L N 3.219 124.439 121.223 -0.006 0.000 2.276 861 L HA 0.666 5.005 4.340 -0.001 0.000 0.286 861 L C 0.184 177.030 176.870 -0.040 0.000 1.061 861 L CA -0.578 54.274 54.840 0.020 0.000 0.807 861 L CB 1.228 43.349 42.059 0.104 0.000 1.177 861 L HN 0.707 nan 8.230 nan 0.000 0.429 862 V N 0.368 120.243 119.914 -0.064 0.000 3.165 862 V HA 0.801 4.920 4.120 -0.001 0.000 0.309 862 V C -1.372 174.631 176.094 -0.152 0.000 1.267 862 V CA -0.685 61.487 62.300 -0.213 0.000 1.067 862 V CB 2.323 34.012 31.823 -0.224 0.000 1.082 862 V HN 0.711 nan 8.190 nan 0.000 0.451 863 E N 0.462 120.441 120.200 -0.368 0.000 2.331 863 E HA 0.744 5.093 4.350 -0.001 0.000 0.275 863 E C -1.107 175.262 176.600 -0.385 0.000 0.895 863 E CA -0.448 55.752 56.400 -0.333 0.000 0.753 863 E CB 1.844 31.333 29.700 -0.352 0.000 1.216 863 E HN 1.112 nan 8.360 nan 0.000 0.434 864 I N -0.105 120.399 120.570 -0.110 0.000 2.957 864 I HA 0.855 5.024 4.170 -0.001 0.000 0.310 864 I C -0.853 175.341 176.117 0.128 0.000 1.063 864 I CA -0.911 60.402 61.300 0.022 0.000 1.033 864 I CB 2.211 40.218 38.000 0.011 0.000 1.230 864 I HN 0.672 nan 8.210 nan 0.000 0.447 865 E N 1.669 121.973 120.200 0.172 0.000 2.409 865 E HA 0.382 4.731 4.350 -0.001 0.000 0.280 865 E C -1.791 174.906 176.600 0.162 0.000 1.079 865 E CA -1.240 55.261 56.400 0.169 0.000 0.840 865 E CB 1.302 31.135 29.700 0.221 0.000 1.309 865 E HN 0.551 nan 8.360 nan 0.000 0.447 866 K N 0.762 121.246 120.400 0.140 0.000 2.382 866 K HA 0.061 4.380 4.320 -0.001 0.000 0.275 866 K C -0.779 175.962 176.600 0.234 0.000 1.009 866 K CA -0.283 56.094 56.287 0.150 0.000 0.970 866 K CB 0.496 33.055 32.500 0.098 0.000 0.934 866 K HN 0.472 nan 8.250 nan 0.000 0.479 867 W N 5.300 126.621 121.300 0.036 0.000 2.356 867 W HA 0.028 4.687 4.660 -0.001 0.000 0.311 867 W C 0.363 176.922 176.519 0.066 0.000 1.328 867 W CA -0.791 56.592 57.345 0.064 0.000 1.251 867 W CB 0.306 29.791 29.460 0.042 0.000 1.280 867 W HN 0.654 nan 8.180 nan 0.000 0.524 868 D N 3.216 123.574 120.400 -0.070 0.000 2.336 868 D HA 0.087 4.726 4.640 -0.001 0.000 0.229 868 D C 1.667 177.587 176.300 -0.633 0.000 1.061 868 D CA 0.584 54.429 54.000 -0.257 0.000 0.875 868 D CB -0.315 40.441 40.800 -0.074 0.000 0.904 868 D HN 0.758 nan 8.370 nan 0.000 0.525 869 G N 0.143 107.993 108.800 -1.583 0.000 2.199 869 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.254 869 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.254 869 G C 0.050 174.576 174.900 -0.623 0.000 0.982 869 G CA 0.162 44.232 45.100 -1.717 0.000 0.632 869 G HN 0.612 nan 8.290 nan 0.000 0.529 870 D N 0.611 120.869 120.400 -0.237 0.000 2.368 870 D HA 0.399 5.038 4.640 -0.001 0.000 0.240 870 D C 1.802 178.271 176.300 0.281 0.000 1.169 870 D CA 0.464 54.403 54.000 -0.102 0.000 0.906 870 D CB 0.495 40.968 40.800 -0.547 0.000 1.187 870 D HN 0.485 nan 8.370 nan 0.000 0.435 871 K N 1.196 121.660 120.400 0.107 0.000 2.393 871 K HA -0.004 4.316 4.320 -0.001 0.000 0.193 871 K C -0.030 176.737 176.600 0.277 0.000 1.026 871 K CA -0.188 56.240 56.287 0.236 0.000 1.064 871 K CB -0.175 32.404 32.500 0.131 0.000 0.833 871 K HN 0.467 nan 8.250 nan 0.000 0.521 872 Y N 2.167 122.543 120.300 0.127 0.000 2.981 872 Y HA -0.235 4.314 4.550 -0.002 0.000 0.204 872 Y C -0.315 175.607 175.900 0.037 0.000 1.265 872 Y CA 0.682 58.823 58.100 0.068 0.000 0.941 872 Y CB -1.843 36.694 38.460 0.127 0.000 1.254 872 Y HN 0.424 nan 8.280 nan 0.000 0.469 873 E N 2.244 122.491 120.200 0.077 0.000 1.892 873 E HA 0.279 4.628 4.350 -0.001 0.000 0.271 873 E C 0.935 177.505 176.600 -0.050 0.000 1.146 873 E CA 0.089 56.526 56.400 0.060 0.000 1.096 873 E CB -0.300 29.431 29.700 0.052 0.000 1.155 873 E HN 0.684 nan 8.360 nan 0.000 0.458 874 I N -0.936 119.493 120.570 -0.235 0.000 4.338 874 I HA 0.248 4.417 4.170 -0.001 0.000 0.329 874 I C -0.483 175.360 176.117 -0.458 0.000 1.378 874 I CA -0.658 60.425 61.300 -0.362 0.000 1.170 874 I CB 0.077 37.819 38.000 -0.431 0.000 1.206 874 I HN 0.073 nan 8.210 nan 0.000 0.432 875 Y N 0.000 120.350 120.300 0.083 0.000 2.660 875 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 875 Y CA 0.000 58.141 58.100 0.069 0.000 1.940 875 Y CB 0.000 38.501 38.460 0.069 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758