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 3eqo_1_A DATA FIRST_RESID 1 DATA SEQUENCE LGSTcSSPLT HGSAAPGDPF WLQNIQHQGI AAFNGNPGGY PVFRNVKNYG DATA SEQUENCE AKGDGNTDDT AAIQAAINAG GRCGQGCDST TTQPALVYFP PGTYKVSSPL DATA SEQUENCE VVLYQTQLIG DAKNLPTLLA APNFSGIALI DADPYLAGGA QYYVNQNNFF DATA SEQUENCE RSVRNFVIDL RQVSGSATGI HWQVSQATSL INIVFQMSTA AGNQHQGIFM DATA SEQUENCE ENGSGGFLGD LVFNGGNIGA TFGNQQFTVR NLTFNNANTA INAIWNWGWT DATA SEQUENCE FQRITINNCQ VGFDLTQGGT SNTGAQGVGA EAIIDAVVTN TQTFVRWSGA DATA SEQUENCE SSGHLQGSLV LNNIQLTNVP VAVGVKGGPT VLAGGTTTIN SWAQGNVYHG DATA SEQUENCE TNGNPTFTQG NIANINRPGV LLDSTGRIVS KSHPQYTGYA PSDFVSVRSQ DATA SEQUENCE GAKGDGHTDD TQAIKNVFAK YAGcKIIFFD AGTYIVTDTI QIPAGTQIVG DATA SEQUENCE EVWSVIMGTG SKFTDYNNPQ PVIQVGAPGS SGVVEITDMI FTTRGPAAGA DATA SEQUENCE IIVEWNVHDP SGQQAAAGAW DTHLIIGGTA QSGLQVGQcP TSGAGGNNcF DATA SEQUENCE ADFLGLHLTS GSSAYLEGMW VWLADHDLDS GGSQQISLWS NGGIMSESQG DATA SEQUENCE PVWLIGTASE HHINYQYFLK NAANHYIGLA QTETPYFQPN PNPPAPFITN DATA SEQUENCE SNFDPSQLGQ GDAWAMTVQN SHGILVFGAG FYSFFSAYNT GcQSPQNcQN DATA SEQUENCE QIVNVDSSSD IAFYSLTTVD TTWQFSVNAQ GVINRSNNPN GFADTITAWT DATA SEQUENCE RN 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.864 176.870 -0.011 0.000 1.165 1 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 1 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 2 G N 1.197 109.992 108.800 -0.008 0.000 2.559 2 G HA2 0.328 4.318 3.960 0.050 0.000 0.235 2 G HA3 0.328 4.318 3.960 0.050 0.000 0.235 2 G C 0.888 175.735 174.900 -0.088 0.000 1.266 2 G CA 0.212 45.286 45.100 -0.042 0.000 0.847 2 G HN 1.202 nan 8.290 nan 0.000 0.583 3 S N -0.662 114.960 115.700 -0.130 0.000 2.555 3 S HA -0.112 4.388 4.470 0.050 0.000 0.230 3 S C 1.864 176.376 174.600 -0.147 0.000 0.978 3 S CA 1.306 59.433 58.200 -0.122 0.000 0.934 3 S CB -0.241 62.891 63.200 -0.114 0.000 0.766 3 S HN 0.882 nan 8.310 nan 0.000 0.533 4 T N -0.936 113.493 114.554 -0.208 0.000 3.086 4 T HA 0.346 4.726 4.350 0.050 0.000 0.250 4 T C 0.729 175.375 174.700 -0.090 0.000 1.074 4 T CA -0.005 61.987 62.100 -0.180 0.000 0.988 4 T CB -1.141 67.549 68.868 -0.297 0.000 0.988 4 T HN 0.737 nan 8.240 nan 0.000 0.530 5 c N 0.058 118.617 118.600 -0.068 0.000 3.171 5 c HA 0.879 5.479 4.570 0.050 0.000 0.308 5 c C 1.384 175.456 174.090 -0.030 0.000 1.334 5 c CA -0.114 56.193 56.329 -0.036 0.000 1.473 5 c CB 1.550 44.048 42.510 -0.020 0.000 1.866 5 c HN 0.203 nan 8.230 nan 0.000 0.465 6 S N 0.582 116.270 115.700 -0.020 0.000 2.506 6 S HA 0.379 4.879 4.470 0.050 0.000 0.219 6 S C 0.497 175.092 174.600 -0.008 0.000 1.031 6 S CA 0.581 58.772 58.200 -0.015 0.000 0.911 6 S CB -0.397 62.795 63.200 -0.013 0.000 0.812 6 S HN 1.669 nan 8.310 nan 0.000 0.497 7 S N 0.643 116.340 115.700 -0.005 0.000 2.607 7 S HA 0.715 5.216 4.470 0.050 0.000 0.273 7 S C -3.509 171.094 174.600 0.005 0.000 1.148 7 S CA -1.546 56.656 58.200 0.003 0.000 0.833 7 S CB 0.603 63.808 63.200 0.009 0.000 1.130 7 S HN -0.029 nan 8.310 nan 0.000 0.470 8 P HA 0.266 nan 4.420 nan 0.000 0.268 8 P C -0.764 176.546 177.300 0.016 0.000 1.205 8 P CA -0.475 62.636 63.100 0.018 0.000 0.771 8 P CB 0.178 31.897 31.700 0.031 0.000 0.858 9 L N 3.554 124.779 121.223 0.005 0.000 2.433 9 L HA 0.207 4.577 4.340 0.050 0.000 0.275 9 L C 0.975 177.873 176.870 0.047 0.000 1.128 9 L CA 1.057 55.888 54.840 -0.015 0.000 0.875 9 L CB -0.116 41.925 42.059 -0.031 0.000 1.171 9 L HN 0.540 nan 8.230 nan 0.000 0.463 10 T N 0.469 115.063 114.554 0.067 0.000 3.043 10 T HA 0.310 4.690 4.350 0.050 0.000 0.272 10 T C 0.170 175.012 174.700 0.238 0.000 0.990 10 T CA 0.312 62.511 62.100 0.165 0.000 0.897 10 T CB -0.354 68.614 68.868 0.166 0.000 1.111 10 T HN 0.775 nan 8.240 nan 0.000 0.529 11 H N -1.277 117.751 119.070 -0.069 0.000 3.003 11 H HA 0.598 5.184 4.556 0.049 0.000 0.327 11 H C -0.147 174.741 175.328 -0.732 0.000 1.353 11 H CA -0.959 54.925 56.048 -0.273 0.000 1.142 11 H CB 1.074 30.749 29.762 -0.145 0.000 1.864 11 H HN 0.150 nan 8.280 nan 0.000 0.529 12 G N -0.398 107.686 108.800 -1.192 0.000 2.569 12 G HA2 0.321 4.311 3.960 0.050 0.000 0.249 12 G HA3 0.321 4.311 3.960 0.050 0.000 0.249 12 G C 0.588 175.192 174.900 -0.493 0.000 1.216 12 G CA 0.018 44.404 45.100 -1.190 0.000 0.845 12 G HN 0.792 nan 8.290 nan 0.000 0.568 13 S N -0.181 115.324 115.700 -0.325 0.000 2.601 13 S HA 0.534 5.034 4.470 0.050 0.000 0.244 13 S C 0.843 175.413 174.600 -0.050 0.000 1.001 13 S CA 0.254 58.357 58.200 -0.162 0.000 0.984 13 S CB 0.017 63.122 63.200 -0.159 0.000 0.842 13 S HN 1.032 nan 8.310 nan 0.000 0.474 14 A N 1.522 124.338 122.820 -0.006 0.000 2.388 14 A HA 0.760 5.110 4.320 0.050 0.000 0.257 14 A C 0.691 178.306 177.584 0.052 0.000 1.095 14 A CA -0.113 51.959 52.037 0.058 0.000 0.791 14 A CB 0.011 19.093 19.000 0.136 0.000 1.029 14 A HN 1.000 nan 8.150 nan 0.000 0.489 15 A N 3.597 126.447 122.820 0.050 0.000 2.401 15 A HA 0.556 4.906 4.320 0.050 0.000 0.259 15 A C -1.413 176.209 177.584 0.062 0.000 1.103 15 A CA -1.278 50.787 52.037 0.046 0.000 0.789 15 A CB -0.141 18.880 19.000 0.036 0.000 1.035 15 A HN 0.599 nan 8.150 nan 0.000 0.491 16 P HA -0.088 nan 4.420 nan 0.000 0.221 16 P C 1.309 178.649 177.300 0.067 0.000 1.145 16 P CA 1.687 64.827 63.100 0.066 0.000 0.795 16 P CB 0.195 31.925 31.700 0.050 0.000 0.775 17 G N -1.266 107.567 108.800 0.055 0.000 2.920 17 G HA2 -0.045 3.945 3.960 0.050 0.000 0.208 17 G HA3 -0.045 3.945 3.960 0.050 0.000 0.208 17 G C 0.076 175.015 174.900 0.064 0.000 1.159 17 G CA -0.085 45.047 45.100 0.053 0.000 0.784 17 G HN 0.174 nan 8.290 nan 0.000 0.535 18 D N 1.497 121.943 120.400 0.077 0.000 2.382 18 D HA 0.254 4.924 4.640 0.050 0.000 0.245 18 D C -1.873 174.496 176.300 0.115 0.000 1.120 18 D CA -1.320 52.731 54.000 0.085 0.000 0.890 18 D CB 1.467 42.319 40.800 0.088 0.000 1.201 18 D HN 0.091 nan 8.370 nan 0.000 0.433 19 P HA 0.029 nan 4.420 nan 0.000 0.272 19 P C 0.058 177.478 177.300 0.199 0.000 1.223 19 P CA -0.525 62.669 63.100 0.157 0.000 0.784 19 P CB 0.403 32.187 31.700 0.140 0.000 0.923 20 F N 3.624 123.623 119.950 0.080 0.000 2.642 20 F HA -0.104 4.452 4.527 0.048 0.000 0.371 20 F C 1.826 177.582 175.800 -0.072 0.000 1.120 20 F CA -0.281 57.738 58.000 0.031 0.000 1.331 20 F CB 0.148 39.146 39.000 -0.003 0.000 1.044 20 F HN 0.505 nan 8.300 nan 0.000 0.594 21 W N 5.165 126.075 121.300 -0.650 0.000 2.350 21 W HA -0.243 4.444 4.660 0.045 0.000 0.289 21 W C 1.414 177.486 176.519 -0.744 0.000 1.215 21 W CA 0.782 57.766 57.345 -0.602 0.000 1.236 21 W CB -1.290 27.854 29.460 -0.526 0.000 1.130 21 W HN 0.564 nan 8.180 nan 0.000 0.541 22 L N 1.987 122.189 121.223 -1.702 0.000 2.191 22 L HA -0.195 4.175 4.340 0.050 0.000 0.212 22 L C 2.926 179.278 176.870 -0.863 0.000 1.103 22 L CA 2.260 56.304 54.840 -1.326 0.000 0.769 22 L CB -1.130 40.160 42.059 -1.282 0.000 0.908 22 L HN 0.179 nan 8.230 nan 0.000 0.438 23 Q N -0.998 118.380 119.800 -0.703 0.000 2.079 23 Q HA -0.176 4.194 4.340 0.050 0.000 0.200 23 Q C 1.057 176.948 176.000 -0.182 0.000 0.974 23 Q CA 1.688 57.264 55.803 -0.378 0.000 0.840 23 Q CB 0.127 28.867 28.738 0.003 0.000 0.898 23 Q HN 0.525 nan 8.270 nan 0.000 0.430 24 N N -0.148 118.400 118.700 -0.254 0.000 2.184 24 N HA 0.152 4.922 4.740 0.050 0.000 0.206 24 N C 0.105 175.372 175.510 -0.405 0.000 1.151 24 N CA -0.108 52.800 53.050 -0.237 0.000 0.878 24 N CB 0.554 38.963 38.487 -0.129 0.000 1.014 24 N HN 0.241 nan 8.380 nan 0.000 0.512 25 I N 1.375 121.616 120.570 -0.548 0.000 2.948 25 I HA -0.138 4.062 4.170 0.050 0.000 0.290 25 I C 0.779 176.343 176.117 -0.923 0.000 1.226 25 I CA 0.073 60.969 61.300 -0.672 0.000 1.413 25 I CB 0.748 38.287 38.000 -0.768 0.000 1.352 25 I HN 0.054 nan 8.210 nan 0.000 0.597 26 Q N 5.257 124.669 119.800 -0.648 0.000 2.337 26 Q HA 0.060 4.430 4.340 0.050 0.000 0.270 26 Q C -1.096 174.552 176.000 -0.587 0.000 1.002 26 Q CA -0.138 55.348 55.803 -0.529 0.000 0.888 26 Q CB 0.445 29.020 28.738 -0.271 0.000 1.222 26 Q HN 0.507 nan 8.270 nan 0.000 0.400 27 H N 3.976 122.938 119.070 -0.180 0.000 2.661 27 H HA 0.162 4.748 4.556 0.049 0.000 0.290 27 H C -0.402 174.931 175.328 0.008 0.000 1.082 27 H CA -0.077 55.892 56.048 -0.132 0.000 1.234 27 H CB 0.816 30.456 29.762 -0.204 0.000 1.387 27 H HN 0.638 nan 8.280 nan 0.000 0.476 28 Q N 1.787 121.689 119.800 0.170 0.000 2.110 28 Q HA 0.212 4.582 4.340 0.050 0.000 0.232 28 Q C 0.958 177.058 176.000 0.168 0.000 0.810 28 Q CA -0.507 55.381 55.803 0.142 0.000 1.083 28 Q CB 1.540 30.338 28.738 0.099 0.000 1.193 28 Q HN 0.604 nan 8.270 nan 0.000 0.471 29 G N 2.062 110.992 108.800 0.217 0.000 2.441 29 G HA2 0.369 4.359 3.960 0.050 0.000 0.243 29 G HA3 0.369 4.359 3.960 0.050 0.000 0.243 29 G C 0.088 175.089 174.900 0.168 0.000 1.281 29 G CA -0.235 44.990 45.100 0.208 0.000 0.854 29 G HN 0.335 nan 8.290 nan 0.000 0.560 30 I N -0.384 120.254 120.570 0.114 0.000 2.646 30 I HA 0.774 4.974 4.170 0.050 0.000 0.299 30 I C -0.026 176.124 176.117 0.056 0.000 1.036 30 I CA -1.450 59.896 61.300 0.078 0.000 1.074 30 I CB 2.571 40.574 38.000 0.005 0.000 1.258 30 I HN 0.492 nan 8.210 nan 0.000 0.430 31 A N 4.244 127.094 122.820 0.050 0.000 2.478 31 A HA 0.687 5.037 4.320 0.050 0.000 0.327 31 A C 1.045 178.531 177.584 -0.163 0.000 1.431 31 A CA -0.011 51.992 52.037 -0.057 0.000 1.014 31 A CB 0.552 19.428 19.000 -0.206 0.000 1.143 31 A HN 1.095 nan 8.150 nan 0.000 0.532 32 A N 2.096 124.725 122.820 -0.317 0.000 1.908 32 A HA 0.006 4.356 4.320 0.050 0.000 0.218 32 A C 0.957 178.224 177.584 -0.529 0.000 1.181 32 A CA 1.519 53.206 52.037 -0.582 0.000 0.627 32 A CB -0.471 17.881 19.000 -1.080 0.000 0.818 32 A HN 0.773 nan 8.150 nan 0.000 0.445 33 F N 0.244 120.186 119.950 -0.014 0.000 2.639 33 F HA 0.248 4.804 4.527 0.047 0.000 0.300 33 F C 0.815 176.587 175.800 -0.046 0.000 1.109 33 F CA -1.319 56.678 58.000 -0.006 0.000 1.335 33 F CB -0.835 38.167 39.000 0.003 0.000 1.014 33 F HN 0.178 nan 8.300 nan 0.000 0.537 34 N N 1.032 119.719 118.700 -0.022 0.000 2.415 34 N HA -0.015 4.755 4.740 0.050 0.000 0.248 34 N C 1.545 177.048 175.510 -0.011 0.000 1.271 34 N CA 0.768 53.753 53.050 -0.108 0.000 0.913 34 N CB 1.322 39.624 38.487 -0.309 0.000 1.129 34 N HN 0.336 nan 8.380 nan 0.000 0.444 35 G N 1.080 109.872 108.800 -0.013 0.000 2.443 35 G HA2 -0.207 3.783 3.960 0.050 0.000 0.219 35 G HA3 -0.207 3.783 3.960 0.050 0.000 0.219 35 G C 0.697 175.625 174.900 0.048 0.000 1.131 35 G CA 0.496 45.615 45.100 0.030 0.000 0.775 35 G HN 0.663 nan 8.290 nan 0.000 0.547 36 N N -0.158 118.574 118.700 0.054 0.000 2.844 36 N HA 0.337 5.107 4.740 0.050 0.000 0.268 36 N C -1.931 173.642 175.510 0.105 0.000 1.574 36 N CA -1.991 51.110 53.050 0.086 0.000 0.838 36 N CB 1.557 40.108 38.487 0.107 0.000 1.177 36 N HN -0.149 nan 8.380 nan 0.000 0.495 37 P HA -0.048 nan 4.420 nan 0.000 0.216 37 P C 1.266 178.629 177.300 0.105 0.000 1.150 37 P CA 1.059 64.201 63.100 0.069 0.000 0.843 37 P CB 0.178 31.898 31.700 0.033 0.000 0.787 38 G N -1.136 107.719 108.800 0.091 0.000 2.534 38 G HA2 -0.053 3.937 3.960 0.050 0.000 0.217 38 G HA3 -0.053 3.937 3.960 0.050 0.000 0.217 38 G C 1.377 176.335 174.900 0.097 0.000 1.128 38 G CA 0.807 45.958 45.100 0.085 0.000 0.784 38 G HN 0.434 nan 8.290 nan 0.000 0.542 39 G N -1.518 107.355 108.800 0.123 0.000 3.274 39 G HA2 0.250 4.240 3.960 0.050 0.000 0.250 39 G HA3 0.250 4.240 3.960 0.050 0.000 0.250 39 G C -0.275 174.710 174.900 0.140 0.000 1.024 39 G CA -0.432 44.736 45.100 0.113 0.000 0.840 39 G HN 0.278 nan 8.290 nan 0.000 0.522 40 Y N 3.623 123.960 120.300 0.061 0.000 2.425 40 Y HA 0.496 5.075 4.550 0.049 0.000 0.347 40 Y C -2.100 173.850 175.900 0.083 0.000 0.976 40 Y CA -2.726 55.414 58.100 0.067 0.000 1.190 40 Y CB 1.485 39.978 38.460 0.056 0.000 1.136 40 Y HN -0.049 nan 8.280 nan 0.000 0.517 41 P HA 0.077 nan 4.420 nan 0.000 0.287 41 P C 0.150 177.371 177.300 -0.132 0.000 1.281 41 P CA -0.091 62.941 63.100 -0.113 0.000 0.781 41 P CB 2.311 33.985 31.700 -0.043 0.000 0.903 42 V N 3.714 123.710 119.914 0.137 0.000 2.346 42 V HA -0.067 4.083 4.120 0.050 0.000 0.244 42 V C 1.162 177.373 176.094 0.195 0.000 1.037 42 V CA 1.065 63.502 62.300 0.229 0.000 1.029 42 V CB -0.775 31.230 31.823 0.303 0.000 0.663 42 V HN 0.479 nan 8.190 nan 0.000 0.454 43 F N 1.610 121.589 119.950 0.048 0.000 2.394 43 F HA 0.599 5.155 4.527 0.048 0.000 0.340 43 F C 0.335 176.105 175.800 -0.050 0.000 1.105 43 F CA -0.689 57.294 58.000 -0.029 0.000 1.124 43 F CB 0.625 39.527 39.000 -0.165 0.000 1.145 43 F HN -0.057 nan 8.300 nan 0.000 0.505 44 R N 4.047 124.182 120.500 -0.608 0.000 2.507 44 R HA 0.187 4.557 4.340 0.050 0.000 0.298 44 R C -1.088 174.908 176.300 -0.505 0.000 1.087 44 R CA -0.801 55.116 56.100 -0.304 0.000 0.917 44 R CB 0.785 30.943 30.300 -0.237 0.000 1.173 44 R HN 0.505 nan 8.270 nan 0.000 0.472 45 N N 2.755 121.293 118.700 -0.269 0.000 2.420 45 N HA -0.028 4.742 4.740 0.050 0.000 0.262 45 N C 1.272 176.754 175.510 -0.047 0.000 1.144 45 N CA -0.009 52.980 53.050 -0.103 0.000 0.952 45 N CB 1.417 40.002 38.487 0.163 0.000 1.081 45 N HN 0.483 nan 8.380 nan 0.000 0.480 46 V N 2.799 122.550 119.914 -0.271 0.000 2.546 46 V HA -0.208 3.942 4.120 0.050 0.000 0.254 46 V C 1.716 177.799 176.094 -0.019 0.000 1.076 46 V CA 1.488 63.628 62.300 -0.267 0.000 1.087 46 V CB -0.545 30.846 31.823 -0.721 0.000 0.674 46 V HN 0.571 nan 8.190 nan 0.000 0.470 47 K N 0.627 121.043 120.400 0.028 0.000 2.288 47 K HA 0.001 4.351 4.320 0.050 0.000 0.201 47 K C 1.772 178.395 176.600 0.038 0.000 1.048 47 K CA 1.147 57.483 56.287 0.081 0.000 0.956 47 K CB -0.326 32.242 32.500 0.113 0.000 0.746 47 K HN 0.461 nan 8.250 nan 0.000 0.461 48 N N 0.247 118.946 118.700 -0.001 0.000 2.512 48 N HA -0.099 4.671 4.740 0.050 0.000 0.183 48 N C 0.410 175.716 175.510 -0.340 0.000 1.073 48 N CA 1.008 53.962 53.050 -0.160 0.000 0.911 48 N CB 0.071 38.422 38.487 -0.226 0.000 0.964 48 N HN 0.280 nan 8.380 nan 0.000 0.447 49 Y N -0.913 119.363 120.300 -0.041 0.000 2.607 49 Y HA 0.377 4.958 4.550 0.051 0.000 0.266 49 Y C 1.477 177.365 175.900 -0.019 0.000 1.178 49 Y CA -0.147 57.929 58.100 -0.040 0.000 1.226 49 Y CB 0.417 38.833 38.460 -0.072 0.000 1.144 49 Y HN 0.053 nan 8.280 nan 0.000 0.528 50 G N -0.146 108.701 108.800 0.078 0.000 2.159 50 G HA2 -0.165 3.825 3.960 0.050 0.000 0.227 50 G HA3 -0.165 3.825 3.960 0.050 0.000 0.227 50 G C 0.243 175.197 174.900 0.090 0.000 0.986 50 G CA -0.234 44.908 45.100 0.070 0.000 0.651 50 G HN 0.568 nan 8.290 nan 0.000 0.523 51 A N 0.143 123.032 122.820 0.115 0.000 2.409 51 A HA 0.696 5.046 4.320 0.050 0.000 0.262 51 A C 1.340 179.026 177.584 0.169 0.000 1.113 51 A CA 0.529 52.673 52.037 0.177 0.000 0.790 51 A CB 0.549 19.691 19.000 0.237 0.000 1.046 51 A HN 0.120 nan 8.150 nan 0.000 0.496 52 K N 1.910 122.385 120.400 0.125 0.000 2.202 52 K HA 0.116 4.466 4.320 0.050 0.000 0.201 52 K C 1.307 177.880 176.600 -0.045 0.000 1.051 52 K CA 1.015 57.327 56.287 0.043 0.000 0.977 52 K CB -0.152 32.360 32.500 0.020 0.000 0.792 52 K HN 1.634 nan 8.250 nan 0.000 0.469 53 G N 3.608 112.305 108.800 -0.172 0.000 2.221 53 G HA2 -0.240 3.750 3.960 0.050 0.000 0.265 53 G HA3 -0.240 3.750 3.960 0.050 0.000 0.265 53 G C 0.008 174.698 174.900 -0.350 0.000 1.041 53 G CA 0.852 45.576 45.100 -0.627 0.000 0.807 53 G HN 0.469 nan 8.290 nan 0.000 0.502 54 D N -1.645 118.646 120.400 -0.181 0.000 2.395 54 D HA 0.396 5.066 4.640 0.050 0.000 0.213 54 D C 1.846 178.096 176.300 -0.084 0.000 1.110 54 D CA 0.555 54.489 54.000 -0.110 0.000 0.835 54 D CB -0.350 40.415 40.800 -0.058 0.000 0.965 54 D HN 1.382 nan 8.370 nan 0.000 0.505 55 G N 0.745 109.491 108.800 -0.090 0.000 2.302 55 G HA2 -0.470 3.520 3.960 0.050 0.000 0.263 55 G HA3 -0.470 3.520 3.960 0.050 0.000 0.263 55 G C 1.195 176.087 174.900 -0.014 0.000 0.995 55 G CA 0.796 45.868 45.100 -0.045 0.000 0.622 55 G HN 0.524 nan 8.290 nan 0.000 0.538 56 N N -0.191 118.502 118.700 -0.012 0.000 2.571 56 N HA 0.117 4.887 4.740 0.050 0.000 0.195 56 N C 0.964 176.483 175.510 0.015 0.000 1.040 56 N CA 1.311 54.363 53.050 0.003 0.000 0.890 56 N CB 0.223 38.710 38.487 -0.001 0.000 1.233 56 N HN 0.257 nan 8.380 nan 0.000 0.435 57 T N 1.570 116.133 114.554 0.015 0.000 2.902 57 T HA -0.053 4.327 4.350 0.050 0.000 0.301 57 T C -0.476 174.253 174.700 0.048 0.000 1.012 57 T CA 0.082 62.199 62.100 0.029 0.000 1.151 57 T CB 0.332 69.217 68.868 0.029 0.000 0.946 57 T HN 0.123 nan 8.240 nan 0.000 0.542 58 D N 2.426 122.857 120.400 0.052 0.000 2.338 58 D HA 0.025 4.695 4.640 0.050 0.000 0.255 58 D C 0.143 176.494 176.300 0.085 0.000 1.237 58 D CA -0.340 53.701 54.000 0.068 0.000 0.883 58 D CB 0.670 41.501 40.800 0.052 0.000 1.087 58 D HN 0.358 nan 8.370 nan 0.000 0.485 59 D N 2.593 123.067 120.400 0.123 0.000 2.349 59 D HA -0.015 4.655 4.640 0.050 0.000 0.214 59 D C 1.527 177.906 176.300 0.132 0.000 1.063 59 D CA 0.203 54.296 54.000 0.154 0.000 0.847 59 D CB 0.522 41.485 40.800 0.271 0.000 0.933 59 D HN 0.430 nan 8.370 nan 0.000 0.513 60 T N 0.614 115.234 114.554 0.110 0.000 2.597 60 T HA -0.249 4.131 4.350 0.050 0.000 0.267 60 T C 2.043 176.780 174.700 0.062 0.000 1.053 60 T CA 1.907 64.061 62.100 0.090 0.000 1.165 60 T CB -0.179 68.730 68.868 0.068 0.000 0.863 60 T HN 0.242 nan 8.240 nan 0.000 0.427 61 A N 1.449 124.299 122.820 0.050 0.000 1.873 61 A HA 0.218 4.568 4.320 0.050 0.000 0.215 61 A C 2.714 180.319 177.584 0.034 0.000 1.186 61 A CA 1.905 53.965 52.037 0.037 0.000 0.616 61 A CB -1.273 17.748 19.000 0.035 0.000 0.823 61 A HN 0.534 nan 8.150 nan 0.000 0.442 62 A N 0.242 123.094 122.820 0.053 0.000 1.873 62 A HA -0.190 4.160 4.320 0.050 0.000 0.218 62 A C 2.122 179.705 177.584 -0.001 0.000 1.193 62 A CA 1.802 53.875 52.037 0.060 0.000 0.629 62 A CB -0.795 18.258 19.000 0.088 0.000 0.826 62 A HN 0.517 nan 8.150 nan 0.000 0.447 63 I N -1.056 119.505 120.570 -0.015 0.000 2.118 63 I HA -0.337 3.863 4.170 0.050 0.000 0.241 63 I C 2.771 178.829 176.117 -0.098 0.000 1.070 63 I CA 1.992 63.237 61.300 -0.091 0.000 1.327 63 I CB -0.428 37.584 38.000 0.019 0.000 1.034 63 I HN 0.379 nan 8.210 nan 0.000 0.405 64 Q N 0.911 120.690 119.800 -0.034 0.000 2.152 64 Q HA -0.216 4.154 4.340 0.050 0.000 0.206 64 Q C 2.135 178.079 176.000 -0.093 0.000 0.985 64 Q CA 2.219 58.001 55.803 -0.036 0.000 0.863 64 Q CB -0.339 28.403 28.738 0.006 0.000 0.904 64 Q HN 0.558 nan 8.270 nan 0.000 0.422 65 A N -0.169 122.580 122.820 -0.117 0.000 1.930 65 A HA -0.032 4.318 4.320 0.050 0.000 0.217 65 A C 2.251 179.497 177.584 -0.563 0.000 1.175 65 A CA 1.651 53.569 52.037 -0.199 0.000 0.627 65 A CB -1.041 17.927 19.000 -0.052 0.000 0.815 65 A HN 0.488 nan 8.150 nan 0.000 0.443 66 A N 0.000 122.406 122.820 -0.690 0.000 1.933 66 A HA -0.096 4.254 4.320 0.050 0.000 0.218 66 A C 2.095 179.376 177.584 -0.505 0.000 1.175 66 A CA 1.581 53.071 52.037 -0.911 0.000 0.628 66 A CB -0.585 18.071 19.000 -0.572 0.000 0.814 66 A HN 0.509 nan 8.150 nan 0.000 0.444 67 I N -0.316 120.084 120.570 -0.284 0.000 2.252 67 I HA -0.202 3.998 4.170 0.050 0.000 0.245 67 I C 1.886 177.947 176.117 -0.092 0.000 1.102 67 I CA 1.214 62.438 61.300 -0.127 0.000 1.385 67 I CB -0.308 37.671 38.000 -0.034 0.000 1.064 67 I HN 0.245 nan 8.210 nan 0.000 0.414 68 N N 0.937 119.569 118.700 -0.114 0.000 2.415 68 N HA 0.119 4.889 4.740 0.050 0.000 0.176 68 N C 0.647 176.128 175.510 -0.048 0.000 1.042 68 N CA 0.387 53.414 53.050 -0.038 0.000 0.902 68 N CB -0.155 38.325 38.487 -0.012 0.000 0.986 68 N HN 0.188 nan 8.380 nan 0.000 0.447 69 A N -0.186 122.546 122.820 -0.146 0.000 2.540 69 A HA 0.425 4.775 4.320 0.050 0.000 0.239 69 A C 1.466 178.982 177.584 -0.113 0.000 1.061 69 A CA 0.836 52.797 52.037 -0.126 0.000 0.758 69 A CB -0.392 18.480 19.000 -0.214 0.000 0.991 69 A HN 0.494 nan 8.150 nan 0.000 0.502 70 G N 0.728 109.504 108.800 -0.040 0.000 2.213 70 G HA2 0.296 4.286 3.960 0.050 0.000 0.226 70 G HA3 0.296 4.286 3.960 0.050 0.000 0.226 70 G C 1.469 176.497 174.900 0.214 0.000 0.992 70 G CA 0.610 45.718 45.100 0.013 0.000 0.632 70 G HN 3.038 nan 8.290 nan 0.000 0.511 71 G N -0.018 108.871 108.800 0.150 0.000 2.905 71 G HA2 0.085 4.075 3.960 0.050 0.000 0.245 71 G HA3 0.085 4.075 3.960 0.050 0.000 0.245 71 G C -0.079 174.931 174.900 0.184 0.000 1.004 71 G CA 0.820 46.002 45.100 0.136 0.000 1.089 71 G HN 0.896 nan 8.290 nan 0.000 0.456 72 R N 0.431 121.027 120.500 0.159 0.000 2.981 72 R HA 0.721 5.091 4.340 0.050 0.000 0.228 72 R C 0.373 176.749 176.300 0.127 0.000 1.421 72 R CA -0.390 55.813 56.100 0.172 0.000 1.073 72 R CB 0.934 31.352 30.300 0.197 0.000 1.568 72 R HN 0.723 nan 8.270 nan 0.000 0.514 73 C N 1.706 121.093 119.300 0.146 0.000 2.252 73 C HA 0.565 5.055 4.460 0.050 0.000 0.342 73 C C 0.743 175.881 174.990 0.248 0.000 1.110 73 C CA -0.062 59.040 59.018 0.139 0.000 1.581 73 C CB -1.440 26.350 27.740 0.084 0.000 2.087 73 C HN 0.808 nan 8.230 nan 0.000 0.500 74 G N 3.388 112.255 108.800 0.111 0.000 3.175 74 G HA2 0.309 4.299 3.960 0.050 0.000 0.153 74 G HA3 0.309 4.299 3.960 0.050 0.000 0.153 74 G C -0.737 173.901 174.900 -0.436 0.000 1.216 74 G CA -0.299 44.798 45.100 -0.005 0.000 0.943 74 G HN 0.739 nan 8.290 nan 0.000 0.611 75 Q N 0.192 119.477 119.800 -0.859 0.000 2.269 75 Q HA 0.334 4.704 4.340 0.050 0.000 0.300 75 Q C 1.109 176.887 176.000 -0.371 0.000 1.070 75 Q CA 1.288 56.588 55.803 -0.840 0.000 0.957 75 Q CB 0.323 28.684 28.738 -0.628 0.000 1.131 75 Q HN 1.271 nan 8.270 nan 0.000 0.377 76 G N 2.324 110.953 108.800 -0.285 0.000 2.147 76 G HA2 -0.279 3.711 3.960 0.050 0.000 0.244 76 G HA3 -0.279 3.711 3.960 0.050 0.000 0.244 76 G C -0.265 174.575 174.900 -0.100 0.000 1.005 76 G CA -0.004 45.007 45.100 -0.149 0.000 0.713 76 G HN 0.714 nan 8.290 nan 0.000 0.515 77 C N 0.158 119.406 119.300 -0.087 0.000 2.431 77 C HA 0.685 5.175 4.460 0.050 0.000 0.321 77 C C 1.222 176.223 174.990 0.018 0.000 1.202 77 C CA -0.191 58.807 59.018 -0.032 0.000 1.398 77 C CB 1.107 28.841 27.740 -0.011 0.000 2.047 77 C HN 0.336 nan 8.230 nan 0.000 0.465 78 D N 1.872 122.249 120.400 -0.037 0.000 2.123 78 D HA 0.081 4.751 4.640 0.050 0.000 0.200 78 D C 0.820 176.973 176.300 -0.245 0.000 0.976 78 D CA 1.734 55.710 54.000 -0.041 0.000 0.831 78 D CB 0.293 41.069 40.800 -0.040 0.000 0.974 78 D HN 0.864 nan 8.370 nan 0.000 0.469 79 S N -2.755 112.667 115.700 -0.463 0.000 2.633 79 S HA 0.496 4.996 4.470 0.050 0.000 0.271 79 S C -0.842 173.401 174.600 -0.595 0.000 1.112 79 S CA -0.967 56.585 58.200 -1.080 0.000 0.828 79 S CB 2.464 65.317 63.200 -0.578 0.000 1.086 79 S HN -0.058 nan 8.310 nan 0.000 0.461 80 T N 0.348 114.590 114.554 -0.520 0.000 2.942 80 T HA 0.658 5.038 4.350 0.050 0.000 0.327 80 T C 0.167 174.826 174.700 -0.069 0.000 1.360 80 T CA 0.178 62.188 62.100 -0.150 0.000 1.055 80 T CB 1.642 70.447 68.868 -0.105 0.000 1.261 80 T HN 1.371 nan 8.240 nan 0.000 0.485 81 T N -1.285 113.131 114.554 -0.230 0.000 3.040 81 T HA 0.149 4.529 4.350 0.050 0.000 0.266 81 T C 1.452 175.770 174.700 -0.636 0.000 1.005 81 T CA 0.692 62.383 62.100 -0.682 0.000 0.906 81 T CB -0.056 68.372 68.868 -0.735 0.000 1.082 81 T HN 0.658 nan 8.240 nan 0.000 0.531 82 T N -0.539 113.837 114.554 -0.296 0.000 3.069 82 T HA 0.295 4.675 4.350 0.050 0.000 0.252 82 T C 0.547 175.063 174.700 -0.307 0.000 1.053 82 T CA -0.349 61.617 62.100 -0.224 0.000 0.964 82 T CB -0.191 68.619 68.868 -0.097 0.000 1.005 82 T HN 0.388 nan 8.240 nan 0.000 0.532 83 Q N 2.445 122.099 119.800 -0.242 0.000 3.075 83 Q HA 0.345 4.716 4.340 0.050 0.000 0.318 83 Q C -2.824 173.215 176.000 0.064 0.000 0.907 83 Q CA -2.000 53.688 55.803 -0.191 0.000 0.882 83 Q CB 1.787 30.499 28.738 -0.043 0.000 1.386 83 Q HN 0.382 nan 8.270 nan 0.000 0.408 84 P HA 0.346 nan 4.420 nan 0.000 0.274 84 P C -0.918 176.555 177.300 0.289 0.000 1.237 84 P CA -0.245 62.962 63.100 0.179 0.000 0.793 84 P CB 1.355 33.165 31.700 0.184 0.000 0.977 85 A N 2.368 125.314 122.820 0.209 0.000 2.465 85 A HA 0.493 4.843 4.320 0.050 0.000 0.292 85 A C -1.409 176.257 177.584 0.137 0.000 1.041 85 A CA -0.650 51.474 52.037 0.144 0.000 0.718 85 A CB 0.875 19.919 19.000 0.074 0.000 1.266 85 A HN 0.554 nan 8.150 nan 0.000 0.403 86 L N 3.798 125.089 121.223 0.114 0.000 2.264 86 L HA 0.537 4.907 4.340 0.050 0.000 0.287 86 L C -1.032 175.765 176.870 -0.122 0.000 1.039 86 L CA -0.676 54.226 54.840 0.104 0.000 0.829 86 L CB 1.053 43.267 42.059 0.258 0.000 1.211 86 L HN 0.479 nan 8.230 nan 0.000 0.427 87 V N 5.669 125.554 119.914 -0.048 0.000 2.339 87 V HA 0.104 4.254 4.120 0.050 0.000 0.261 87 V C -0.423 175.613 176.094 -0.097 0.000 1.058 87 V CA -0.299 61.905 62.300 -0.159 0.000 0.897 87 V CB 0.396 32.176 31.823 -0.071 0.000 1.052 87 V HN 0.489 nan 8.190 nan 0.000 0.480 88 Y N 5.639 125.657 120.300 -0.470 0.000 2.320 88 Y HA 0.598 5.176 4.550 0.048 0.000 0.334 88 Y C -0.603 175.132 175.900 -0.275 0.000 1.055 88 Y CA -1.242 56.703 58.100 -0.259 0.000 1.143 88 Y CB 1.228 39.484 38.460 -0.340 0.000 1.193 88 Y HN 0.528 nan 8.280 nan 0.000 0.477 89 F N 8.084 127.488 119.950 -0.911 0.000 2.382 89 F HA 0.434 4.991 4.527 0.049 0.000 0.361 89 F C -2.157 173.266 175.800 -0.628 0.000 1.109 89 F CA -2.322 55.309 58.000 -0.616 0.000 1.031 89 F CB 1.010 39.718 39.000 -0.486 0.000 1.234 89 F HN 0.450 nan 8.300 nan 0.000 0.445 90 P HA 0.182 nan 4.420 nan 0.000 0.273 90 P C -2.600 174.805 177.300 0.174 0.000 1.250 90 P CA -1.510 61.655 63.100 0.109 0.000 0.793 90 P CB -0.031 31.812 31.700 0.237 0.000 1.011 91 P HA 0.267 nan 4.420 nan 0.000 0.266 91 P C 0.149 177.479 177.300 0.050 0.000 1.186 91 P CA 1.086 64.226 63.100 0.067 0.000 0.767 91 P CB -0.025 31.697 31.700 0.035 0.000 0.820 92 G N 0.140 108.918 108.800 -0.036 0.000 2.350 92 G HA2 0.287 4.277 3.960 0.050 0.000 0.304 92 G HA3 0.287 4.277 3.960 0.050 0.000 0.304 92 G C -1.574 173.142 174.900 -0.306 0.000 1.421 92 G CA -0.666 44.266 45.100 -0.280 0.000 0.934 92 G HN 0.386 nan 8.290 nan 0.000 0.632 93 T N 1.047 115.383 114.554 -0.363 0.000 2.758 93 T HA 0.574 4.954 4.350 0.050 0.000 0.285 93 T C -1.179 173.335 174.700 -0.311 0.000 0.981 93 T CA 0.023 61.997 62.100 -0.211 0.000 0.965 93 T CB 0.706 69.507 68.868 -0.111 0.000 0.927 93 T HN 0.374 nan 8.240 nan 0.000 0.448 94 Y N 2.355 122.685 120.300 0.049 0.000 2.478 94 Y HA 0.366 4.947 4.550 0.052 0.000 0.329 94 Y C 0.658 176.590 175.900 0.053 0.000 0.967 94 Y CA -0.992 57.155 58.100 0.078 0.000 1.255 94 Y CB 0.955 39.509 38.460 0.156 0.000 1.103 94 Y HN 0.424 nan 8.280 nan 0.000 0.497 95 K N 3.936 124.423 120.400 0.144 0.000 2.379 95 K HA 0.429 4.779 4.320 0.050 0.000 0.284 95 K C -0.630 176.057 176.600 0.145 0.000 1.044 95 K CA -0.251 56.102 56.287 0.110 0.000 0.974 95 K CB 0.440 32.983 32.500 0.071 0.000 0.962 95 K HN 0.577 nan 8.250 nan 0.000 0.474 96 V N 1.080 121.087 119.914 0.154 0.000 2.962 96 V HA 0.486 4.636 4.120 0.050 0.000 0.313 96 V C 0.073 176.335 176.094 0.279 0.000 1.099 96 V CA -0.119 62.297 62.300 0.193 0.000 0.971 96 V CB 1.903 33.846 31.823 0.201 0.000 1.028 96 V HN 0.835 nan 8.190 nan 0.000 0.430 97 S N 1.014 116.823 115.700 0.182 0.000 2.632 97 S HA 0.445 4.945 4.470 0.050 0.000 0.237 97 S C 0.497 174.871 174.600 -0.378 0.000 1.037 97 S CA 0.359 58.590 58.200 0.052 0.000 1.009 97 S CB -0.238 62.964 63.200 0.003 0.000 0.974 97 S HN 1.877 nan 8.310 nan 0.000 0.544 98 S N 0.323 115.821 115.700 -0.336 0.000 2.625 98 S HA 0.720 5.220 4.470 0.050 0.000 0.271 98 S C -3.538 171.005 174.600 -0.094 0.000 1.161 98 S CA -1.517 56.326 58.200 -0.595 0.000 0.820 98 S CB 0.642 63.660 63.200 -0.303 0.000 1.137 98 S HN -0.011 nan 8.310 nan 0.000 0.470 99 P HA 0.247 nan 4.420 nan 0.000 0.267 99 P C -0.883 176.497 177.300 0.134 0.000 1.205 99 P CA -0.128 63.110 63.100 0.230 0.000 0.765 99 P CB 0.094 31.902 31.700 0.181 0.000 0.828 100 L N 3.416 124.724 121.223 0.141 0.000 2.369 100 L HA 0.141 4.511 4.340 0.050 0.000 0.279 100 L C 0.220 177.138 176.870 0.079 0.000 1.108 100 L CA -0.504 54.387 54.840 0.086 0.000 0.852 100 L CB 0.237 42.332 42.059 0.060 0.000 1.169 100 L HN 0.117 nan 8.230 nan 0.000 0.452 101 V N 5.009 124.959 119.914 0.060 0.000 2.389 101 V HA 0.058 4.208 4.120 0.050 0.000 0.264 101 V C 0.422 176.563 176.094 0.078 0.000 1.049 101 V CA -0.563 61.760 62.300 0.039 0.000 0.932 101 V CB 1.330 33.145 31.823 -0.014 0.000 1.011 101 V HN 0.549 nan 8.190 nan 0.000 0.475 102 V N 5.679 125.654 119.914 0.101 0.000 2.338 102 V HA 0.443 4.593 4.120 0.050 0.000 0.255 102 V C 0.200 176.388 176.094 0.157 0.000 1.082 102 V CA -0.445 61.932 62.300 0.128 0.000 0.951 102 V CB 0.064 31.981 31.823 0.155 0.000 1.102 102 V HN 0.598 nan 8.190 nan 0.000 0.489 103 L N 3.989 125.326 121.223 0.190 0.000 2.482 103 L HA 0.225 4.595 4.340 0.050 0.000 0.273 103 L C 0.604 177.599 176.870 0.210 0.000 1.228 103 L CA -0.420 54.599 54.840 0.299 0.000 0.827 103 L CB 0.125 42.356 42.059 0.288 0.000 1.099 103 L HN 0.664 nan 8.230 nan 0.000 0.494 104 Y N 2.416 122.737 120.300 0.034 0.000 2.996 104 Y HA -0.264 4.321 4.550 0.059 0.000 0.347 104 Y C 1.058 176.956 175.900 -0.003 0.000 1.276 104 Y CA 1.446 59.431 58.100 -0.192 0.000 1.601 104 Y CB -0.106 38.150 38.460 -0.340 0.000 1.193 104 Y HN 0.563 nan 8.280 nan 0.000 0.582 105 Q N 2.049 121.819 119.800 -0.049 0.000 2.493 105 Q HA -0.226 4.144 4.340 0.050 0.000 0.278 105 Q C -1.077 175.003 176.000 0.133 0.000 1.198 105 Q CA 0.899 56.762 55.803 0.100 0.000 0.880 105 Q CB -1.199 27.596 28.738 0.094 0.000 1.260 105 Q HN 0.754 nan 8.270 nan 0.000 0.470 106 T N 1.013 115.645 114.554 0.129 0.000 2.829 106 T HA 0.528 4.908 4.350 0.050 0.000 0.280 106 T C -0.548 174.263 174.700 0.186 0.000 0.999 106 T CA -0.547 61.643 62.100 0.150 0.000 0.983 106 T CB 1.727 70.675 68.868 0.134 0.000 0.968 106 T HN 0.191 nan 8.240 nan 0.000 0.446 107 Q N 2.076 121.995 119.800 0.199 0.000 2.331 107 Q HA 0.503 4.873 4.340 0.050 0.000 0.267 107 Q C -0.938 175.197 176.000 0.225 0.000 1.006 107 Q CA -0.660 55.281 55.803 0.230 0.000 0.818 107 Q CB 2.060 30.951 28.738 0.254 0.000 1.276 107 Q HN 0.503 nan 8.270 nan 0.000 0.450 108 L N 4.702 126.069 121.223 0.239 0.000 2.264 108 L HA 0.545 4.915 4.340 0.050 0.000 0.289 108 L C -0.466 176.664 176.870 0.433 0.000 1.044 108 L CA -0.350 54.690 54.840 0.334 0.000 0.807 108 L CB 0.474 42.614 42.059 0.135 0.000 1.192 108 L HN 0.490 nan 8.230 nan 0.000 0.425 109 I N 2.575 123.404 120.570 0.432 0.000 2.478 109 I HA 0.422 4.622 4.170 0.050 0.000 0.287 109 I C 0.461 176.479 176.117 -0.165 0.000 1.042 109 I CA -0.478 60.931 61.300 0.181 0.000 1.067 109 I CB 2.074 40.241 38.000 0.278 0.000 1.233 109 I HN 0.578 nan 8.210 nan 0.000 0.431 110 G N 3.277 111.642 108.800 -0.725 0.000 2.451 110 G HA2 0.167 4.157 3.960 0.050 0.000 0.303 110 G HA3 0.167 4.157 3.960 0.050 0.000 0.303 110 G C -0.570 173.964 174.900 -0.610 0.000 1.166 110 G CA -0.322 44.207 45.100 -0.951 0.000 0.884 110 G HN 0.657 nan 8.290 nan 0.000 0.514 111 D N 0.734 120.849 120.400 -0.475 0.000 2.487 111 D HA 0.138 4.808 4.640 0.050 0.000 0.243 111 D C 1.169 177.186 176.300 -0.472 0.000 1.154 111 D CA 0.355 54.221 54.000 -0.222 0.000 0.876 111 D CB 1.342 42.135 40.800 -0.013 0.000 1.161 111 D HN 0.286 nan 8.370 nan 0.000 0.478 112 A N 4.615 126.904 122.820 -0.885 0.000 2.238 112 A HA 0.001 4.351 4.320 0.050 0.000 0.210 112 A C 1.885 179.260 177.584 -0.348 0.000 1.179 112 A CA 0.311 51.897 52.037 -0.751 0.000 0.827 112 A CB 0.155 18.508 19.000 -1.078 0.000 0.856 112 A HN 0.603 nan 8.150 nan 0.000 0.488 113 K N -0.589 119.707 120.400 -0.173 0.000 2.186 113 K HA 0.049 4.399 4.320 0.050 0.000 0.202 113 K C -0.330 176.242 176.600 -0.048 0.000 1.052 113 K CA 0.831 57.108 56.287 -0.018 0.000 0.965 113 K CB 0.063 32.629 32.500 0.109 0.000 0.746 113 K HN 0.298 nan 8.250 nan 0.000 0.457 114 N N 0.792 119.445 118.700 -0.078 0.000 2.727 114 N HA 0.172 4.942 4.740 0.050 0.000 0.252 114 N C -1.741 173.693 175.510 -0.126 0.000 1.283 114 N CA -0.295 52.712 53.050 -0.072 0.000 0.782 114 N CB 0.717 39.188 38.487 -0.025 0.000 1.199 114 N HN -0.116 nan 8.380 nan 0.000 0.520 115 L N 2.628 123.748 121.223 -0.171 0.000 2.601 115 L HA 0.116 4.486 4.340 0.050 0.000 0.277 115 L C -1.597 175.160 176.870 -0.188 0.000 1.219 115 L CA -0.673 54.020 54.840 -0.246 0.000 0.915 115 L CB -0.477 41.437 42.059 -0.243 0.000 1.160 115 L HN 0.371 nan 8.230 nan 0.000 0.494 116 P HA 0.117 nan 4.420 nan 0.000 0.272 116 P C -0.673 176.630 177.300 0.005 0.000 1.223 116 P CA -0.383 62.697 63.100 -0.033 0.000 0.784 116 P CB 0.540 32.279 31.700 0.066 0.000 0.923 117 T N 2.422 117.029 114.554 0.089 0.000 2.824 117 T HA 0.455 4.835 4.350 0.050 0.000 0.280 117 T C 0.057 174.832 174.700 0.126 0.000 0.995 117 T CA -0.457 61.670 62.100 0.046 0.000 1.009 117 T CB 0.380 69.243 68.868 -0.009 0.000 0.955 117 T HN 0.181 nan 8.240 nan 0.000 0.452 118 L N 3.847 125.079 121.223 0.013 0.000 2.262 118 L HA 0.483 4.853 4.340 0.050 0.000 0.288 118 L C -0.539 176.297 176.870 -0.056 0.000 1.035 118 L CA -0.915 53.910 54.840 -0.025 0.000 0.820 118 L CB 0.847 42.782 42.059 -0.208 0.000 1.204 118 L HN 0.351 nan 8.230 nan 0.000 0.424 119 L N 4.208 125.431 121.223 0.000 0.000 2.264 119 L HA 0.548 4.918 4.340 0.050 0.000 0.287 119 L C 0.503 177.363 176.870 -0.016 0.000 1.039 119 L CA -0.124 54.703 54.840 -0.021 0.000 0.829 119 L CB 1.107 43.168 42.059 0.003 0.000 1.211 119 L HN 0.656 nan 8.230 nan 0.000 0.427 120 A N 4.911 127.679 122.820 -0.087 0.000 2.524 120 A HA 0.564 4.914 4.320 0.050 0.000 0.250 120 A C 0.689 178.299 177.584 0.043 0.000 1.078 120 A CA 0.218 52.216 52.037 -0.066 0.000 0.761 120 A CB -0.267 18.567 19.000 -0.276 0.000 1.012 120 A HN 1.058 nan 8.150 nan 0.000 0.500 121 A N 4.861 127.765 122.820 0.139 0.000 2.466 121 A HA 0.495 4.845 4.320 0.050 0.000 0.238 121 A C -0.938 176.716 177.584 0.116 0.000 1.074 121 A CA -0.837 51.269 52.037 0.114 0.000 0.774 121 A CB -0.195 18.874 19.000 0.115 0.000 1.015 121 A HN 0.649 nan 8.150 nan 0.000 0.498 122 P HA -0.143 nan 4.420 nan 0.000 0.218 122 P C 0.613 177.966 177.300 0.089 0.000 1.148 122 P CA 1.406 64.552 63.100 0.077 0.000 0.822 122 P CB -0.157 31.575 31.700 0.053 0.000 0.784 123 N N -0.609 118.137 118.700 0.077 0.000 2.362 123 N HA -0.071 4.699 4.740 0.050 0.000 0.211 123 N C 0.005 175.555 175.510 0.066 0.000 1.170 123 N CA -0.571 52.514 53.050 0.058 0.000 0.828 123 N CB -1.223 37.277 38.487 0.021 0.000 1.034 123 N HN 0.060 nan 8.380 nan 0.000 0.475 124 F N 2.021 121.972 119.950 0.001 0.000 2.623 124 F HA -0.025 4.532 4.527 0.050 0.000 0.386 124 F C 0.605 176.402 175.800 -0.005 0.000 1.068 124 F CA 0.552 58.550 58.000 -0.003 0.000 1.265 124 F CB 0.459 39.452 39.000 -0.013 0.000 1.026 124 F HN 0.031 nan 8.300 nan 0.000 0.568 125 S N 4.145 119.454 115.700 -0.652 0.000 2.536 125 S HA 0.846 5.346 4.470 0.050 0.000 0.287 125 S C -0.405 173.855 174.600 -0.568 0.000 1.101 125 S CA 0.227 58.207 58.200 -0.366 0.000 0.950 125 S CB 1.179 64.238 63.200 -0.235 0.000 1.056 125 S HN 1.586 nan 8.310 nan 0.000 0.481 126 G N 2.881 111.600 108.800 -0.136 0.000 2.355 126 G HA2 0.003 3.994 3.960 0.050 0.000 0.619 126 G HA3 0.003 3.994 3.960 0.050 0.000 0.619 126 G C 0.257 175.270 174.900 0.187 0.000 1.337 126 G CA -0.342 44.748 45.100 -0.017 0.000 0.993 126 G HN 0.988 nan 8.290 nan 0.000 0.599 127 I N 0.419 121.064 120.570 0.124 0.000 2.315 127 I HA 0.370 4.570 4.170 0.050 0.000 0.248 127 I C 1.124 177.315 176.117 0.123 0.000 1.117 127 I CA 2.238 63.570 61.300 0.053 0.000 1.404 127 I CB -0.161 37.818 38.000 -0.035 0.000 1.071 127 I HN 1.603 nan 8.210 nan 0.000 0.419 128 A N -1.095 121.873 122.820 0.247 0.000 2.583 128 A HA 0.262 4.612 4.320 0.050 0.000 0.292 128 A C -0.038 177.660 177.584 0.190 0.000 1.045 128 A CA -0.596 51.542 52.037 0.169 0.000 0.672 128 A CB 0.283 19.429 19.000 0.243 0.000 1.283 128 A HN 0.139 nan 8.150 nan 0.000 0.419 129 L N 0.352 121.500 121.223 -0.124 0.000 2.083 129 L HA 0.142 4.513 4.340 0.050 0.000 0.209 129 L C 0.084 176.984 176.870 0.049 0.000 1.083 129 L CA 1.521 56.273 54.840 -0.147 0.000 0.752 129 L CB -0.138 41.688 42.059 -0.388 0.000 0.899 129 L HN 0.623 nan 8.230 nan 0.000 0.433 130 I N -0.308 120.287 120.570 0.042 0.000 2.406 130 I HA 0.212 4.412 4.170 0.050 0.000 0.290 130 I C -1.022 175.212 176.117 0.195 0.000 0.999 130 I CA -0.502 60.839 61.300 0.068 0.000 1.124 130 I CB 1.625 39.604 38.000 -0.035 0.000 1.289 130 I HN -0.122 nan 8.210 nan 0.000 0.441 131 D N 4.979 125.496 120.400 0.194 0.000 2.471 131 D HA 0.474 5.144 4.640 0.050 0.000 0.245 131 D C 0.345 176.741 176.300 0.160 0.000 1.116 131 D CA -0.389 53.760 54.000 0.249 0.000 0.853 131 D CB 2.117 43.045 40.800 0.212 0.000 1.123 131 D HN 0.594 nan 8.370 nan 0.000 0.540 132 A N 3.353 126.239 122.820 0.109 0.000 2.132 132 A HA 0.105 4.455 4.320 0.050 0.000 0.213 132 A C 0.592 178.151 177.584 -0.042 0.000 1.154 132 A CA 0.289 52.318 52.037 -0.013 0.000 0.753 132 A CB 0.315 19.187 19.000 -0.213 0.000 0.826 132 A HN 0.405 nan 8.150 nan 0.000 0.469 133 D N -0.651 119.695 120.400 -0.091 0.000 2.527 133 D HA 0.303 4.973 4.640 0.050 0.000 0.242 133 D C -3.223 173.000 176.300 -0.128 0.000 1.285 133 D CA -1.727 52.212 54.000 -0.101 0.000 0.886 133 D CB 1.147 41.874 40.800 -0.121 0.000 1.402 133 D HN -0.072 nan 8.370 nan 0.000 0.528 134 P HA 0.052 nan 4.420 nan 0.000 0.265 134 P C -0.638 176.543 177.300 -0.199 0.000 1.193 134 P CA 0.243 63.185 63.100 -0.264 0.000 0.765 134 P CB 0.197 31.535 31.700 -0.604 0.000 0.823 135 Y N 2.055 122.365 120.300 0.017 0.000 2.299 135 Y HA 0.354 4.935 4.550 0.051 0.000 0.326 135 Y C 0.732 176.660 175.900 0.047 0.000 1.164 135 Y CA -0.042 58.084 58.100 0.043 0.000 1.234 135 Y CB 0.613 39.092 38.460 0.032 0.000 1.219 135 Y HN 0.140 nan 8.280 nan 0.000 0.497 136 L N 2.296 123.648 121.223 0.215 0.000 2.319 136 L HA 0.717 5.087 4.340 0.050 0.000 0.267 136 L C 0.007 176.949 176.870 0.121 0.000 1.011 136 L CA -1.586 53.340 54.840 0.143 0.000 0.818 136 L CB 1.403 43.526 42.059 0.107 0.000 1.316 136 L HN 0.690 nan 8.230 nan 0.000 0.432 137 A N 0.885 123.751 122.820 0.077 0.000 2.608 137 A HA 0.326 4.676 4.320 0.050 0.000 0.239 137 A C 1.242 178.859 177.584 0.054 0.000 1.018 137 A CA 1.069 53.137 52.037 0.052 0.000 0.766 137 A CB -0.725 18.295 19.000 0.033 0.000 0.928 137 A HN 1.264 nan 8.150 nan 0.000 0.512 138 G N 1.043 109.871 108.800 0.047 0.000 2.176 138 G HA2 0.183 4.173 3.960 0.050 0.000 0.232 138 G HA3 0.183 4.173 3.960 0.050 0.000 0.232 138 G C 1.682 176.622 174.900 0.067 0.000 0.986 138 G CA 0.840 45.967 45.100 0.044 0.000 0.643 138 G HN 2.877 nan 8.290 nan 0.000 0.522 139 G N -0.630 108.234 108.800 0.107 0.000 2.160 139 G HA2 0.187 4.177 3.960 0.050 0.000 0.251 139 G HA3 0.187 4.177 3.960 0.050 0.000 0.251 139 G C 0.847 175.866 174.900 0.199 0.000 1.008 139 G CA 1.169 46.380 45.100 0.185 0.000 0.724 139 G HN 2.309 nan 8.290 nan 0.000 0.514 140 A N -0.894 122.007 122.820 0.134 0.000 2.366 140 A HA 0.733 5.083 4.320 0.050 0.000 0.249 140 A C 0.475 178.099 177.584 0.067 0.000 1.084 140 A CA 0.381 52.466 52.037 0.080 0.000 0.794 140 A CB 0.486 19.511 19.000 0.041 0.000 1.034 140 A HN 0.630 nan 8.150 nan 0.000 0.491 141 Q N -1.008 118.780 119.800 -0.020 0.000 2.484 141 Q HA 0.350 4.720 4.340 0.050 0.000 0.285 141 Q C -0.390 175.575 176.000 -0.059 0.000 1.097 141 Q CA -0.936 54.807 55.803 -0.100 0.000 0.802 141 Q CB 0.928 29.501 28.738 -0.275 0.000 1.444 141 Q HN 0.685 nan 8.270 nan 0.000 0.429 142 Y N -0.057 119.999 120.300 -0.407 0.000 2.102 142 Y HA -0.211 4.369 4.550 0.049 0.000 0.280 142 Y C 0.394 175.869 175.900 -0.709 0.000 1.178 142 Y CA 1.385 59.062 58.100 -0.705 0.000 1.146 142 Y CB -0.066 37.629 38.460 -1.276 0.000 0.968 142 Y HN 0.439 nan 8.280 nan 0.000 0.504 143 Y N -2.907 117.454 120.300 0.101 0.000 2.499 143 Y HA 0.495 5.078 4.550 0.055 0.000 0.347 143 Y C -0.267 175.599 175.900 -0.057 0.000 0.987 143 Y CA -2.367 55.740 58.100 0.011 0.000 1.044 143 Y CB 0.653 39.140 38.460 0.045 0.000 1.245 143 Y HN -0.505 nan 8.280 nan 0.000 0.461 144 V N 4.212 124.178 119.914 0.086 0.000 2.529 144 V HA -0.072 4.078 4.120 0.050 0.000 0.292 144 V C 1.234 177.296 176.094 -0.053 0.000 1.028 144 V CA -0.128 62.170 62.300 -0.004 0.000 1.074 144 V CB 0.324 32.129 31.823 -0.029 0.000 0.958 144 V HN 1.016 nan 8.190 nan 0.000 0.481 145 N N 4.903 123.568 118.700 -0.059 0.000 2.120 145 N HA -0.244 4.526 4.740 0.050 0.000 0.188 145 N C 1.247 176.662 175.510 -0.159 0.000 1.024 145 N CA 1.356 54.346 53.050 -0.100 0.000 0.852 145 N CB -0.010 38.445 38.487 -0.053 0.000 1.003 145 N HN 0.753 nan 8.380 nan 0.000 0.424 146 Q N 0.097 119.832 119.800 -0.109 0.000 2.500 146 Q HA 0.134 4.504 4.340 0.050 0.000 0.213 146 Q C 0.920 176.831 176.000 -0.148 0.000 0.974 146 Q CA 0.567 56.324 55.803 -0.077 0.000 0.918 146 Q CB -0.066 28.674 28.738 0.002 0.000 0.980 146 Q HN 0.453 nan 8.270 nan 0.000 0.505 147 N N -0.044 118.429 118.700 -0.377 0.000 2.187 147 N HA 0.023 4.793 4.740 0.050 0.000 0.212 147 N C -0.477 174.256 175.510 -1.295 0.000 1.152 147 N CA 0.031 52.586 53.050 -0.825 0.000 0.872 147 N CB 0.424 38.730 38.487 -0.302 0.000 1.025 147 N HN 0.069 nan 8.380 nan 0.000 0.514 148 N N 0.938 119.092 118.700 -0.909 0.000 3.083 148 N HA 0.129 4.899 4.740 0.050 0.000 0.260 148 N C -1.084 173.935 175.510 -0.819 0.000 1.163 148 N CA -0.128 52.505 53.050 -0.695 0.000 1.060 148 N CB -0.385 37.863 38.487 -0.398 0.000 1.345 148 N HN -0.072 nan 8.380 nan 0.000 0.515 149 F N 1.161 120.659 119.950 -0.753 0.000 2.410 149 F HA 0.484 5.042 4.527 0.052 0.000 0.324 149 F C 0.574 175.757 175.800 -1.028 0.000 1.093 149 F CA -1.274 56.113 58.000 -1.021 0.000 1.028 149 F CB 0.033 38.165 39.000 -1.447 0.000 1.309 149 F HN 0.027 nan 8.300 nan 0.000 0.499 150 F N -0.228 119.635 119.950 -0.144 0.000 2.460 150 F HA -0.102 4.450 4.527 0.042 0.000 0.328 150 F C -0.030 175.685 175.800 -0.142 0.000 1.081 150 F CA -0.201 57.739 58.000 -0.101 0.000 1.136 150 F CB -1.675 37.289 39.000 -0.059 0.000 1.527 150 F HN 0.437 nan 8.300 nan 0.000 0.806 151 R N 0.893 121.465 120.500 0.119 0.000 2.566 151 R HA 0.812 5.182 4.340 0.050 0.000 0.271 151 R C -1.157 175.387 176.300 0.406 0.000 1.071 151 R CA -0.755 55.441 56.100 0.160 0.000 0.915 151 R CB 2.385 32.623 30.300 -0.104 0.000 1.228 151 R HN 0.299 nan 8.270 nan 0.000 0.449 152 S N 1.892 117.846 115.700 0.423 0.000 2.536 152 S HA 0.747 5.247 4.470 0.050 0.000 0.271 152 S C -1.733 173.017 174.600 0.250 0.000 1.134 152 S CA -0.527 57.905 58.200 0.388 0.000 0.897 152 S CB 1.527 64.913 63.200 0.310 0.000 1.094 152 S HN 0.234 nan 8.310 nan 0.000 0.473 153 V N 5.016 124.976 119.914 0.076 0.000 2.483 153 V HA 0.635 4.785 4.120 0.050 0.000 0.297 153 V C -0.707 175.405 176.094 0.030 0.000 1.027 153 V CA -0.673 61.615 62.300 -0.019 0.000 0.855 153 V CB 1.619 33.261 31.823 -0.302 0.000 0.995 153 V HN 0.873 nan 8.190 nan 0.000 0.424 154 R N 4.134 124.729 120.500 0.159 0.000 2.574 154 R HA 0.607 4.977 4.340 0.050 0.000 0.288 154 R C -0.810 175.402 176.300 -0.146 0.000 1.004 154 R CA -0.937 55.171 56.100 0.013 0.000 0.895 154 R CB 1.543 31.816 30.300 -0.045 0.000 1.191 154 R HN 0.691 nan 8.270 nan 0.000 0.444 155 N N 1.404 119.958 118.700 -0.244 0.000 2.846 155 N HA -0.151 4.619 4.740 0.050 0.000 0.249 155 N C -1.511 173.533 175.510 -0.776 0.000 1.090 155 N CA 0.835 53.605 53.050 -0.466 0.000 0.674 155 N CB -1.121 37.038 38.487 -0.548 0.000 0.938 155 N HN 0.423 nan 8.380 nan 0.000 0.559 156 F N -0.950 118.784 119.950 -0.361 0.000 2.588 156 F HA 0.587 5.141 4.527 0.045 0.000 0.314 156 F C 0.566 176.135 175.800 -0.384 0.000 1.069 156 F CA -0.955 56.809 58.000 -0.393 0.000 0.931 156 F CB 1.509 40.219 39.000 -0.483 0.000 1.260 156 F HN -0.194 nan 8.300 nan 0.000 0.465 157 V N 3.830 123.663 119.914 -0.134 0.000 2.383 157 V HA 0.340 4.490 4.120 0.050 0.000 0.275 157 V C -0.063 175.907 176.094 -0.207 0.000 1.036 157 V CA -0.516 61.669 62.300 -0.190 0.000 0.889 157 V CB 1.116 32.855 31.823 -0.140 0.000 0.985 157 V HN 0.473 nan 8.190 nan 0.000 0.459 158 I N 4.405 124.766 120.570 -0.349 0.000 2.306 158 I HA 0.338 4.538 4.170 0.050 0.000 0.288 158 I C -0.459 175.532 176.117 -0.209 0.000 1.036 158 I CA -0.151 60.951 61.300 -0.330 0.000 1.221 158 I CB 1.217 38.922 38.000 -0.492 0.000 1.385 158 I HN 0.510 nan 8.210 nan 0.000 0.472 159 D N 7.362 127.665 120.400 -0.162 0.000 2.441 159 D HA 0.307 4.977 4.640 0.050 0.000 0.231 159 D C 0.370 176.580 176.300 -0.150 0.000 1.073 159 D CA -0.289 53.640 54.000 -0.118 0.000 0.850 159 D CB 1.315 42.066 40.800 -0.082 0.000 1.062 159 D HN 0.428 nan 8.370 nan 0.000 0.524 160 L N 3.165 124.273 121.223 -0.192 0.000 2.607 160 L HA 0.245 4.615 4.340 0.050 0.000 0.228 160 L C 2.068 178.764 176.870 -0.290 0.000 1.123 160 L CA -0.078 54.548 54.840 -0.358 0.000 0.890 160 L CB 0.172 41.868 42.059 -0.604 0.000 1.103 160 L HN 0.185 nan 8.230 nan 0.000 0.468 161 R N 0.103 120.561 120.500 -0.071 0.000 2.235 161 R HA -0.092 4.278 4.340 0.050 0.000 0.213 161 R C 1.636 177.988 176.300 0.087 0.000 1.059 161 R CA 0.767 56.916 56.100 0.082 0.000 0.997 161 R CB -0.014 30.321 30.300 0.058 0.000 0.884 161 R HN 0.488 nan 8.270 nan 0.000 0.462 162 Q N 0.040 119.860 119.800 0.033 0.000 2.425 162 Q HA 0.072 4.442 4.340 0.050 0.000 0.204 162 Q C -0.207 175.836 176.000 0.072 0.000 0.933 162 Q CA 0.155 55.986 55.803 0.047 0.000 0.939 162 Q CB 0.796 29.550 28.738 0.028 0.000 1.044 162 Q HN 0.055 nan 8.270 nan 0.000 0.513 163 V N 1.521 121.488 119.914 0.089 0.000 2.461 163 V HA 0.017 4.167 4.120 0.050 0.000 0.275 163 V C 1.094 177.325 176.094 0.229 0.000 1.047 163 V CA 0.214 62.595 62.300 0.135 0.000 0.955 163 V CB 1.518 33.389 31.823 0.080 0.000 0.988 163 V HN 0.251 nan 8.190 nan 0.000 0.471 164 S N 2.737 118.516 115.700 0.132 0.000 2.486 164 S HA 0.170 4.670 4.470 0.050 0.000 0.220 164 S C 1.050 175.683 174.600 0.055 0.000 1.011 164 S CA 0.285 58.531 58.200 0.077 0.000 0.921 164 S CB 0.208 63.432 63.200 0.040 0.000 0.785 164 S HN 0.864 nan 8.310 nan 0.000 0.517 165 G N 1.824 110.675 108.800 0.085 0.000 2.630 165 G HA2 0.494 4.484 3.960 0.050 0.000 0.223 165 G HA3 0.494 4.484 3.960 0.050 0.000 0.223 165 G C -0.284 174.680 174.900 0.106 0.000 1.434 165 G CA -0.283 44.853 45.100 0.060 0.000 1.057 165 G HN 0.492 nan 8.290 nan 0.000 0.570 166 S N -0.983 114.764 115.700 0.078 0.000 2.560 166 S HA 0.551 5.051 4.470 0.050 0.000 0.284 166 S C -0.039 174.637 174.600 0.126 0.000 1.327 166 S CA 0.174 58.435 58.200 0.103 0.000 1.055 166 S CB 1.244 64.460 63.200 0.026 0.000 0.868 166 S HN 1.589 nan 8.310 nan 0.000 0.506 167 A N 1.957 124.850 122.820 0.122 0.000 2.547 167 A HA 0.713 5.063 4.320 0.050 0.000 0.297 167 A C -0.453 177.091 177.584 -0.067 0.000 1.056 167 A CA -0.826 51.189 52.037 -0.037 0.000 0.688 167 A CB 1.621 20.486 19.000 -0.226 0.000 1.282 167 A HN 0.729 nan 8.150 nan 0.000 0.400 168 T N 1.187 115.684 114.554 -0.096 0.000 2.824 168 T HA 0.527 4.907 4.350 0.050 0.000 0.282 168 T C 1.327 175.990 174.700 -0.062 0.000 0.993 168 T CA 0.213 62.296 62.100 -0.029 0.000 0.967 168 T CB 1.774 70.665 68.868 0.038 0.000 0.960 168 T HN 1.088 nan 8.240 nan 0.000 0.441 169 G N 2.305 111.128 108.800 0.038 0.000 2.434 169 G HA2 0.153 4.143 3.960 0.050 0.000 0.214 169 G HA3 0.153 4.143 3.960 0.050 0.000 0.214 169 G C 0.263 175.221 174.900 0.097 0.000 1.202 169 G CA 0.574 45.718 45.100 0.073 0.000 0.788 169 G HN 0.679 nan 8.290 nan 0.000 0.539 170 I N -0.622 120.080 120.570 0.219 0.000 2.534 170 I HA 0.198 4.398 4.170 0.050 0.000 0.288 170 I C -1.012 175.335 176.117 0.383 0.000 1.077 170 I CA -0.744 60.701 61.300 0.241 0.000 1.051 170 I CB 2.545 40.640 38.000 0.157 0.000 1.234 170 I HN 0.186 nan 8.210 nan 0.000 0.425 171 H N 6.714 125.971 119.070 0.312 0.000 2.969 171 H HA 0.088 4.677 4.556 0.056 0.000 0.269 171 H C -1.065 174.500 175.328 0.395 0.000 1.223 171 H CA -0.327 55.940 56.048 0.365 0.000 1.400 171 H CB 0.674 30.638 29.762 0.337 0.000 1.500 171 H HN 0.701 nan 8.280 nan 0.000 0.486 172 W N 7.242 128.538 121.300 -0.006 0.000 1.844 172 W HA 0.122 4.795 4.660 0.021 0.000 0.310 172 W C -0.510 175.937 176.519 -0.120 0.000 0.760 172 W CA -0.714 56.601 57.345 -0.050 0.000 2.103 172 W CB 0.559 30.053 29.460 0.057 0.000 2.217 172 W HN 0.652 nan 8.180 nan 0.000 0.408 173 Q N 3.541 123.094 119.800 -0.411 0.000 2.566 173 Q HA 0.251 4.621 4.340 0.050 0.000 0.221 173 Q C -0.517 175.226 176.000 -0.428 0.000 1.195 173 Q CA 0.095 55.678 55.803 -0.365 0.000 0.967 173 Q CB 0.235 28.716 28.738 -0.429 0.000 1.337 173 Q HN 0.265 nan 8.270 nan 0.000 0.553 174 V N -1.016 118.633 119.914 -0.442 0.000 3.160 174 V HA 0.758 4.908 4.120 0.050 0.000 0.310 174 V C -0.428 175.462 176.094 -0.341 0.000 1.181 174 V CA -0.748 61.232 62.300 -0.533 0.000 1.047 174 V CB 2.060 33.306 31.823 -0.963 0.000 1.068 174 V HN 0.453 nan 8.190 nan 0.000 0.441 175 S N -0.353 115.115 115.700 -0.387 0.000 3.565 175 S HA 0.539 5.040 4.470 0.050 0.000 0.242 175 S C -0.414 173.894 174.600 -0.486 0.000 1.023 175 S CA -0.588 57.401 58.200 -0.352 0.000 1.300 175 S CB 0.731 63.813 63.200 -0.197 0.000 1.198 175 S HN 0.901 nan 8.310 nan 0.000 0.697 176 Q N 0.456 119.860 119.800 -0.659 0.000 2.407 176 Q HA 0.643 5.013 4.340 0.050 0.000 0.214 176 Q C 0.033 175.515 176.000 -0.864 0.000 1.043 176 Q CA 0.516 55.677 55.803 -1.071 0.000 0.983 176 Q CB 0.078 27.507 28.738 -2.182 0.000 1.211 176 Q HN 0.911 nan 8.270 nan 0.000 0.564 177 A N -0.225 122.189 122.820 -0.676 0.000 2.687 177 A HA -0.153 4.197 4.320 0.050 0.000 0.299 177 A C -0.032 177.540 177.584 -0.020 0.000 1.497 177 A CA 1.105 52.917 52.037 -0.374 0.000 0.751 177 A CB -2.522 16.242 19.000 -0.394 0.000 1.048 177 A HN 0.727 nan 8.150 nan 0.000 0.464 178 T N -2.026 112.549 114.554 0.035 0.000 2.909 178 T HA 0.860 5.240 4.350 0.050 0.000 0.299 178 T C -0.526 174.421 174.700 0.411 0.000 1.073 178 T CA 0.198 62.420 62.100 0.202 0.000 0.999 178 T CB 2.076 70.943 68.868 -0.002 0.000 1.098 178 T HN 1.926 nan 8.240 nan 0.000 0.477 179 S N 1.707 117.738 115.700 0.551 0.000 2.556 179 S HA 0.755 5.255 4.470 0.050 0.000 0.271 179 S C -1.232 173.583 174.600 0.358 0.000 1.135 179 S CA -1.110 57.401 58.200 0.518 0.000 0.858 179 S CB 1.219 64.722 63.200 0.504 0.000 1.114 179 S HN 0.831 nan 8.310 nan 0.000 0.468 180 L N 2.054 123.360 121.223 0.138 0.000 2.341 180 L HA 0.672 5.042 4.340 0.050 0.000 0.278 180 L C -1.029 175.853 176.870 0.020 0.000 1.005 180 L CA -0.739 54.029 54.840 -0.120 0.000 0.818 180 L CB 1.407 43.258 42.059 -0.347 0.000 1.259 180 L HN 0.651 nan 8.230 nan 0.000 0.418 181 I N 3.131 123.699 120.570 -0.002 0.000 2.534 181 I HA 0.277 4.477 4.170 0.050 0.000 0.288 181 I C -0.364 175.720 176.117 -0.055 0.000 1.077 181 I CA -0.700 60.616 61.300 0.028 0.000 1.051 181 I CB 1.917 39.930 38.000 0.023 0.000 1.234 181 I HN 0.691 nan 8.210 nan 0.000 0.425 182 N N 5.351 124.016 118.700 -0.059 0.000 2.681 182 N HA -0.166 4.604 4.740 0.050 0.000 0.259 182 N C -1.723 173.679 175.510 -0.181 0.000 1.066 182 N CA 0.759 53.741 53.050 -0.114 0.000 0.717 182 N CB -0.700 37.711 38.487 -0.127 0.000 0.885 182 N HN 0.572 nan 8.380 nan 0.000 0.547 183 I N 0.315 120.751 120.570 -0.224 0.000 2.498 183 I HA 0.404 4.604 4.170 0.050 0.000 0.290 183 I C -0.072 175.783 176.117 -0.437 0.000 1.032 183 I CA -1.174 59.899 61.300 -0.379 0.000 1.073 183 I CB 2.098 39.772 38.000 -0.544 0.000 1.251 183 I HN -0.118 nan 8.210 nan 0.000 0.426 184 V N 6.089 125.736 119.914 -0.444 0.000 2.370 184 V HA 0.387 4.537 4.120 0.050 0.000 0.283 184 V C -0.545 175.290 176.094 -0.431 0.000 1.023 184 V CA -0.505 61.590 62.300 -0.343 0.000 0.857 184 V CB 1.020 32.721 31.823 -0.204 0.000 0.985 184 V HN 0.376 nan 8.190 nan 0.000 0.443 185 F N 3.540 123.283 119.950 -0.345 0.000 2.391 185 F HA 0.470 5.023 4.527 0.044 0.000 0.359 185 F C 0.722 176.456 175.800 -0.111 0.000 1.122 185 F CA -0.469 57.391 58.000 -0.234 0.000 1.120 185 F CB 1.169 40.026 39.000 -0.239 0.000 1.142 185 F HN 0.374 nan 8.300 nan 0.000 0.483 186 Q N 5.835 125.657 119.800 0.036 0.000 2.372 186 Q HA 0.518 4.888 4.340 0.050 0.000 0.259 186 Q C -0.550 175.484 176.000 0.057 0.000 0.993 186 Q CA -0.119 55.705 55.803 0.034 0.000 0.854 186 Q CB 2.333 31.062 28.738 -0.015 0.000 1.231 186 Q HN 0.752 nan 8.270 nan 0.000 0.462 187 M N 0.311 119.980 119.600 0.116 0.000 2.644 187 M HA 0.340 4.850 4.480 0.050 0.000 0.304 187 M C 0.185 176.617 176.300 0.220 0.000 1.215 187 M CA -0.942 54.480 55.300 0.205 0.000 0.871 187 M CB 2.248 34.982 32.600 0.223 0.000 1.740 187 M HN 0.420 nan 8.290 nan 0.000 0.464 188 S N 0.450 116.366 115.700 0.360 0.000 2.560 188 S HA 0.091 4.591 4.470 0.050 0.000 0.284 188 S C 0.853 175.465 174.600 0.020 0.000 1.327 188 S CA 0.173 58.428 58.200 0.092 0.000 1.055 188 S CB 0.321 63.442 63.200 -0.131 0.000 0.868 188 S HN 0.804 nan 8.310 nan 0.000 0.506 189 T N 1.942 116.499 114.554 0.004 0.000 3.134 189 T HA 0.528 4.908 4.350 0.050 0.000 0.260 189 T C 0.444 175.124 174.700 -0.033 0.000 1.027 189 T CA 0.028 62.122 62.100 -0.010 0.000 0.913 189 T CB -0.116 68.755 68.868 0.005 0.000 1.046 189 T HN 0.799 nan 8.240 nan 0.000 0.553 190 A N 1.513 124.302 122.820 -0.053 0.000 2.511 190 A HA 0.663 5.013 4.320 0.050 0.000 0.242 190 A C 0.997 178.543 177.584 -0.065 0.000 1.069 190 A CA -0.232 51.771 52.037 -0.056 0.000 0.763 190 A CB -0.509 18.451 19.000 -0.067 0.000 1.001 190 A HN 0.916 nan 8.150 nan 0.000 0.498 191 A N 1.849 124.640 122.820 -0.049 0.000 2.580 191 A HA 0.443 4.793 4.320 0.050 0.000 0.244 191 A C 1.715 179.264 177.584 -0.059 0.000 1.045 191 A CA 0.959 52.967 52.037 -0.048 0.000 0.761 191 A CB -0.949 18.030 19.000 -0.036 0.000 0.962 191 A HN 2.789 nan 8.150 nan 0.000 0.512 192 G N 2.244 111.006 108.800 -0.063 0.000 2.179 192 G HA2 -0.330 3.660 3.960 0.050 0.000 0.260 192 G HA3 -0.330 3.660 3.960 0.050 0.000 0.260 192 G C 0.209 175.054 174.900 -0.092 0.000 0.977 192 G CA 0.693 45.753 45.100 -0.067 0.000 0.641 192 G HN 1.895 nan 8.290 nan 0.000 0.533 193 N N -0.409 118.215 118.700 -0.128 0.000 2.305 193 N HA 0.313 5.083 4.740 0.050 0.000 0.232 193 N C 0.421 175.825 175.510 -0.177 0.000 1.274 193 N CA 0.858 53.779 53.050 -0.214 0.000 0.870 193 N CB 0.222 38.511 38.487 -0.329 0.000 1.105 193 N HN 0.397 nan 8.380 nan 0.000 0.436 194 Q N -0.718 118.965 119.800 -0.195 0.000 2.182 194 Q HA 0.198 4.568 4.340 0.050 0.000 0.305 194 Q C -1.026 175.009 176.000 0.059 0.000 0.880 194 Q CA -0.287 55.479 55.803 -0.062 0.000 1.131 194 Q CB 0.169 28.889 28.738 -0.030 0.000 1.237 194 Q HN 0.652 nan 8.270 nan 0.000 0.447 195 H N 0.702 119.755 119.070 -0.028 0.000 2.582 195 H HA 0.315 4.901 4.556 0.050 0.000 0.345 195 H C -0.345 174.966 175.328 -0.027 0.000 1.104 195 H CA -0.383 55.653 56.048 -0.021 0.000 1.390 195 H CB 1.048 30.808 29.762 -0.004 0.000 1.461 195 H HN 0.109 nan 8.280 nan 0.000 0.551 196 Q N 2.142 122.002 119.800 0.101 0.000 2.285 196 Q HA 0.253 4.623 4.340 0.050 0.000 0.269 196 Q C 0.264 176.283 176.000 0.032 0.000 1.030 196 Q CA -0.655 55.164 55.803 0.026 0.000 0.788 196 Q CB 1.764 30.506 28.738 0.008 0.000 1.266 196 Q HN 0.890 nan 8.270 nan 0.000 0.438 197 G N 4.346 113.135 108.800 -0.018 0.000 2.434 197 G HA2 0.031 4.021 3.960 0.050 0.000 0.214 197 G HA3 0.031 4.021 3.960 0.050 0.000 0.214 197 G C 0.399 175.255 174.900 -0.074 0.000 1.202 197 G CA 0.538 45.578 45.100 -0.099 0.000 0.788 197 G HN 0.561 nan 8.290 nan 0.000 0.539 198 I N -0.834 119.688 120.570 -0.080 0.000 2.647 198 I HA 0.425 4.625 4.170 0.050 0.000 0.295 198 I C -1.677 174.522 176.117 0.136 0.000 1.078 198 I CA -0.952 60.386 61.300 0.064 0.000 1.048 198 I CB 2.871 40.900 38.000 0.047 0.000 1.239 198 I HN 0.045 nan 8.210 nan 0.000 0.421 199 F N 7.737 127.758 119.950 0.119 0.000 2.449 199 F HA 0.658 5.218 4.527 0.056 0.000 0.342 199 F C -0.770 175.194 175.800 0.274 0.000 1.127 199 F CA -0.868 57.218 58.000 0.143 0.000 0.975 199 F CB 1.453 40.550 39.000 0.161 0.000 1.146 199 F HN 0.353 nan 8.300 nan 0.000 0.444 200 M N 7.847 127.229 119.600 -0.363 0.000 2.122 200 M HA 0.241 4.751 4.480 0.050 0.000 0.269 200 M C -0.299 175.791 176.300 -0.350 0.000 0.954 200 M CA -0.229 54.941 55.300 -0.218 0.000 0.998 200 M CB 1.343 34.035 32.600 0.154 0.000 1.755 200 M HN 0.791 nan 8.290 nan 0.000 0.459 201 E N 2.724 122.694 120.200 -0.384 0.000 2.307 201 E HA 0.092 4.472 4.350 0.050 0.000 0.195 201 E C -0.521 176.221 176.600 0.238 0.000 0.975 201 E CA 0.670 56.993 56.400 -0.128 0.000 0.878 201 E CB 0.327 29.989 29.700 -0.065 0.000 0.845 201 E HN 0.826 nan 8.360 nan 0.000 0.488 202 N N -0.730 118.077 118.700 0.179 0.000 3.378 202 N HA 0.542 5.312 4.740 0.050 0.000 0.294 202 N C -0.156 175.420 175.510 0.111 0.000 1.544 202 N CA -0.154 53.082 53.050 0.309 0.000 0.872 202 N CB 1.144 39.857 38.487 0.376 0.000 1.670 202 N HN 0.168 nan 8.380 nan 0.000 0.551 203 G N -1.512 107.344 108.800 0.094 0.000 2.347 203 G HA2 0.408 4.398 3.960 0.050 0.000 0.341 203 G HA3 0.408 4.398 3.960 0.050 0.000 0.341 203 G C -1.666 173.184 174.900 -0.082 0.000 1.287 203 G CA -0.160 44.921 45.100 -0.031 0.000 0.984 203 G HN 1.392 nan 8.290 nan 0.000 0.526 204 S N -0.052 115.561 115.700 -0.144 0.000 2.279 204 S HA 0.641 5.141 4.470 0.050 0.000 0.176 204 S C 0.706 175.104 174.600 -0.337 0.000 1.554 204 S CA 0.841 58.932 58.200 -0.181 0.000 1.242 204 S CB -0.247 62.915 63.200 -0.064 0.000 1.163 204 S HN 1.932 nan 8.310 nan 0.000 0.449 205 G N 1.293 109.769 108.800 -0.540 0.000 2.535 205 G HA2 0.747 4.737 3.960 0.050 0.000 0.282 205 G HA3 0.747 4.737 3.960 0.050 0.000 0.282 205 G C 0.419 174.737 174.900 -0.970 0.000 1.350 205 G CA -0.169 44.253 45.100 -1.131 0.000 1.039 205 G HN 1.509 nan 8.290 nan 0.000 0.509 206 G N -2.460 105.714 108.800 -1.044 0.000 2.326 206 G HA2 0.451 4.441 3.960 0.050 0.000 0.478 206 G HA3 0.451 4.441 3.960 0.050 0.000 0.478 206 G C -1.514 172.813 174.900 -0.956 0.000 1.551 206 G CA -0.496 43.759 45.100 -1.409 0.000 0.946 206 G HN 1.227 nan 8.290 nan 0.000 0.671 207 F N 2.004 121.729 119.950 -0.376 0.000 2.540 207 F HA 0.880 5.364 4.527 -0.073 0.000 0.317 207 F C -0.584 175.430 175.800 0.358 0.000 1.104 207 F CA -1.044 56.982 58.000 0.044 0.000 0.913 207 F CB 1.857 40.897 39.000 0.067 0.000 1.170 207 F HN 0.878 nan 8.300 nan 0.000 0.450 208 L N 3.116 123.860 121.223 -0.799 0.000 2.469 208 L HA 1.143 5.513 4.340 0.050 0.000 0.256 208 L C -0.779 175.536 176.870 -0.925 0.000 1.006 208 L CA -0.614 53.849 54.840 -0.627 0.000 0.832 208 L CB 1.731 43.742 42.059 -0.081 0.000 1.421 208 L HN 0.895 nan 8.230 nan 0.000 0.410 209 G N -1.179 107.429 108.800 -0.319 0.000 2.506 209 G HA2 0.499 4.489 3.960 0.050 0.000 0.292 209 G HA3 0.499 4.489 3.960 0.050 0.000 0.292 209 G C -1.611 173.351 174.900 0.103 0.000 1.425 209 G CA -0.080 44.992 45.100 -0.047 0.000 0.788 209 G HN 0.915 nan 8.290 nan 0.000 0.490 210 D N -0.760 119.713 120.400 0.121 0.000 2.775 210 D HA -0.142 4.528 4.640 0.050 0.000 0.235 210 D C 0.105 176.407 176.300 0.004 0.000 1.120 210 D CA 1.139 55.186 54.000 0.077 0.000 0.708 210 D CB -1.343 39.512 40.800 0.093 0.000 1.084 210 D HN 0.460 nan 8.370 nan 0.000 0.434 211 L N -0.774 120.445 121.223 -0.007 0.000 2.333 211 L HA 0.733 5.103 4.340 0.050 0.000 0.269 211 L C 0.405 177.170 176.870 -0.175 0.000 1.010 211 L CA -1.170 53.603 54.840 -0.112 0.000 0.818 211 L CB 2.277 44.279 42.059 -0.096 0.000 1.306 211 L HN -0.257 nan 8.230 nan 0.000 0.430 212 V N 1.716 121.468 119.914 -0.270 0.000 2.531 212 V HA 0.447 4.597 4.120 0.050 0.000 0.301 212 V C -0.881 175.067 176.094 -0.244 0.000 1.034 212 V CA -0.390 61.797 62.300 -0.189 0.000 0.865 212 V CB 1.706 33.468 31.823 -0.102 0.000 0.995 212 V HN 0.401 nan 8.190 nan 0.000 0.424 213 F N 2.755 122.638 119.950 -0.112 0.000 2.426 213 F HA 0.500 5.053 4.527 0.043 0.000 0.348 213 F C 0.515 176.326 175.800 0.019 0.000 1.124 213 F CA -0.445 57.546 58.000 -0.015 0.000 1.008 213 F CB 1.240 40.167 39.000 -0.121 0.000 1.139 213 F HN 0.440 nan 8.300 nan 0.000 0.452 214 N N 2.780 121.593 118.700 0.189 0.000 2.558 214 N HA 0.612 5.382 4.740 0.050 0.000 0.242 214 N C 0.175 175.763 175.510 0.130 0.000 0.979 214 N CA -0.345 52.781 53.050 0.126 0.000 0.931 214 N CB 1.484 40.012 38.487 0.068 0.000 1.122 214 N HN 0.927 nan 8.380 nan 0.000 0.508 215 G N 1.397 110.269 108.800 0.120 0.000 2.512 215 G HA2 0.303 4.293 3.960 0.050 0.000 0.210 215 G HA3 0.303 4.293 3.960 0.050 0.000 0.210 215 G C -0.020 174.939 174.900 0.098 0.000 1.295 215 G CA -0.422 44.733 45.100 0.092 0.000 0.934 215 G HN 1.127 nan 8.290 nan 0.000 0.554 216 G N -1.429 107.419 108.800 0.079 0.000 2.699 216 G HA2 0.221 4.211 3.960 0.050 0.000 0.686 216 G HA3 0.221 4.211 3.960 0.050 0.000 0.686 216 G C 0.408 175.306 174.900 -0.003 0.000 1.301 216 G CA 0.750 45.892 45.100 0.071 0.000 0.816 216 G HN 2.128 nan 8.290 nan 0.000 0.595 217 N N -0.633 118.053 118.700 -0.024 0.000 2.171 217 N HA 0.071 4.841 4.740 0.050 0.000 0.184 217 N C 0.892 176.346 175.510 -0.094 0.000 1.021 217 N CA 1.772 54.785 53.050 -0.061 0.000 0.854 217 N CB -0.028 38.422 38.487 -0.062 0.000 0.994 217 N HN 0.656 nan 8.380 nan 0.000 0.426 218 I N -0.566 119.945 120.570 -0.099 0.000 2.512 218 I HA 0.296 4.496 4.170 0.050 0.000 0.287 218 I C 1.047 177.037 176.117 -0.212 0.000 1.069 218 I CA -0.835 60.353 61.300 -0.186 0.000 1.056 218 I CB 2.198 40.094 38.000 -0.173 0.000 1.229 218 I HN 0.036 nan 8.210 nan 0.000 0.429 219 G N 4.651 113.248 108.800 -0.338 0.000 2.434 219 G HA2 0.213 4.203 3.960 0.050 0.000 0.214 219 G HA3 0.213 4.203 3.960 0.050 0.000 0.214 219 G C 0.476 174.999 174.900 -0.628 0.000 1.202 219 G CA 0.874 45.733 45.100 -0.402 0.000 0.788 219 G HN 0.668 nan 8.290 nan 0.000 0.539 220 A N -0.728 121.624 122.820 -0.781 0.000 2.408 220 A HA 0.642 4.992 4.320 0.050 0.000 0.295 220 A C -0.574 176.523 177.584 -0.810 0.000 1.040 220 A CA -0.383 51.125 52.037 -0.882 0.000 0.707 220 A CB 1.367 19.503 19.000 -1.440 0.000 1.235 220 A HN 0.049 nan 8.150 nan 0.000 0.418 221 T N 2.968 117.243 114.554 -0.465 0.000 2.743 221 T HA 0.554 4.934 4.350 0.050 0.000 0.293 221 T C -1.054 173.475 174.700 -0.285 0.000 0.945 221 T CA 0.536 62.467 62.100 -0.282 0.000 1.030 221 T CB -0.355 68.551 68.868 0.063 0.000 0.912 221 T HN 0.309 nan 8.240 nan 0.000 0.483 222 F N 2.057 121.876 119.950 -0.218 0.000 2.477 222 F HA 0.638 5.209 4.527 0.072 0.000 0.335 222 F C 0.634 176.220 175.800 -0.357 0.000 1.130 222 F CA -1.457 56.371 58.000 -0.287 0.000 0.948 222 F CB 2.001 40.663 39.000 -0.564 0.000 1.154 222 F HN 0.635 nan 8.300 nan 0.000 0.439 223 G N 3.617 112.365 108.800 -0.087 0.000 2.739 223 G HA2 0.518 4.508 3.960 0.050 0.000 0.291 223 G HA3 0.518 4.508 3.960 0.050 0.000 0.291 223 G C -1.687 172.947 174.900 -0.443 0.000 1.478 223 G CA -0.516 44.323 45.100 -0.435 0.000 1.062 223 G HN 0.536 nan 8.290 nan 0.000 0.532 224 N N 1.107 119.260 118.700 -0.911 0.000 3.452 224 N HA 0.009 4.779 4.740 0.050 0.000 0.231 224 N C 0.797 175.839 175.510 -0.780 0.000 1.264 224 N CA -0.488 52.261 53.050 -0.503 0.000 0.928 224 N CB 1.456 40.033 38.487 0.150 0.000 1.547 224 N HN 0.445 nan 8.380 nan 0.000 0.509 225 Q N -0.058 119.332 119.800 -0.684 0.000 2.014 225 Q HA -0.164 4.206 4.340 0.050 0.000 0.207 225 Q C 0.091 175.981 176.000 -0.182 0.000 0.993 225 Q CA 1.791 57.169 55.803 -0.709 0.000 0.850 225 Q CB 0.000 28.320 28.738 -0.697 0.000 0.916 225 Q HN 0.664 nan 8.270 nan 0.000 0.417 226 Q N -1.829 117.852 119.800 -0.199 0.000 2.527 226 Q HA 0.477 4.848 4.340 0.050 0.000 0.280 226 Q C -1.614 173.872 176.000 -0.858 0.000 0.977 226 Q CA -0.547 55.052 55.803 -0.341 0.000 0.837 226 Q CB 1.098 29.808 28.738 -0.047 0.000 1.454 226 Q HN 0.149 nan 8.270 nan 0.000 0.387 227 F N -0.309 118.793 119.950 -1.413 0.000 2.719 227 F HA 0.533 5.147 4.527 0.144 0.000 0.309 227 F C -1.045 174.233 175.800 -0.870 0.000 1.138 227 F CA -0.212 56.968 58.000 -1.367 0.000 0.943 227 F CB 2.686 40.145 39.000 -2.568 0.000 1.304 227 F HN 0.596 nan 8.300 nan 0.000 0.445 228 T N 2.563 116.952 114.554 -0.276 0.000 2.856 228 T HA 0.720 5.100 4.350 0.050 0.000 0.283 228 T C -1.469 173.151 174.700 -0.133 0.000 1.008 228 T CA -0.644 61.411 62.100 -0.074 0.000 0.997 228 T CB 1.927 70.898 68.868 0.171 0.000 0.992 228 T HN 0.324 nan 8.240 nan 0.000 0.454 229 V N 3.146 122.967 119.914 -0.154 0.000 2.569 229 V HA 0.564 4.714 4.120 0.050 0.000 0.301 229 V C -0.389 175.741 176.094 0.060 0.000 1.044 229 V CA -0.795 61.381 62.300 -0.206 0.000 0.874 229 V CB 1.896 33.522 31.823 -0.329 0.000 1.002 229 V HN 0.716 nan 8.190 nan 0.000 0.424 230 R N 4.511 125.056 120.500 0.075 0.000 2.480 230 R HA 0.463 4.833 4.340 0.050 0.000 0.306 230 R C 0.048 176.494 176.300 0.243 0.000 0.958 230 R CA -0.420 55.855 56.100 0.291 0.000 0.861 230 R CB 0.768 31.380 30.300 0.520 0.000 1.171 230 R HN 0.796 nan 8.270 nan 0.000 0.445 231 N N 3.161 122.006 118.700 0.241 0.000 2.699 231 N HA -0.173 4.597 4.740 0.050 0.000 0.257 231 N C -2.063 173.537 175.510 0.151 0.000 1.077 231 N CA 0.454 53.615 53.050 0.185 0.000 0.702 231 N CB -0.646 37.941 38.487 0.166 0.000 0.886 231 N HN 0.386 nan 8.380 nan 0.000 0.549 232 L N 0.708 122.039 121.223 0.181 0.000 2.322 232 L HA 0.634 5.004 4.340 0.050 0.000 0.279 232 L C 0.667 177.515 176.870 -0.036 0.000 1.036 232 L CA -0.174 54.711 54.840 0.074 0.000 0.807 232 L CB 1.853 44.000 42.059 0.148 0.000 1.226 232 L HN 0.252 nan 8.230 nan 0.000 0.433 233 T N 2.817 117.254 114.554 -0.194 0.000 2.841 233 T HA 0.621 5.001 4.350 0.050 0.000 0.285 233 T C -0.971 173.561 174.700 -0.281 0.000 0.991 233 T CA -0.192 61.831 62.100 -0.128 0.000 0.966 233 T CB 0.504 69.359 68.868 -0.021 0.000 0.962 233 T HN 0.067 nan 8.240 nan 0.000 0.438 234 F N 2.566 122.583 119.950 0.112 0.000 2.460 234 F HA 0.479 5.033 4.527 0.046 0.000 0.341 234 F C 0.462 176.282 175.800 0.033 0.000 1.130 234 F CA -0.917 57.114 58.000 0.052 0.000 0.962 234 F CB 1.321 40.250 39.000 -0.118 0.000 1.171 234 F HN 0.439 nan 8.300 nan 0.000 0.436 235 N N 3.345 122.160 118.700 0.190 0.000 2.354 235 N HA 0.339 5.109 4.740 0.050 0.000 0.287 235 N C -0.810 174.756 175.510 0.094 0.000 1.016 235 N CA -0.820 52.297 53.050 0.112 0.000 0.871 235 N CB 0.979 39.512 38.487 0.077 0.000 1.299 235 N HN 0.489 nan 8.380 nan 0.000 0.482 236 N N -0.356 118.379 118.700 0.059 0.000 2.754 236 N HA -0.187 4.583 4.740 0.050 0.000 0.248 236 N C -1.025 174.501 175.510 0.028 0.000 1.093 236 N CA 0.675 53.746 53.050 0.035 0.000 0.699 236 N CB -1.110 37.398 38.487 0.034 0.000 1.016 236 N HN 0.608 nan 8.380 nan 0.000 0.552 237 A N -0.253 122.579 122.820 0.020 0.000 2.282 237 A HA 0.548 4.898 4.320 0.050 0.000 0.319 237 A C 1.270 178.819 177.584 -0.058 0.000 1.121 237 A CA -0.219 51.808 52.037 -0.017 0.000 0.836 237 A CB 0.785 19.761 19.000 -0.040 0.000 1.146 237 A HN 0.200 nan 8.150 nan 0.000 0.494 238 N N -0.412 118.242 118.700 -0.076 0.000 2.051 238 N HA -0.029 4.741 4.740 0.050 0.000 0.192 238 N C 0.064 175.493 175.510 -0.136 0.000 1.049 238 N CA 1.872 54.867 53.050 -0.092 0.000 0.845 238 N CB 0.051 38.485 38.487 -0.088 0.000 1.031 238 N HN 0.646 nan 8.380 nan 0.000 0.425 239 T N 0.038 114.480 114.554 -0.186 0.000 2.786 239 T HA 0.548 4.928 4.350 0.050 0.000 0.283 239 T C 0.755 175.213 174.700 -0.404 0.000 0.992 239 T CA -0.411 61.523 62.100 -0.276 0.000 0.954 239 T CB 1.743 70.450 68.868 -0.268 0.000 0.934 239 T HN 0.250 nan 8.240 nan 0.000 0.440 240 A N 3.993 126.488 122.820 -0.543 0.000 1.851 240 A HA 0.120 4.470 4.320 0.050 0.000 0.216 240 A C 0.712 177.534 177.584 -1.271 0.000 1.195 240 A CA 1.200 52.642 52.037 -0.993 0.000 0.622 240 A CB -0.395 17.918 19.000 -1.146 0.000 0.831 240 A HN 0.779 nan 8.150 nan 0.000 0.444 241 I N -0.376 119.541 120.570 -1.087 0.000 2.468 241 I HA 0.193 4.393 4.170 0.050 0.000 0.285 241 I C -0.416 175.322 176.117 -0.632 0.000 1.039 241 I CA -0.242 60.470 61.300 -0.979 0.000 1.074 241 I CB 1.811 39.126 38.000 -1.142 0.000 1.228 241 I HN 0.374 nan 8.210 nan 0.000 0.436 242 N N 6.349 124.745 118.700 -0.507 0.000 2.678 242 N HA 0.478 5.248 4.740 0.050 0.000 0.231 242 N C -0.730 174.618 175.510 -0.269 0.000 1.038 242 N CA -0.314 52.542 53.050 -0.324 0.000 0.932 242 N CB 0.990 39.333 38.487 -0.240 0.000 1.176 242 N HN 0.703 nan 8.380 nan 0.000 0.511 243 A N 4.457 127.122 122.820 -0.258 0.000 2.279 243 A HA 0.270 4.620 4.320 0.050 0.000 0.306 243 A C 1.309 178.814 177.584 -0.131 0.000 1.300 243 A CA -0.747 51.152 52.037 -0.229 0.000 0.925 243 A CB -0.104 18.724 19.000 -0.286 0.000 1.152 243 A HN 0.833 nan 8.150 nan 0.000 0.544 244 I N 0.571 121.107 120.570 -0.056 0.000 2.731 244 I HA 0.347 4.547 4.170 0.050 0.000 0.260 244 I C 0.500 176.775 176.117 0.262 0.000 1.138 244 I CA -0.232 61.128 61.300 0.099 0.000 1.461 244 I CB 0.152 38.252 38.000 0.166 0.000 1.128 244 I HN 0.749 nan 8.210 nan 0.000 0.438 245 W N 2.701 124.006 121.300 0.009 0.000 3.153 245 W HA 0.571 5.268 4.660 0.061 0.000 0.316 245 W C -2.196 174.362 176.519 0.065 0.000 1.255 245 W CA -0.983 56.403 57.345 0.067 0.000 1.192 245 W CB 0.461 29.977 29.460 0.094 0.000 1.400 245 W HN 0.249 nan 8.180 nan 0.000 0.568 246 N N -0.683 118.148 118.700 0.218 0.000 3.355 246 N HA 0.291 5.062 4.740 0.050 0.000 0.238 246 N C -0.701 175.133 175.510 0.540 0.000 1.466 246 N CA -0.554 52.483 53.050 -0.022 0.000 0.882 246 N CB 0.456 38.899 38.487 -0.074 0.000 1.406 246 N HN 0.360 nan 8.380 nan 0.000 0.500 247 W N -0.179 121.320 121.300 0.333 0.000 2.630 247 W HA 0.578 5.272 4.660 0.056 0.000 0.275 247 W C 0.597 177.311 176.519 0.326 0.000 1.192 247 W CA 1.203 58.759 57.345 0.351 0.000 1.410 247 W CB -0.438 29.221 29.460 0.332 0.000 1.075 247 W HN 0.868 nan 8.180 nan 0.000 0.581 248 G N -1.342 107.799 108.800 0.568 0.000 2.503 248 G HA2 0.384 4.374 3.960 0.050 0.000 0.305 248 G HA3 0.384 4.374 3.960 0.050 0.000 0.305 248 G C -2.323 172.898 174.900 0.535 0.000 1.575 248 G CA -0.861 44.520 45.100 0.467 0.000 0.890 248 G HN -0.123 nan 8.290 nan 0.000 0.612 249 W N 0.027 121.412 121.300 0.143 0.000 2.975 249 W HA 0.790 5.521 4.660 0.119 0.000 0.342 249 W C -0.092 176.501 176.519 0.124 0.000 1.168 249 W CA -0.664 56.734 57.345 0.088 0.000 1.141 249 W CB 2.453 31.959 29.460 0.076 0.000 1.445 249 W HN 0.504 nan 8.180 nan 0.000 0.560 250 T N 2.311 117.026 114.554 0.268 0.000 2.824 250 T HA 0.599 4.979 4.350 0.050 0.000 0.282 250 T C -1.438 173.410 174.700 0.247 0.000 0.993 250 T CA -0.417 61.884 62.100 0.336 0.000 0.967 250 T CB 0.453 69.510 68.868 0.315 0.000 0.960 250 T HN 0.031 nan 8.240 nan 0.000 0.441 251 F N 2.473 122.687 119.950 0.438 0.000 2.449 251 F HA 0.493 5.067 4.527 0.079 0.000 0.342 251 F C 0.430 176.471 175.800 0.402 0.000 1.127 251 F CA -0.825 57.440 58.000 0.441 0.000 0.975 251 F CB 1.796 41.109 39.000 0.522 0.000 1.146 251 F HN 0.303 nan 8.300 nan 0.000 0.444 252 Q N 2.821 122.905 119.800 0.474 0.000 2.353 252 Q HA 0.513 4.883 4.340 0.050 0.000 0.268 252 Q C -0.246 175.943 176.000 0.315 0.000 1.045 252 Q CA -1.118 54.899 55.803 0.358 0.000 0.811 252 Q CB 1.533 30.460 28.738 0.315 0.000 1.305 252 Q HN 0.632 nan 8.270 nan 0.000 0.447 253 R N 2.317 122.961 120.500 0.239 0.000 3.152 253 R HA -0.140 4.230 4.340 0.050 0.000 0.252 253 R C -1.411 175.037 176.300 0.246 0.000 0.930 253 R CA 0.359 56.577 56.100 0.197 0.000 0.642 253 R CB -1.531 28.864 30.300 0.158 0.000 1.205 253 R HN 0.475 nan 8.270 nan 0.000 0.452 254 I N 0.739 121.489 120.570 0.299 0.000 2.428 254 I HA 0.388 4.588 4.170 0.050 0.000 0.296 254 I C 0.679 176.941 176.117 0.242 0.000 0.985 254 I CA -0.178 61.327 61.300 0.343 0.000 1.260 254 I CB 1.759 40.064 38.000 0.508 0.000 1.389 254 I HN 0.230 nan 8.210 nan 0.000 0.484 255 T N 6.783 121.473 114.554 0.227 0.000 2.841 255 T HA 0.660 5.041 4.350 0.050 0.000 0.285 255 T C -0.151 174.674 174.700 0.208 0.000 0.991 255 T CA -0.294 61.901 62.100 0.157 0.000 0.966 255 T CB 1.530 70.457 68.868 0.099 0.000 0.962 255 T HN 0.280 nan 8.240 nan 0.000 0.438 256 I N 3.758 124.423 120.570 0.158 0.000 2.439 256 I HA 0.369 4.569 4.170 0.050 0.000 0.283 256 I C -0.578 175.591 176.117 0.086 0.000 1.023 256 I CA -0.723 60.672 61.300 0.158 0.000 1.100 256 I CB 1.455 39.532 38.000 0.128 0.000 1.238 256 I HN 0.568 nan 8.210 nan 0.000 0.445 257 N N 6.139 124.890 118.700 0.085 0.000 2.342 257 N HA 0.383 5.153 4.740 0.050 0.000 0.293 257 N C -0.597 174.936 175.510 0.039 0.000 1.026 257 N CA -0.799 52.280 53.050 0.049 0.000 0.857 257 N CB 0.989 39.502 38.487 0.043 0.000 1.256 257 N HN 0.459 nan 8.380 nan 0.000 0.484 258 N N 0.063 118.775 118.700 0.020 0.000 2.738 258 N HA -0.170 4.600 4.740 0.050 0.000 0.249 258 N C -1.182 174.331 175.510 0.005 0.000 1.047 258 N CA 0.576 53.633 53.050 0.011 0.000 0.707 258 N CB -1.508 36.987 38.487 0.013 0.000 0.937 258 N HN 0.406 nan 8.380 nan 0.000 0.545 259 C N 0.022 119.319 119.300 -0.004 0.000 2.470 259 C HA 0.321 4.811 4.460 0.050 0.000 0.341 259 C C 1.916 176.883 174.990 -0.038 0.000 1.190 259 C CA -0.735 58.265 59.018 -0.030 0.000 1.904 259 C CB 2.257 29.963 27.740 -0.057 0.000 2.354 259 C HN 0.340 nan 8.230 nan 0.000 0.509 260 Q N 0.521 120.287 119.800 -0.056 0.000 2.033 260 Q HA 0.109 4.479 4.340 0.050 0.000 0.196 260 Q C 0.214 176.177 176.000 -0.062 0.000 0.970 260 Q CA 1.282 57.053 55.803 -0.053 0.000 0.828 260 Q CB -0.091 28.613 28.738 -0.058 0.000 0.895 260 Q HN 0.626 nan 8.270 nan 0.000 0.440 261 V N -0.152 119.702 119.914 -0.099 0.000 2.656 261 V HA 0.503 4.654 4.120 0.050 0.000 0.307 261 V C 0.956 176.946 176.094 -0.174 0.000 1.051 261 V CA -0.086 62.143 62.300 -0.118 0.000 0.893 261 V CB 1.579 33.314 31.823 -0.147 0.000 0.999 261 V HN 0.347 nan 8.190 nan 0.000 0.426 262 G N 3.145 111.867 108.800 -0.131 0.000 2.662 262 G HA2 0.011 4.001 3.960 0.050 0.000 0.215 262 G HA3 0.011 4.001 3.960 0.050 0.000 0.215 262 G C 0.062 174.665 174.900 -0.494 0.000 1.310 262 G CA 0.454 45.426 45.100 -0.214 0.000 0.849 262 G HN 0.450 nan 8.290 nan 0.000 0.568 263 F N 1.128 120.791 119.950 -0.478 0.000 2.391 263 F HA 0.386 4.939 4.527 0.044 0.000 0.359 263 F C -0.460 175.034 175.800 -0.510 0.000 1.122 263 F CA -0.761 56.894 58.000 -0.575 0.000 1.120 263 F CB 1.716 40.279 39.000 -0.729 0.000 1.142 263 F HN 0.015 nan 8.300 nan 0.000 0.483 264 D N 5.249 125.459 120.400 -0.315 0.000 2.443 264 D HA 0.343 5.013 4.640 0.050 0.000 0.221 264 D C -0.876 175.253 176.300 -0.285 0.000 1.097 264 D CA -0.132 53.706 54.000 -0.270 0.000 0.865 264 D CB 0.613 41.278 40.800 -0.225 0.000 1.034 264 D HN 0.367 nan 8.370 nan 0.000 0.511 265 L N 3.028 124.025 121.223 -0.376 0.000 2.272 265 L HA 0.375 4.745 4.340 0.050 0.000 0.289 265 L C 0.521 177.311 176.870 -0.134 0.000 1.032 265 L CA -0.658 53.895 54.840 -0.478 0.000 0.810 265 L CB 1.716 43.006 42.059 -1.281 0.000 1.205 265 L HN 0.163 nan 8.230 nan 0.000 0.422 266 T N 3.151 117.708 114.554 0.005 0.000 2.749 266 T HA 0.118 4.498 4.350 0.050 0.000 0.295 266 T C -0.040 174.857 174.700 0.329 0.000 0.936 266 T CA -0.123 62.067 62.100 0.151 0.000 1.060 266 T CB 0.960 69.900 68.868 0.121 0.000 0.904 266 T HN 0.483 nan 8.240 nan 0.000 0.500 267 Q N 2.334 122.354 119.800 0.367 0.000 2.259 267 Q HA 0.574 4.944 4.340 0.050 0.000 0.249 267 Q C 0.116 176.233 176.000 0.195 0.000 0.914 267 Q CA -0.560 55.445 55.803 0.337 0.000 0.904 267 Q CB 0.988 29.860 28.738 0.223 0.000 1.213 267 Q HN 0.844 nan 8.270 nan 0.000 0.428 268 G N 1.359 110.259 108.800 0.168 0.000 3.209 268 G HA2 0.654 4.644 3.960 0.050 0.000 0.236 268 G HA3 0.654 4.644 3.960 0.050 0.000 0.236 268 G C -0.554 174.397 174.900 0.085 0.000 1.329 268 G CA -0.367 44.812 45.100 0.133 0.000 1.015 268 G HN 0.725 nan 8.290 nan 0.000 0.571 269 G N -1.881 106.968 108.800 0.082 0.000 2.557 269 G HA2 0.424 4.414 3.960 0.050 0.000 0.292 269 G HA3 0.424 4.414 3.960 0.050 0.000 0.292 269 G C 0.979 175.918 174.900 0.066 0.000 1.237 269 G CA 0.746 45.882 45.100 0.061 0.000 0.978 269 G HN 1.021 nan 8.290 nan 0.000 0.498 270 T N -2.920 111.665 114.554 0.052 0.000 3.022 270 T HA 0.208 4.588 4.350 0.050 0.000 0.250 270 T C 1.247 175.960 174.700 0.020 0.000 1.060 270 T CA 0.593 62.722 62.100 0.047 0.000 1.013 270 T CB -0.139 68.766 68.868 0.062 0.000 0.982 270 T HN 0.714 nan 8.240 nan 0.000 0.508 271 S N 2.380 118.089 115.700 0.015 0.000 2.616 271 S HA 0.311 4.811 4.470 0.050 0.000 0.277 271 S C 1.094 175.689 174.600 -0.009 0.000 1.234 271 S CA -0.653 57.538 58.200 -0.015 0.000 1.028 271 S CB 1.022 64.212 63.200 -0.017 0.000 0.988 271 S HN 0.355 nan 8.310 nan 0.000 0.522 272 N N 0.872 119.535 118.700 -0.063 0.000 2.550 272 N HA -0.098 4.672 4.740 0.050 0.000 0.186 272 N C 0.994 176.514 175.510 0.016 0.000 1.110 272 N CA 1.169 54.174 53.050 -0.076 0.000 0.912 272 N CB -0.827 37.483 38.487 -0.296 0.000 0.968 272 N HN 0.801 nan 8.380 nan 0.000 0.448 273 T N -5.068 109.490 114.554 0.006 0.000 3.054 273 T HA 0.398 4.778 4.350 0.050 0.000 0.255 273 T C 0.943 175.662 174.700 0.032 0.000 1.035 273 T CA -0.131 61.983 62.100 0.023 0.000 0.941 273 T CB 0.163 69.030 68.868 -0.002 0.000 1.026 273 T HN 0.176 nan 8.240 nan 0.000 0.533 274 G N 1.065 109.887 108.800 0.037 0.000 2.583 274 G HA2 0.621 4.611 3.960 0.050 0.000 0.280 274 G HA3 0.621 4.611 3.960 0.050 0.000 0.280 274 G C -0.113 174.817 174.900 0.049 0.000 1.376 274 G CA -0.676 44.446 45.100 0.037 0.000 1.043 274 G HN 0.560 nan 8.290 nan 0.000 0.538 275 A N -0.583 122.264 122.820 0.046 0.000 2.520 275 A HA 0.442 4.792 4.320 0.050 0.000 0.245 275 A C 0.309 177.944 177.584 0.085 0.000 1.072 275 A CA 0.282 52.350 52.037 0.051 0.000 0.761 275 A CB 0.365 19.395 19.000 0.051 0.000 1.004 275 A HN 0.525 nan 8.150 nan 0.000 0.499 276 Q N 2.062 121.911 119.800 0.082 0.000 2.303 276 Q HA 0.558 4.928 4.340 0.050 0.000 0.257 276 Q C 0.350 176.484 176.000 0.223 0.000 0.941 276 Q CA 0.583 56.481 55.803 0.160 0.000 0.931 276 Q CB 1.199 30.001 28.738 0.106 0.000 1.215 276 Q HN 0.849 nan 8.270 nan 0.000 0.437 277 G N 1.609 110.583 108.800 0.289 0.000 3.039 277 G HA2 0.407 4.397 3.960 0.050 0.000 0.159 277 G HA3 0.407 4.397 3.960 0.050 0.000 0.159 277 G C -1.055 174.101 174.900 0.425 0.000 1.284 277 G CA -0.611 44.691 45.100 0.336 0.000 0.996 277 G HN 0.480 nan 8.290 nan 0.000 0.592 278 V N 1.668 121.813 119.914 0.385 0.000 2.397 278 V HA 0.330 4.480 4.120 0.050 0.000 0.262 278 V C 1.625 177.990 176.094 0.452 0.000 1.047 278 V CA 0.683 63.194 62.300 0.351 0.000 1.003 278 V CB 0.503 32.439 31.823 0.188 0.000 1.037 278 V HN 0.876 nan 8.190 nan 0.000 0.480 279 G N 4.154 113.207 108.800 0.422 0.000 2.394 279 G HA2 0.295 4.285 3.960 0.050 0.000 0.215 279 G HA3 0.295 4.285 3.960 0.050 0.000 0.215 279 G C 0.475 175.594 174.900 0.365 0.000 1.165 279 G CA 0.836 46.164 45.100 0.381 0.000 0.784 279 G HN 1.006 nan 8.290 nan 0.000 0.535 280 A N -0.422 122.615 122.820 0.362 0.000 2.513 280 A HA 0.653 5.003 4.320 0.050 0.000 0.296 280 A C -1.498 176.255 177.584 0.281 0.000 1.052 280 A CA -0.631 51.595 52.037 0.314 0.000 0.714 280 A CB 1.585 20.744 19.000 0.265 0.000 1.279 280 A HN 0.026 nan 8.150 nan 0.000 0.397 281 E N 0.658 120.995 120.200 0.229 0.000 2.234 281 E HA 0.661 5.041 4.350 0.050 0.000 0.266 281 E C -0.804 175.883 176.600 0.145 0.000 0.877 281 E CA -0.558 55.951 56.400 0.181 0.000 0.758 281 E CB 2.319 31.982 29.700 -0.061 0.000 1.170 281 E HN 0.979 nan 8.360 nan 0.000 0.415 282 A N 4.055 126.996 122.820 0.201 0.000 2.319 282 A HA 0.706 5.056 4.320 0.050 0.000 0.310 282 A C -0.542 177.319 177.584 0.462 0.000 1.152 282 A CA -0.612 51.472 52.037 0.079 0.000 0.783 282 A CB 0.362 19.098 19.000 -0.439 0.000 1.184 282 A HN 0.550 nan 8.150 nan 0.000 0.474 283 I N 3.163 124.046 120.570 0.522 0.000 2.436 283 I HA 0.520 4.720 4.170 0.050 0.000 0.289 283 I C -0.713 175.696 176.117 0.486 0.000 1.010 283 I CA -0.457 61.132 61.300 0.482 0.000 1.098 283 I CB 1.876 39.971 38.000 0.159 0.000 1.266 283 I HN 0.670 nan 8.210 nan 0.000 0.434 284 I N 5.746 126.527 120.570 0.352 0.000 2.534 284 I HA 0.365 4.565 4.170 0.050 0.000 0.288 284 I C -1.389 174.776 176.117 0.080 0.000 1.077 284 I CA -0.142 61.179 61.300 0.035 0.000 1.051 284 I CB 1.286 39.050 38.000 -0.394 0.000 1.234 284 I HN 0.608 nan 8.210 nan 0.000 0.425 285 D N 5.394 125.812 120.400 0.030 0.000 3.437 285 D HA -0.144 4.526 4.640 0.050 0.000 0.243 285 D C -0.696 175.663 176.300 0.098 0.000 1.104 285 D CA 1.144 55.168 54.000 0.040 0.000 1.009 285 D CB -0.691 40.123 40.800 0.024 0.000 0.937 285 D HN 0.703 nan 8.370 nan 0.000 0.417 286 A N 0.494 123.355 122.820 0.067 0.000 2.350 286 A HA 0.768 5.119 4.320 0.050 0.000 0.324 286 A C -0.138 177.422 177.584 -0.040 0.000 1.118 286 A CA -0.614 51.462 52.037 0.065 0.000 0.783 286 A CB 1.945 20.997 19.000 0.087 0.000 1.236 286 A HN 0.180 nan 8.150 nan 0.000 0.457 287 V N 2.174 122.080 119.914 -0.014 0.000 2.448 287 V HA 0.573 4.723 4.120 0.050 0.000 0.295 287 V C -0.680 175.375 176.094 -0.065 0.000 1.025 287 V CA -0.393 61.877 62.300 -0.051 0.000 0.859 287 V CB 1.538 33.356 31.823 -0.008 0.000 0.988 287 V HN 0.682 nan 8.190 nan 0.000 0.431 288 V N 3.764 123.602 119.914 -0.127 0.000 2.569 288 V HA 0.695 4.845 4.120 0.050 0.000 0.301 288 V C -0.108 175.941 176.094 -0.075 0.000 1.044 288 V CA -0.458 61.774 62.300 -0.114 0.000 0.874 288 V CB 2.112 33.774 31.823 -0.269 0.000 1.002 288 V HN 0.991 nan 8.190 nan 0.000 0.424 289 T N 0.644 115.180 114.554 -0.029 0.000 2.876 289 T HA 0.503 4.883 4.350 0.050 0.000 0.289 289 T C -0.050 174.645 174.700 -0.008 0.000 1.014 289 T CA -0.674 61.413 62.100 -0.021 0.000 0.986 289 T CB 1.503 70.364 68.868 -0.011 0.000 1.021 289 T HN 0.641 nan 8.240 nan 0.000 0.458 290 N N 0.934 119.628 118.700 -0.010 0.000 2.686 290 N HA -0.136 4.634 4.740 0.050 0.000 0.261 290 N C -0.660 174.849 175.510 -0.002 0.000 1.001 290 N CA 1.116 54.163 53.050 -0.006 0.000 0.764 290 N CB -1.436 37.049 38.487 -0.003 0.000 0.898 290 N HN 0.844 nan 8.380 nan 0.000 0.544 291 T N -0.022 114.531 114.554 -0.000 0.000 2.861 291 T HA 0.256 4.636 4.350 0.050 0.000 0.287 291 T C 1.170 175.874 174.700 0.007 0.000 1.003 291 T CA -0.621 61.483 62.100 0.006 0.000 0.977 291 T CB 2.731 71.614 68.868 0.025 0.000 0.996 291 T HN -0.037 nan 8.240 nan 0.000 0.448 292 Q N 1.552 121.351 119.800 -0.001 0.000 1.990 292 Q HA 0.030 4.400 4.340 0.050 0.000 0.200 292 Q C 0.416 176.419 176.000 0.006 0.000 0.980 292 Q CA 1.352 57.153 55.803 -0.003 0.000 0.832 292 Q CB 0.078 28.808 28.738 -0.013 0.000 0.897 292 Q HN 0.632 nan 8.270 nan 0.000 0.427 293 T N 0.626 115.184 114.554 0.006 0.000 2.812 293 T HA 0.201 4.581 4.350 0.050 0.000 0.282 293 T C 0.278 175.015 174.700 0.061 0.000 0.990 293 T CA -0.562 61.546 62.100 0.012 0.000 0.960 293 T CB 1.111 69.962 68.868 -0.029 0.000 0.948 293 T HN 0.069 nan 8.240 nan 0.000 0.438 294 F N 4.311 124.217 119.950 -0.073 0.000 2.118 294 F HA 0.326 4.881 4.527 0.047 0.000 0.293 294 F C 0.251 176.028 175.800 -0.038 0.000 1.102 294 F CA 0.671 58.640 58.000 -0.051 0.000 1.247 294 F CB 0.153 39.116 39.000 -0.061 0.000 1.017 294 F HN 0.300 nan 8.300 nan 0.000 0.475 295 V N 2.172 121.825 119.914 -0.434 0.000 2.577 295 V HA 0.424 4.574 4.120 0.050 0.000 0.303 295 V C -0.724 175.172 176.094 -0.331 0.000 1.042 295 V CA -0.824 61.138 62.300 -0.564 0.000 0.872 295 V CB 1.819 33.132 31.823 -0.850 0.000 0.998 295 V HN 0.172 nan 8.190 nan 0.000 0.423 296 R N 3.226 123.543 120.500 -0.306 0.000 2.480 296 R HA 0.488 4.858 4.340 0.050 0.000 0.306 296 R C -1.708 174.478 176.300 -0.190 0.000 0.958 296 R CA -0.494 55.505 56.100 -0.169 0.000 0.861 296 R CB 1.401 31.635 30.300 -0.110 0.000 1.171 296 R HN 0.662 nan 8.270 nan 0.000 0.445 297 W N 1.836 123.106 121.300 -0.051 0.000 2.449 297 W HA 0.165 4.854 4.660 0.050 0.000 0.331 297 W C 1.532 178.042 176.519 -0.015 0.000 1.119 297 W CA -0.322 57.008 57.345 -0.025 0.000 1.240 297 W CB 1.886 31.347 29.460 0.001 0.000 1.251 297 W HN 0.712 nan 8.180 nan 0.000 0.576 298 S N 1.102 116.979 115.700 0.294 0.000 2.453 298 S HA 0.224 4.724 4.470 0.050 0.000 0.231 298 S C 0.632 175.314 174.600 0.137 0.000 1.005 298 S CA 0.610 58.904 58.200 0.158 0.000 0.949 298 S CB -0.208 63.069 63.200 0.130 0.000 0.774 298 S HN 0.562 nan 8.310 nan 0.000 0.510 299 G N -0.330 108.567 108.800 0.162 0.000 2.690 299 G HA2 0.678 4.668 3.960 0.050 0.000 0.291 299 G HA3 0.678 4.668 3.960 0.050 0.000 0.291 299 G C -0.939 173.988 174.900 0.044 0.000 1.403 299 G CA -0.491 44.657 45.100 0.081 0.000 0.864 299 G HN 0.519 nan 8.290 nan 0.000 0.480 300 A N 0.058 122.882 122.820 0.007 0.000 2.304 300 A HA 0.765 5.115 4.320 0.050 0.000 0.271 300 A C 0.431 177.954 177.584 -0.101 0.000 1.091 300 A CA -0.272 51.752 52.037 -0.022 0.000 0.812 300 A CB 0.746 19.749 19.000 0.004 0.000 1.056 300 A HN 0.895 nan 8.150 nan 0.000 0.489 301 S N 0.918 116.550 115.700 -0.113 0.000 2.438 301 S HA 0.404 4.904 4.470 0.050 0.000 0.316 301 S C 0.073 174.560 174.600 -0.189 0.000 1.084 301 S CA -0.461 57.614 58.200 -0.209 0.000 1.107 301 S CB 1.058 64.184 63.200 -0.125 0.000 0.981 301 S HN 0.811 nan 8.310 nan 0.000 0.466 302 S N 1.838 117.366 115.700 -0.286 0.000 3.681 302 S HA 0.512 5.013 4.470 0.050 0.000 0.203 302 S C 1.200 175.646 174.600 -0.256 0.000 1.408 302 S CA -0.318 57.778 58.200 -0.174 0.000 0.942 302 S CB -0.097 63.064 63.200 -0.065 0.000 1.437 302 S HN 1.265 nan 8.310 nan 0.000 0.482 303 G N 1.714 110.248 108.800 -0.443 0.000 2.168 303 G HA2 -0.255 3.735 3.960 0.050 0.000 0.263 303 G HA3 -0.255 3.735 3.960 0.050 0.000 0.263 303 G C -0.113 174.287 174.900 -0.833 0.000 0.977 303 G CA 0.652 45.456 45.100 -0.493 0.000 0.659 303 G HN 1.238 nan 8.290 nan 0.000 0.533 304 H N -3.130 115.182 119.070 -1.264 0.000 3.008 304 H HA 0.699 5.285 4.556 0.050 0.000 0.354 304 H C -0.298 174.519 175.328 -0.852 0.000 1.252 304 H CA -1.124 54.364 56.048 -0.933 0.000 1.117 304 H CB 0.928 30.459 29.762 -0.385 0.000 1.857 304 H HN 0.616 nan 8.280 nan 0.000 0.547 305 L N 1.312 122.380 121.223 -0.259 0.000 2.513 305 L HA 0.192 4.562 4.340 0.050 0.000 0.272 305 L C -0.173 176.600 176.870 -0.162 0.000 1.187 305 L CA 0.850 55.682 54.840 -0.014 0.000 0.895 305 L CB 0.385 42.533 42.059 0.150 0.000 1.147 305 L HN 0.851 nan 8.230 nan 0.000 0.483 306 Q N 4.424 124.103 119.800 -0.203 0.000 3.853 306 Q HA 0.433 4.803 4.340 0.050 0.000 0.220 306 Q C -0.667 175.161 176.000 -0.287 0.000 0.826 306 Q CA 0.087 55.762 55.803 -0.214 0.000 0.821 306 Q CB 0.538 29.084 28.738 -0.320 0.000 1.546 306 Q HN 1.155 nan 8.270 nan 0.000 0.410 307 G N 1.306 109.992 108.800 -0.190 0.000 3.434 307 G HA2 -0.143 3.848 3.960 0.050 0.000 0.686 307 G HA3 -0.143 3.848 3.960 0.050 0.000 0.686 307 G C -0.968 173.773 174.900 -0.265 0.000 1.099 307 G CA -0.114 44.808 45.100 -0.297 0.000 0.931 307 G HN 0.324 nan 8.290 nan 0.000 0.520 308 S N 0.767 116.546 115.700 0.132 0.000 2.501 308 S HA 0.884 5.384 4.470 0.050 0.000 0.301 308 S C -0.413 174.407 174.600 0.366 0.000 1.096 308 S CA -0.610 57.700 58.200 0.183 0.000 1.063 308 S CB 1.585 64.885 63.200 0.165 0.000 1.042 308 S HN 1.853 nan 8.310 nan 0.000 0.494 309 L N 4.778 126.191 121.223 0.316 0.000 2.431 309 L HA 0.773 5.143 4.340 0.050 0.000 0.266 309 L C -1.672 175.350 176.870 0.254 0.000 0.978 309 L CA -0.409 54.631 54.840 0.333 0.000 0.822 309 L CB 2.081 44.430 42.059 0.484 0.000 1.310 309 L HN 0.515 nan 8.230 nan 0.000 0.409 310 V N 5.636 125.672 119.914 0.203 0.000 2.588 310 V HA 0.557 4.707 4.120 0.050 0.000 0.304 310 V C -0.504 175.784 176.094 0.324 0.000 1.042 310 V CA -0.557 61.881 62.300 0.230 0.000 0.877 310 V CB 1.746 33.636 31.823 0.111 0.000 0.996 310 V HN 0.606 nan 8.190 nan 0.000 0.425 311 L N 4.491 125.941 121.223 0.379 0.000 2.362 311 L HA 0.635 5.005 4.340 0.050 0.000 0.275 311 L C -0.302 176.743 176.870 0.292 0.000 0.998 311 L CA -0.348 54.704 54.840 0.353 0.000 0.820 311 L CB 1.831 44.096 42.059 0.344 0.000 1.270 311 L HN 0.710 nan 8.230 nan 0.000 0.415 312 N N 2.797 121.625 118.700 0.214 0.000 2.480 312 N HA 0.157 4.927 4.740 0.050 0.000 0.289 312 N C -0.670 174.849 175.510 0.015 0.000 1.073 312 N CA -0.410 52.675 53.050 0.059 0.000 0.885 312 N CB 1.145 39.558 38.487 -0.123 0.000 1.421 312 N HN 0.701 nan 8.380 nan 0.000 0.503 313 N N 3.157 121.866 118.700 0.014 0.000 2.699 313 N HA -0.135 4.635 4.740 0.050 0.000 0.257 313 N C -1.400 174.102 175.510 -0.013 0.000 1.077 313 N CA 0.434 53.481 53.050 -0.006 0.000 0.702 313 N CB -0.930 37.541 38.487 -0.027 0.000 0.886 313 N HN 0.497 nan 8.380 nan 0.000 0.549 314 I N 1.037 121.593 120.570 -0.024 0.000 2.297 314 I HA 0.180 4.380 4.170 0.050 0.000 0.291 314 I C 0.866 176.901 176.117 -0.137 0.000 1.033 314 I CA -0.360 60.871 61.300 -0.115 0.000 1.253 314 I CB 1.136 39.034 38.000 -0.169 0.000 1.396 314 I HN 0.411 nan 8.210 nan 0.000 0.476 315 Q N 7.707 127.423 119.800 -0.141 0.000 2.331 315 Q HA 0.583 4.953 4.340 0.050 0.000 0.257 315 Q C -1.774 174.133 176.000 -0.155 0.000 0.957 315 Q CA -0.441 55.294 55.803 -0.114 0.000 0.923 315 Q CB 1.172 29.868 28.738 -0.070 0.000 1.212 315 Q HN 0.653 nan 8.270 nan 0.000 0.443 316 L N 3.742 124.882 121.223 -0.138 0.000 2.313 316 L HA 0.567 4.937 4.340 0.050 0.000 0.283 316 L C -0.604 176.219 176.870 -0.078 0.000 1.013 316 L CA -0.773 53.986 54.840 -0.135 0.000 0.816 316 L CB 2.130 44.104 42.059 -0.142 0.000 1.236 316 L HN 0.639 nan 8.230 nan 0.000 0.419 317 T N 2.214 116.730 114.554 -0.064 0.000 2.815 317 T HA 0.290 4.670 4.350 0.050 0.000 0.289 317 T C -0.178 174.503 174.700 -0.033 0.000 1.000 317 T CA -0.593 61.483 62.100 -0.040 0.000 0.958 317 T CB 0.692 69.541 68.868 -0.031 0.000 0.944 317 T HN 0.645 nan 8.240 nan 0.000 0.442 318 N N 1.423 120.108 118.700 -0.026 0.000 2.671 318 N HA -0.128 4.642 4.740 0.050 0.000 0.261 318 N C -0.850 174.649 175.510 -0.019 0.000 1.053 318 N CA 0.269 53.308 53.050 -0.019 0.000 0.732 318 N CB -1.058 37.421 38.487 -0.013 0.000 0.887 318 N HN 0.439 nan 8.380 nan 0.000 0.546 319 V N 0.614 120.515 119.914 -0.023 0.000 2.327 319 V HA 0.165 4.315 4.120 0.050 0.000 0.272 319 V C -1.413 174.676 176.094 -0.009 0.000 1.019 319 V CA -1.165 61.127 62.300 -0.014 0.000 0.814 319 V CB 1.997 33.804 31.823 -0.027 0.000 1.040 319 V HN 0.005 nan 8.190 nan 0.000 0.440 320 P HA -0.126 nan 4.420 nan 0.000 0.216 320 P C 0.454 177.751 177.300 -0.005 0.000 1.157 320 P CA 1.366 64.463 63.100 -0.005 0.000 0.880 320 P CB 0.255 31.953 31.700 -0.003 0.000 0.791 321 V N -0.714 119.200 119.914 -0.000 0.000 2.357 321 V HA 0.430 4.580 4.120 0.050 0.000 0.284 321 V C 1.126 177.224 176.094 0.007 0.000 1.018 321 V CA -0.099 62.198 62.300 -0.005 0.000 0.841 321 V CB 0.722 32.542 31.823 -0.005 0.000 0.991 321 V HN 0.022 nan 8.190 nan 0.000 0.437 322 A N 5.078 127.885 122.820 -0.022 0.000 1.854 322 A HA 0.199 4.549 4.320 0.050 0.000 0.214 322 A C 0.811 178.353 177.584 -0.069 0.000 1.192 322 A CA 1.090 53.132 52.037 0.007 0.000 0.611 322 A CB 0.118 19.063 19.000 -0.093 0.000 0.832 322 A HN 0.618 nan 8.150 nan 0.000 0.442 323 V N -0.951 118.846 119.914 -0.195 0.000 2.588 323 V HA 0.687 4.837 4.120 0.050 0.000 0.304 323 V C 0.139 176.201 176.094 -0.053 0.000 1.042 323 V CA -0.034 62.151 62.300 -0.191 0.000 0.877 323 V CB 1.234 32.839 31.823 -0.363 0.000 0.996 323 V HN 0.652 nan 8.190 nan 0.000 0.425 324 G N 2.311 111.113 108.800 0.003 0.000 2.690 324 G HA2 0.662 4.652 3.960 0.050 0.000 0.291 324 G HA3 0.662 4.652 3.960 0.050 0.000 0.291 324 G C -1.682 173.274 174.900 0.095 0.000 1.403 324 G CA -0.619 44.508 45.100 0.045 0.000 0.864 324 G HN 0.516 nan 8.290 nan 0.000 0.480 325 V N 1.040 121.012 119.914 0.096 0.000 2.472 325 V HA 0.374 4.524 4.120 0.050 0.000 0.290 325 V C 0.720 176.855 176.094 0.068 0.000 1.037 325 V CA -0.947 61.422 62.300 0.114 0.000 0.908 325 V CB 1.685 33.568 31.823 0.100 0.000 0.985 325 V HN 0.741 nan 8.190 nan 0.000 0.454 326 K N 3.210 123.650 120.400 0.066 0.000 2.437 326 K HA 0.066 4.416 4.320 0.050 0.000 0.277 326 K C 1.098 177.716 176.600 0.030 0.000 1.073 326 K CA 1.045 57.353 56.287 0.035 0.000 1.105 326 K CB -0.337 32.183 32.500 0.033 0.000 0.881 326 K HN 1.192 nan 8.250 nan 0.000 0.475 327 G N 3.054 111.866 108.800 0.019 0.000 2.390 327 G HA2 -0.248 3.742 3.960 0.050 0.000 0.299 327 G HA3 -0.248 3.742 3.960 0.050 0.000 0.299 327 G C 0.232 175.145 174.900 0.023 0.000 1.002 327 G CA 0.428 45.538 45.100 0.016 0.000 0.979 327 G HN 0.935 nan 8.290 nan 0.000 0.513 328 G N -0.718 108.099 108.800 0.029 0.000 3.021 328 G HA2 0.856 4.846 3.960 0.050 0.000 0.290 328 G HA3 0.856 4.846 3.960 0.050 0.000 0.290 328 G C -2.744 172.178 174.900 0.036 0.000 1.291 328 G CA -0.216 44.905 45.100 0.035 0.000 0.834 328 G HN 0.346 nan 8.290 nan 0.000 0.564 329 P HA 0.342 nan 4.420 nan 0.000 0.279 329 P C -0.249 177.080 177.300 0.049 0.000 1.252 329 P CA -0.142 62.984 63.100 0.043 0.000 0.811 329 P CB 0.808 32.536 31.700 0.047 0.000 1.035 330 T N 1.090 115.668 114.554 0.040 0.000 2.908 330 T HA 0.078 4.458 4.350 0.050 0.000 0.301 330 T C 1.543 176.279 174.700 0.060 0.000 1.019 330 T CA -0.115 62.008 62.100 0.038 0.000 1.152 330 T CB 0.215 69.098 68.868 0.025 0.000 0.966 330 T HN 0.103 nan 8.240 nan 0.000 0.540 331 V N 3.179 123.134 119.914 0.069 0.000 2.672 331 V HA 0.254 4.404 4.120 0.050 0.000 0.242 331 V C 0.413 176.573 176.094 0.110 0.000 1.059 331 V CA 0.443 62.819 62.300 0.128 0.000 1.081 331 V CB -0.106 31.836 31.823 0.199 0.000 0.752 331 V HN 0.639 nan 8.190 nan 0.000 0.472 332 L N 0.578 121.776 121.223 -0.042 0.000 2.439 332 L HA 0.834 5.204 4.340 0.050 0.000 0.270 332 L C -0.122 176.691 176.870 -0.096 0.000 0.972 332 L CA -0.481 54.291 54.840 -0.113 0.000 0.836 332 L CB 1.245 43.009 42.059 -0.492 0.000 1.255 332 L HN 0.070 nan 8.230 nan 0.000 0.404 333 A N 3.156 125.955 122.820 -0.035 0.000 2.386 333 A HA 0.676 5.026 4.320 0.050 0.000 0.248 333 A C 0.558 178.116 177.584 -0.043 0.000 1.082 333 A CA 0.457 52.480 52.037 -0.024 0.000 0.789 333 A CB 0.311 19.311 19.000 0.001 0.000 1.025 333 A HN 0.997 nan 8.150 nan 0.000 0.490 334 G N -0.481 108.299 108.800 -0.032 0.000 3.410 334 G HA2 0.723 4.713 3.960 0.050 0.000 0.189 334 G HA3 0.723 4.713 3.960 0.050 0.000 0.189 334 G C 0.592 175.476 174.900 -0.027 0.000 1.404 334 G CA 0.171 45.248 45.100 -0.037 0.000 0.898 334 G HN 2.232 nan 8.290 nan 0.000 0.650 335 G N -1.738 107.047 108.800 -0.026 0.000 2.395 335 G HA2 0.185 4.175 3.960 0.050 0.000 0.201 335 G HA3 0.185 4.175 3.960 0.050 0.000 0.201 335 G C -0.540 174.344 174.900 -0.027 0.000 1.206 335 G CA 0.245 45.333 45.100 -0.020 0.000 1.210 335 G HN 1.165 nan 8.290 nan 0.000 0.557 336 T N 1.237 115.777 114.554 -0.023 0.000 2.874 336 T HA 0.705 5.085 4.350 0.050 0.000 0.321 336 T C -0.233 174.452 174.700 -0.025 0.000 1.075 336 T CA 0.688 62.772 62.100 -0.027 0.000 0.966 336 T CB 1.094 69.950 68.868 -0.020 0.000 1.001 336 T HN 1.114 nan 8.240 nan 0.000 0.476 337 T N 1.578 116.111 114.554 -0.035 0.000 2.733 337 T HA 0.478 4.858 4.350 0.050 0.000 0.312 337 T C -1.422 173.254 174.700 -0.040 0.000 1.590 337 T CA -0.411 61.672 62.100 -0.028 0.000 1.005 337 T CB 1.740 70.597 68.868 -0.019 0.000 1.528 337 T HN 0.339 nan 8.240 nan 0.000 0.496 338 T N 2.541 117.079 114.554 -0.026 0.000 2.791 338 T HA 0.561 4.941 4.350 0.050 0.000 0.288 338 T C -0.088 174.606 174.700 -0.011 0.000 0.999 338 T CA -0.362 61.721 62.100 -0.028 0.000 0.952 338 T CB 0.149 69.006 68.868 -0.017 0.000 0.938 338 T HN 0.451 nan 8.240 nan 0.000 0.444 339 I N 4.217 124.777 120.570 -0.017 0.000 2.379 339 I HA 0.136 4.336 4.170 0.050 0.000 0.290 339 I C 1.633 177.781 176.117 0.052 0.000 1.063 339 I CA -0.441 60.876 61.300 0.029 0.000 1.351 339 I CB 0.623 38.639 38.000 0.027 0.000 1.410 339 I HN 0.593 nan 8.210 nan 0.000 0.505 340 N N 3.889 122.631 118.700 0.070 0.000 2.124 340 N HA -0.023 4.747 4.740 0.050 0.000 0.189 340 N C -0.076 175.484 175.510 0.083 0.000 1.050 340 N CA 1.008 54.094 53.050 0.060 0.000 0.848 340 N CB 0.449 38.968 38.487 0.052 0.000 1.027 340 N HN 0.583 nan 8.380 nan 0.000 0.435 341 S N -0.952 114.825 115.700 0.127 0.000 2.614 341 S HA 0.397 4.897 4.470 0.050 0.000 0.275 341 S C -1.979 172.758 174.600 0.228 0.000 1.161 341 S CA -0.641 57.644 58.200 0.142 0.000 0.969 341 S CB 1.682 64.921 63.200 0.065 0.000 1.059 341 S HN 0.436 nan 8.310 nan 0.000 0.482 342 W N 2.713 124.047 121.300 0.056 0.000 3.274 342 W HA 0.715 5.403 4.660 0.047 0.000 0.327 342 W C -1.444 175.111 176.519 0.061 0.000 1.172 342 W CA -0.183 57.195 57.345 0.055 0.000 1.217 342 W CB 1.211 30.710 29.460 0.064 0.000 1.376 342 W HN 0.839 nan 8.180 nan 0.000 0.507 343 A N 3.984 126.466 122.820 -0.563 0.000 2.539 343 A HA 0.658 5.008 4.320 0.050 0.000 0.296 343 A C -1.765 175.296 177.584 -0.872 0.000 1.073 343 A CA -0.758 51.040 52.037 -0.399 0.000 0.700 343 A CB 2.170 21.073 19.000 -0.161 0.000 1.296 343 A HN 0.608 nan 8.150 nan 0.000 0.405 344 Q N 1.186 120.756 119.800 -0.385 0.000 2.325 344 Q HA 0.591 4.961 4.340 0.050 0.000 0.270 344 Q C -0.076 175.795 176.000 -0.216 0.000 1.020 344 Q CA 0.146 55.723 55.803 -0.376 0.000 0.785 344 Q CB 1.597 30.316 28.738 -0.032 0.000 1.259 344 Q HN 2.279 nan 8.270 nan 0.000 0.452 345 G N 2.651 111.229 108.800 -0.370 0.000 2.315 345 G HA2 -0.100 3.890 3.960 0.050 0.000 0.296 345 G HA3 -0.100 3.890 3.960 0.050 0.000 0.296 345 G C -1.574 173.250 174.900 -0.127 0.000 1.289 345 G CA -1.016 44.041 45.100 -0.072 0.000 0.996 345 G HN 0.597 nan 8.290 nan 0.000 0.487 346 N N -0.031 118.693 118.700 0.040 0.000 2.419 346 N HA 0.522 5.292 4.740 0.050 0.000 0.264 346 N C -0.244 175.208 175.510 -0.095 0.000 1.031 346 N CA -0.175 52.860 53.050 -0.025 0.000 0.951 346 N CB 1.822 40.362 38.487 0.088 0.000 1.101 346 N HN 0.497 nan 8.380 nan 0.000 0.488 347 V N 3.551 123.302 119.914 -0.273 0.000 2.435 347 V HA 0.412 4.562 4.120 0.050 0.000 0.290 347 V C -0.717 175.111 176.094 -0.444 0.000 1.030 347 V CA -0.523 61.630 62.300 -0.245 0.000 0.881 347 V CB 0.454 32.149 31.823 -0.213 0.000 0.983 347 V HN 0.497 nan 8.190 nan 0.000 0.445 348 Y N 2.866 122.974 120.300 -0.320 0.000 2.485 348 Y HA 0.628 5.208 4.550 0.050 0.000 0.345 348 Y C 0.178 175.711 175.900 -0.612 0.000 0.998 348 Y CA -0.818 57.134 58.100 -0.246 0.000 1.059 348 Y CB 2.035 40.515 38.460 0.033 0.000 1.234 348 Y HN 0.563 nan 8.280 nan 0.000 0.461 349 H N 1.256 120.342 119.070 0.026 0.000 2.744 349 H HA 0.455 5.042 4.556 0.051 0.000 0.339 349 H C 0.513 175.816 175.328 -0.042 0.000 1.004 349 H CA -0.249 55.685 56.048 -0.189 0.000 1.257 349 H CB 1.587 31.274 29.762 -0.124 0.000 1.552 349 H HN 0.909 nan 8.280 nan 0.000 0.522 350 G N 2.107 110.884 108.800 -0.038 0.000 2.566 350 G HA2 -0.385 3.606 3.960 0.050 0.000 0.280 350 G HA3 -0.385 3.606 3.960 0.050 0.000 0.280 350 G C 0.980 176.189 174.900 0.514 0.000 1.225 350 G CA 0.686 45.956 45.100 0.283 0.000 0.966 350 G HN 0.703 nan 8.290 nan 0.000 0.560 351 T N -1.477 113.273 114.554 0.327 0.000 3.069 351 T HA 0.272 4.652 4.350 0.050 0.000 0.252 351 T C 0.818 175.650 174.700 0.220 0.000 1.053 351 T CA 0.729 62.989 62.100 0.265 0.000 0.964 351 T CB 0.066 69.033 68.868 0.165 0.000 1.005 351 T HN 0.623 nan 8.240 nan 0.000 0.532 352 N N 2.048 120.889 118.700 0.235 0.000 2.452 352 N HA 0.192 4.962 4.740 0.050 0.000 0.266 352 N C 1.089 176.776 175.510 0.296 0.000 1.175 352 N CA 0.146 53.327 53.050 0.218 0.000 0.945 352 N CB 1.118 39.722 38.487 0.196 0.000 1.063 352 N HN 0.452 nan 8.380 nan 0.000 0.472 353 G N 2.676 111.640 108.800 0.273 0.000 3.210 353 G HA2 -0.118 3.872 3.960 0.050 0.000 0.220 353 G HA3 -0.118 3.872 3.960 0.050 0.000 0.220 353 G C 0.618 175.769 174.900 0.418 0.000 1.200 353 G CA -0.307 45.008 45.100 0.358 0.000 0.834 353 G HN 0.583 nan 8.290 nan 0.000 0.524 354 N N 1.905 120.785 118.700 0.300 0.000 2.420 354 N HA 0.253 5.023 4.740 0.050 0.000 0.262 354 N C -2.307 173.149 175.510 -0.089 0.000 1.144 354 N CA -1.516 51.626 53.050 0.153 0.000 0.952 354 N CB 1.101 39.642 38.487 0.091 0.000 1.081 354 N HN -0.048 nan 8.380 nan 0.000 0.480 355 P HA 0.085 nan 4.420 nan 0.000 0.271 355 P C -0.974 176.147 177.300 -0.298 0.000 1.220 355 P CA -0.103 62.647 63.100 -0.584 0.000 0.768 355 P CB 0.705 32.298 31.700 -0.178 0.000 0.848 356 T N 4.633 118.989 114.554 -0.329 0.000 2.853 356 T HA 0.231 4.611 4.350 0.050 0.000 0.317 356 T C -0.159 174.473 174.700 -0.113 0.000 1.059 356 T CA -0.253 61.766 62.100 -0.136 0.000 0.954 356 T CB -0.455 68.366 68.868 -0.078 0.000 0.994 356 T HN 0.181 nan 8.240 nan 0.000 0.479 357 F N 4.024 123.899 119.950 -0.126 0.000 2.578 357 F HA 0.283 4.839 4.527 0.049 0.000 0.381 357 F C 0.416 176.147 175.800 -0.115 0.000 1.069 357 F CA 0.286 58.222 58.000 -0.107 0.000 1.231 357 F CB 0.234 39.193 39.000 -0.068 0.000 1.086 357 F HN 0.361 nan 8.300 nan 0.000 0.564 358 T N 6.550 120.457 114.554 -1.079 0.000 2.861 358 T HA 0.361 4.741 4.350 0.050 0.000 0.287 358 T C -0.830 173.255 174.700 -1.025 0.000 1.003 358 T CA -0.694 60.946 62.100 -0.768 0.000 0.977 358 T CB 1.639 70.209 68.868 -0.497 0.000 0.996 358 T HN 0.554 nan 8.240 nan 0.000 0.448 359 Q N 1.304 120.687 119.800 -0.695 0.000 3.429 359 Q HA 0.555 4.925 4.340 0.050 0.000 0.237 359 Q C -0.330 175.377 176.000 -0.487 0.000 0.932 359 Q CA -0.680 54.762 55.803 -0.602 0.000 0.731 359 Q CB 1.516 30.147 28.738 -0.178 0.000 1.383 359 Q HN 0.994 nan 8.270 nan 0.000 0.446 360 G N 0.822 109.025 108.800 -0.994 0.000 2.466 360 G HA2 0.156 4.146 3.960 0.050 0.000 0.291 360 G HA3 0.156 4.146 3.960 0.050 0.000 0.291 360 G C -1.211 173.233 174.900 -0.760 0.000 1.460 360 G CA -0.901 43.863 45.100 -0.561 0.000 0.791 360 G HN 0.230 nan 8.290 nan 0.000 0.505 361 N N -0.322 118.263 118.700 -0.193 0.000 2.395 361 N HA 0.309 5.079 4.740 0.050 0.000 0.246 361 N C 0.318 175.766 175.510 -0.102 0.000 1.246 361 N CA 0.592 53.623 53.050 -0.031 0.000 0.879 361 N CB 0.980 39.526 38.487 0.097 0.000 1.098 361 N HN 0.722 nan 8.380 nan 0.000 0.444 362 I N -2.456 118.093 120.570 -0.036 0.000 3.067 362 I HA 0.674 4.874 4.170 0.050 0.000 0.312 362 I C 0.138 176.282 176.117 0.045 0.000 1.073 362 I CA -1.469 59.827 61.300 -0.007 0.000 1.016 362 I CB 1.526 39.529 38.000 0.005 0.000 1.227 362 I HN 0.355 nan 8.210 nan 0.000 0.456 363 A N 2.688 125.548 122.820 0.067 0.000 2.565 363 A HA 0.107 4.457 4.320 0.050 0.000 0.237 363 A C 0.029 177.661 177.584 0.080 0.000 1.053 363 A CA -0.015 52.065 52.037 0.071 0.000 0.755 363 A CB -0.595 18.456 19.000 0.084 0.000 0.980 363 A HN 0.754 nan 8.150 nan 0.000 0.506 364 N N 1.284 120.021 118.700 0.063 0.000 2.411 364 N HA 0.035 4.805 4.740 0.050 0.000 0.261 364 N C 0.068 175.615 175.510 0.061 0.000 1.248 364 N CA 0.457 53.539 53.050 0.053 0.000 0.885 364 N CB 0.143 38.656 38.487 0.043 0.000 1.062 364 N HN 0.555 nan 8.380 nan 0.000 0.471 365 I N 2.297 122.881 120.570 0.024 0.000 2.668 365 I HA -0.109 4.091 4.170 0.050 0.000 0.285 365 I C 0.661 176.809 176.117 0.053 0.000 1.168 365 I CA 0.085 61.393 61.300 0.014 0.000 1.424 365 I CB 0.094 37.978 38.000 -0.193 0.000 1.377 365 I HN 0.205 nan 8.210 nan 0.000 0.560 366 N N 7.838 126.604 118.700 0.110 0.000 2.475 366 N HA 0.149 4.919 4.740 0.050 0.000 0.267 366 N C -0.345 175.218 175.510 0.089 0.000 1.169 366 N CA 0.017 53.123 53.050 0.093 0.000 0.947 366 N CB 0.707 39.256 38.487 0.104 0.000 1.061 366 N HN 0.445 nan 8.380 nan 0.000 0.466 367 R N 2.494 123.031 120.500 0.061 0.000 2.352 367 R HA 0.322 4.692 4.340 0.050 0.000 0.304 367 R C -2.344 173.991 176.300 0.058 0.000 1.104 367 R CA -1.396 54.738 56.100 0.056 0.000 0.991 367 R CB 0.925 31.235 30.300 0.017 0.000 1.140 367 R HN 0.328 nan 8.270 nan 0.000 0.540 368 P HA -0.041 nan 4.420 nan 0.000 0.262 368 P C 0.922 178.255 177.300 0.056 0.000 1.182 368 P CA 0.295 63.431 63.100 0.060 0.000 0.761 368 P CB 0.983 32.714 31.700 0.052 0.000 0.795 369 G N 2.303 111.138 108.800 0.058 0.000 2.442 369 G HA2 -0.239 3.751 3.960 0.050 0.000 0.219 369 G HA3 -0.239 3.751 3.960 0.050 0.000 0.219 369 G C 1.250 176.201 174.900 0.085 0.000 1.141 369 G CA 0.914 46.053 45.100 0.065 0.000 0.763 369 G HN 0.466 nan 8.290 nan 0.000 0.554 370 V N -0.316 119.643 119.914 0.075 0.000 2.688 370 V HA -0.052 4.098 4.120 0.050 0.000 0.256 370 V C 2.508 178.681 176.094 0.131 0.000 1.084 370 V CA 1.165 63.520 62.300 0.091 0.000 1.103 370 V CB -0.576 31.268 31.823 0.035 0.000 0.688 370 V HN 0.339 nan 8.190 nan 0.000 0.480 371 L N -0.594 120.689 121.223 0.100 0.000 2.558 371 L HA 0.311 4.681 4.340 0.050 0.000 0.225 371 L C 0.599 177.727 176.870 0.430 0.000 1.128 371 L CA 0.346 55.298 54.840 0.187 0.000 0.868 371 L CB 0.022 42.084 42.059 0.004 0.000 1.006 371 L HN 0.278 nan 8.230 nan 0.000 0.454 372 L N -0.218 121.153 121.223 0.247 0.000 2.334 372 L HA 0.333 4.704 4.340 0.050 0.000 0.276 372 L C -0.340 176.608 176.870 0.131 0.000 1.014 372 L CA -1.066 53.865 54.840 0.151 0.000 0.815 372 L CB 1.507 43.614 42.059 0.080 0.000 1.268 372 L HN 0.005 nan 8.230 nan 0.000 0.428 373 D N -0.120 120.323 120.400 0.072 0.000 2.447 373 D HA 0.034 4.704 4.640 0.050 0.000 0.265 373 D C 0.971 177.293 176.300 0.037 0.000 1.250 373 D CA -0.365 53.660 54.000 0.041 0.000 1.046 373 D CB 0.629 41.425 40.800 -0.007 0.000 1.095 373 D HN 0.475 nan 8.370 nan 0.000 0.555 374 S N -2.435 113.280 115.700 0.025 0.000 2.607 374 S HA -0.080 4.420 4.470 0.050 0.000 0.224 374 S C 1.438 176.048 174.600 0.017 0.000 0.969 374 S CA 0.734 58.949 58.200 0.024 0.000 0.927 374 S CB -1.154 62.059 63.200 0.021 0.000 0.772 374 S HN 0.695 nan 8.310 nan 0.000 0.533 375 T N -3.053 111.509 114.554 0.013 0.000 3.069 375 T HA 0.493 4.873 4.350 0.050 0.000 0.252 375 T C 1.398 176.105 174.700 0.011 0.000 1.053 375 T CA 0.487 62.593 62.100 0.010 0.000 0.964 375 T CB -0.210 68.661 68.868 0.005 0.000 1.005 375 T HN 1.156 nan 8.240 nan 0.000 0.532 376 G N 1.441 110.252 108.800 0.017 0.000 2.132 376 G HA2 -0.196 3.794 3.960 0.050 0.000 0.228 376 G HA3 -0.196 3.794 3.960 0.050 0.000 0.228 376 G C -0.093 174.812 174.900 0.008 0.000 1.000 376 G CA -0.271 44.840 45.100 0.018 0.000 0.693 376 G HN 0.710 nan 8.290 nan 0.000 0.515 377 R N -0.591 119.912 120.500 0.006 0.000 2.803 377 R HA 0.595 4.965 4.340 0.050 0.000 0.276 377 R C 0.749 177.039 176.300 -0.017 0.000 0.978 377 R CA -1.242 54.850 56.100 -0.013 0.000 0.939 377 R CB 1.205 31.500 30.300 -0.008 0.000 1.179 377 R HN 0.120 nan 8.270 nan 0.000 0.472 378 I N 2.495 123.022 120.570 -0.070 0.000 2.826 378 I HA -0.082 4.118 4.170 0.050 0.000 0.295 378 I C 0.857 176.945 176.117 -0.048 0.000 1.213 378 I CA 0.456 61.696 61.300 -0.101 0.000 1.436 378 I CB -0.080 37.675 38.000 -0.409 0.000 1.348 378 I HN 0.335 nan 8.210 nan 0.000 0.570 379 V N 5.942 125.832 119.914 -0.040 0.000 2.901 379 V HA -0.022 4.128 4.120 0.050 0.000 0.307 379 V C 0.761 176.796 176.094 -0.100 0.000 1.084 379 V CA 0.382 62.559 62.300 -0.204 0.000 1.184 379 V CB 1.132 32.575 31.823 -0.635 0.000 0.941 379 V HN 0.897 nan 8.190 nan 0.000 0.493 380 S N 5.148 120.789 115.700 -0.099 0.000 2.789 380 S HA 0.498 4.998 4.470 0.050 0.000 0.286 380 S C -0.845 173.714 174.600 -0.068 0.000 1.153 380 S CA -0.804 57.417 58.200 0.035 0.000 1.084 380 S CB 0.415 63.656 63.200 0.068 0.000 1.036 380 S HN 0.786 nan 8.310 nan 0.000 0.484 381 K N 2.944 123.298 120.400 -0.076 0.000 2.541 381 K HA 0.449 4.799 4.320 0.050 0.000 0.250 381 K C -0.743 175.932 176.600 0.124 0.000 0.950 381 K CA -0.415 55.757 56.287 -0.192 0.000 0.805 381 K CB 1.875 34.011 32.500 -0.606 0.000 1.166 381 K HN 0.558 nan 8.250 nan 0.000 0.430 382 S N 1.684 117.380 115.700 -0.007 0.000 2.632 382 S HA 0.085 4.585 4.470 0.050 0.000 0.271 382 S C -0.431 173.941 174.600 -0.381 0.000 1.260 382 S CA -0.365 57.845 58.200 0.017 0.000 1.010 382 S CB 0.348 63.553 63.200 0.007 0.000 0.965 382 S HN 0.711 nan 8.310 nan 0.000 0.534 383 H N 3.338 122.145 119.070 -0.439 0.000 3.216 383 H HA 0.131 4.710 4.556 0.037 0.000 0.283 383 H C -2.189 172.782 175.328 -0.594 0.000 0.921 383 H CA -0.905 54.722 56.048 -0.702 0.000 1.419 383 H CB 0.312 30.029 29.762 -0.076 0.000 1.460 383 H HN 0.272 nan 8.280 nan 0.000 0.553 384 P HA -0.009 nan 4.420 nan 0.000 0.271 384 P C -0.421 176.664 177.300 -0.359 0.000 1.233 384 P CA 0.203 62.915 63.100 -0.647 0.000 0.764 384 P CB 0.905 32.063 31.700 -0.903 0.000 0.825 385 Q N 1.500 121.188 119.800 -0.186 0.000 2.217 385 Q HA 0.089 4.459 4.340 0.050 0.000 0.217 385 Q C -0.403 176.016 176.000 0.698 0.000 0.844 385 Q CA -0.278 55.742 55.803 0.362 0.000 0.957 385 Q CB 0.074 29.010 28.738 0.329 0.000 1.127 385 Q HN 0.423 nan 8.270 nan 0.000 0.503 386 Y N 0.720 121.250 120.300 0.383 0.000 3.078 386 Y HA -0.280 4.300 4.550 0.049 0.000 0.202 386 Y C 1.645 177.985 175.900 0.733 0.000 1.322 386 Y CA 0.911 59.170 58.100 0.265 0.000 1.118 386 Y CB -2.746 35.514 38.460 -0.334 0.000 1.343 386 Y HN 0.295 nan 8.280 nan 0.000 0.499 387 T N -4.226 110.747 114.554 0.699 0.000 2.759 387 T HA -0.126 4.254 4.350 0.050 0.000 0.269 387 T C 1.903 176.970 174.700 0.612 0.000 1.042 387 T CA 1.324 63.851 62.100 0.711 0.000 1.140 387 T CB -0.374 68.709 68.868 0.358 0.000 0.864 387 T HN 0.728 nan 8.240 nan 0.000 0.455 388 G N -0.384 108.721 108.800 0.509 0.000 3.314 388 G HA2 0.342 4.332 3.960 0.050 0.000 0.238 388 G HA3 0.342 4.332 3.960 0.050 0.000 0.238 388 G C -0.370 174.680 174.900 0.250 0.000 1.184 388 G CA -0.662 44.629 45.100 0.319 0.000 0.806 388 G HN 0.586 nan 8.290 nan 0.000 0.536 389 Y N 0.464 120.932 120.300 0.280 0.000 2.323 389 Y HA 0.546 5.128 4.550 0.053 0.000 0.331 389 Y C 0.710 176.754 175.900 0.241 0.000 1.092 389 Y CA -0.935 57.260 58.100 0.159 0.000 1.150 389 Y CB 1.614 40.061 38.460 -0.021 0.000 1.200 389 Y HN 0.120 nan 8.280 nan 0.000 0.472 390 A N 4.429 127.399 122.820 0.250 0.000 2.293 390 A HA 0.417 4.767 4.320 0.050 0.000 0.302 390 A C -1.884 175.828 177.584 0.212 0.000 1.119 390 A CA -1.801 50.349 52.037 0.188 0.000 0.823 390 A CB 0.509 19.553 19.000 0.074 0.000 1.097 390 A HN 0.586 nan 8.150 nan 0.000 0.491 391 P HA -0.190 nan 4.420 nan 0.000 0.217 391 P C 1.416 178.733 177.300 0.029 0.000 1.148 391 P CA 2.175 65.264 63.100 -0.019 0.000 0.828 391 P CB 0.054 31.672 31.700 -0.137 0.000 0.783 392 S N -2.116 113.589 115.700 0.009 0.000 2.607 392 S HA -0.047 4.453 4.470 0.050 0.000 0.224 392 S C 1.280 175.858 174.600 -0.036 0.000 0.969 392 S CA 0.599 58.781 58.200 -0.030 0.000 0.927 392 S CB -0.803 62.373 63.200 -0.039 0.000 0.772 392 S HN 0.092 nan 8.310 nan 0.000 0.533 393 D N 0.577 120.975 120.400 -0.004 0.000 2.355 393 D HA 0.242 4.912 4.640 0.050 0.000 0.218 393 D C -0.307 175.804 176.300 -0.315 0.000 1.004 393 D CA 0.251 54.172 54.000 -0.132 0.000 0.880 393 D CB -0.014 40.719 40.800 -0.112 0.000 0.911 393 D HN 0.434 nan 8.370 nan 0.000 0.528 394 F N -0.031 119.739 119.950 -0.300 0.000 2.432 394 F HA 0.372 4.927 4.527 0.047 0.000 0.329 394 F C 0.338 175.936 175.800 -0.337 0.000 1.076 394 F CA -1.134 56.643 58.000 -0.371 0.000 1.018 394 F CB 1.957 40.651 39.000 -0.510 0.000 1.201 394 F HN -0.386 nan 8.300 nan 0.000 0.489 395 V N 1.969 121.768 119.914 -0.191 0.000 2.604 395 V HA 0.506 4.656 4.120 0.050 0.000 0.305 395 V C -0.653 175.307 176.094 -0.223 0.000 1.043 395 V CA -0.438 61.655 62.300 -0.345 0.000 0.888 395 V CB 1.876 33.215 31.823 -0.807 0.000 0.995 395 V HN 0.755 nan 8.190 nan 0.000 0.429 396 S N 4.434 120.017 115.700 -0.194 0.000 2.489 396 S HA 0.249 4.749 4.470 0.050 0.000 0.277 396 S C 1.088 175.566 174.600 -0.204 0.000 1.230 396 S CA -0.054 58.097 58.200 -0.082 0.000 1.053 396 S CB 1.333 64.509 63.200 -0.041 0.000 0.955 396 S HN 1.538 nan 8.310 nan 0.000 0.488 397 V N 4.741 124.474 119.914 -0.301 0.000 2.515 397 V HA 0.001 4.151 4.120 0.050 0.000 0.250 397 V C 2.353 178.344 176.094 -0.172 0.000 1.058 397 V CA 1.819 63.872 62.300 -0.412 0.000 1.064 397 V CB -0.962 30.326 31.823 -0.892 0.000 0.675 397 V HN 0.841 nan 8.190 nan 0.000 0.461 398 R N 1.470 121.941 120.500 -0.048 0.000 2.073 398 R HA -0.085 4.285 4.340 0.050 0.000 0.234 398 R C 2.434 178.726 176.300 -0.013 0.000 1.134 398 R CA 2.133 58.248 56.100 0.026 0.000 0.952 398 R CB -1.052 29.290 30.300 0.069 0.000 0.850 398 R HN 0.606 nan 8.270 nan 0.000 0.433 399 S N 0.356 116.028 115.700 -0.046 0.000 2.440 399 S HA -0.090 4.410 4.470 0.050 0.000 0.238 399 S C 1.018 175.582 174.600 -0.060 0.000 1.010 399 S CA 1.011 59.175 58.200 -0.059 0.000 0.972 399 S CB -0.073 63.073 63.200 -0.090 0.000 0.774 399 S HN 0.366 nan 8.310 nan 0.000 0.501 400 Q N -0.396 119.356 119.800 -0.081 0.000 2.204 400 Q HA 0.315 4.685 4.340 0.050 0.000 0.209 400 Q C 1.171 177.150 176.000 -0.035 0.000 0.861 400 Q CA 0.441 56.209 55.803 -0.058 0.000 0.971 400 Q CB 0.658 29.339 28.738 -0.096 0.000 1.095 400 Q HN 0.586 nan 8.270 nan 0.000 0.486 401 G N 0.588 109.377 108.800 -0.019 0.000 2.176 401 G HA2 -0.240 3.750 3.960 0.050 0.000 0.232 401 G HA3 -0.240 3.750 3.960 0.050 0.000 0.232 401 G C 0.264 175.184 174.900 0.033 0.000 0.986 401 G CA -0.046 45.060 45.100 0.009 0.000 0.643 401 G HN 0.500 nan 8.290 nan 0.000 0.522 402 A N 0.503 123.344 122.820 0.036 0.000 2.302 402 A HA 0.693 5.043 4.320 0.050 0.000 0.295 402 A C 1.391 179.096 177.584 0.202 0.000 1.235 402 A CA 0.333 52.450 52.037 0.133 0.000 0.876 402 A CB 0.505 19.564 19.000 0.098 0.000 1.133 402 A HN 0.134 nan 8.150 nan 0.000 0.533 403 K N 2.370 122.856 120.400 0.143 0.000 2.076 403 K HA 0.020 4.370 4.320 0.050 0.000 0.204 403 K C 1.447 177.995 176.600 -0.086 0.000 1.051 403 K CA 1.095 57.410 56.287 0.046 0.000 0.949 403 K CB -0.278 32.244 32.500 0.037 0.000 0.726 403 K HN 1.619 nan 8.250 nan 0.000 0.443 404 G N 3.298 111.915 108.800 -0.305 0.000 2.168 404 G HA2 -0.261 3.729 3.960 0.050 0.000 0.257 404 G HA3 -0.261 3.729 3.960 0.050 0.000 0.257 404 G C 0.194 174.784 174.900 -0.518 0.000 0.997 404 G CA 0.886 45.417 45.100 -0.947 0.000 0.708 404 G HN 0.499 nan 8.290 nan 0.000 0.520 405 D N -0.825 119.399 120.400 -0.293 0.000 2.340 405 D HA 0.385 5.055 4.640 0.050 0.000 0.217 405 D C 1.787 177.860 176.300 -0.379 0.000 1.081 405 D CA 0.389 54.254 54.000 -0.224 0.000 0.842 405 D CB -0.515 40.270 40.800 -0.026 0.000 0.934 405 D HN 1.438 nan 8.370 nan 0.000 0.511 406 G N -0.001 108.549 108.800 -0.418 0.000 2.166 406 G HA2 -0.377 3.613 3.960 0.050 0.000 0.260 406 G HA3 -0.377 3.613 3.960 0.050 0.000 0.260 406 G C 0.554 175.229 174.900 -0.374 0.000 0.986 406 G CA 1.141 46.018 45.100 -0.371 0.000 0.683 406 G HN 0.603 nan 8.290 nan 0.000 0.527 407 H N -1.704 117.437 119.070 0.117 0.000 2.276 407 H HA 0.203 4.790 4.556 0.052 0.000 0.199 407 H C 1.182 176.565 175.328 0.092 0.000 0.867 407 H CA 0.275 56.397 56.048 0.123 0.000 0.948 407 H CB 0.197 30.025 29.762 0.110 0.000 1.251 407 H HN 0.256 nan 8.280 nan 0.000 0.388 408 T N 2.468 117.125 114.554 0.171 0.000 2.888 408 T HA -0.032 4.348 4.350 0.050 0.000 0.301 408 T C -0.024 174.747 174.700 0.118 0.000 1.001 408 T CA -0.047 62.129 62.100 0.125 0.000 1.147 408 T CB 0.595 69.521 68.868 0.098 0.000 0.931 408 T HN 0.215 nan 8.240 nan 0.000 0.541 409 D N 2.252 122.720 120.400 0.114 0.000 2.346 409 D HA 0.005 4.675 4.640 0.050 0.000 0.260 409 D C 0.160 176.533 176.300 0.122 0.000 1.252 409 D CA -0.133 53.938 54.000 0.118 0.000 0.895 409 D CB 0.568 41.429 40.800 0.102 0.000 1.097 409 D HN 0.389 nan 8.370 nan 0.000 0.489 410 D N 2.553 123.045 120.400 0.153 0.000 2.363 410 D HA -0.006 4.664 4.640 0.050 0.000 0.214 410 D C 1.452 177.845 176.300 0.155 0.000 1.093 410 D CA 0.167 54.269 54.000 0.169 0.000 0.837 410 D CB 0.628 41.587 40.800 0.266 0.000 0.948 410 D HN 0.420 nan 8.370 nan 0.000 0.507 411 T N 0.691 115.333 114.554 0.146 0.000 2.607 411 T HA -0.264 4.116 4.350 0.050 0.000 0.267 411 T C 1.887 176.656 174.700 0.115 0.000 1.049 411 T CA 1.376 63.562 62.100 0.142 0.000 1.162 411 T CB -0.123 68.823 68.868 0.130 0.000 0.863 411 T HN 0.067 nan 8.240 nan 0.000 0.424 412 Q N 1.200 121.053 119.800 0.089 0.000 2.061 412 Q HA 0.026 4.396 4.340 0.050 0.000 0.204 412 Q C 2.405 178.438 176.000 0.055 0.000 0.984 412 Q CA 1.940 57.783 55.803 0.067 0.000 0.846 412 Q CB -0.943 27.826 28.738 0.052 0.000 0.902 412 Q HN 0.552 nan 8.270 nan 0.000 0.421 413 A N -0.097 122.753 122.820 0.050 0.000 1.908 413 A HA -0.163 4.187 4.320 0.050 0.000 0.218 413 A C 2.156 179.727 177.584 -0.022 0.000 1.181 413 A CA 1.578 53.626 52.037 0.019 0.000 0.627 413 A CB -0.729 18.285 19.000 0.024 0.000 0.818 413 A HN 0.464 nan 8.150 nan 0.000 0.445 414 I N -0.679 119.892 120.570 0.002 0.000 2.233 414 I HA -0.231 3.969 4.170 0.050 0.000 0.243 414 I C 2.445 178.571 176.117 0.015 0.000 1.093 414 I CA 1.258 62.530 61.300 -0.047 0.000 1.380 414 I CB -0.259 37.800 38.000 0.099 0.000 1.067 414 I HN 0.253 nan 8.210 nan 0.000 0.413 415 K N 0.690 121.169 120.400 0.132 0.000 2.074 415 K HA -0.214 4.136 4.320 0.050 0.000 0.209 415 K C 1.861 178.536 176.600 0.125 0.000 1.048 415 K CA 1.651 58.048 56.287 0.185 0.000 0.926 415 K CB -0.404 32.173 32.500 0.129 0.000 0.713 415 K HN 0.303 nan 8.250 nan 0.000 0.444 416 N N 0.639 119.369 118.700 0.050 0.000 2.188 416 N HA -0.112 4.658 4.740 0.050 0.000 0.184 416 N C 1.877 177.390 175.510 0.005 0.000 1.018 416 N CA 0.729 53.792 53.050 0.021 0.000 0.858 416 N CB -0.472 38.022 38.487 0.011 0.000 0.989 416 N HN -0.070 nan 8.380 nan 0.000 0.426 417 V N 0.749 120.626 119.914 -0.061 0.000 2.287 417 V HA -0.229 3.921 4.120 0.050 0.000 0.248 417 V C 1.829 177.887 176.094 -0.061 0.000 1.053 417 V CA 1.455 63.701 62.300 -0.090 0.000 1.027 417 V CB -0.654 30.925 31.823 -0.407 0.000 0.646 417 V HN 0.116 nan 8.190 nan 0.000 0.447 418 F N 0.730 120.721 119.950 0.069 0.000 2.146 418 F HA -0.055 4.501 4.527 0.048 0.000 0.298 418 F C 2.448 178.253 175.800 0.008 0.000 1.096 418 F CA 1.142 59.172 58.000 0.049 0.000 1.275 418 F CB -1.301 37.723 39.000 0.040 0.000 1.008 418 F HN 0.090 nan 8.300 nan 0.000 0.480 419 A N -0.054 122.858 122.820 0.153 0.000 1.933 419 A HA -0.202 4.148 4.320 0.050 0.000 0.218 419 A C 2.183 179.733 177.584 -0.056 0.000 1.175 419 A CA 1.767 53.831 52.037 0.045 0.000 0.628 419 A CB -0.586 18.429 19.000 0.024 0.000 0.814 419 A HN 0.375 nan 8.150 nan 0.000 0.444 420 K N -2.524 117.790 120.400 -0.143 0.000 2.186 420 K HA 0.037 4.387 4.320 0.050 0.000 0.202 420 K C 0.787 177.027 176.600 -0.599 0.000 1.052 420 K CA 1.226 57.242 56.287 -0.452 0.000 0.965 420 K CB -0.004 32.072 32.500 -0.707 0.000 0.746 420 K HN 0.636 nan 8.250 nan 0.000 0.457 421 Y N -0.534 119.753 120.300 -0.021 0.000 2.499 421 Y HA 0.357 4.937 4.550 0.050 0.000 0.253 421 Y C 0.221 176.124 175.900 0.004 0.000 1.105 421 Y CA -0.892 57.187 58.100 -0.036 0.000 1.240 421 Y CB 0.536 38.942 38.460 -0.089 0.000 1.289 421 Y HN -0.162 nan 8.280 nan 0.000 0.534 422 A N 1.002 123.936 122.820 0.190 0.000 2.537 422 A HA 0.400 4.750 4.320 0.050 0.000 0.260 422 A C 1.596 179.232 177.584 0.088 0.000 1.082 422 A CA 1.261 53.408 52.037 0.183 0.000 0.765 422 A CB -1.026 18.093 19.000 0.198 0.000 1.019 422 A HN 1.028 nan 8.150 nan 0.000 0.507 423 G N 0.767 109.606 108.800 0.065 0.000 2.194 423 G HA2 -0.295 3.695 3.960 0.050 0.000 0.236 423 G HA3 -0.295 3.695 3.960 0.050 0.000 0.236 423 G C 0.856 175.768 174.900 0.020 0.000 0.987 423 G CA 0.433 45.552 45.100 0.032 0.000 0.635 423 G HN 1.002 nan 8.290 nan 0.000 0.520 424 c N 0.048 118.670 118.600 0.037 0.000 2.535 424 c HA 0.522 5.122 4.570 0.050 0.000 0.310 424 c C 0.825 174.922 174.090 0.013 0.000 1.344 424 c CA 0.575 56.926 56.329 0.037 0.000 1.831 424 c CB 0.161 42.715 42.510 0.073 0.000 2.284 424 c HN 0.388 nan 8.230 nan 0.000 0.523 425 K N 0.752 121.149 120.400 -0.005 0.000 2.508 425 K HA 0.459 4.809 4.320 0.050 0.000 0.260 425 K C -1.130 175.327 176.600 -0.239 0.000 0.949 425 K CA -0.441 55.763 56.287 -0.139 0.000 0.834 425 K CB 1.481 33.896 32.500 -0.142 0.000 1.365 425 K HN -0.046 nan 8.250 nan 0.000 0.437 426 I N 3.054 123.324 120.570 -0.501 0.000 2.556 426 I HA 0.129 4.329 4.170 0.050 0.000 0.284 426 I C 0.740 176.663 176.117 -0.323 0.000 1.114 426 I CA -0.160 60.761 61.300 -0.631 0.000 1.418 426 I CB -0.119 37.006 38.000 -1.458 0.000 1.394 426 I HN 0.341 nan 8.210 nan 0.000 0.552 427 I N 6.777 127.272 120.570 -0.125 0.000 2.301 427 I HA 0.137 4.337 4.170 0.050 0.000 0.292 427 I C -0.262 175.915 176.117 0.100 0.000 1.046 427 I CA -0.356 60.911 61.300 -0.055 0.000 1.282 427 I CB 0.421 38.421 38.000 -0.000 0.000 1.409 427 I HN 0.362 nan 8.210 nan 0.000 0.484 428 F N 7.551 127.443 119.950 -0.097 0.000 2.350 428 F HA 0.395 4.953 4.527 0.052 0.000 0.365 428 F C -0.410 175.343 175.800 -0.079 0.000 1.122 428 F CA -0.719 57.289 58.000 0.014 0.000 1.139 428 F CB 0.408 39.407 39.000 -0.002 0.000 1.220 428 F HN 0.213 nan 8.300 nan 0.000 0.499 429 F N 5.504 125.211 119.950 -0.405 0.000 2.464 429 F HA 0.127 4.688 4.527 0.056 0.000 0.353 429 F C 0.917 176.424 175.800 -0.489 0.000 1.191 429 F CA -0.522 57.242 58.000 -0.394 0.000 1.147 429 F CB -0.166 38.636 39.000 -0.330 0.000 1.294 429 F HN 0.406 nan 8.300 nan 0.000 0.583 430 D N 2.808 123.084 120.400 -0.207 0.000 2.548 430 D HA 0.022 4.693 4.640 0.050 0.000 0.231 430 D C 0.421 176.816 176.300 0.158 0.000 1.142 430 D CA 0.133 54.126 54.000 -0.011 0.000 0.866 430 D CB 0.889 41.806 40.800 0.195 0.000 1.190 430 D HN 0.534 nan 8.370 nan 0.000 0.469 431 A N 1.539 124.445 122.820 0.145 0.000 2.587 431 A HA 0.424 4.774 4.320 0.050 0.000 0.233 431 A C 0.900 178.556 177.584 0.121 0.000 1.049 431 A CA 0.860 53.003 52.037 0.177 0.000 0.754 431 A CB 0.116 19.245 19.000 0.216 0.000 0.977 431 A HN 0.798 nan 8.150 nan 0.000 0.509 432 G N -0.123 108.702 108.800 0.042 0.000 2.352 432 G HA2 0.477 4.467 3.960 0.050 0.000 0.302 432 G HA3 0.477 4.467 3.960 0.050 0.000 0.302 432 G C -0.845 173.866 174.900 -0.314 0.000 1.370 432 G CA -0.188 44.764 45.100 -0.247 0.000 0.918 432 G HN 1.052 nan 8.290 nan 0.000 0.610 433 T N 0.891 115.168 114.554 -0.463 0.000 2.770 433 T HA 0.579 4.959 4.350 0.050 0.000 0.283 433 T C -1.291 173.210 174.700 -0.331 0.000 0.988 433 T CA -0.032 61.901 62.100 -0.278 0.000 0.957 433 T CB 0.835 69.599 68.868 -0.174 0.000 0.930 433 T HN 0.383 nan 8.240 nan 0.000 0.443 434 Y N 3.325 123.647 120.300 0.037 0.000 2.478 434 Y HA 0.395 4.973 4.550 0.048 0.000 0.329 434 Y C 0.356 176.316 175.900 0.101 0.000 0.967 434 Y CA -1.346 56.805 58.100 0.085 0.000 1.255 434 Y CB 0.514 39.072 38.460 0.162 0.000 1.103 434 Y HN 0.435 nan 8.280 nan 0.000 0.497 435 I N 5.723 126.407 120.570 0.190 0.000 2.517 435 I HA 0.136 4.336 4.170 0.050 0.000 0.285 435 I C 0.206 176.441 176.117 0.197 0.000 1.106 435 I CA -0.293 61.112 61.300 0.175 0.000 1.402 435 I CB 0.067 38.153 38.000 0.143 0.000 1.399 435 I HN 0.319 nan 8.210 nan 0.000 0.535 436 V N 3.359 123.394 119.914 0.203 0.000 2.769 436 V HA 0.730 4.880 4.120 0.050 0.000 0.312 436 V C 0.494 176.755 176.094 0.279 0.000 1.061 436 V CA -0.453 61.979 62.300 0.221 0.000 0.931 436 V CB 1.630 33.584 31.823 0.218 0.000 1.010 436 V HN 0.811 nan 8.190 nan 0.000 0.433 437 T N -1.753 112.952 114.554 0.251 0.000 3.043 437 T HA 0.358 4.738 4.350 0.050 0.000 0.272 437 T C -0.000 174.763 174.700 0.105 0.000 0.990 437 T CA 0.216 62.448 62.100 0.221 0.000 0.897 437 T CB -0.028 68.907 68.868 0.112 0.000 1.111 437 T HN 0.770 nan 8.240 nan 0.000 0.529 438 D N 0.820 121.339 120.400 0.198 0.000 2.570 438 D HA 0.360 5.030 4.640 0.050 0.000 0.244 438 D C -0.785 175.695 176.300 0.301 0.000 1.178 438 D CA -0.294 53.779 54.000 0.121 0.000 0.881 438 D CB 2.295 43.126 40.800 0.053 0.000 1.453 438 D HN -0.048 nan 8.370 nan 0.000 0.447 439 T N 1.641 116.349 114.554 0.257 0.000 2.849 439 T HA 0.083 4.463 4.350 0.050 0.000 0.289 439 T C 0.425 175.198 174.700 0.121 0.000 1.010 439 T CA 0.079 62.305 62.100 0.209 0.000 1.161 439 T CB -0.027 68.919 68.868 0.131 0.000 0.989 439 T HN 0.145 nan 8.240 nan 0.000 0.523 440 I N 3.968 124.583 120.570 0.075 0.000 2.307 440 I HA 0.192 4.392 4.170 0.050 0.000 0.287 440 I C 0.596 176.658 176.117 -0.091 0.000 1.054 440 I CA -0.276 61.055 61.300 0.051 0.000 1.218 440 I CB 0.757 38.820 38.000 0.105 0.000 1.398 440 I HN 0.701 nan 8.210 nan 0.000 0.475 441 Q N 6.497 126.234 119.800 -0.104 0.000 2.307 441 Q HA 0.346 4.716 4.340 0.050 0.000 0.259 441 Q C -0.626 175.094 176.000 -0.468 0.000 0.998 441 Q CA -0.323 55.348 55.803 -0.220 0.000 0.923 441 Q CB 0.759 29.417 28.738 -0.134 0.000 1.196 441 Q HN 0.532 nan 8.270 nan 0.000 0.416 442 I N 8.251 128.463 120.570 -0.597 0.000 2.322 442 I HA 0.237 4.437 4.170 0.050 0.000 0.292 442 I C -2.081 173.743 176.117 -0.488 0.000 1.060 442 I CA -2.259 58.532 61.300 -0.847 0.000 1.309 442 I CB 0.867 38.435 38.000 -0.719 0.000 1.415 442 I HN 0.467 nan 8.210 nan 0.000 0.492 443 P HA 0.112 nan 4.420 nan 0.000 0.275 443 P C -0.286 176.918 177.300 -0.161 0.000 1.228 443 P CA -0.373 62.610 63.100 -0.195 0.000 0.786 443 P CB 0.662 32.303 31.700 -0.097 0.000 0.927 444 A N 2.498 125.242 122.820 -0.126 0.000 2.609 444 A HA 0.332 4.682 4.320 0.050 0.000 0.232 444 A C 1.575 179.135 177.584 -0.040 0.000 1.041 444 A CA 1.137 53.125 52.037 -0.081 0.000 0.753 444 A CB -1.543 17.428 19.000 -0.048 0.000 0.966 444 A HN 0.904 nan 8.150 nan 0.000 0.510 445 G N 1.416 110.208 108.800 -0.014 0.000 2.213 445 G HA2 -0.182 3.808 3.960 0.050 0.000 0.236 445 G HA3 -0.182 3.808 3.960 0.050 0.000 0.236 445 G C 0.401 175.313 174.900 0.020 0.000 0.991 445 G CA 0.434 45.542 45.100 0.012 0.000 0.629 445 G HN 1.353 nan 8.290 nan 0.000 0.517 446 T N 1.607 116.164 114.554 0.006 0.000 2.856 446 T HA 0.582 4.962 4.350 0.050 0.000 0.292 446 T C 0.027 174.758 174.700 0.052 0.000 0.980 446 T CA 0.081 62.206 62.100 0.042 0.000 1.091 446 T CB 1.640 70.534 68.868 0.043 0.000 0.936 446 T HN 0.407 nan 8.240 nan 0.000 0.503 447 Q N 2.236 122.054 119.800 0.030 0.000 2.322 447 Q HA 0.542 4.912 4.340 0.050 0.000 0.265 447 Q C -0.803 175.215 176.000 0.031 0.000 0.985 447 Q CA -0.776 55.037 55.803 0.016 0.000 0.849 447 Q CB 1.670 30.342 28.738 -0.110 0.000 1.274 447 Q HN 0.446 nan 8.270 nan 0.000 0.449 448 I N 2.598 123.249 120.570 0.136 0.000 2.474 448 I HA 0.510 4.710 4.170 0.050 0.000 0.294 448 I C -0.574 175.665 176.117 0.203 0.000 1.005 448 I CA -0.915 60.514 61.300 0.215 0.000 1.113 448 I CB 1.780 39.941 38.000 0.269 0.000 1.289 448 I HN 0.352 nan 8.210 nan 0.000 0.436 449 V N 4.697 124.750 119.914 0.233 0.000 2.569 449 V HA 0.666 4.816 4.120 0.050 0.000 0.301 449 V C 0.522 176.695 176.094 0.131 0.000 1.044 449 V CA -0.558 61.904 62.300 0.271 0.000 0.874 449 V CB 1.753 33.845 31.823 0.449 0.000 1.002 449 V HN 0.945 nan 8.190 nan 0.000 0.424 450 G N 2.359 111.205 108.800 0.077 0.000 2.537 450 G HA2 0.601 4.591 3.960 0.050 0.000 0.297 450 G HA3 0.601 4.591 3.960 0.050 0.000 0.297 450 G C -0.534 174.356 174.900 -0.016 0.000 1.310 450 G CA -0.276 44.792 45.100 -0.053 0.000 1.027 450 G HN 0.708 nan 8.290 nan 0.000 0.505 451 E N -0.646 119.555 120.200 0.002 0.000 2.914 451 E HA 0.367 4.747 4.350 0.050 0.000 0.246 451 E C 0.587 177.325 176.600 0.230 0.000 1.146 451 E CA -0.280 56.218 56.400 0.163 0.000 0.803 451 E CB 0.859 30.642 29.700 0.137 0.000 1.409 451 E HN 0.693 nan 8.360 nan 0.000 0.392 452 V N 4.522 124.595 119.914 0.266 0.000 0.465 452 V HA -0.272 3.878 4.120 0.050 0.000 0.092 452 V C -0.404 175.907 176.094 0.361 0.000 2.474 452 V CA 2.775 65.259 62.300 0.305 0.000 3.680 452 V CB -0.711 31.293 31.823 0.302 0.000 0.959 452 V HN 0.829 nan 8.190 nan 0.000 1.006 453 W N 1.837 123.176 121.300 0.066 0.000 2.258 453 W HA 0.686 5.368 4.660 0.037 0.000 0.287 453 W C -0.606 175.930 176.519 0.029 0.000 1.024 453 W CA 0.135 57.483 57.345 0.006 0.000 1.377 453 W CB 1.221 30.666 29.460 -0.026 0.000 1.351 453 W HN 0.352 nan 8.180 nan 0.000 0.334 454 S N 2.793 118.388 115.700 -0.176 0.000 2.594 454 S HA 0.488 4.988 4.470 0.050 0.000 0.322 454 S C -0.484 173.959 174.600 -0.262 0.000 1.085 454 S CA -0.352 57.812 58.200 -0.060 0.000 1.116 454 S CB 1.793 64.990 63.200 -0.005 0.000 0.979 454 S HN 0.144 nan 8.310 nan 0.000 0.465 455 V N 5.048 124.858 119.914 -0.172 0.000 2.448 455 V HA 0.496 4.646 4.120 0.050 0.000 0.295 455 V C -0.293 175.829 176.094 0.047 0.000 1.025 455 V CA -0.668 61.481 62.300 -0.251 0.000 0.859 455 V CB 1.585 33.208 31.823 -0.334 0.000 0.988 455 V HN 0.767 nan 8.190 nan 0.000 0.431 456 I N 5.432 126.025 120.570 0.039 0.000 2.312 456 I HA 0.450 4.650 4.170 0.050 0.000 0.290 456 I C -0.104 176.103 176.117 0.150 0.000 1.008 456 I CA -0.059 61.349 61.300 0.181 0.000 1.226 456 I CB 1.240 39.378 38.000 0.230 0.000 1.371 456 I HN 0.562 nan 8.210 nan 0.000 0.468 457 M N 6.366 126.051 119.600 0.141 0.000 2.023 457 M HA 0.475 4.985 4.480 0.050 0.000 0.325 457 M C -0.013 176.342 176.300 0.092 0.000 0.963 457 M CA -0.412 54.951 55.300 0.105 0.000 0.928 457 M CB 1.022 33.699 32.600 0.130 0.000 1.429 457 M HN 0.650 nan 8.290 nan 0.000 0.404 458 G N 2.371 111.169 108.800 -0.003 0.000 2.403 458 G HA2 0.489 4.479 3.960 0.050 0.000 0.259 458 G HA3 0.489 4.479 3.960 0.050 0.000 0.259 458 G C -0.666 174.288 174.900 0.090 0.000 1.244 458 G CA -0.037 45.027 45.100 -0.059 0.000 0.849 458 G HN 0.647 nan 8.290 nan 0.000 0.532 459 T N -0.411 114.345 114.554 0.336 0.000 2.769 459 T HA 0.712 5.092 4.350 0.050 0.000 0.306 459 T C 0.151 175.054 174.700 0.338 0.000 1.400 459 T CA 1.309 63.592 62.100 0.306 0.000 1.007 459 T CB 0.975 69.954 68.868 0.185 0.000 1.392 459 T HN 2.437 nan 8.240 nan 0.000 0.500 460 G N 1.156 110.076 108.800 0.200 0.000 2.796 460 G HA2 -0.130 3.860 3.960 0.050 0.000 0.571 460 G HA3 -0.130 3.860 3.960 0.050 0.000 0.571 460 G C 0.968 175.876 174.900 0.015 0.000 1.370 460 G CA 0.554 45.711 45.100 0.094 0.000 0.856 460 G HN 1.935 nan 8.290 nan 0.000 0.538 461 S N -0.340 115.330 115.700 -0.051 0.000 2.440 461 S HA -0.176 4.324 4.470 0.050 0.000 0.238 461 S C 2.025 176.508 174.600 -0.195 0.000 1.010 461 S CA 2.075 60.219 58.200 -0.093 0.000 0.972 461 S CB -0.159 62.993 63.200 -0.080 0.000 0.774 461 S HN 1.196 nan 8.310 nan 0.000 0.501 462 K N 0.769 120.942 120.400 -0.377 0.000 2.280 462 K HA 0.032 4.382 4.320 0.050 0.000 0.202 462 K C 0.336 176.549 176.600 -0.646 0.000 1.047 462 K CA 1.159 57.064 56.287 -0.637 0.000 0.942 462 K CB -0.339 31.552 32.500 -1.016 0.000 0.739 462 K HN 0.529 nan 8.250 nan 0.000 0.457 463 F N -0.889 119.061 119.950 -0.001 0.000 2.724 463 F HA 0.221 4.781 4.527 0.055 0.000 0.310 463 F C 1.072 176.877 175.800 0.007 0.000 1.107 463 F CA -0.022 57.984 58.000 0.011 0.000 1.218 463 F CB 0.329 39.352 39.000 0.039 0.000 1.042 463 F HN 0.001 nan 8.300 nan 0.000 0.540 464 T N -4.386 110.210 114.554 0.070 0.000 3.069 464 T HA 0.101 4.481 4.350 0.050 0.000 0.252 464 T C 0.171 174.810 174.700 -0.102 0.000 1.053 464 T CA 0.019 62.125 62.100 0.010 0.000 0.964 464 T CB 0.131 68.990 68.868 -0.016 0.000 1.005 464 T HN -0.033 nan 8.240 nan 0.000 0.532 465 D N 1.442 121.779 120.400 -0.105 0.000 2.441 465 D HA 0.203 4.873 4.640 0.050 0.000 0.231 465 D C 0.788 176.985 176.300 -0.171 0.000 1.073 465 D CA -1.246 52.626 54.000 -0.214 0.000 0.850 465 D CB 0.706 41.398 40.800 -0.180 0.000 1.062 465 D HN 0.322 nan 8.370 nan 0.000 0.524 466 Y N 2.905 123.133 120.300 -0.119 0.000 2.569 466 Y HA -0.012 4.568 4.550 0.050 0.000 0.293 466 Y C 0.850 176.608 175.900 -0.237 0.000 1.144 466 Y CA 0.881 58.926 58.100 -0.093 0.000 1.321 466 Y CB -1.044 37.600 38.460 0.306 0.000 0.982 466 Y HN 0.252 nan 8.280 nan 0.000 0.558 467 N N -0.197 118.467 118.700 -0.060 0.000 2.395 467 N HA -0.088 4.682 4.740 0.050 0.000 0.175 467 N C 0.221 175.676 175.510 -0.091 0.000 1.029 467 N CA 0.693 53.734 53.050 -0.015 0.000 0.897 467 N CB 0.015 38.479 38.487 -0.039 0.000 0.991 467 N HN 0.137 nan 8.380 nan 0.000 0.441 468 N N 0.903 119.518 118.700 -0.142 0.000 2.914 468 N HA 0.203 4.973 4.740 0.050 0.000 0.304 468 N C -2.845 172.565 175.510 -0.167 0.000 1.727 468 N CA -2.196 50.779 53.050 -0.126 0.000 0.986 468 N CB 0.493 38.926 38.487 -0.091 0.000 1.297 468 N HN 0.037 nan 8.380 nan 0.000 0.490 469 P HA 0.107 nan 4.420 nan 0.000 0.271 469 P C -0.751 176.503 177.300 -0.077 0.000 1.216 469 P CA 0.073 62.980 63.100 -0.323 0.000 0.776 469 P CB 1.015 32.203 31.700 -0.853 0.000 0.881 470 Q N 2.461 122.308 119.800 0.077 0.000 2.372 470 Q HA 0.424 4.794 4.340 0.050 0.000 0.273 470 Q C -2.543 173.636 176.000 0.298 0.000 1.078 470 Q CA -2.130 53.784 55.803 0.186 0.000 0.806 470 Q CB 2.557 31.388 28.738 0.154 0.000 1.332 470 Q HN 0.366 nan 8.270 nan 0.000 0.435 471 P HA 0.115 nan 4.420 nan 0.000 0.281 471 P C 0.429 177.803 177.300 0.122 0.000 1.252 471 P CA -0.139 63.041 63.100 0.134 0.000 0.778 471 P CB 1.249 33.003 31.700 0.091 0.000 0.895 472 V N 3.863 123.674 119.914 -0.171 0.000 2.302 472 V HA -0.045 4.105 4.120 0.050 0.000 0.243 472 V C 1.283 177.278 176.094 -0.166 0.000 1.036 472 V CA 1.468 63.555 62.300 -0.354 0.000 1.020 472 V CB -0.392 31.108 31.823 -0.540 0.000 0.657 472 V HN 0.447 nan 8.190 nan 0.000 0.453 473 I N 0.885 121.313 120.570 -0.237 0.000 2.404 473 I HA 0.436 4.636 4.170 0.050 0.000 0.293 473 I C -0.238 175.738 176.117 -0.235 0.000 0.992 473 I CA -0.295 60.814 61.300 -0.319 0.000 1.149 473 I CB 1.185 38.773 38.000 -0.686 0.000 1.315 473 I HN 0.294 nan 8.210 nan 0.000 0.446 474 Q N 5.055 124.722 119.800 -0.222 0.000 2.348 474 Q HA 0.460 4.830 4.340 0.050 0.000 0.265 474 Q C -1.402 174.409 176.000 -0.314 0.000 0.998 474 Q CA -0.506 55.179 55.803 -0.196 0.000 0.831 474 Q CB 1.891 30.552 28.738 -0.129 0.000 1.251 474 Q HN 0.508 nan 8.270 nan 0.000 0.456 475 V N 4.306 123.991 119.914 -0.382 0.000 2.322 475 V HA 0.532 4.682 4.120 0.050 0.000 0.258 475 V C 0.525 176.296 176.094 -0.539 0.000 1.074 475 V CA 0.362 62.290 62.300 -0.620 0.000 0.909 475 V CB 0.002 31.162 31.823 -1.104 0.000 1.090 475 V HN 0.986 nan 8.190 nan 0.000 0.486 476 G N 4.256 112.821 108.800 -0.391 0.000 2.731 476 G HA2 0.221 4.211 3.960 0.050 0.000 0.686 476 G HA3 0.221 4.211 3.960 0.050 0.000 0.686 476 G C -0.048 174.745 174.900 -0.178 0.000 1.395 476 G CA -0.419 44.528 45.100 -0.255 0.000 0.870 476 G HN 1.405 nan 8.290 nan 0.000 0.591 477 A N 2.641 125.388 122.820 -0.121 0.000 2.366 477 A HA 0.796 5.146 4.320 0.050 0.000 0.249 477 A C -1.510 176.038 177.584 -0.061 0.000 1.084 477 A CA -0.606 51.382 52.037 -0.082 0.000 0.794 477 A CB 0.071 19.036 19.000 -0.059 0.000 1.034 477 A HN 0.723 nan 8.150 nan 0.000 0.491 478 P HA 0.248 nan 4.420 nan 0.000 0.266 478 P C 0.969 178.257 177.300 -0.021 0.000 1.195 478 P CA 1.869 64.951 63.100 -0.029 0.000 0.768 478 P CB 0.572 32.259 31.700 -0.021 0.000 0.838 479 G N 1.470 110.264 108.800 -0.011 0.000 2.179 479 G HA2 -0.252 3.738 3.960 0.050 0.000 0.260 479 G HA3 -0.252 3.738 3.960 0.050 0.000 0.260 479 G C 0.433 175.332 174.900 -0.001 0.000 0.977 479 G CA 0.404 45.500 45.100 -0.008 0.000 0.641 479 G HN 0.818 nan 8.290 nan 0.000 0.533 480 S N -0.943 114.756 115.700 -0.002 0.000 2.645 480 S HA 0.777 5.277 4.470 0.050 0.000 0.266 480 S C 0.042 174.666 174.600 0.040 0.000 1.258 480 S CA 0.561 58.761 58.200 0.000 0.000 0.990 480 S CB 2.198 65.379 63.200 -0.032 0.000 0.967 480 S HN 1.332 nan 8.310 nan 0.000 0.556 481 S N -0.541 115.186 115.700 0.044 0.000 2.533 481 S HA 0.798 5.298 4.470 0.050 0.000 0.271 481 S C -0.416 174.225 174.600 0.068 0.000 1.143 481 S CA 0.163 58.418 58.200 0.092 0.000 0.891 481 S CB 0.957 64.205 63.200 0.080 0.000 1.105 481 S HN 1.892 nan 8.310 nan 0.000 0.468 482 G N 1.223 110.075 108.800 0.086 0.000 2.352 482 G HA2 0.261 4.251 3.960 0.050 0.000 0.302 482 G HA3 0.261 4.251 3.960 0.050 0.000 0.302 482 G C -1.636 173.308 174.900 0.074 0.000 1.370 482 G CA -0.472 44.667 45.100 0.064 0.000 0.918 482 G HN 0.911 nan 8.290 nan 0.000 0.610 483 V N 0.038 119.995 119.914 0.072 0.000 2.521 483 V HA 0.441 4.591 4.120 0.050 0.000 0.286 483 V C 0.280 176.417 176.094 0.072 0.000 1.034 483 V CA -0.126 62.229 62.300 0.092 0.000 1.045 483 V CB 1.058 32.937 31.823 0.093 0.000 0.974 483 V HN 0.750 nan 8.190 nan 0.000 0.480 484 V N 5.646 125.620 119.914 0.100 0.000 2.419 484 V HA 0.380 4.530 4.120 0.050 0.000 0.287 484 V C -0.238 175.978 176.094 0.204 0.000 1.017 484 V CA -0.627 61.709 62.300 0.061 0.000 0.844 484 V CB 1.546 33.295 31.823 -0.122 0.000 1.011 484 V HN 0.937 nan 8.190 nan 0.000 0.429 485 E N 5.356 125.698 120.200 0.236 0.000 2.158 485 E HA 0.624 5.005 4.350 0.050 0.000 0.271 485 E C -1.076 175.729 176.600 0.341 0.000 0.911 485 E CA -0.529 56.106 56.400 0.393 0.000 0.767 485 E CB 2.663 32.562 29.700 0.331 0.000 1.120 485 E HN 0.549 nan 8.360 nan 0.000 0.405 486 I N 2.747 123.569 120.570 0.419 0.000 2.389 486 I HA 0.282 4.482 4.170 0.050 0.000 0.288 486 I C -0.188 176.117 176.117 0.313 0.000 0.999 486 I CA -0.581 60.910 61.300 0.318 0.000 1.129 486 I CB 1.676 39.870 38.000 0.323 0.000 1.288 486 I HN 0.468 nan 8.210 nan 0.000 0.444 487 T N 0.268 114.951 114.554 0.215 0.000 2.893 487 T HA 0.355 4.735 4.350 0.050 0.000 0.293 487 T C -0.337 174.455 174.700 0.153 0.000 1.027 487 T CA -0.729 61.455 62.100 0.141 0.000 0.988 487 T CB 1.871 70.703 68.868 -0.060 0.000 1.043 487 T HN 0.638 nan 8.240 nan 0.000 0.461 488 D N 1.349 121.852 120.400 0.172 0.000 2.689 488 D HA -0.116 4.554 4.640 0.050 0.000 0.237 488 D C -0.344 175.933 176.300 -0.038 0.000 1.148 488 D CA 0.762 54.852 54.000 0.149 0.000 0.656 488 D CB -0.687 40.276 40.800 0.271 0.000 1.050 488 D HN 0.513 nan 8.370 nan 0.000 0.426 489 M N 0.238 119.715 119.600 -0.204 0.000 2.602 489 M HA 0.518 5.028 4.480 0.050 0.000 0.312 489 M C 0.112 176.011 176.300 -0.669 0.000 1.181 489 M CA -0.731 54.259 55.300 -0.515 0.000 0.910 489 M CB 2.362 34.525 32.600 -0.727 0.000 1.723 489 M HN -0.136 nan 8.290 nan 0.000 0.459 490 I N 2.288 122.365 120.570 -0.821 0.000 2.436 490 I HA 0.455 4.655 4.170 0.050 0.000 0.289 490 I C -1.281 174.412 176.117 -0.706 0.000 1.010 490 I CA -0.437 60.450 61.300 -0.689 0.000 1.098 490 I CB 1.451 38.972 38.000 -0.798 0.000 1.266 490 I HN 0.451 nan 8.210 nan 0.000 0.434 491 F N 3.848 123.730 119.950 -0.114 0.000 2.449 491 F HA 0.683 5.240 4.527 0.050 0.000 0.342 491 F C 0.665 176.429 175.800 -0.060 0.000 1.127 491 F CA -0.542 57.404 58.000 -0.091 0.000 0.975 491 F CB 1.988 40.949 39.000 -0.066 0.000 1.146 491 F HN 0.399 nan 8.300 nan 0.000 0.444 492 T N 0.560 115.190 114.554 0.127 0.000 2.626 492 T HA 0.724 5.104 4.350 0.050 0.000 0.299 492 T C -0.966 173.750 174.700 0.027 0.000 1.181 492 T CA -0.351 61.788 62.100 0.065 0.000 1.053 492 T CB 1.523 70.425 68.868 0.057 0.000 1.566 492 T HN 0.710 nan 8.240 nan 0.000 0.486 493 T N -0.383 114.187 114.554 0.027 0.000 2.896 493 T HA 0.698 5.078 4.350 0.050 0.000 0.297 493 T C -0.995 173.736 174.700 0.051 0.000 1.108 493 T CA -0.901 61.209 62.100 0.017 0.000 1.004 493 T CB 1.759 70.634 68.868 0.012 0.000 1.159 493 T HN 0.666 nan 8.240 nan 0.000 0.499 494 R N 0.764 121.305 120.500 0.068 0.000 2.310 494 R HA 0.602 4.973 4.340 0.050 0.000 0.324 494 R C 0.564 176.909 176.300 0.075 0.000 0.955 494 R CA -0.482 55.657 56.100 0.064 0.000 0.830 494 R CB 0.607 30.951 30.300 0.074 0.000 1.154 494 R HN 0.989 nan 8.270 nan 0.000 0.458 495 G N 4.011 112.844 108.800 0.055 0.000 2.634 495 G HA2 0.256 4.246 3.960 0.050 0.000 0.255 495 G HA3 0.256 4.246 3.960 0.050 0.000 0.255 495 G C -2.158 172.786 174.900 0.072 0.000 1.205 495 G CA -1.037 44.107 45.100 0.074 0.000 0.884 495 G HN 0.535 nan 8.290 nan 0.000 0.549 496 P HA 0.363 nan 4.420 nan 0.000 0.272 496 P C -0.559 176.836 177.300 0.158 0.000 1.223 496 P CA -0.084 63.104 63.100 0.146 0.000 0.784 496 P CB 1.609 33.406 31.700 0.162 0.000 0.923 497 A N 1.563 124.506 122.820 0.206 0.000 3.448 497 A HA 0.496 4.846 4.320 0.050 0.000 0.232 497 A C 1.137 178.879 177.584 0.264 0.000 1.018 497 A CA 0.085 52.250 52.037 0.213 0.000 0.996 497 A CB -0.328 18.783 19.000 0.186 0.000 1.283 497 A HN 0.445 nan 8.150 nan 0.000 0.586 498 A N -0.328 122.615 122.820 0.205 0.000 2.186 498 A HA 0.217 4.567 4.320 0.050 0.000 0.219 498 A C 1.749 179.580 177.584 0.411 0.000 1.159 498 A CA 1.973 54.163 52.037 0.255 0.000 0.680 498 A CB -0.155 18.599 19.000 -0.410 0.000 0.787 498 A HN 1.298 nan 8.150 nan 0.000 0.467 499 G N -1.608 107.343 108.800 0.253 0.000 3.192 499 G HA2 0.421 4.411 3.960 0.050 0.000 0.239 499 G HA3 0.421 4.411 3.960 0.050 0.000 0.239 499 G C 0.518 175.552 174.900 0.223 0.000 1.084 499 G CA 0.521 45.720 45.100 0.165 0.000 0.784 499 G HN 0.706 nan 8.290 nan 0.000 0.540 500 A N 1.012 123.990 122.820 0.263 0.000 2.476 500 A HA 0.500 4.850 4.320 0.050 0.000 0.275 500 A C 0.073 177.726 177.584 0.115 0.000 1.133 500 A CA -0.041 52.077 52.037 0.135 0.000 0.797 500 A CB -0.284 18.712 19.000 -0.006 0.000 1.081 500 A HN 0.295 nan 8.150 nan 0.000 0.510 501 I N 4.704 125.323 120.570 0.082 0.000 2.281 501 I HA 0.083 4.283 4.170 0.050 0.000 0.293 501 I C 0.946 177.059 176.117 -0.007 0.000 1.085 501 I CA -0.079 61.259 61.300 0.063 0.000 1.257 501 I CB 0.693 38.753 38.000 0.100 0.000 1.430 501 I HN 0.710 nan 8.210 nan 0.000 0.489 502 I N 5.752 126.309 120.570 -0.022 0.000 2.226 502 I HA -0.111 4.089 4.170 0.050 0.000 0.245 502 I C 0.480 176.542 176.117 -0.091 0.000 1.100 502 I CA 1.171 62.428 61.300 -0.072 0.000 1.374 502 I CB -0.015 37.979 38.000 -0.010 0.000 1.057 502 I HN 0.269 nan 8.210 nan 0.000 0.413 503 V N 1.196 121.099 119.914 -0.019 0.000 2.569 503 V HA 0.228 4.378 4.120 0.050 0.000 0.301 503 V C -0.442 175.705 176.094 0.088 0.000 1.044 503 V CA -0.738 61.545 62.300 -0.028 0.000 0.874 503 V CB 1.856 33.697 31.823 0.029 0.000 1.002 503 V HN 0.163 nan 8.190 nan 0.000 0.424 504 E N 5.234 125.467 120.200 0.054 0.000 2.113 504 E HA 0.215 4.595 4.350 0.050 0.000 0.273 504 E C -1.406 175.249 176.600 0.092 0.000 0.924 504 E CA -0.624 55.844 56.400 0.113 0.000 0.764 504 E CB 1.062 30.813 29.700 0.086 0.000 1.104 504 E HN 0.704 nan 8.360 nan 0.000 0.406 505 W N 6.555 127.819 121.300 -0.059 0.000 2.329 505 W HA 0.295 4.993 4.660 0.063 0.000 0.312 505 W C -0.627 175.848 176.519 -0.074 0.000 1.054 505 W CA -0.541 56.764 57.345 -0.066 0.000 1.245 505 W CB 1.091 30.524 29.460 -0.044 0.000 1.255 505 W HN 0.663 nan 8.180 nan 0.000 0.436 506 N N 3.271 121.938 118.700 -0.056 0.000 2.460 506 N HA -0.066 4.704 4.740 0.050 0.000 0.193 506 N C 0.452 175.978 175.510 0.026 0.000 1.080 506 N CA 0.095 53.143 53.050 -0.005 0.000 0.869 506 N CB 0.683 39.132 38.487 -0.063 0.000 1.201 506 N HN 0.182 nan 8.380 nan 0.000 0.457 507 V N 1.745 121.592 119.914 -0.111 0.000 2.872 507 V HA -0.046 4.104 4.120 0.050 0.000 0.307 507 V C -0.388 175.809 176.094 0.172 0.000 1.072 507 V CA 0.233 62.515 62.300 -0.029 0.000 1.148 507 V CB 0.412 32.129 31.823 -0.177 0.000 0.954 507 V HN 0.318 nan 8.190 nan 0.000 0.490 508 H N 3.648 122.773 119.070 0.092 0.000 2.621 508 H HA 0.423 5.011 4.556 0.053 0.000 0.360 508 H C -0.281 175.127 175.328 0.134 0.000 1.163 508 H CA -0.914 55.211 56.048 0.128 0.000 1.194 508 H CB 1.261 31.073 29.762 0.082 0.000 1.649 508 H HN 0.757 nan 8.280 nan 0.000 0.532 509 D N 4.618 124.968 120.400 -0.084 0.000 2.548 509 D HA -0.000 4.670 4.640 0.050 0.000 0.231 509 D C -2.111 174.337 176.300 0.248 0.000 1.142 509 D CA -0.509 53.559 54.000 0.115 0.000 0.866 509 D CB 0.648 41.502 40.800 0.090 0.000 1.190 509 D HN 0.414 nan 8.370 nan 0.000 0.469 510 P HA 0.005 nan 4.420 nan 0.000 0.272 510 P C -0.357 177.031 177.300 0.148 0.000 1.223 510 P CA -0.394 62.794 63.100 0.147 0.000 0.784 510 P CB 0.467 32.226 31.700 0.100 0.000 0.923 511 S N 1.398 117.172 115.700 0.123 0.000 3.298 511 S HA 0.121 4.621 4.470 0.050 0.000 0.389 511 S C 1.571 176.223 174.600 0.087 0.000 1.186 511 S CA 1.497 59.756 58.200 0.099 0.000 1.034 511 S CB -1.438 61.801 63.200 0.066 0.000 0.735 511 S HN 0.939 nan 8.310 nan 0.000 0.510 512 G N 3.542 112.398 108.800 0.093 0.000 2.179 512 G HA2 -0.262 3.728 3.960 0.050 0.000 0.257 512 G HA3 -0.262 3.728 3.960 0.050 0.000 0.257 512 G C -0.257 174.684 174.900 0.069 0.000 1.010 512 G CA 0.180 45.325 45.100 0.075 0.000 0.736 512 G HN 0.709 nan 8.290 nan 0.000 0.513 513 Q N -0.288 119.562 119.800 0.084 0.000 2.533 513 Q HA 0.413 4.783 4.340 0.050 0.000 0.251 513 Q C -0.130 175.915 176.000 0.076 0.000 0.966 513 Q CA -0.385 55.458 55.803 0.066 0.000 0.714 513 Q CB 1.454 30.231 28.738 0.064 0.000 1.284 513 Q HN 0.521 nan 8.270 nan 0.000 0.478 514 Q N 0.981 120.812 119.800 0.052 0.000 2.332 514 Q HA 0.385 4.755 4.340 0.050 0.000 0.263 514 Q C 0.382 176.334 176.000 -0.080 0.000 0.979 514 Q CA 0.473 56.304 55.803 0.048 0.000 0.885 514 Q CB 0.846 29.592 28.738 0.014 0.000 1.218 514 Q HN 0.857 nan 8.270 nan 0.000 0.405 515 A N 2.158 124.945 122.820 -0.054 0.000 2.826 515 A HA -0.299 4.051 4.320 0.050 0.000 0.274 515 A C 1.206 178.825 177.584 0.058 0.000 1.443 515 A CA 0.984 52.956 52.037 -0.108 0.000 0.833 515 A CB -2.003 16.626 19.000 -0.619 0.000 1.023 515 A HN 0.885 nan 8.150 nan 0.000 0.600 516 A N -1.269 121.612 122.820 0.103 0.000 2.119 516 A HA 0.493 4.843 4.320 0.050 0.000 0.217 516 A C 1.304 179.018 177.584 0.218 0.000 1.153 516 A CA 1.753 53.873 52.037 0.137 0.000 0.692 516 A CB -0.259 18.805 19.000 0.108 0.000 0.799 516 A HN 2.357 nan 8.150 nan 0.000 0.458 517 A N -0.326 122.652 122.820 0.264 0.000 2.273 517 A HA 0.656 5.006 4.320 0.050 0.000 0.315 517 A C 0.226 178.098 177.584 0.479 0.000 1.256 517 A CA 0.177 52.442 52.037 0.379 0.000 0.851 517 A CB 0.404 19.629 19.000 0.374 0.000 1.172 517 A HN 1.284 nan 8.150 nan 0.000 0.508 518 G N -0.091 109.021 108.800 0.520 0.000 2.523 518 G HA2 0.759 4.749 3.960 0.050 0.000 0.291 518 G HA3 0.759 4.749 3.960 0.050 0.000 0.291 518 G C -1.160 173.749 174.900 0.015 0.000 1.450 518 G CA 0.194 45.341 45.100 0.079 0.000 0.790 518 G HN 1.739 nan 8.290 nan 0.000 0.496 519 A N -0.254 122.271 122.820 -0.491 0.000 2.414 519 A HA 0.884 5.234 4.320 0.050 0.000 0.306 519 A C -1.481 175.831 177.584 -0.453 0.000 1.054 519 A CA -0.619 51.330 52.037 -0.146 0.000 0.724 519 A CB 1.377 20.422 19.000 0.075 0.000 1.267 519 A HN 0.716 nan 8.150 nan 0.000 0.418 520 W N 0.761 122.044 121.300 -0.028 0.000 2.915 520 W HA 0.316 5.008 4.660 0.054 0.000 0.337 520 W C -0.721 175.782 176.519 -0.026 0.000 1.102 520 W CA -0.424 56.891 57.345 -0.049 0.000 1.224 520 W CB 1.597 30.998 29.460 -0.098 0.000 1.416 520 W HN 0.896 nan 8.180 nan 0.000 0.503 521 D N 1.737 122.267 120.400 0.218 0.000 2.701 521 D HA -0.141 4.529 4.640 0.050 0.000 0.235 521 D C -0.300 175.875 176.300 -0.208 0.000 1.155 521 D CA 1.351 55.441 54.000 0.149 0.000 0.649 521 D CB -1.001 40.059 40.800 0.433 0.000 1.050 521 D HN 0.123 nan 8.370 nan 0.000 0.425 522 T N 0.756 115.005 114.554 -0.509 0.000 2.840 522 T HA 0.385 4.765 4.350 0.050 0.000 0.287 522 T C -0.271 174.093 174.700 -0.560 0.000 0.991 522 T CA -0.603 61.241 62.100 -0.428 0.000 0.964 522 T CB 2.008 70.795 68.868 -0.135 0.000 0.954 522 T HN 0.101 nan 8.240 nan 0.000 0.438 523 H N 1.896 120.974 119.070 0.013 0.000 2.865 523 H HA 0.510 5.046 4.556 -0.034 0.000 0.372 523 H C -1.156 174.197 175.328 0.043 0.000 1.173 523 H CA -1.082 55.026 56.048 0.101 0.000 1.147 523 H CB 1.847 31.745 29.762 0.227 0.000 1.805 523 H HN 0.264 nan 8.280 nan 0.000 0.553 524 L N 2.859 124.216 121.223 0.224 0.000 2.335 524 L HA 0.215 4.585 4.340 0.050 0.000 0.268 524 L C -0.287 176.652 176.870 0.115 0.000 1.037 524 L CA -0.108 54.822 54.840 0.150 0.000 0.895 524 L CB 0.349 42.494 42.059 0.143 0.000 1.266 524 L HN 0.402 nan 8.230 nan 0.000 0.439 525 I N 4.821 125.467 120.570 0.126 0.000 2.282 525 I HA 0.265 4.465 4.170 0.050 0.000 0.290 525 I C 0.159 176.377 176.117 0.169 0.000 1.090 525 I CA -0.157 61.267 61.300 0.207 0.000 1.231 525 I CB 0.492 38.688 38.000 0.326 0.000 1.434 525 I HN 0.392 nan 8.210 nan 0.000 0.487 526 I N 5.598 126.203 120.570 0.058 0.000 2.306 526 I HA 0.527 4.727 4.170 0.050 0.000 0.288 526 I C 0.990 177.019 176.117 -0.147 0.000 1.036 526 I CA -0.209 61.065 61.300 -0.043 0.000 1.221 526 I CB 0.826 38.785 38.000 -0.067 0.000 1.385 526 I HN 0.742 nan 8.210 nan 0.000 0.472 527 G N 3.998 112.763 108.800 -0.059 0.000 2.796 527 G HA2 0.107 4.097 3.960 0.050 0.000 0.226 527 G HA3 0.107 4.097 3.960 0.050 0.000 0.226 527 G C 0.619 175.493 174.900 -0.042 0.000 1.381 527 G CA -0.143 44.905 45.100 -0.088 0.000 0.867 527 G HN 1.558 nan 8.290 nan 0.000 0.552 528 G N -2.427 106.339 108.800 -0.056 0.000 2.148 528 G HA2 0.244 4.234 3.960 0.050 0.000 0.254 528 G HA3 0.244 4.234 3.960 0.050 0.000 0.254 528 G C 0.914 175.879 174.900 0.109 0.000 0.981 528 G CA 1.822 46.927 45.100 0.007 0.000 0.670 528 G HN 2.994 nan 8.290 nan 0.000 0.528 529 T N -2.562 112.052 114.554 0.100 0.000 2.924 529 T HA 0.853 5.233 4.350 0.050 0.000 0.291 529 T C 0.455 175.175 174.700 0.033 0.000 1.045 529 T CA 0.356 62.533 62.100 0.128 0.000 1.015 529 T CB 1.991 71.009 68.868 0.250 0.000 1.103 529 T HN 1.850 nan 8.240 nan 0.000 0.496 530 A N 1.870 124.704 122.820 0.022 0.000 2.584 530 A HA 0.218 4.568 4.320 0.050 0.000 0.239 530 A C 1.013 178.361 177.584 -0.393 0.000 1.043 530 A CA 0.412 52.388 52.037 -0.102 0.000 0.756 530 A CB -0.967 18.038 19.000 0.009 0.000 0.963 530 A HN 1.047 nan 8.150 nan 0.000 0.511 531 Q N 0.671 120.210 119.800 -0.435 0.000 2.461 531 Q HA -0.241 4.129 4.340 0.050 0.000 0.273 531 Q C 1.094 176.854 176.000 -0.400 0.000 1.163 531 Q CA 0.918 56.374 55.803 -0.579 0.000 0.929 531 Q CB -1.986 26.030 28.738 -1.203 0.000 1.334 531 Q HN 1.270 nan 8.270 nan 0.000 0.499 532 S N -2.429 113.154 115.700 -0.196 0.000 2.535 532 S HA 0.309 4.809 4.470 0.050 0.000 0.214 532 S C 1.430 176.000 174.600 -0.050 0.000 0.980 532 S CA 0.607 58.762 58.200 -0.075 0.000 0.907 532 S CB 0.884 64.076 63.200 -0.013 0.000 0.790 532 S HN 0.963 nan 8.310 nan 0.000 0.510 533 G N 1.196 109.955 108.800 -0.069 0.000 2.175 533 G HA2 -0.246 3.744 3.960 0.050 0.000 0.265 533 G HA3 -0.246 3.744 3.960 0.050 0.000 0.265 533 G C 0.162 175.026 174.900 -0.060 0.000 0.979 533 G CA 0.755 45.826 45.100 -0.048 0.000 0.663 533 G HN 0.639 nan 8.290 nan 0.000 0.533 534 L N -0.071 121.108 121.223 -0.074 0.000 3.059 534 L HA 0.420 4.790 4.340 0.050 0.000 0.298 534 L C 0.590 177.392 176.870 -0.113 0.000 1.304 534 L CA -0.304 54.472 54.840 -0.107 0.000 0.855 534 L CB 0.700 42.696 42.059 -0.105 0.000 1.266 534 L HN 0.233 nan 8.230 nan 0.000 0.572 535 Q N -0.870 118.872 119.800 -0.096 0.000 2.486 535 Q HA 0.284 4.654 4.340 0.050 0.000 0.274 535 Q C 0.858 176.807 176.000 -0.085 0.000 1.076 535 Q CA -0.533 55.224 55.803 -0.076 0.000 0.872 535 Q CB 3.014 31.718 28.738 -0.058 0.000 1.383 535 Q HN 0.034 nan 8.270 nan 0.000 0.478 536 V N 0.811 120.688 119.914 -0.062 0.000 2.594 536 V HA -0.123 4.027 4.120 0.050 0.000 0.253 536 V C 1.496 177.548 176.094 -0.071 0.000 1.069 536 V CA 2.672 64.931 62.300 -0.069 0.000 1.082 536 V CB -0.586 31.211 31.823 -0.044 0.000 0.680 536 V HN 0.961 nan 8.190 nan 0.000 0.469 537 G N -1.279 107.485 108.800 -0.059 0.000 2.484 537 G HA2 -0.182 3.808 3.960 0.050 0.000 0.218 537 G HA3 -0.182 3.808 3.960 0.050 0.000 0.218 537 G C 1.320 176.184 174.900 -0.059 0.000 1.130 537 G CA 0.821 45.889 45.100 -0.053 0.000 0.784 537 G HN 0.590 nan 8.290 nan 0.000 0.543 538 Q N -1.097 118.658 119.800 -0.074 0.000 2.349 538 Q HA 0.236 4.606 4.340 0.050 0.000 0.209 538 Q C 0.878 176.811 176.000 -0.112 0.000 0.920 538 Q CA 0.489 56.244 55.803 -0.080 0.000 0.901 538 Q CB 0.625 29.316 28.738 -0.078 0.000 1.021 538 Q HN 0.332 nan 8.270 nan 0.000 0.519 539 c N 2.528 121.042 118.600 -0.144 0.000 3.290 539 c HA 0.409 5.009 4.570 0.050 0.000 0.206 539 c C -2.389 171.582 174.090 -0.198 0.000 1.639 539 c CA -1.703 54.498 56.329 -0.213 0.000 1.408 539 c CB -0.291 42.040 42.510 -0.297 0.000 2.197 539 c HN 0.258 nan 8.230 nan 0.000 0.508 540 P HA 0.063 nan 4.420 nan 0.000 0.269 540 P C 1.055 178.256 177.300 -0.164 0.000 1.217 540 P CA 0.738 63.755 63.100 -0.139 0.000 0.783 540 P CB 0.635 32.274 31.700 -0.102 0.000 0.898 541 T N -2.930 111.495 114.554 -0.214 0.000 3.051 541 T HA -0.126 4.254 4.350 0.050 0.000 0.269 541 T C 1.713 176.336 174.700 -0.129 0.000 1.127 541 T CA 1.274 63.199 62.100 -0.292 0.000 1.107 541 T CB -1.158 67.232 68.868 -0.796 0.000 0.898 541 T HN 0.498 nan 8.240 nan 0.000 0.517 542 S N 1.251 116.893 115.700 -0.097 0.000 2.442 542 S HA 0.181 4.681 4.470 0.050 0.000 0.236 542 S C 2.138 176.745 174.600 0.011 0.000 1.007 542 S CA 0.792 58.974 58.200 -0.029 0.000 0.965 542 S CB -1.193 61.986 63.200 -0.036 0.000 0.773 542 S HN 1.372 nan 8.310 nan 0.000 0.504 543 G N 0.529 109.327 108.800 -0.004 0.000 2.159 543 G HA2 -0.205 3.785 3.960 0.050 0.000 0.256 543 G HA3 -0.205 3.785 3.960 0.050 0.000 0.256 543 G C 0.900 175.820 174.900 0.033 0.000 0.977 543 G CA 0.317 45.446 45.100 0.049 0.000 0.652 543 G HN 1.296 nan 8.290 nan 0.000 0.531 544 A N 0.113 122.927 122.820 -0.010 0.000 2.070 544 A HA 0.339 4.689 4.320 0.050 0.000 0.220 544 A C 2.633 180.212 177.584 -0.009 0.000 1.159 544 A CA 2.132 54.164 52.037 -0.008 0.000 0.656 544 A CB -0.644 18.343 19.000 -0.020 0.000 0.800 544 A HN 1.587 nan 8.150 nan 0.000 0.453 545 G N -1.394 107.385 108.800 -0.036 0.000 2.534 545 G HA2 0.292 4.282 3.960 0.050 0.000 0.217 545 G HA3 0.292 4.282 3.960 0.050 0.000 0.217 545 G C 1.374 176.279 174.900 0.009 0.000 1.128 545 G CA 0.845 45.919 45.100 -0.043 0.000 0.784 545 G HN 1.409 nan 8.290 nan 0.000 0.542 546 G N 0.925 109.768 108.800 0.072 0.000 2.665 546 G HA2 -0.438 3.552 3.960 0.050 0.000 0.326 546 G HA3 -0.438 3.552 3.960 0.050 0.000 0.326 546 G C 1.039 176.074 174.900 0.225 0.000 1.231 546 G CA 0.840 46.032 45.100 0.154 0.000 0.992 546 G HN 0.525 nan 8.290 nan 0.000 0.549 547 N N 1.773 120.597 118.700 0.207 0.000 2.461 547 N HA 0.076 4.846 4.740 0.050 0.000 0.188 547 N C 1.611 177.334 175.510 0.355 0.000 1.134 547 N CA 0.477 53.755 53.050 0.380 0.000 0.878 547 N CB 0.007 38.681 38.487 0.311 0.000 0.972 547 N HN 0.375 nan 8.380 nan 0.000 0.456 548 N N -0.229 118.570 118.700 0.165 0.000 2.457 548 N HA -0.003 4.767 4.740 0.050 0.000 0.180 548 N C 0.334 175.863 175.510 0.032 0.000 1.050 548 N CA 0.653 53.759 53.050 0.093 0.000 0.906 548 N CB 0.079 38.579 38.487 0.022 0.000 0.968 548 N HN 0.301 nan 8.380 nan 0.000 0.445 549 c N 0.254 118.809 118.600 -0.075 0.000 2.974 549 c HA 0.349 4.949 4.570 0.050 0.000 0.282 549 c C 0.345 174.160 174.090 -0.458 0.000 1.292 549 c CA -0.986 55.110 56.329 -0.388 0.000 1.710 549 c CB -1.738 40.328 42.510 -0.739 0.000 2.036 549 c HN 0.069 nan 8.230 nan 0.000 0.629 550 F N 1.143 121.098 119.950 0.008 0.000 2.533 550 F HA 0.308 4.864 4.527 0.049 0.000 0.378 550 F C 1.238 177.097 175.800 0.097 0.000 1.070 550 F CA 0.280 58.379 58.000 0.165 0.000 1.172 550 F CB 0.644 39.767 39.000 0.204 0.000 1.085 550 F HN 0.268 nan 8.300 nan 0.000 0.552 551 A N 2.651 125.646 122.820 0.291 0.000 2.055 551 A HA 0.270 4.620 4.320 0.050 0.000 0.205 551 A C -0.187 177.525 177.584 0.213 0.000 1.235 551 A CA 0.891 53.021 52.037 0.155 0.000 0.822 551 A CB -0.185 18.826 19.000 0.017 0.000 0.903 551 A HN 0.797 nan 8.150 nan 0.000 0.473 552 D N -5.230 115.374 120.400 0.341 0.000 2.798 552 D HA 0.264 4.934 4.640 0.050 0.000 0.265 552 D C -0.093 176.426 176.300 0.365 0.000 1.223 552 D CA -0.597 53.576 54.000 0.289 0.000 0.743 552 D CB -0.126 40.757 40.800 0.139 0.000 1.276 552 D HN -0.116 nan 8.370 nan 0.000 0.421 553 F N 0.447 120.452 119.950 0.093 0.000 2.243 553 F HA 0.484 5.042 4.527 0.052 0.000 0.287 553 F C -0.238 175.412 175.800 -0.250 0.000 1.067 553 F CA 0.571 58.515 58.000 -0.093 0.000 1.304 553 F CB 0.378 39.313 39.000 -0.108 0.000 1.087 553 F HN 0.413 nan 8.300 nan 0.000 0.513 554 L N -0.368 120.769 121.223 -0.144 0.000 2.422 554 L HA 0.560 4.930 4.340 0.050 0.000 0.264 554 L C 0.641 177.447 176.870 -0.105 0.000 0.984 554 L CA -0.236 54.464 54.840 -0.233 0.000 0.819 554 L CB 1.471 43.437 42.059 -0.155 0.000 1.330 554 L HN 0.136 nan 8.230 nan 0.000 0.410 555 G N 3.533 112.231 108.800 -0.170 0.000 2.464 555 G HA2 0.037 4.027 3.960 0.050 0.000 0.214 555 G HA3 0.037 4.027 3.960 0.050 0.000 0.214 555 G C -0.123 174.772 174.900 -0.008 0.000 1.218 555 G CA 1.038 46.092 45.100 -0.078 0.000 0.794 555 G HN 0.580 nan 8.290 nan 0.000 0.542 556 L N -0.906 120.314 121.223 -0.006 0.000 2.409 556 L HA 0.587 4.957 4.340 0.050 0.000 0.272 556 L C -1.250 175.720 176.870 0.168 0.000 0.980 556 L CA -0.977 53.911 54.840 0.080 0.000 0.826 556 L CB 2.203 44.290 42.059 0.045 0.000 1.268 556 L HN 0.345 nan 8.230 nan 0.000 0.407 557 H N 5.715 124.850 119.070 0.108 0.000 2.638 557 H HA 0.494 5.079 4.556 0.048 0.000 0.317 557 H C -1.329 174.085 175.328 0.142 0.000 1.006 557 H CA -0.929 55.205 56.048 0.144 0.000 1.222 557 H CB 1.089 30.974 29.762 0.205 0.000 1.419 557 H HN 0.632 nan 8.280 nan 0.000 0.489 558 L N 5.813 127.174 121.223 0.230 0.000 2.260 558 L HA 0.203 4.573 4.340 0.050 0.000 0.289 558 L C 0.962 177.800 176.870 -0.052 0.000 1.057 558 L CA -0.552 54.336 54.840 0.080 0.000 0.811 558 L CB 1.198 43.276 42.059 0.031 0.000 1.184 558 L HN 0.660 nan 8.230 nan 0.000 0.429 559 T N -1.140 113.333 114.554 -0.135 0.000 2.824 559 T HA 0.191 4.571 4.350 0.050 0.000 0.277 559 T C 1.275 175.944 174.700 -0.052 0.000 0.975 559 T CA -0.583 61.391 62.100 -0.210 0.000 0.966 559 T CB 1.486 70.203 68.868 -0.252 0.000 1.054 559 T HN 0.472 nan 8.240 nan 0.000 0.533 560 S N 0.960 116.631 115.700 -0.049 0.000 2.368 560 S HA -0.051 4.449 4.470 0.050 0.000 0.226 560 S C 2.095 176.712 174.600 0.028 0.000 1.044 560 S CA 1.690 59.883 58.200 -0.012 0.000 1.062 560 S CB -1.079 62.109 63.200 -0.020 0.000 0.931 560 S HN 0.994 nan 8.310 nan 0.000 0.440 561 G N 1.129 109.952 108.800 0.037 0.000 3.026 561 G HA2 0.195 4.185 3.960 0.050 0.000 0.208 561 G HA3 0.195 4.185 3.960 0.050 0.000 0.208 561 G C 0.364 175.389 174.900 0.208 0.000 1.169 561 G CA 0.293 45.438 45.100 0.076 0.000 0.788 561 G HN 0.579 nan 8.290 nan 0.000 0.533 562 S N -0.035 115.780 115.700 0.192 0.000 2.632 562 S HA 0.687 5.187 4.470 0.050 0.000 0.271 562 S C 0.129 174.831 174.600 0.170 0.000 1.260 562 S CA 0.103 58.449 58.200 0.244 0.000 1.010 562 S CB 1.802 65.171 63.200 0.281 0.000 0.965 562 S HN 0.568 nan 8.310 nan 0.000 0.534 563 S N 0.069 115.804 115.700 0.057 0.000 2.632 563 S HA 0.907 5.407 4.470 0.050 0.000 0.289 563 S C -0.806 173.828 174.600 0.056 0.000 1.115 563 S CA -0.610 57.521 58.200 -0.115 0.000 0.889 563 S CB 1.417 64.370 63.200 -0.411 0.000 1.116 563 S HN 1.922 nan 8.310 nan 0.000 0.486 564 A N 1.003 123.780 122.820 -0.072 0.000 2.540 564 A HA 0.629 4.979 4.320 0.050 0.000 0.297 564 A C -1.938 175.668 177.584 0.037 0.000 1.056 564 A CA -0.612 51.284 52.037 -0.235 0.000 0.700 564 A CB 0.921 19.352 19.000 -0.948 0.000 1.280 564 A HN 1.241 nan 8.150 nan 0.000 0.398 565 Y N 3.412 123.663 120.300 -0.082 0.000 2.356 565 Y HA 0.679 5.268 4.550 0.066 0.000 0.334 565 Y C -1.203 174.419 175.900 -0.464 0.000 0.958 565 Y CA -0.699 57.358 58.100 -0.072 0.000 1.196 565 Y CB 0.934 39.279 38.460 -0.191 0.000 1.137 565 Y HN 0.573 nan 8.280 nan 0.000 0.485 566 L N 6.744 127.610 121.223 -0.595 0.000 2.316 566 L HA 0.430 4.800 4.340 0.050 0.000 0.280 566 L C -0.767 175.734 176.870 -0.615 0.000 1.006 566 L CA -0.587 53.901 54.840 -0.587 0.000 0.836 566 L CB 1.754 43.553 42.059 -0.434 0.000 1.221 566 L HN 0.640 nan 8.230 nan 0.000 0.418 567 E N 2.300 122.091 120.200 -0.683 0.000 2.155 567 E HA 0.467 4.847 4.350 0.050 0.000 0.264 567 E C 0.805 177.154 176.600 -0.418 0.000 0.886 567 E CA 0.064 56.090 56.400 -0.625 0.000 0.752 567 E CB 1.368 30.673 29.700 -0.659 0.000 1.133 567 E HN 0.754 nan 8.360 nan 0.000 0.414 568 G N 4.522 113.148 108.800 -0.290 0.000 2.162 568 G HA2 -0.347 3.643 3.960 0.050 0.000 0.260 568 G HA3 -0.347 3.643 3.960 0.050 0.000 0.260 568 G C 0.313 175.292 174.900 0.132 0.000 0.976 568 G CA 0.480 45.567 45.100 -0.022 0.000 0.655 568 G HN 0.563 nan 8.290 nan 0.000 0.533 569 M N 0.400 120.023 119.600 0.039 0.000 2.246 569 M HA 0.455 4.965 4.480 0.050 0.000 0.350 569 M C -0.200 176.311 176.300 0.352 0.000 1.406 569 M CA -0.562 54.828 55.300 0.151 0.000 1.089 569 M CB 0.201 32.805 32.600 0.007 0.000 1.782 569 M HN 0.238 nan 8.290 nan 0.000 0.457 570 W N 6.562 128.060 121.300 0.330 0.000 2.329 570 W HA 0.491 5.216 4.660 0.109 0.000 0.312 570 W C -1.751 174.881 176.519 0.187 0.000 1.054 570 W CA -1.006 56.439 57.345 0.165 0.000 1.245 570 W CB 1.000 30.459 29.460 -0.003 0.000 1.255 570 W HN 0.341 nan 8.180 nan 0.000 0.436 571 V N 7.768 127.828 119.914 0.244 0.000 2.247 571 V HA 0.063 4.213 4.120 0.050 0.000 0.262 571 V C -0.878 175.246 176.094 0.050 0.000 1.096 571 V CA -0.523 61.844 62.300 0.112 0.000 0.895 571 V CB -0.238 31.616 31.823 0.051 0.000 1.141 571 V HN 0.477 nan 8.190 nan 0.000 0.478 572 W N 6.841 127.863 121.300 -0.464 0.000 2.278 572 W HA 0.509 5.206 4.660 0.062 0.000 0.317 572 W C -0.567 175.679 176.519 -0.456 0.000 1.030 572 W CA -1.200 55.684 57.345 -0.768 0.000 1.334 572 W CB 1.169 29.655 29.460 -1.623 0.000 1.215 572 W HN 0.341 nan 8.180 nan 0.000 0.405 573 L N 6.985 127.748 121.223 -0.767 0.000 2.369 573 L HA 0.452 4.822 4.340 0.050 0.000 0.279 573 L C 0.350 176.508 176.870 -1.187 0.000 1.108 573 L CA 0.150 54.516 54.840 -0.789 0.000 0.852 573 L CB 0.150 41.760 42.059 -0.748 0.000 1.169 573 L HN 0.614 nan 8.230 nan 0.000 0.452 574 A N 4.907 126.908 122.820 -1.365 0.000 2.545 574 A HA 0.053 4.403 4.320 0.050 0.000 0.253 574 A C 1.218 178.179 177.584 -1.037 0.000 1.074 574 A CA 0.212 51.132 52.037 -1.862 0.000 0.760 574 A CB -0.194 18.111 19.000 -1.158 0.000 1.005 574 A HN 0.831 nan 8.150 nan 0.000 0.506 575 D N 2.104 121.958 120.400 -0.910 0.000 2.305 575 D HA -0.046 4.624 4.640 0.050 0.000 0.206 575 D C 0.494 176.691 176.300 -0.171 0.000 0.974 575 D CA 1.053 54.625 54.000 -0.712 0.000 0.871 575 D CB -0.025 40.084 40.800 -1.152 0.000 0.947 575 D HN 0.830 nan 8.370 nan 0.000 0.516 576 H N -1.348 117.682 119.070 -0.067 0.000 2.990 576 H HA 0.377 4.962 4.556 0.048 0.000 0.343 576 H C -1.672 173.745 175.328 0.148 0.000 1.270 576 H CA -0.748 55.347 56.048 0.077 0.000 1.118 576 H CB 1.366 31.239 29.762 0.185 0.000 1.861 576 H HN -0.216 nan 8.280 nan 0.000 0.544 577 D N 1.386 121.900 120.400 0.189 0.000 2.313 577 D HA 0.167 4.837 4.640 0.050 0.000 0.239 577 D C 0.981 177.407 176.300 0.210 0.000 1.142 577 D CA -0.441 53.633 54.000 0.123 0.000 0.847 577 D CB 1.038 41.880 40.800 0.070 0.000 1.082 577 D HN 0.551 nan 8.370 nan 0.000 0.480 578 L N 2.509 123.844 121.223 0.187 0.000 2.395 578 L HA 0.050 4.421 4.340 0.050 0.000 0.218 578 L C 1.131 178.053 176.870 0.085 0.000 1.130 578 L CA 0.559 55.516 54.840 0.195 0.000 0.826 578 L CB 0.173 42.392 42.059 0.267 0.000 0.941 578 L HN 0.351 nan 8.230 nan 0.000 0.451 579 D N -1.876 118.562 120.400 0.063 0.000 2.473 579 D HA 0.055 4.725 4.640 0.050 0.000 0.242 579 D C 1.912 178.214 176.300 0.004 0.000 1.106 579 D CA 0.327 54.337 54.000 0.015 0.000 0.854 579 D CB 0.729 41.537 40.800 0.014 0.000 1.192 579 D HN -0.012 nan 8.370 nan 0.000 0.503 580 S N 0.089 115.797 115.700 0.015 0.000 2.561 580 S HA 0.303 4.803 4.470 0.050 0.000 0.225 580 S C 1.030 175.631 174.600 0.002 0.000 0.977 580 S CA 0.616 58.817 58.200 0.003 0.000 0.926 580 S CB 0.388 63.588 63.200 0.001 0.000 0.769 580 S HN 0.506 nan 8.310 nan 0.000 0.533 581 G N -0.316 108.488 108.800 0.006 0.000 2.721 581 G HA2 0.315 4.305 3.960 0.050 0.000 0.686 581 G HA3 0.315 4.305 3.960 0.050 0.000 0.686 581 G C 0.576 175.481 174.900 0.008 0.000 1.236 581 G CA -0.540 44.558 45.100 -0.003 0.000 0.786 581 G HN 1.105 nan 8.290 nan 0.000 0.616 582 G N -0.133 108.668 108.800 0.003 0.000 2.176 582 G HA2 0.073 4.063 3.960 0.050 0.000 0.253 582 G HA3 0.073 4.063 3.960 0.050 0.000 0.253 582 G C 1.130 176.040 174.900 0.017 0.000 0.979 582 G CA 1.288 46.391 45.100 0.004 0.000 0.641 582 G HN 2.514 nan 8.290 nan 0.000 0.530 583 S N -0.336 115.395 115.700 0.052 0.000 3.491 583 S HA -0.229 4.271 4.470 0.050 0.000 0.371 583 S C 0.528 175.183 174.600 0.091 0.000 0.980 583 S CA 1.755 60.015 58.200 0.100 0.000 1.204 583 S CB -0.950 62.204 63.200 -0.078 0.000 0.915 583 S HN 1.034 nan 8.310 nan 0.000 0.482 584 Q N 0.793 120.655 119.800 0.103 0.000 2.332 584 Q HA 0.230 4.600 4.340 0.050 0.000 0.263 584 Q C 0.655 176.711 176.000 0.092 0.000 0.979 584 Q CA 0.032 55.870 55.803 0.058 0.000 0.885 584 Q CB 0.535 29.284 28.738 0.018 0.000 1.218 584 Q HN 0.531 nan 8.270 nan 0.000 0.405 585 Q N 2.301 122.130 119.800 0.047 0.000 2.421 585 Q HA 0.359 4.729 4.340 0.050 0.000 0.255 585 Q C -0.069 175.897 176.000 -0.055 0.000 1.013 585 Q CA 0.191 56.020 55.803 0.045 0.000 0.895 585 Q CB 0.580 29.332 28.738 0.024 0.000 1.271 585 Q HN 0.566 nan 8.270 nan 0.000 0.460 586 I N -2.832 117.702 120.570 -0.060 0.000 2.865 586 I HA 0.536 4.736 4.170 0.050 0.000 0.302 586 I C -0.962 175.085 176.117 -0.116 0.000 1.140 586 I CA -0.979 60.243 61.300 -0.130 0.000 1.021 586 I CB 2.595 40.500 38.000 -0.159 0.000 1.233 586 I HN 0.267 nan 8.210 nan 0.000 0.427 587 S N 5.451 121.024 115.700 -0.212 0.000 2.520 587 S HA 0.667 5.167 4.470 0.050 0.000 0.324 587 S C -0.415 173.700 174.600 -0.809 0.000 1.069 587 S CA -0.604 57.404 58.200 -0.320 0.000 1.121 587 S CB 0.493 63.492 63.200 -0.335 0.000 0.971 587 S HN 0.374 nan 8.310 nan 0.000 0.463 588 L N 2.595 123.444 121.223 -0.623 0.000 2.342 588 L HA 0.633 5.003 4.340 0.050 0.000 0.271 588 L C -1.136 175.489 176.870 -0.409 0.000 1.008 588 L CA -0.929 53.489 54.840 -0.703 0.000 0.818 588 L CB 1.631 43.446 42.059 -0.407 0.000 1.296 588 L HN 0.659 nan 8.230 nan 0.000 0.427 589 W N 1.484 122.697 121.300 -0.144 0.000 2.294 589 W HA 0.537 5.227 4.660 0.049 0.000 0.314 589 W C 0.203 176.883 176.519 0.268 0.000 1.044 589 W CA -0.687 56.629 57.345 -0.049 0.000 1.284 589 W CB 1.559 30.709 29.460 -0.516 0.000 1.231 589 W HN 0.353 nan 8.180 nan 0.000 0.419 590 S N 2.322 118.309 115.700 0.479 0.000 2.478 590 S HA 0.128 4.628 4.470 0.050 0.000 0.312 590 S C 0.770 175.373 174.600 0.004 0.000 1.094 590 S CA -0.687 57.692 58.200 0.299 0.000 1.081 590 S CB 0.982 64.335 63.200 0.255 0.000 1.007 590 S HN 0.605 nan 8.310 nan 0.000 0.475 591 N N 3.630 121.910 118.700 -0.700 0.000 2.216 591 N HA 0.054 4.824 4.740 0.050 0.000 0.183 591 N C 0.577 175.545 175.510 -0.904 0.000 1.017 591 N CA 1.005 53.295 53.050 -1.267 0.000 0.861 591 N CB 0.048 37.198 38.487 -2.227 0.000 0.986 591 N HN 0.755 nan 8.380 nan 0.000 0.428 592 G N -2.262 106.017 108.800 -0.869 0.000 2.677 592 G HA2 0.477 4.467 3.960 0.050 0.000 0.291 592 G HA3 0.477 4.467 3.960 0.050 0.000 0.291 592 G C 0.218 174.580 174.900 -0.896 0.000 1.435 592 G CA -0.079 44.338 45.100 -1.138 0.000 0.826 592 G HN 0.172 nan 8.290 nan 0.000 0.491 593 G N -0.784 107.446 108.800 -0.951 0.000 2.557 593 G HA2 0.347 4.337 3.960 0.050 0.000 0.213 593 G HA3 0.347 4.337 3.960 0.050 0.000 0.213 593 G C 0.355 174.972 174.900 -0.471 0.000 1.221 593 G CA 0.257 44.604 45.100 -1.255 0.000 0.832 593 G HN 0.602 nan 8.290 nan 0.000 0.556 594 I N 0.825 121.274 120.570 -0.202 0.000 2.439 594 I HA 0.416 4.616 4.170 0.050 0.000 0.285 594 I C -0.923 175.280 176.117 0.142 0.000 1.021 594 I CA -0.246 61.019 61.300 -0.058 0.000 1.091 594 I CB 2.207 40.094 38.000 -0.188 0.000 1.242 594 I HN 0.136 nan 8.210 nan 0.000 0.439 595 M N 5.875 125.566 119.600 0.152 0.000 2.243 595 M HA 0.453 4.963 4.480 0.050 0.000 0.324 595 M C -1.068 175.296 176.300 0.106 0.000 1.031 595 M CA -0.161 55.184 55.300 0.076 0.000 0.949 595 M CB 1.721 34.367 32.600 0.076 0.000 1.615 595 M HN 0.558 nan 8.290 nan 0.000 0.430 596 S N 3.475 119.163 115.700 -0.020 0.000 2.478 596 S HA 0.427 4.927 4.470 0.050 0.000 0.312 596 S C -0.250 174.290 174.600 -0.100 0.000 1.094 596 S CA -0.518 57.702 58.200 0.033 0.000 1.081 596 S CB 1.025 64.311 63.200 0.143 0.000 1.007 596 S HN 0.874 nan 8.310 nan 0.000 0.475 597 E N 2.255 122.438 120.200 -0.028 0.000 2.558 597 E HA 0.143 4.523 4.350 0.050 0.000 0.205 597 E C -0.093 176.484 176.600 -0.038 0.000 1.006 597 E CA -0.208 56.139 56.400 -0.088 0.000 0.961 597 E CB 0.932 30.593 29.700 -0.064 0.000 1.044 597 E HN 0.490 nan 8.360 nan 0.000 0.465 598 S N 1.076 116.798 115.700 0.037 0.000 2.562 598 S HA -0.009 4.491 4.470 0.050 0.000 0.281 598 S C 1.079 175.728 174.600 0.082 0.000 1.333 598 S CA -0.301 57.945 58.200 0.077 0.000 1.052 598 S CB 0.756 64.003 63.200 0.079 0.000 0.884 598 S HN 0.066 nan 8.310 nan 0.000 0.506 599 Q N 2.650 122.481 119.800 0.051 0.000 2.444 599 Q HA 0.236 4.606 4.340 0.050 0.000 0.206 599 Q C 1.225 177.240 176.000 0.025 0.000 0.948 599 Q CA 0.748 56.564 55.803 0.022 0.000 0.946 599 Q CB -0.438 28.319 28.738 0.032 0.000 1.027 599 Q HN 1.045 nan 8.270 nan 0.000 0.513 600 G N 2.030 110.840 108.800 0.017 0.000 2.685 600 G HA2 -0.162 3.828 3.960 0.050 0.000 0.387 600 G HA3 -0.162 3.828 3.960 0.050 0.000 0.387 600 G C -2.819 172.035 174.900 -0.077 0.000 1.324 600 G CA -0.814 44.215 45.100 -0.119 0.000 0.878 600 G HN 0.060 nan 8.290 nan 0.000 0.527 601 P HA 0.483 nan 4.420 nan 0.000 0.271 601 P C -0.453 176.348 177.300 -0.831 0.000 1.216 601 P CA -0.091 62.632 63.100 -0.629 0.000 0.776 601 P CB 1.540 32.746 31.700 -0.823 0.000 0.881 602 V N 4.310 123.637 119.914 -0.978 0.000 2.483 602 V HA 0.318 4.468 4.120 0.050 0.000 0.297 602 V C -0.336 175.329 176.094 -0.715 0.000 1.027 602 V CA -0.439 61.361 62.300 -0.835 0.000 0.855 602 V CB 1.785 32.904 31.823 -1.172 0.000 0.995 602 V HN 0.588 nan 8.190 nan 0.000 0.424 603 W N 5.975 127.146 121.300 -0.215 0.000 2.376 603 W HA 0.590 5.272 4.660 0.038 0.000 0.312 603 W C -0.835 175.509 176.519 -0.291 0.000 1.060 603 W CA -0.719 56.545 57.345 -0.136 0.000 1.221 603 W CB 1.744 31.122 29.460 -0.138 0.000 1.281 603 W HN 0.363 nan 8.180 nan 0.000 0.456 604 L N 6.062 127.271 121.223 -0.023 0.000 2.301 604 L HA 0.375 4.745 4.340 0.050 0.000 0.278 604 L C -0.159 176.668 176.870 -0.071 0.000 1.022 604 L CA -0.714 54.065 54.840 -0.102 0.000 0.854 604 L CB 0.729 42.759 42.059 -0.048 0.000 1.226 604 L HN 0.197 nan 8.230 nan 0.000 0.429 605 I N 3.221 123.701 120.570 -0.151 0.000 2.307 605 I HA 0.265 4.465 4.170 0.050 0.000 0.287 605 I C 1.191 177.290 176.117 -0.031 0.000 1.054 605 I CA -0.203 61.070 61.300 -0.045 0.000 1.218 605 I CB 0.636 38.547 38.000 -0.149 0.000 1.398 605 I HN 0.859 nan 8.210 nan 0.000 0.475 606 G N 4.517 113.356 108.800 0.064 0.000 2.295 606 G HA2 -0.249 3.741 3.960 0.050 0.000 0.287 606 G HA3 -0.249 3.741 3.960 0.050 0.000 0.287 606 G C 0.399 175.318 174.900 0.031 0.000 1.055 606 G CA 0.649 45.793 45.100 0.072 0.000 0.922 606 G HN 0.829 nan 8.290 nan 0.000 0.503 607 T N -2.369 112.218 114.554 0.055 0.000 2.904 607 T HA 0.813 5.193 4.350 0.050 0.000 0.290 607 T C 0.244 175.079 174.700 0.226 0.000 1.018 607 T CA 0.438 62.616 62.100 0.130 0.000 1.075 607 T CB 2.269 71.224 68.868 0.146 0.000 0.986 607 T HN 1.860 nan 8.240 nan 0.000 0.523 608 A N 1.411 124.394 122.820 0.271 0.000 2.449 608 A HA 0.727 5.077 4.320 0.050 0.000 0.302 608 A C -0.284 177.487 177.584 0.313 0.000 1.048 608 A CA -0.863 51.372 52.037 0.329 0.000 0.708 608 A CB 1.991 21.137 19.000 0.245 0.000 1.274 608 A HN 0.967 nan 8.150 nan 0.000 0.410 609 S N 1.112 116.921 115.700 0.181 0.000 2.647 609 S HA 0.608 5.108 4.470 0.050 0.000 0.300 609 S C -1.122 173.535 174.600 0.095 0.000 1.129 609 S CA -0.356 57.850 58.200 0.009 0.000 1.029 609 S CB 0.677 63.573 63.200 -0.507 0.000 1.007 609 S HN 0.650 nan 8.310 nan 0.000 0.484 610 E N 2.508 122.725 120.200 0.030 0.000 2.275 610 E HA 0.365 4.745 4.350 0.050 0.000 0.270 610 E C -1.101 174.997 176.600 -0.838 0.000 0.882 610 E CA -0.838 55.341 56.400 -0.367 0.000 0.758 610 E CB 1.402 30.853 29.700 -0.414 0.000 1.195 610 E HN 0.961 nan 8.360 nan 0.000 0.419 611 H N -0.169 118.719 119.070 -0.305 0.000 2.976 611 H HA -0.134 4.457 4.556 0.057 0.000 0.273 611 H C -0.380 174.629 175.328 -0.531 0.000 1.259 611 H CA 0.349 56.117 56.048 -0.466 0.000 1.122 611 H CB -1.643 27.774 29.762 -0.574 0.000 1.298 611 H HN 0.465 nan 8.280 nan 0.000 0.379 612 H N -0.052 118.946 119.070 -0.120 0.000 2.496 612 H HA 0.256 4.838 4.556 0.043 0.000 0.342 612 H C 1.453 176.706 175.328 -0.126 0.000 1.170 612 H CA -0.173 55.786 56.048 -0.147 0.000 1.274 612 H CB 1.480 31.077 29.762 -0.274 0.000 1.538 612 H HN 0.099 nan 8.280 nan 0.000 0.542 613 I N 0.784 121.365 120.570 0.019 0.000 2.277 613 I HA -0.209 3.991 4.170 0.050 0.000 0.243 613 I C 1.371 177.435 176.117 -0.089 0.000 1.094 613 I CA 1.344 62.667 61.300 0.039 0.000 1.393 613 I CB -0.046 38.060 38.000 0.178 0.000 1.078 613 I HN 0.521 nan 8.210 nan 0.000 0.417 614 N N -1.496 117.057 118.700 -0.245 0.000 2.415 614 N HA 0.052 4.822 4.740 0.050 0.000 0.174 614 N C -0.959 174.555 175.510 0.006 0.000 1.048 614 N CA 0.302 53.249 53.050 -0.171 0.000 0.895 614 N CB 0.556 38.920 38.487 -0.206 0.000 1.036 614 N HN 0.317 nan 8.380 nan 0.000 0.449 615 Y N -3.133 117.160 120.300 -0.011 0.000 2.638 615 Y HA 0.353 4.931 4.550 0.045 0.000 0.334 615 Y C -0.254 175.644 175.900 -0.003 0.000 1.182 615 Y CA -1.157 56.966 58.100 0.039 0.000 1.102 615 Y CB 0.578 39.062 38.460 0.040 0.000 1.343 615 Y HN -0.335 nan 8.280 nan 0.000 0.463 616 Q N 0.859 120.772 119.800 0.187 0.000 2.123 616 Q HA 0.157 4.527 4.340 0.050 0.000 0.196 616 Q C -0.684 175.258 176.000 -0.096 0.000 0.958 616 Q CA 1.316 57.140 55.803 0.035 0.000 0.841 616 Q CB 0.204 28.967 28.738 0.041 0.000 0.915 616 Q HN 0.781 nan 8.270 nan 0.000 0.455 617 Y N -0.412 119.988 120.300 0.167 0.000 2.376 617 Y HA 0.428 4.994 4.550 0.027 0.000 0.340 617 Y C -0.867 175.073 175.900 0.067 0.000 0.965 617 Y CA -1.285 56.889 58.100 0.122 0.000 1.078 617 Y CB 1.569 40.043 38.460 0.024 0.000 1.193 617 Y HN -0.119 nan 8.280 nan 0.000 0.452 618 F N 5.237 125.082 119.950 -0.175 0.000 2.499 618 F HA 0.596 5.151 4.527 0.047 0.000 0.333 618 F C -1.784 173.860 175.800 -0.260 0.000 1.138 618 F CA -2.162 55.542 58.000 -0.494 0.000 0.945 618 F CB 0.766 38.976 39.000 -1.317 0.000 1.181 618 F HN 0.354 nan 8.300 nan 0.000 0.435 619 L N 6.634 127.774 121.223 -0.138 0.000 2.265 619 L HA 0.494 4.864 4.340 0.050 0.000 0.289 619 L C -0.310 176.263 176.870 -0.495 0.000 1.033 619 L CA -0.596 54.039 54.840 -0.341 0.000 0.814 619 L CB 1.393 43.295 42.059 -0.261 0.000 1.203 619 L HN 0.544 nan 8.230 nan 0.000 0.423 620 K N 4.474 124.467 120.400 -0.679 0.000 2.535 620 K HA 0.254 4.604 4.320 0.050 0.000 0.253 620 K C -0.399 176.004 176.600 -0.329 0.000 0.953 620 K CA -0.552 55.374 56.287 -0.601 0.000 0.863 620 K CB 0.793 32.701 32.500 -0.987 0.000 1.111 620 K HN 0.629 nan 8.250 nan 0.000 0.431 621 N N 0.782 119.362 118.700 -0.199 0.000 2.721 621 N HA -0.227 4.543 4.740 0.050 0.000 0.249 621 N C -0.710 174.705 175.510 -0.159 0.000 1.072 621 N CA 1.199 54.171 53.050 -0.130 0.000 0.710 621 N CB -1.397 37.034 38.487 -0.093 0.000 0.993 621 N HN 0.620 nan 8.380 nan 0.000 0.547 622 A N -0.565 122.111 122.820 -0.239 0.000 2.252 622 A HA 0.905 5.255 4.320 0.050 0.000 0.305 622 A C 0.417 177.786 177.584 -0.360 0.000 1.097 622 A CA 0.306 52.162 52.037 -0.301 0.000 0.849 622 A CB 1.344 20.021 19.000 -0.539 0.000 1.142 622 A HN 0.712 nan 8.150 nan 0.000 0.499 623 A N 0.398 123.034 122.820 -0.308 0.000 2.572 623 A HA 0.650 5.000 4.320 0.050 0.000 0.295 623 A C -0.529 176.999 177.584 -0.094 0.000 1.072 623 A CA -0.661 51.119 52.037 -0.428 0.000 0.691 623 A CB 0.613 19.223 19.000 -0.650 0.000 1.291 623 A HN 1.358 nan 8.150 nan 0.000 0.404 624 N N 0.902 119.542 118.700 -0.101 0.000 2.681 624 N HA -0.151 4.619 4.740 0.050 0.000 0.259 624 N C -1.018 174.477 175.510 -0.025 0.000 1.066 624 N CA 1.231 54.254 53.050 -0.045 0.000 0.717 624 N CB -1.315 37.126 38.487 -0.077 0.000 0.885 624 N HN 0.747 nan 8.380 nan 0.000 0.547 625 H N 0.071 119.016 119.070 -0.209 0.000 2.489 625 H HA 0.426 5.012 4.556 0.049 0.000 0.343 625 H C -0.617 174.635 175.328 -0.127 0.000 1.086 625 H CA -0.471 55.446 56.048 -0.218 0.000 1.198 625 H CB 0.828 30.477 29.762 -0.188 0.000 1.490 625 H HN 0.321 nan 8.280 nan 0.000 0.504 626 Y N 3.915 124.109 120.300 -0.176 0.000 2.331 626 Y HA 0.501 5.076 4.550 0.043 0.000 0.338 626 Y C -1.153 174.745 175.900 -0.003 0.000 0.976 626 Y CA -0.877 57.195 58.100 -0.046 0.000 1.137 626 Y CB 0.476 38.941 38.460 0.008 0.000 1.172 626 Y HN 0.565 nan 8.280 nan 0.000 0.478 627 I N 6.564 126.726 120.570 -0.680 0.000 2.411 627 I HA 0.664 4.864 4.170 0.050 0.000 0.284 627 I C -0.137 175.613 176.117 -0.611 0.000 1.012 627 I CA -0.622 60.383 61.300 -0.493 0.000 1.119 627 I CB 1.578 39.410 38.000 -0.280 0.000 1.261 627 I HN 0.869 nan 8.210 nan 0.000 0.448 628 G N 6.065 114.600 108.800 -0.441 0.000 2.717 628 G HA2 0.408 4.398 3.960 0.050 0.000 0.300 628 G HA3 0.408 4.398 3.960 0.050 0.000 0.300 628 G C -1.745 173.203 174.900 0.080 0.000 1.424 628 G CA -0.633 44.379 45.100 -0.147 0.000 1.033 628 G HN 0.472 nan 8.290 nan 0.000 0.577 629 L N 2.022 123.293 121.223 0.080 0.000 2.436 629 L HA 0.804 5.174 4.340 0.050 0.000 0.265 629 L C 0.620 177.485 176.870 -0.009 0.000 1.168 629 L CA -0.348 54.500 54.840 0.013 0.000 0.815 629 L CB 1.202 43.265 42.059 0.007 0.000 1.109 629 L HN 0.811 nan 8.230 nan 0.000 0.462 630 A N 4.444 127.248 122.820 -0.028 0.000 2.342 630 A HA 0.548 4.898 4.320 0.050 0.000 0.323 630 A C -1.091 176.600 177.584 0.177 0.000 1.125 630 A CA -0.542 51.539 52.037 0.074 0.000 0.785 630 A CB 1.368 20.318 19.000 -0.083 0.000 1.221 630 A HN 0.666 nan 8.150 nan 0.000 0.463 631 Q N 1.319 121.281 119.800 0.270 0.000 2.353 631 Q HA 0.647 5.017 4.340 0.050 0.000 0.268 631 Q C -0.857 175.347 176.000 0.340 0.000 1.045 631 Q CA -0.260 55.666 55.803 0.204 0.000 0.811 631 Q CB 2.056 30.835 28.738 0.068 0.000 1.305 631 Q HN 0.935 nan 8.270 nan 0.000 0.447 632 T N 0.110 114.823 114.554 0.266 0.000 2.901 632 T HA 0.734 5.114 4.350 0.050 0.000 0.293 632 T C -0.629 174.188 174.700 0.195 0.000 1.084 632 T CA -0.684 61.554 62.100 0.230 0.000 1.008 632 T CB 2.239 71.209 68.868 0.171 0.000 1.170 632 T HN 0.565 nan 8.240 nan 0.000 0.509 633 E N 0.044 120.371 120.200 0.212 0.000 2.383 633 E HA 0.481 4.861 4.350 0.050 0.000 0.275 633 E C -0.942 175.803 176.600 0.242 0.000 0.918 633 E CA -0.927 55.687 56.400 0.357 0.000 0.764 633 E CB 2.414 32.499 29.700 0.642 0.000 1.252 633 E HN 0.726 nan 8.360 nan 0.000 0.449 634 T N 3.257 117.987 114.554 0.293 0.000 2.913 634 T HA 0.221 4.601 4.350 0.050 0.000 0.297 634 T C -2.334 172.497 174.700 0.218 0.000 1.029 634 T CA -1.188 61.013 62.100 0.167 0.000 1.104 634 T CB 0.506 69.440 68.868 0.109 0.000 0.964 634 T HN 0.236 nan 8.240 nan 0.000 0.532 635 P HA 0.000 nan 4.420 nan 0.000 0.265 635 P C 0.259 177.263 177.300 -0.493 0.000 1.193 635 P CA -0.108 62.691 63.100 -0.501 0.000 0.765 635 P CB 0.418 31.449 31.700 -1.114 0.000 0.823 636 Y N 2.314 122.170 120.300 -0.740 0.000 2.403 636 Y HA -0.131 4.448 4.550 0.048 0.000 0.291 636 Y C 2.135 177.386 175.900 -1.081 0.000 1.143 636 Y CA 0.808 58.370 58.100 -0.898 0.000 1.257 636 Y CB -1.622 36.093 38.460 -1.242 0.000 0.984 636 Y HN 0.332 nan 8.280 nan 0.000 0.550 637 F N -0.572 119.051 119.950 -0.544 0.000 2.615 637 F HA 0.182 4.740 4.527 0.052 0.000 0.297 637 F C 0.819 176.547 175.800 -0.120 0.000 1.124 637 F CA -0.744 57.025 58.000 -0.384 0.000 1.451 637 F CB -1.206 37.805 39.000 0.018 0.000 1.103 637 F HN -0.157 nan 8.300 nan 0.000 0.569 638 Q N 3.122 122.844 119.800 -0.130 0.000 2.373 638 Q HA 0.112 4.482 4.340 0.050 0.000 0.255 638 Q C -1.677 174.330 176.000 0.011 0.000 0.980 638 Q CA -1.662 54.156 55.803 0.025 0.000 0.882 638 Q CB 0.655 29.340 28.738 -0.088 0.000 1.249 638 Q HN 0.024 nan 8.270 nan 0.000 0.438 639 P HA -0.009 nan 4.420 nan 0.000 0.255 639 P C -0.649 176.693 177.300 0.070 0.000 1.427 639 P CA 0.415 63.537 63.100 0.037 0.000 0.863 639 P CB 0.121 31.824 31.700 0.004 0.000 1.444 640 N N 1.987 120.763 118.700 0.127 0.000 2.707 640 N HA 0.269 5.039 4.740 0.050 0.000 0.235 640 N C -2.563 173.038 175.510 0.151 0.000 1.028 640 N CA -2.339 50.780 53.050 0.115 0.000 0.906 640 N CB 0.961 39.509 38.487 0.103 0.000 1.131 640 N HN 0.055 nan 8.380 nan 0.000 0.509 641 P HA 0.388 nan 4.420 nan 0.000 0.284 641 P C -0.713 176.608 177.300 0.035 0.000 1.287 641 P CA -0.643 62.445 63.100 -0.019 0.000 0.824 641 P CB 0.949 32.553 31.700 -0.161 0.000 1.180 642 N N 0.337 119.030 118.700 -0.011 0.000 2.508 642 N HA 0.234 5.004 4.740 0.050 0.000 0.264 642 N C -2.202 173.291 175.510 -0.028 0.000 1.216 642 N CA -1.412 51.626 53.050 -0.021 0.000 0.943 642 N CB -1.209 37.255 38.487 -0.039 0.000 1.113 642 N HN 0.270 nan 8.380 nan 0.000 0.447 643 P HA 0.020 nan 4.420 nan 0.000 0.266 643 P C -1.730 175.549 177.300 -0.036 0.000 1.193 643 P CA -0.634 62.445 63.100 -0.036 0.000 0.770 643 P CB 0.283 31.936 31.700 -0.078 0.000 0.836 644 P HA 0.067 nan 4.420 nan 0.000 0.251 644 P C 0.138 177.449 177.300 0.019 0.000 1.223 644 P CA 0.335 63.434 63.100 -0.001 0.000 0.796 644 P CB 0.200 31.905 31.700 0.008 0.000 1.068 645 A N 2.799 125.583 122.820 -0.059 0.000 2.520 645 A HA 0.204 4.554 4.320 0.050 0.000 0.235 645 A C -1.216 176.168 177.584 -0.334 0.000 1.065 645 A CA -0.715 51.214 52.037 -0.180 0.000 0.764 645 A CB -0.535 18.344 19.000 -0.201 0.000 1.002 645 A HN 0.073 nan 8.150 nan 0.000 0.502 646 P HA 0.084 nan 4.420 nan 0.000 0.249 646 P C -0.188 176.857 177.300 -0.425 0.000 1.241 646 P CA 0.271 62.987 63.100 -0.640 0.000 0.781 646 P CB -0.139 30.882 31.700 -1.131 0.000 1.088 647 F N 1.401 121.197 119.950 -0.257 0.000 2.368 647 F HA 0.292 4.849 4.527 0.051 0.000 0.308 647 F C 1.630 177.219 175.800 -0.350 0.000 1.198 647 F CA -0.862 56.868 58.000 -0.450 0.000 1.130 647 F CB 0.209 39.025 39.000 -0.307 0.000 1.300 647 F HN -0.232 nan 8.300 nan 0.000 0.537 648 I N -2.334 118.142 120.570 -0.156 0.000 2.750 648 I HA 0.490 4.690 4.170 0.050 0.000 0.308 648 I C -0.323 175.833 176.117 0.064 0.000 1.016 648 I CA -0.907 60.392 61.300 -0.002 0.000 1.098 648 I CB 1.510 39.554 38.000 0.072 0.000 1.279 648 I HN 0.319 nan 8.210 nan 0.000 0.454 649 T N 3.818 118.412 114.554 0.066 0.000 2.849 649 T HA -0.043 4.337 4.350 0.050 0.000 0.289 649 T C 0.043 174.824 174.700 0.135 0.000 1.010 649 T CA 0.388 62.539 62.100 0.085 0.000 1.161 649 T CB -0.625 68.282 68.868 0.065 0.000 0.989 649 T HN 0.601 nan 8.240 nan 0.000 0.523 650 N N 1.474 120.280 118.700 0.177 0.000 2.399 650 N HA 0.161 4.931 4.740 0.050 0.000 0.280 650 N C 0.867 176.509 175.510 0.219 0.000 1.008 650 N CA -0.503 52.698 53.050 0.253 0.000 0.894 650 N CB 1.823 40.576 38.487 0.444 0.000 1.273 650 N HN 0.532 nan 8.380 nan 0.000 0.486 651 S N 2.691 118.490 115.700 0.164 0.000 2.496 651 S HA 0.010 4.510 4.470 0.050 0.000 0.224 651 S C 1.009 175.663 174.600 0.089 0.000 0.996 651 S CA 0.429 58.696 58.200 0.112 0.000 0.927 651 S CB -0.179 63.066 63.200 0.075 0.000 0.774 651 S HN 0.658 nan 8.310 nan 0.000 0.524 652 N N 0.477 119.220 118.700 0.071 0.000 2.250 652 N HA 0.175 4.945 4.740 0.050 0.000 0.181 652 N C 0.659 176.049 175.510 -0.200 0.000 1.017 652 N CA 1.215 54.185 53.050 -0.135 0.000 0.866 652 N CB -0.170 38.134 38.487 -0.306 0.000 0.985 652 N HN 0.411 nan 8.380 nan 0.000 0.429 653 F N 0.131 120.223 119.950 0.238 0.000 2.704 653 F HA 0.282 4.838 4.527 0.048 0.000 0.304 653 F C 0.022 176.029 175.800 0.344 0.000 1.094 653 F CA -0.326 57.843 58.000 0.281 0.000 1.275 653 F CB 0.461 39.666 39.000 0.341 0.000 1.073 653 F HN -0.198 nan 8.300 nan 0.000 0.586 654 D N 1.449 122.064 120.400 0.358 0.000 2.217 654 D HA 0.274 4.944 4.640 0.050 0.000 0.248 654 D C -2.392 173.811 176.300 -0.162 0.000 1.008 654 D CA -1.767 52.315 54.000 0.137 0.000 0.914 654 D CB 1.068 41.929 40.800 0.102 0.000 1.182 654 D HN -0.168 nan 8.370 nan 0.000 0.451 655 P HA 0.090 nan 4.420 nan 0.000 0.272 655 P C 0.471 177.659 177.300 -0.187 0.000 1.223 655 P CA -0.201 62.501 63.100 -0.665 0.000 0.784 655 P CB 0.872 32.097 31.700 -0.791 0.000 0.923 656 S N 0.786 116.427 115.700 -0.098 0.000 2.374 656 S HA -0.193 4.307 4.470 0.050 0.000 0.227 656 S C 0.745 175.332 174.600 -0.021 0.000 1.037 656 S CA 1.441 59.620 58.200 -0.034 0.000 1.024 656 S CB -0.464 62.720 63.200 -0.027 0.000 0.861 656 S HN 0.592 nan 8.310 nan 0.000 0.456 657 Q N 1.056 120.835 119.800 -0.035 0.000 2.430 657 Q HA 0.434 4.804 4.340 0.050 0.000 0.245 657 Q C -0.882 175.263 176.000 0.243 0.000 1.021 657 Q CA -0.196 55.648 55.803 0.068 0.000 0.867 657 Q CB 0.880 29.647 28.738 0.048 0.000 1.210 657 Q HN 0.365 nan 8.270 nan 0.000 0.487 658 L N 1.226 122.553 121.223 0.173 0.000 2.452 658 L HA 0.247 4.617 4.340 0.050 0.000 0.267 658 L C 1.111 178.045 176.870 0.107 0.000 1.188 658 L CA -0.357 54.582 54.840 0.165 0.000 0.821 658 L CB 0.282 42.367 42.059 0.043 0.000 1.102 658 L HN 0.683 nan 8.230 nan 0.000 0.470 659 G N 1.339 110.010 108.800 -0.215 0.000 2.391 659 G HA2 0.111 4.101 3.960 0.050 0.000 0.234 659 G HA3 0.111 4.101 3.960 0.050 0.000 0.234 659 G C -0.165 174.494 174.900 -0.401 0.000 1.284 659 G CA -0.455 44.176 45.100 -0.780 0.000 0.873 659 G HN 0.745 nan 8.290 nan 0.000 0.549 660 Q N 1.807 121.355 119.800 -0.421 0.000 2.406 660 Q HA 0.510 4.880 4.340 0.050 0.000 0.242 660 Q C 1.060 176.937 176.000 -0.205 0.000 1.036 660 Q CA -0.335 55.336 55.803 -0.221 0.000 0.904 660 Q CB 1.107 29.752 28.738 -0.155 0.000 1.244 660 Q HN 1.174 nan 8.270 nan 0.000 0.478 661 G N 3.195 111.906 108.800 -0.149 0.000 2.396 661 G HA2 -0.311 3.679 3.960 0.050 0.000 0.242 661 G HA3 -0.311 3.679 3.960 0.050 0.000 0.242 661 G C -0.295 174.531 174.900 -0.125 0.000 1.069 661 G CA 0.440 45.474 45.100 -0.110 0.000 0.633 661 G HN 0.645 nan 8.290 nan 0.000 0.517 662 D N -0.354 119.921 120.400 -0.208 0.000 2.661 662 D HA 0.675 5.345 4.640 0.050 0.000 0.228 662 D C 0.159 176.270 176.300 -0.314 0.000 1.183 662 D CA 0.233 54.111 54.000 -0.203 0.000 0.844 662 D CB 1.507 42.207 40.800 -0.167 0.000 1.555 662 D HN 0.733 nan 8.370 nan 0.000 0.453 663 A N 0.928 123.621 122.820 -0.213 0.000 2.498 663 A HA 0.229 4.579 4.320 0.050 0.000 0.239 663 A C -0.525 176.935 177.584 -0.207 0.000 1.068 663 A CA -0.044 51.876 52.037 -0.194 0.000 0.766 663 A CB -0.048 18.908 19.000 -0.073 0.000 1.003 663 A HN 0.549 nan 8.150 nan 0.000 0.497 664 W N 1.498 122.780 121.300 -0.030 0.000 2.257 664 W HA 0.300 4.988 4.660 0.046 0.000 0.337 664 W C 1.324 177.806 176.519 -0.063 0.000 1.321 664 W CA 0.251 57.564 57.345 -0.054 0.000 1.267 664 W CB 0.582 30.004 29.460 -0.063 0.000 1.187 664 W HN 0.843 nan 8.180 nan 0.000 0.565 665 A N 3.979 126.853 122.820 0.089 0.000 1.898 665 A HA -0.035 4.315 4.320 0.050 0.000 0.216 665 A C 0.741 178.203 177.584 -0.205 0.000 1.181 665 A CA 1.211 53.131 52.037 -0.194 0.000 0.620 665 A CB -0.105 18.513 19.000 -0.638 0.000 0.819 665 A HN 0.682 nan 8.150 nan 0.000 0.442 666 M N -1.072 118.439 119.600 -0.148 0.000 2.284 666 M HA 0.423 4.933 4.480 0.050 0.000 0.281 666 M C -1.441 174.807 176.300 -0.085 0.000 1.083 666 M CA -0.149 55.107 55.300 -0.074 0.000 0.965 666 M CB 2.181 34.698 32.600 -0.138 0.000 1.717 666 M HN 0.107 nan 8.290 nan 0.000 0.479 667 T N 3.817 118.304 114.554 -0.112 0.000 2.881 667 T HA 0.782 5.162 4.350 0.050 0.000 0.290 667 T C -1.830 172.814 174.700 -0.094 0.000 1.000 667 T CA -0.440 61.464 62.100 -0.326 0.000 0.978 667 T CB 1.279 69.708 68.868 -0.732 0.000 0.997 667 T HN 0.491 nan 8.240 nan 0.000 0.443 668 V N 5.575 125.409 119.914 -0.133 0.000 2.531 668 V HA 0.570 4.720 4.120 0.050 0.000 0.301 668 V C -0.522 175.544 176.094 -0.048 0.000 1.034 668 V CA -0.783 61.488 62.300 -0.047 0.000 0.865 668 V CB 1.817 33.623 31.823 -0.028 0.000 0.995 668 V HN 0.891 nan 8.190 nan 0.000 0.424 669 Q N 2.773 122.568 119.800 -0.008 0.000 2.321 669 Q HA 0.433 4.803 4.340 0.050 0.000 0.270 669 Q C 0.019 175.998 176.000 -0.034 0.000 1.032 669 Q CA -0.780 55.019 55.803 -0.006 0.000 0.784 669 Q CB 1.603 30.383 28.738 0.069 0.000 1.264 669 Q HN 0.781 nan 8.270 nan 0.000 0.448 670 N N 0.845 119.538 118.700 -0.011 0.000 2.714 670 N HA -0.179 4.591 4.740 0.050 0.000 0.252 670 N C -1.663 173.850 175.510 0.006 0.000 1.014 670 N CA 0.930 53.983 53.050 0.005 0.000 0.735 670 N CB -0.452 38.033 38.487 -0.003 0.000 0.924 670 N HN 0.474 nan 8.380 nan 0.000 0.540 671 S N -0.321 115.378 115.700 -0.001 0.000 2.600 671 S HA 0.730 5.230 4.470 0.050 0.000 0.300 671 S C -0.598 174.021 174.600 0.032 0.000 1.087 671 S CA -0.588 57.574 58.200 -0.063 0.000 0.965 671 S CB 1.546 64.646 63.200 -0.168 0.000 1.089 671 S HN 0.603 nan 8.310 nan 0.000 0.496 672 H N -2.861 116.184 119.070 -0.042 0.000 3.016 672 H HA 0.675 5.262 4.556 0.052 0.000 0.362 672 H C 0.290 175.614 175.328 -0.006 0.000 1.233 672 H CA -0.502 55.542 56.048 -0.007 0.000 1.124 672 H CB 0.594 30.360 29.762 0.005 0.000 1.850 672 H HN 0.876 nan 8.280 nan 0.000 0.549 673 G N 1.173 110.036 108.800 0.104 0.000 2.198 673 G HA2 -0.214 3.776 3.960 0.050 0.000 0.257 673 G HA3 -0.214 3.776 3.960 0.050 0.000 0.257 673 G C -0.533 174.368 174.900 0.003 0.000 1.042 673 G CA 0.271 45.407 45.100 0.060 0.000 0.791 673 G HN 0.569 nan 8.290 nan 0.000 0.502 674 I N 0.279 120.842 120.570 -0.012 0.000 2.321 674 I HA 0.532 4.732 4.170 0.050 0.000 0.291 674 I C 0.089 176.194 176.117 -0.021 0.000 0.998 674 I CA -1.529 59.741 61.300 -0.050 0.000 1.227 674 I CB 1.227 39.143 38.000 -0.139 0.000 1.368 674 I HN 0.113 nan 8.210 nan 0.000 0.466 675 L N 8.698 129.926 121.223 0.009 0.000 2.316 675 L HA 0.505 4.875 4.340 0.050 0.000 0.280 675 L C -0.757 176.082 176.870 -0.052 0.000 1.006 675 L CA -0.373 54.511 54.840 0.074 0.000 0.836 675 L CB 1.530 43.724 42.059 0.225 0.000 1.221 675 L HN 0.273 nan 8.230 nan 0.000 0.418 676 V N 6.382 126.215 119.914 -0.135 0.000 2.311 676 V HA 0.329 4.479 4.120 0.050 0.000 0.275 676 V C -0.612 175.521 176.094 0.066 0.000 1.022 676 V CA -0.221 61.959 62.300 -0.201 0.000 0.830 676 V CB 0.794 32.334 31.823 -0.471 0.000 1.012 676 V HN 0.638 nan 8.190 nan 0.000 0.452 677 F N 4.465 124.361 119.950 -0.091 0.000 2.359 677 F HA 0.725 5.277 4.527 0.042 0.000 0.370 677 F C 0.629 176.477 175.800 0.080 0.000 1.077 677 F CA 0.006 58.071 58.000 0.108 0.000 1.136 677 F CB 0.784 39.907 39.000 0.206 0.000 1.387 677 F HN 0.737 nan 8.300 nan 0.000 0.468 678 G N 3.748 112.467 108.800 -0.135 0.000 3.409 678 G HA2 0.433 4.423 3.960 0.050 0.000 0.686 678 G HA3 0.433 4.423 3.960 0.050 0.000 0.686 678 G C -1.377 173.460 174.900 -0.106 0.000 1.017 678 G CA -0.456 44.600 45.100 -0.075 0.000 0.854 678 G HN 1.432 nan 8.290 nan 0.000 0.508 679 A N 1.189 123.899 122.820 -0.184 0.000 2.488 679 A HA 1.040 5.390 4.320 0.050 0.000 0.298 679 A C 0.154 177.500 177.584 -0.397 0.000 1.044 679 A CA 0.195 51.951 52.037 -0.470 0.000 0.693 679 A CB 1.899 20.338 19.000 -0.936 0.000 1.272 679 A HN 2.430 nan 8.150 nan 0.000 0.402 680 G N 1.172 109.755 108.800 -0.361 0.000 2.814 680 G HA2 0.576 4.566 3.960 0.050 0.000 0.300 680 G HA3 0.576 4.566 3.960 0.050 0.000 0.300 680 G C -1.343 173.282 174.900 -0.457 0.000 1.406 680 G CA -0.214 44.769 45.100 -0.195 0.000 1.041 680 G HN 0.318 nan 8.290 nan 0.000 0.532 681 F N 2.818 122.624 119.950 -0.239 0.000 2.375 681 F HA 0.518 5.067 4.527 0.037 0.000 0.361 681 F C -0.641 175.171 175.800 0.019 0.000 1.117 681 F CA -1.899 56.014 58.000 -0.147 0.000 1.037 681 F CB 1.045 40.069 39.000 0.039 0.000 1.192 681 F HN 0.297 nan 8.300 nan 0.000 0.452 682 Y N 0.123 120.621 120.300 0.331 0.000 2.509 682 Y HA 0.623 5.203 4.550 0.050 0.000 0.341 682 Y C 0.212 176.114 175.900 0.003 0.000 1.038 682 Y CA -2.089 56.061 58.100 0.085 0.000 1.089 682 Y CB 2.030 40.574 38.460 0.139 0.000 1.241 682 Y HN 0.375 nan 8.280 nan 0.000 0.468 683 S N 1.408 117.059 115.700 -0.081 0.000 2.733 683 S HA 0.548 5.048 4.470 0.050 0.000 0.294 683 S C -0.902 173.537 174.600 -0.269 0.000 1.149 683 S CA -0.411 57.761 58.200 -0.047 0.000 1.034 683 S CB 0.041 63.230 63.200 -0.018 0.000 1.015 683 S HN 0.514 nan 8.310 nan 0.000 0.486 684 F N 3.269 123.272 119.950 0.087 0.000 2.724 684 F HA 0.545 5.098 4.527 0.043 0.000 0.306 684 F C -0.127 175.313 175.800 -0.600 0.000 1.100 684 F CA -0.203 57.661 58.000 -0.226 0.000 1.255 684 F CB 0.529 39.379 39.000 -0.250 0.000 1.072 684 F HN 0.445 nan 8.300 nan 0.000 0.589 685 F N -1.459 118.515 119.950 0.039 0.000 2.613 685 F HA 0.518 5.073 4.527 0.046 0.000 0.314 685 F C 0.029 175.801 175.800 -0.047 0.000 1.075 685 F CA -1.263 56.711 58.000 -0.044 0.000 0.945 685 F CB 1.828 40.732 39.000 -0.160 0.000 1.310 685 F HN -0.477 nan 8.300 nan 0.000 0.467 686 S N 1.415 117.226 115.700 0.186 0.000 2.774 686 S HA 0.578 5.078 4.470 0.050 0.000 0.297 686 S C -0.339 174.331 174.600 0.117 0.000 1.143 686 S CA 0.002 58.263 58.200 0.100 0.000 1.090 686 S CB 0.575 63.809 63.200 0.056 0.000 1.019 686 S HN 1.558 nan 8.310 nan 0.000 0.482 687 A N 3.761 126.621 122.820 0.067 0.000 2.466 687 A HA -0.182 4.168 4.320 0.050 0.000 0.295 687 A C 0.552 178.239 177.584 0.172 0.000 1.465 687 A CA 1.531 53.619 52.037 0.085 0.000 0.744 687 A CB -2.546 16.531 19.000 0.130 0.000 1.098 687 A HN 1.812 nan 8.150 nan 0.000 0.402 688 Y N -3.389 117.006 120.300 0.158 0.000 4.916 688 Y HA -0.247 4.333 4.550 0.049 0.000 0.247 688 Y C 0.824 176.934 175.900 0.351 0.000 0.962 688 Y CA 1.438 59.611 58.100 0.122 0.000 1.933 688 Y CB -1.671 36.811 38.460 0.036 0.000 1.451 688 Y HN 0.903 nan 8.280 nan 0.000 0.539 689 N N 1.028 119.965 118.700 0.394 0.000 2.472 689 N HA 0.196 4.966 4.740 0.050 0.000 0.277 689 N C 1.022 176.655 175.510 0.205 0.000 1.081 689 N CA 0.828 54.041 53.050 0.271 0.000 0.973 689 N CB 1.323 39.906 38.487 0.159 0.000 1.105 689 N HN 0.310 nan 8.380 nan 0.000 0.470 690 T N -0.530 114.076 114.554 0.087 0.000 3.107 690 T HA 0.128 4.508 4.350 0.050 0.000 0.249 690 T C 1.731 176.389 174.700 -0.070 0.000 1.096 690 T CA 0.275 62.304 62.100 -0.117 0.000 1.012 690 T CB -0.094 68.688 68.868 -0.144 0.000 0.977 690 T HN 0.440 nan 8.240 nan 0.000 0.527 691 G N 1.740 110.531 108.800 -0.015 0.000 2.475 691 G HA2 -0.298 3.692 3.960 0.050 0.000 0.220 691 G HA3 -0.298 3.692 3.960 0.050 0.000 0.220 691 G C 1.814 176.686 174.900 -0.046 0.000 1.125 691 G CA 1.133 46.222 45.100 -0.019 0.000 0.755 691 G HN 0.831 nan 8.290 nan 0.000 0.565 692 c N -0.554 118.013 118.600 -0.056 0.000 2.437 692 c HA 0.145 4.746 4.570 0.050 0.000 0.283 692 c C 2.476 176.492 174.090 -0.123 0.000 1.424 692 c CA 0.471 56.752 56.329 -0.080 0.000 1.782 692 c CB -1.063 41.406 42.510 -0.068 0.000 1.833 692 c HN 0.501 nan 8.230 nan 0.000 0.532 693 Q N 1.611 121.333 119.800 -0.130 0.000 2.096 693 Q HA -0.133 4.237 4.340 0.050 0.000 0.204 693 Q C 2.582 178.460 176.000 -0.203 0.000 0.982 693 Q CA 2.145 57.849 55.803 -0.166 0.000 0.850 693 Q CB -0.168 28.522 28.738 -0.080 0.000 0.901 693 Q HN 0.790 nan 8.270 nan 0.000 0.422 694 S N 0.984 116.602 115.700 -0.136 0.000 2.345 694 S HA -0.067 4.433 4.470 0.050 0.000 0.220 694 S C -0.914 173.599 174.600 -0.145 0.000 1.031 694 S CA 1.229 59.351 58.200 -0.130 0.000 0.996 694 S CB -1.022 62.132 63.200 -0.076 0.000 0.882 694 S HN 0.409 nan 8.310 nan 0.000 0.445 695 P HA 0.024 nan 4.420 nan 0.000 0.245 695 P C -0.686 176.522 177.300 -0.155 0.000 1.212 695 P CA 0.526 63.553 63.100 -0.123 0.000 0.774 695 P CB -0.293 31.352 31.700 -0.093 0.000 0.999 696 Q N 0.582 120.265 119.800 -0.195 0.000 2.463 696 Q HA -0.169 4.201 4.340 0.050 0.000 0.299 696 Q C -0.263 175.621 176.000 -0.193 0.000 1.353 696 Q CA 0.697 56.359 55.803 -0.235 0.000 0.828 696 Q CB -2.495 26.085 28.738 -0.263 0.000 1.157 696 Q HN 0.520 nan 8.270 nan 0.000 0.436 697 N N -2.160 116.447 118.700 -0.155 0.000 2.536 697 N HA 0.162 4.932 4.740 0.050 0.000 0.286 697 N C 0.348 175.801 175.510 -0.096 0.000 1.577 697 N CA -0.224 52.752 53.050 -0.123 0.000 0.883 697 N CB -0.347 38.079 38.487 -0.103 0.000 1.390 697 N HN 0.204 nan 8.380 nan 0.000 0.491 698 c N 0.440 118.974 118.600 -0.110 0.000 2.413 698 c HA -0.087 4.513 4.570 0.050 0.000 0.277 698 c C 1.143 175.199 174.090 -0.057 0.000 1.265 698 c CA 1.060 57.343 56.329 -0.077 0.000 1.752 698 c CB -0.919 41.536 42.510 -0.092 0.000 1.998 698 c HN 0.740 nan 8.230 nan 0.000 0.489 699 Q N -0.897 118.863 119.800 -0.066 0.000 2.553 699 Q HA 0.370 4.740 4.340 0.050 0.000 0.293 699 Q C -0.146 175.827 176.000 -0.045 0.000 1.038 699 Q CA -0.598 55.167 55.803 -0.062 0.000 0.777 699 Q CB 1.047 29.738 28.738 -0.079 0.000 1.487 699 Q HN 0.054 nan 8.270 nan 0.000 0.426 700 N N -0.392 118.291 118.700 -0.029 0.000 2.368 700 N HA 0.015 4.785 4.740 0.050 0.000 0.178 700 N C -0.487 175.112 175.510 0.148 0.000 1.021 700 N CA 1.124 54.211 53.050 0.062 0.000 0.875 700 N CB 0.727 39.257 38.487 0.072 0.000 1.020 700 N HN 0.526 nan 8.380 nan 0.000 0.433 701 Q N -0.854 118.967 119.800 0.035 0.000 2.495 701 Q HA 0.417 4.787 4.340 0.050 0.000 0.287 701 Q C -0.397 175.618 176.000 0.026 0.000 1.078 701 Q CA -0.477 55.388 55.803 0.104 0.000 0.793 701 Q CB 2.723 31.528 28.738 0.111 0.000 1.459 701 Q HN 0.147 nan 8.270 nan 0.000 0.422 702 I N -0.563 120.147 120.570 0.234 0.000 5.242 702 I HA 0.133 4.333 4.170 0.050 0.000 0.360 702 I C -1.219 175.124 176.117 0.376 0.000 1.201 702 I CA 0.271 61.718 61.300 0.245 0.000 1.527 702 I CB 1.730 39.819 38.000 0.148 0.000 1.769 702 I HN 0.319 nan 8.210 nan 0.000 0.603 703 V N 2.183 122.242 119.914 0.242 0.000 2.483 703 V HA 0.494 4.644 4.120 0.050 0.000 0.297 703 V C -0.966 174.866 176.094 -0.436 0.000 1.027 703 V CA -0.598 61.674 62.300 -0.047 0.000 0.855 703 V CB 1.555 33.338 31.823 -0.067 0.000 0.995 703 V HN 0.200 nan 8.190 nan 0.000 0.424 704 N N 2.892 121.177 118.700 -0.692 0.000 2.284 704 N HA 0.758 5.528 4.740 0.050 0.000 0.300 704 N C -0.926 174.186 175.510 -0.663 0.000 1.047 704 N CA -0.382 52.101 53.050 -0.944 0.000 0.821 704 N CB 2.207 39.716 38.487 -1.630 0.000 1.337 704 N HN 0.643 nan 8.380 nan 0.000 0.482 705 V N 0.093 119.635 119.914 -0.621 0.000 2.914 705 V HA 0.700 4.850 4.120 0.050 0.000 0.314 705 V C -0.096 175.844 176.094 -0.256 0.000 1.084 705 V CA -0.942 61.158 62.300 -0.332 0.000 0.963 705 V CB 1.653 33.371 31.823 -0.176 0.000 1.025 705 V HN 0.744 nan 8.190 nan 0.000 0.432 706 D N 2.470 122.786 120.400 -0.139 0.000 2.425 706 D HA 0.275 4.945 4.640 0.050 0.000 0.274 706 D C 1.131 177.426 176.300 -0.008 0.000 1.242 706 D CA 0.230 54.177 54.000 -0.088 0.000 1.060 706 D CB 0.590 41.353 40.800 -0.061 0.000 1.112 706 D HN 0.440 nan 8.370 nan 0.000 0.561 707 S N -1.393 114.314 115.700 0.011 0.000 2.395 707 S HA -0.093 4.407 4.470 0.050 0.000 0.225 707 S C 1.847 176.496 174.600 0.082 0.000 1.027 707 S CA 1.161 59.394 58.200 0.054 0.000 0.965 707 S CB -0.322 62.898 63.200 0.032 0.000 0.812 707 S HN 0.640 nan 8.310 nan 0.000 0.482 708 S N 0.540 116.277 115.700 0.062 0.000 2.492 708 S HA 0.207 4.707 4.470 0.050 0.000 0.218 708 S C 0.772 175.427 174.600 0.092 0.000 1.016 708 S CA -0.328 57.912 58.200 0.067 0.000 0.916 708 S CB -0.147 63.077 63.200 0.041 0.000 0.791 708 S HN 0.163 nan 8.310 nan 0.000 0.513 709 S N 3.151 118.910 115.700 0.098 0.000 2.558 709 S HA 0.107 4.607 4.470 0.050 0.000 0.293 709 S C -0.246 174.454 174.600 0.166 0.000 1.292 709 S CA 0.088 58.356 58.200 0.114 0.000 1.063 709 S CB 0.323 63.575 63.200 0.087 0.000 0.831 709 S HN 0.597 nan 8.310 nan 0.000 0.499 710 D N 2.528 123.023 120.400 0.159 0.000 2.479 710 D HA 0.457 5.127 4.640 0.050 0.000 0.218 710 D C -0.587 175.807 176.300 0.157 0.000 1.131 710 D CA -0.267 53.832 54.000 0.165 0.000 0.916 710 D CB -0.051 40.840 40.800 0.153 0.000 1.022 710 D HN 0.444 nan 8.370 nan 0.000 0.515 711 I N 2.011 122.714 120.570 0.223 0.000 2.686 711 I HA 0.743 4.943 4.170 0.050 0.000 0.295 711 I C -1.650 174.638 176.117 0.285 0.000 1.114 711 I CA -0.789 60.621 61.300 0.183 0.000 1.038 711 I CB 1.832 39.920 38.000 0.148 0.000 1.238 711 I HN 0.436 nan 8.210 nan 0.000 0.420 712 A N 6.408 129.294 122.820 0.111 0.000 2.386 712 A HA 0.805 5.155 4.320 0.050 0.000 0.311 712 A C -1.765 175.741 177.584 -0.130 0.000 1.068 712 A CA -0.362 51.745 52.037 0.115 0.000 0.743 712 A CB 0.931 20.020 19.000 0.148 0.000 1.258 712 A HN 0.592 nan 8.150 nan 0.000 0.429 713 F N 1.054 120.925 119.950 -0.132 0.000 2.482 713 F HA 0.613 5.169 4.527 0.048 0.000 0.331 713 F C -0.825 174.647 175.800 -0.547 0.000 1.115 713 F CA -0.154 57.732 58.000 -0.191 0.000 0.955 713 F CB 1.885 40.821 39.000 -0.106 0.000 1.136 713 F HN 0.513 nan 8.300 nan 0.000 0.452 714 Y N 0.520 120.925 120.300 0.175 0.000 2.425 714 Y HA 0.365 4.943 4.550 0.047 0.000 0.344 714 Y C 0.571 176.419 175.900 -0.087 0.000 0.969 714 Y CA -1.444 56.672 58.100 0.027 0.000 1.052 714 Y CB 2.101 40.549 38.460 -0.021 0.000 1.215 714 Y HN 0.617 nan 8.280 nan 0.000 0.451 715 S N 2.162 117.897 115.700 0.059 0.000 3.550 715 S HA -0.203 4.297 4.470 0.050 0.000 0.372 715 S C -0.667 173.938 174.600 0.008 0.000 0.966 715 S CA -0.059 58.153 58.200 0.019 0.000 1.229 715 S CB -0.975 62.192 63.200 -0.056 0.000 0.917 715 S HN 0.539 nan 8.310 nan 0.000 0.496 716 L N 3.294 124.524 121.223 0.012 0.000 2.295 716 L HA 0.556 4.926 4.340 0.050 0.000 0.288 716 L C 0.241 177.093 176.870 -0.030 0.000 1.079 716 L CA 0.470 55.280 54.840 -0.051 0.000 0.830 716 L CB 0.855 42.887 42.059 -0.045 0.000 1.200 716 L HN 0.258 nan 8.230 nan 0.000 0.438 717 T N 3.849 118.393 114.554 -0.017 0.000 2.795 717 T HA 0.643 5.023 4.350 0.050 0.000 0.282 717 T C 0.048 174.831 174.700 0.139 0.000 0.980 717 T CA -0.255 61.910 62.100 0.108 0.000 1.012 717 T CB 1.047 70.065 68.868 0.251 0.000 0.936 717 T HN 0.781 nan 8.240 nan 0.000 0.457 718 T N -0.366 114.271 114.554 0.138 0.000 2.924 718 T HA 0.775 5.155 4.350 0.050 0.000 0.291 718 T C -0.766 173.985 174.700 0.084 0.000 1.045 718 T CA -0.769 61.445 62.100 0.190 0.000 1.015 718 T CB 1.410 70.355 68.868 0.129 0.000 1.103 718 T HN 0.272 nan 8.240 nan 0.000 0.496 719 V N 2.340 122.288 119.914 0.057 0.000 2.487 719 V HA 0.402 4.552 4.120 0.050 0.000 0.298 719 V C -0.671 175.241 176.094 -0.304 0.000 1.028 719 V CA -0.527 61.610 62.300 -0.272 0.000 0.860 719 V CB 1.157 32.642 31.823 -0.563 0.000 0.991 719 V HN 1.132 nan 8.190 nan 0.000 0.427 720 D N 2.477 122.668 120.400 -0.348 0.000 2.723 720 D HA -0.134 4.536 4.640 0.050 0.000 0.236 720 D C 0.228 176.410 176.300 -0.197 0.000 1.138 720 D CA 1.279 55.096 54.000 -0.305 0.000 0.676 720 D CB -1.055 39.529 40.800 -0.360 0.000 1.069 720 D HN 0.638 nan 8.370 nan 0.000 0.430 721 T N -0.967 113.494 114.554 -0.156 0.000 2.881 721 T HA 0.362 4.742 4.350 0.050 0.000 0.290 721 T C 1.426 176.046 174.700 -0.133 0.000 1.000 721 T CA -0.508 61.532 62.100 -0.099 0.000 0.978 721 T CB 2.119 70.971 68.868 -0.026 0.000 0.997 721 T HN -0.126 nan 8.240 nan 0.000 0.443 722 T N 1.567 116.028 114.554 -0.155 0.000 2.643 722 T HA -0.061 4.319 4.350 0.050 0.000 0.264 722 T C 0.273 174.682 174.700 -0.486 0.000 1.045 722 T CA 1.307 63.211 62.100 -0.327 0.000 1.155 722 T CB -0.120 68.565 68.868 -0.304 0.000 0.863 722 T HN 0.583 nan 8.240 nan 0.000 0.420 723 W N 2.232 123.506 121.300 -0.042 0.000 2.308 723 W HA 0.452 5.141 4.660 0.048 0.000 0.311 723 W C 1.273 177.774 176.519 -0.029 0.000 1.088 723 W CA -0.817 56.507 57.345 -0.035 0.000 1.309 723 W CB 0.470 29.912 29.460 -0.030 0.000 1.229 723 W HN 0.207 nan 8.180 nan 0.000 0.427 724 Q N 1.803 121.680 119.800 0.129 0.000 2.245 724 Q HA -0.016 4.354 4.340 0.050 0.000 0.201 724 Q C -0.103 175.965 176.000 0.113 0.000 0.955 724 Q CA 0.814 56.665 55.803 0.081 0.000 0.870 724 Q CB 0.400 29.136 28.738 -0.004 0.000 0.945 724 Q HN 0.417 nan 8.270 nan 0.000 0.461 725 F N 0.034 119.933 119.950 -0.084 0.000 2.588 725 F HA 0.332 4.887 4.527 0.047 0.000 0.318 725 F C -1.388 174.298 175.800 -0.190 0.000 1.155 725 F CA -0.692 57.148 58.000 -0.267 0.000 0.967 725 F CB 1.898 40.598 39.000 -0.500 0.000 1.236 725 F HN -0.349 nan 8.300 nan 0.000 0.455 726 S N 3.860 119.009 115.700 -0.919 0.000 2.542 726 S HA 0.798 5.298 4.470 0.050 0.000 0.293 726 S C -1.343 172.726 174.600 -0.885 0.000 1.089 726 S CA -0.821 56.988 58.200 -0.650 0.000 0.961 726 S CB 2.120 65.123 63.200 -0.330 0.000 1.062 726 S HN 0.439 nan 8.310 nan 0.000 0.483 727 V N 2.596 122.205 119.914 -0.509 0.000 2.417 727 V HA 0.412 4.562 4.120 0.050 0.000 0.291 727 V C 0.076 176.020 176.094 -0.250 0.000 1.024 727 V CA -0.829 61.260 62.300 -0.351 0.000 0.861 727 V CB 0.703 32.450 31.823 -0.127 0.000 0.985 727 V HN 1.085 nan 8.190 nan 0.000 0.436 728 N N 3.700 122.254 118.700 -0.244 0.000 2.725 728 N HA -0.239 4.531 4.740 0.050 0.000 0.251 728 N C 0.760 176.178 175.510 -0.154 0.000 1.031 728 N CA 0.509 53.452 53.050 -0.178 0.000 0.720 728 N CB -0.629 37.793 38.487 -0.109 0.000 0.930 728 N HN 1.474 nan 8.380 nan 0.000 0.543 729 A N -1.194 121.516 122.820 -0.182 0.000 2.826 729 A HA -0.322 4.028 4.320 0.050 0.000 0.274 729 A C 0.179 177.718 177.584 -0.075 0.000 1.443 729 A CA 1.652 53.678 52.037 -0.019 0.000 0.833 729 A CB -1.265 17.806 19.000 0.118 0.000 1.023 729 A HN 0.638 nan 8.150 nan 0.000 0.600 730 Q N -0.639 119.050 119.800 -0.184 0.000 2.330 730 Q HA 0.514 4.884 4.340 0.050 0.000 0.269 730 Q C 0.535 176.283 176.000 -0.419 0.000 1.022 730 Q CA -0.091 55.546 55.803 -0.277 0.000 0.796 730 Q CB 1.899 30.504 28.738 -0.222 0.000 1.271 730 Q HN 0.865 nan 8.270 nan 0.000 0.450 731 G N 0.955 109.298 108.800 -0.762 0.000 2.380 731 G HA2 0.249 4.239 3.960 0.050 0.000 0.242 731 G HA3 0.249 4.239 3.960 0.050 0.000 0.242 731 G C 0.312 174.763 174.900 -0.748 0.000 1.298 731 G CA -0.198 44.292 45.100 -1.017 0.000 0.878 731 G HN 0.485 nan 8.290 nan 0.000 0.542 732 V N 3.002 122.826 119.914 -0.149 0.000 2.996 732 V HA 0.235 4.385 4.120 0.050 0.000 0.235 732 V C 0.884 177.189 176.094 0.352 0.000 1.205 732 V CA 0.505 62.854 62.300 0.081 0.000 1.225 732 V CB -0.037 31.877 31.823 0.151 0.000 0.995 732 V HN 0.586 nan 8.190 nan 0.000 0.484 733 I N 2.057 122.842 120.570 0.358 0.000 2.328 733 I HA 0.301 4.501 4.170 0.050 0.000 0.287 733 I C -0.207 176.041 176.117 0.218 0.000 1.012 733 I CA 0.008 61.398 61.300 0.150 0.000 1.195 733 I CB 0.883 38.696 38.000 -0.312 0.000 1.350 733 I HN 0.193 nan 8.210 nan 0.000 0.464 734 N N 5.773 124.501 118.700 0.048 0.000 2.514 734 N HA 0.099 4.869 4.740 0.050 0.000 0.277 734 N C 1.300 176.669 175.510 -0.236 0.000 1.126 734 N CA -0.318 52.487 53.050 -0.407 0.000 0.978 734 N CB 1.317 39.436 38.487 -0.613 0.000 1.106 734 N HN 0.636 nan 8.380 nan 0.000 0.461 735 R N 1.309 121.638 120.500 -0.285 0.000 2.127 735 R HA -0.145 4.225 4.340 0.050 0.000 0.238 735 R C 1.665 177.881 176.300 -0.140 0.000 1.134 735 R CA 2.052 58.043 56.100 -0.181 0.000 0.975 735 R CB -0.509 29.671 30.300 -0.199 0.000 0.865 735 R HN 0.541 nan 8.270 nan 0.000 0.447 736 S N 0.213 115.808 115.700 -0.176 0.000 2.469 736 S HA -0.100 4.401 4.470 0.050 0.000 0.238 736 S C 1.225 175.791 174.600 -0.057 0.000 0.998 736 S CA 1.301 59.426 58.200 -0.125 0.000 0.957 736 S CB -0.422 62.690 63.200 -0.147 0.000 0.764 736 S HN 0.589 nan 8.310 nan 0.000 0.514 737 N N 1.614 120.306 118.700 -0.013 0.000 2.424 737 N HA 0.156 4.927 4.740 0.050 0.000 0.178 737 N C 0.095 175.666 175.510 0.101 0.000 1.060 737 N CA 0.397 53.488 53.050 0.068 0.000 0.901 737 N CB 0.133 38.722 38.487 0.170 0.000 0.979 737 N HN 0.378 nan 8.380 nan 0.000 0.451 738 N N 0.334 119.074 118.700 0.066 0.000 2.517 738 N HA 0.157 4.927 4.740 0.050 0.000 0.285 738 N C -2.862 172.669 175.510 0.034 0.000 1.528 738 N CA -0.678 52.421 53.050 0.082 0.000 0.892 738 N CB 0.986 39.530 38.487 0.096 0.000 1.356 738 N HN 0.196 nan 8.380 nan 0.000 0.495 739 P HA 0.175 nan 4.420 nan 0.000 0.275 739 P C -0.056 177.257 177.300 0.023 0.000 1.227 739 P CA 0.038 63.129 63.100 -0.015 0.000 0.781 739 P CB 1.096 32.775 31.700 -0.036 0.000 0.906 740 N N 0.909 119.623 118.700 0.024 0.000 2.545 740 N HA 0.304 5.074 4.740 0.050 0.000 0.283 740 N C 0.308 175.877 175.510 0.099 0.000 1.596 740 N CA 0.520 53.610 53.050 0.067 0.000 0.862 740 N CB 0.373 38.914 38.487 0.091 0.000 1.422 740 N HN 0.727 nan 8.380 nan 0.000 0.489 741 G N 0.598 109.442 108.800 0.073 0.000 2.464 741 G HA2 -0.291 3.699 3.960 0.050 0.000 0.216 741 G HA3 -0.291 3.699 3.960 0.050 0.000 0.216 741 G C 0.537 175.480 174.900 0.070 0.000 1.186 741 G CA -0.138 45.033 45.100 0.118 0.000 1.010 741 G HN 0.164 nan 8.290 nan 0.000 0.585 742 F N 2.370 122.276 119.950 -0.073 0.000 2.171 742 F HA 0.443 4.999 4.527 0.050 0.000 0.300 742 F C 1.899 177.440 175.800 -0.432 0.000 1.090 742 F CA 2.568 60.425 58.000 -0.238 0.000 1.293 742 F CB -0.251 38.608 39.000 -0.236 0.000 1.013 742 F HN 0.891 nan 8.300 nan 0.000 0.486 743 A N -0.408 122.258 122.820 -0.256 0.000 2.288 743 A HA 0.466 4.816 4.320 0.050 0.000 0.328 743 A C -1.112 176.409 177.584 -0.106 0.000 1.123 743 A CA -0.709 51.151 52.037 -0.295 0.000 0.861 743 A CB 0.443 19.266 19.000 -0.296 0.000 1.272 743 A HN 0.200 nan 8.150 nan 0.000 0.490 744 D N 0.526 120.881 120.400 -0.076 0.000 2.362 744 D HA 0.548 5.218 4.640 0.050 0.000 0.247 744 D C -1.131 175.188 176.300 0.032 0.000 1.050 744 D CA 0.087 54.071 54.000 -0.027 0.000 0.839 744 D CB 1.933 42.693 40.800 -0.068 0.000 1.283 744 D HN 0.345 nan 8.370 nan 0.000 0.477 745 T N 1.500 116.090 114.554 0.060 0.000 2.879 745 T HA 0.423 4.803 4.350 0.050 0.000 0.290 745 T C 0.310 175.063 174.700 0.088 0.000 0.993 745 T CA -0.496 61.654 62.100 0.084 0.000 0.975 745 T CB 1.077 70.020 68.868 0.125 0.000 0.981 745 T HN 0.173 nan 8.240 nan 0.000 0.439 746 I N 2.824 123.426 120.570 0.053 0.000 2.325 746 I HA 0.181 4.381 4.170 0.050 0.000 0.291 746 I C 1.523 177.699 176.117 0.098 0.000 1.019 746 I CA -0.203 61.142 61.300 0.075 0.000 1.302 746 I CB 1.374 39.320 38.000 -0.090 0.000 1.401 746 I HN 0.680 nan 8.210 nan 0.000 0.485 747 T N 4.842 119.476 114.554 0.133 0.000 2.851 747 T HA 0.125 4.505 4.350 0.050 0.000 0.262 747 T C 0.559 175.327 174.700 0.113 0.000 1.043 747 T CA 0.807 62.968 62.100 0.102 0.000 1.140 747 T CB 0.158 69.061 68.868 0.058 0.000 0.872 747 T HN 0.700 nan 8.240 nan 0.000 0.446 748 A N -0.063 122.806 122.820 0.081 0.000 2.488 748 A HA 0.613 4.963 4.320 0.050 0.000 0.298 748 A C -2.190 175.365 177.584 -0.049 0.000 1.044 748 A CA -0.755 51.262 52.037 -0.033 0.000 0.693 748 A CB 1.267 20.298 19.000 0.052 0.000 1.272 748 A HN 0.425 nan 8.150 nan 0.000 0.402 749 W N 2.181 123.251 121.300 -0.383 0.000 2.839 749 W HA 0.647 5.336 4.660 0.049 0.000 0.334 749 W C -0.431 175.910 176.519 -0.296 0.000 1.064 749 W CA 0.058 57.188 57.345 -0.360 0.000 1.236 749 W CB 2.143 31.236 29.460 -0.612 0.000 1.405 749 W HN 1.021 nan 8.180 nan 0.000 0.478 750 T N 2.115 116.004 114.554 -1.109 0.000 2.896 750 T HA 0.316 4.696 4.350 0.050 0.000 0.297 750 T C 0.392 174.119 174.700 -1.623 0.000 1.108 750 T CA -0.820 60.630 62.100 -1.083 0.000 1.004 750 T CB 2.099 70.721 68.868 -0.411 0.000 1.159 750 T HN 0.547 nan 8.240 nan 0.000 0.499 751 R N 1.236 121.056 120.500 -1.134 0.000 2.091 751 R HA 0.062 4.432 4.340 0.050 0.000 0.238 751 R C 0.619 176.755 176.300 -0.272 0.000 1.136 751 R CA 1.565 57.318 56.100 -0.577 0.000 0.959 751 R CB -0.399 29.823 30.300 -0.131 0.000 0.856 751 R HN 0.707 nan 8.270 nan 0.000 0.437 752 N N 0.000 118.584 118.700 -0.194 0.000 1.763 752 N HA 0.000 4.770 4.740 0.050 0.000 0.220 752 N CA 0.000 53.010 53.050 -0.067 0.000 0.885 752 N CB 0.000 38.461 38.487 -0.044 0.000 1.341 752 N HN 0.000 nan 8.380 nan 0.000 0.667