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 1ot1_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIAFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.569 177.584 -0.025 0.000 1.274 1 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 1 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 2 P HA 0.217 nan 4.420 nan 0.000 0.274 2 P C -0.034 177.238 177.300 -0.045 0.000 1.246 2 P CA 0.164 63.244 63.100 -0.033 0.000 0.795 2 P CB 0.706 32.383 31.700 -0.040 0.000 1.006 3 D N 0.121 120.502 120.400 -0.032 0.000 2.221 3 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 3 D C 1.164 177.418 176.300 -0.077 0.000 0.982 3 D CA 1.940 55.922 54.000 -0.030 0.000 0.857 3 D CB -1.377 39.444 40.800 0.034 0.000 0.934 3 D HN 0.449 nan 8.370 nan 0.000 0.475 4 T N -2.632 111.867 114.554 -0.092 0.000 3.113 4 T HA 0.037 4.387 4.350 -0.000 0.000 0.256 4 T C 1.080 175.691 174.700 -0.148 0.000 1.131 4 T CA -0.015 62.002 62.100 -0.137 0.000 1.074 4 T CB -0.235 68.556 68.868 -0.129 0.000 0.944 4 T HN 0.136 nan 8.240 nan 0.000 0.516 5 S N 0.544 116.168 115.700 -0.127 0.000 2.568 5 S HA 0.123 4.593 4.470 -0.000 0.000 0.282 5 S C 1.460 175.955 174.600 -0.174 0.000 1.338 5 S CA -0.290 57.831 58.200 -0.130 0.000 1.045 5 S CB 1.080 64.217 63.200 -0.104 0.000 0.873 5 S HN 0.244 nan 8.310 nan 0.000 0.516 6 V N 4.538 124.347 119.914 -0.175 0.000 2.720 6 V HA -0.078 4.042 4.120 -0.000 0.000 0.256 6 V C 2.219 178.161 176.094 -0.254 0.000 1.082 6 V CA 2.499 64.670 62.300 -0.215 0.000 1.101 6 V CB -0.856 30.861 31.823 -0.176 0.000 0.693 6 V HN 1.039 nan 8.190 nan 0.000 0.479 7 S N -0.049 115.524 115.700 -0.211 0.000 2.561 7 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 7 S C 1.150 175.666 174.600 -0.140 0.000 0.977 7 S CA 0.481 58.565 58.200 -0.194 0.000 0.926 7 S CB -0.699 62.416 63.200 -0.141 0.000 0.769 7 S HN 0.621 nan 8.310 nan 0.000 0.533 8 N N 2.433 121.042 118.700 -0.152 0.000 2.549 8 N HA 0.174 4.914 4.740 -0.000 0.000 0.267 8 N C 0.394 175.847 175.510 -0.095 0.000 1.182 8 N CA 0.034 53.016 53.050 -0.114 0.000 1.019 8 N CB 0.296 38.700 38.487 -0.139 0.000 1.380 8 N HN 0.448 nan 8.380 nan 0.000 0.505 9 K N 1.566 121.977 120.400 0.018 0.000 2.432 9 K HA -0.041 4.279 4.320 -0.000 0.000 0.196 9 K C 0.668 177.464 176.600 0.327 0.000 1.038 9 K CA 0.748 57.144 56.287 0.181 0.000 0.986 9 K CB 0.425 33.028 32.500 0.171 0.000 0.782 9 K HN 0.409 nan 8.250 nan 0.000 0.485 10 Q N 0.118 120.051 119.800 0.222 0.000 2.356 10 Q HA 0.076 4.416 4.340 -0.000 0.000 0.205 10 Q C -0.313 175.879 176.000 0.320 0.000 0.901 10 Q CA 0.246 56.233 55.803 0.307 0.000 0.938 10 Q CB 0.453 29.328 28.738 0.228 0.000 1.081 10 Q HN 0.054 nan 8.270 nan 0.000 0.517 11 N N -0.613 118.140 118.700 0.089 0.000 2.500 11 N HA 0.178 4.918 4.740 -0.000 0.000 0.291 11 N C -1.382 173.938 175.510 -0.318 0.000 1.092 11 N CA -0.310 52.579 53.050 -0.268 0.000 0.890 11 N CB 0.494 38.766 38.487 -0.359 0.000 1.466 11 N HN -0.123 nan 8.380 nan 0.000 0.507 12 F N 1.107 120.610 119.950 -0.744 0.000 2.661 12 F HA 0.298 4.825 4.527 -0.000 0.000 0.306 12 F C 1.864 177.363 175.800 -0.501 0.000 1.094 12 F CA -0.097 57.522 58.000 -0.635 0.000 1.254 12 F CB 0.437 38.903 39.000 -0.891 0.000 1.040 12 F HN 0.424 nan 8.300 nan 0.000 0.562 13 S N -0.630 114.868 115.700 -0.337 0.000 2.447 13 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 13 S C 2.116 176.511 174.600 -0.342 0.000 1.006 13 S CA 1.732 59.764 58.200 -0.281 0.000 0.957 13 S CB -0.486 62.603 63.200 -0.185 0.000 0.773 13 S HN 0.524 nan 8.310 nan 0.000 0.507 14 T N -0.779 113.558 114.554 -0.362 0.000 3.086 14 T HA 0.167 4.517 4.350 -0.000 0.000 0.250 14 T C 0.079 174.611 174.700 -0.280 0.000 1.074 14 T CA -0.276 61.607 62.100 -0.362 0.000 0.988 14 T CB 0.049 68.708 68.868 -0.347 0.000 0.988 14 T HN 0.059 nan 8.240 nan 0.000 0.530 15 D N 0.745 120.990 120.400 -0.258 0.000 2.384 15 D HA 0.548 5.188 4.640 -0.000 0.000 0.250 15 D C -0.905 175.312 176.300 -0.139 0.000 1.029 15 D CA -0.493 53.385 54.000 -0.204 0.000 0.990 15 D CB 2.552 43.213 40.800 -0.232 0.000 1.175 15 D HN 0.011 nan 8.370 nan 0.000 0.532 16 V N 1.804 121.655 119.914 -0.104 0.000 2.443 16 V HA 0.326 4.446 4.120 -0.000 0.000 0.293 16 V C 0.124 176.202 176.094 -0.026 0.000 1.021 16 V CA -0.652 61.600 62.300 -0.080 0.000 0.848 16 V CB 1.552 33.311 31.823 -0.106 0.000 0.998 16 V HN 0.354 nan 8.190 nan 0.000 0.424 17 I N 4.494 125.064 120.570 -0.000 0.000 2.472 17 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 17 I C -0.845 175.248 176.117 -0.040 0.000 1.016 17 I CA -0.553 60.762 61.300 0.025 0.000 1.348 17 I CB 1.004 39.034 38.000 0.050 0.000 1.417 17 I HN 0.576 nan 8.210 nan 0.000 0.521 18 Y N 5.060 125.244 120.300 -0.193 0.000 2.334 18 Y HA 0.283 4.833 4.550 -0.000 0.000 0.336 18 Y C -0.341 175.311 175.900 -0.414 0.000 0.960 18 Y CA -0.717 57.239 58.100 -0.241 0.000 1.164 18 Y CB 1.006 39.367 38.460 -0.166 0.000 1.155 18 Y HN 0.474 nan 8.280 nan 0.000 0.478 19 Q N 7.115 126.411 119.800 -0.840 0.000 2.324 19 Q HA 0.312 4.652 4.340 -0.000 0.000 0.257 19 Q C -0.777 174.917 176.000 -0.510 0.000 1.080 19 Q CA 0.189 55.359 55.803 -1.054 0.000 0.907 19 Q CB 0.739 29.037 28.738 -0.734 0.000 1.274 19 Q HN 0.613 nan 8.270 nan 0.000 0.434 20 I N 2.994 123.369 120.570 -0.324 0.000 2.304 20 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 20 I C -0.404 175.652 176.117 -0.100 0.000 1.018 20 I CA -0.600 60.547 61.300 -0.254 0.000 1.260 20 I CB 0.473 38.300 38.000 -0.287 0.000 1.390 20 I HN 0.518 nan 8.210 nan 0.000 0.475 21 F N 6.517 126.244 119.950 -0.372 0.000 2.406 21 F HA 0.135 4.662 4.527 -0.000 0.000 0.358 21 F C 1.652 177.288 175.800 -0.274 0.000 1.161 21 F CA -0.052 57.799 58.000 -0.248 0.000 1.185 21 F CB 0.475 39.329 39.000 -0.242 0.000 1.421 21 F HN 0.556 nan 8.300 nan 0.000 0.576 22 T N 1.918 116.323 114.554 -0.249 0.000 2.624 22 T HA -0.363 3.987 4.350 -0.000 0.000 0.266 22 T C 1.582 176.278 174.700 -0.006 0.000 1.050 22 T CA 2.283 64.265 62.100 -0.197 0.000 1.163 22 T CB -0.300 68.190 68.868 -0.631 0.000 0.861 22 T HN 0.655 nan 8.240 nan 0.000 0.443 23 D N 0.244 120.696 120.400 0.086 0.000 2.263 23 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 23 D C 1.927 178.385 176.300 0.263 0.000 0.971 23 D CA 0.681 54.851 54.000 0.284 0.000 0.867 23 D CB 0.140 41.191 40.800 0.417 0.000 0.929 23 D HN 0.114 nan 8.370 nan 0.000 0.492 24 R N -0.750 119.898 120.500 0.246 0.000 2.432 24 R HA 0.119 4.459 4.340 -0.000 0.000 0.260 24 R C 0.818 177.193 176.300 0.126 0.000 0.935 24 R CA -0.162 56.024 56.100 0.144 0.000 1.080 24 R CB -0.343 30.017 30.300 0.101 0.000 1.155 24 R HN 0.267 nan 8.270 nan 0.000 0.531 25 F N 0.483 120.419 119.950 -0.024 0.000 2.204 25 F HA 0.288 4.815 4.527 -0.000 0.000 0.276 25 F C 0.302 176.238 175.800 0.226 0.000 1.085 25 F CA 0.229 58.280 58.000 0.085 0.000 1.160 25 F CB 0.294 39.340 39.000 0.077 0.000 1.091 25 F HN -0.200 nan 8.300 nan 0.000 0.522 26 S N 0.019 115.799 115.700 0.133 0.000 2.649 26 S HA 0.217 4.687 4.470 -0.000 0.000 0.274 26 S C -1.817 172.850 174.600 0.110 0.000 1.176 26 S CA -0.794 57.429 58.200 0.039 0.000 0.988 26 S CB 0.680 63.795 63.200 -0.141 0.000 1.071 26 S HN 0.252 nan 8.310 nan 0.000 0.478 27 D N 3.678 124.141 120.400 0.106 0.000 2.435 27 D HA 0.380 5.020 4.640 -0.000 0.000 0.230 27 D C 1.225 177.575 176.300 0.083 0.000 1.215 27 D CA 0.054 54.123 54.000 0.116 0.000 0.947 27 D CB 0.454 41.337 40.800 0.139 0.000 1.048 27 D HN 0.681 nan 8.370 nan 0.000 0.512 28 G N 3.162 112.012 108.800 0.082 0.000 2.777 28 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.211 28 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.211 28 G C 0.670 175.604 174.900 0.056 0.000 1.149 28 G CA -0.239 44.898 45.100 0.063 0.000 0.785 28 G HN 0.468 nan 8.290 nan 0.000 0.536 29 N N -0.310 118.424 118.700 0.056 0.000 2.648 29 N HA 0.334 5.074 4.740 -0.000 0.000 0.261 29 N C -2.291 173.226 175.510 0.012 0.000 1.138 29 N CA -1.906 51.164 53.050 0.035 0.000 0.804 29 N CB 2.098 40.609 38.487 0.040 0.000 1.237 29 N HN -0.235 nan 8.380 nan 0.000 0.532 30 P HA -0.037 nan 4.420 nan 0.000 0.221 30 P C 0.919 178.171 177.300 -0.081 0.000 1.145 30 P CA 0.909 63.994 63.100 -0.025 0.000 0.795 30 P CB 0.334 32.032 31.700 -0.004 0.000 0.775 31 A N 0.902 123.688 122.820 -0.058 0.000 2.019 31 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 31 A C 1.742 179.264 177.584 -0.102 0.000 1.164 31 A CA 1.912 53.905 52.037 -0.073 0.000 0.644 31 A CB -1.396 17.578 19.000 -0.042 0.000 0.805 31 A HN 0.331 nan 8.150 nan 0.000 0.449 32 N N -0.240 118.403 118.700 -0.095 0.000 2.322 32 N HA 0.017 4.757 4.740 -0.000 0.000 0.194 32 N C -0.550 174.848 175.510 -0.186 0.000 1.126 32 N CA -0.272 52.706 53.050 -0.119 0.000 0.845 32 N CB -0.534 37.904 38.487 -0.082 0.000 0.976 32 N HN 0.190 nan 8.380 nan 0.000 0.475 33 N N 2.074 120.628 118.700 -0.243 0.000 2.492 33 N HA 0.199 4.939 4.740 -0.000 0.000 0.262 33 N C -2.260 172.955 175.510 -0.493 0.000 1.202 33 N CA -0.999 51.807 53.050 -0.408 0.000 0.926 33 N CB 0.240 38.303 38.487 -0.706 0.000 1.078 33 N HN 0.204 nan 8.380 nan 0.000 0.454 34 P HA 0.110 nan 4.420 nan 0.000 0.271 34 P C -0.016 177.088 177.300 -0.326 0.000 1.233 34 P CA -0.101 62.792 63.100 -0.344 0.000 0.789 34 P CB 0.537 32.024 31.700 -0.354 0.000 0.951 35 T N -2.764 111.699 114.554 -0.150 0.000 2.910 35 T HA 0.688 5.038 4.350 -0.000 0.000 0.287 35 T C 0.570 175.302 174.700 0.054 0.000 1.050 35 T CA -0.083 61.971 62.100 -0.076 0.000 1.011 35 T CB 1.142 69.952 68.868 -0.097 0.000 1.195 35 T HN 0.717 nan 8.240 nan 0.000 0.540 36 G N 0.838 109.684 108.800 0.077 0.000 2.566 36 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.280 36 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.280 36 G C 1.151 176.124 174.900 0.122 0.000 1.225 36 G CA 0.682 45.832 45.100 0.084 0.000 0.966 36 G HN 1.840 nan 8.290 nan 0.000 0.560 37 A N -0.346 122.530 122.820 0.093 0.000 2.172 37 A HA 0.449 4.769 4.320 -0.000 0.000 0.216 37 A C 2.576 180.237 177.584 0.128 0.000 1.154 37 A CA 2.408 54.502 52.037 0.094 0.000 0.701 37 A CB -0.583 18.459 19.000 0.070 0.000 0.789 37 A HN 2.227 nan 8.150 nan 0.000 0.465 38 A N -2.011 120.911 122.820 0.169 0.000 2.275 38 A HA 0.514 4.834 4.320 -0.000 0.000 0.212 38 A C 0.196 177.987 177.584 0.346 0.000 1.201 38 A CA 0.017 52.198 52.037 0.240 0.000 0.843 38 A CB -0.197 18.939 19.000 0.227 0.000 0.873 38 A HN 0.488 nan 8.150 nan 0.000 0.492 39 F N -0.519 119.489 119.950 0.097 0.000 2.565 39 F HA 0.595 5.122 4.527 -0.000 0.000 0.313 39 F C -1.744 174.091 175.800 0.059 0.000 1.091 39 F CA -1.452 56.604 58.000 0.094 0.000 0.915 39 F CB 1.966 40.999 39.000 0.054 0.000 1.208 39 F HN -0.034 nan 8.300 nan 0.000 0.453 40 D N 3.080 122.949 120.400 -0.884 0.000 2.336 40 D HA 0.266 4.906 4.640 -0.000 0.000 0.248 40 D C 0.853 176.573 176.300 -0.966 0.000 1.326 40 D CA -0.026 53.569 54.000 -0.674 0.000 0.973 40 D CB 1.233 41.844 40.800 -0.316 0.000 1.255 40 D HN 0.726 nan 8.370 nan 0.000 0.558 41 G N 1.818 110.046 108.800 -0.953 0.000 2.479 41 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 41 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 41 G C 1.282 176.067 174.900 -0.192 0.000 1.115 41 G CA 1.515 46.352 45.100 -0.439 0.000 0.757 41 G HN 0.544 nan 8.290 nan 0.000 0.560 42 T N -4.117 110.328 114.554 -0.180 0.000 3.100 42 T HA 0.074 4.424 4.350 -0.000 0.000 0.253 42 T C 1.250 175.884 174.700 -0.110 0.000 1.118 42 T CA 0.512 62.550 62.100 -0.102 0.000 1.058 42 T CB -0.497 68.327 68.868 -0.073 0.000 0.953 42 T HN 0.531 nan 8.240 nan 0.000 0.515 43 c N 1.853 120.352 118.600 -0.168 0.000 4.235 43 c HA -0.201 4.369 4.570 -0.000 0.000 0.301 43 c C 1.622 175.647 174.090 -0.107 0.000 1.409 43 c CA 0.955 57.198 56.329 -0.143 0.000 2.024 43 c CB -2.678 39.778 42.510 -0.090 0.000 1.286 43 c HN 0.797 nan 8.230 nan 0.000 0.746 44 T N -0.524 113.966 114.554 -0.106 0.000 2.939 44 T HA -0.021 4.329 4.350 -0.000 0.000 0.254 44 T C 0.832 175.485 174.700 -0.078 0.000 1.041 44 T CA 1.048 63.103 62.100 -0.074 0.000 1.142 44 T CB -0.173 68.659 68.868 -0.059 0.000 0.874 44 T HN 0.695 nan 8.240 nan 0.000 0.452 45 N N 2.229 120.870 118.700 -0.098 0.000 2.439 45 N HA 0.147 4.887 4.740 -0.000 0.000 0.243 45 N C 0.517 175.935 175.510 -0.153 0.000 1.088 45 N CA -0.114 52.879 53.050 -0.095 0.000 0.940 45 N CB 0.339 38.779 38.487 -0.078 0.000 1.180 45 N HN 0.299 nan 8.380 nan 0.000 0.505 46 L N 2.782 123.915 121.223 -0.149 0.000 2.622 46 L HA 0.036 4.376 4.340 -0.000 0.000 0.233 46 L C 1.601 178.215 176.870 -0.426 0.000 1.156 46 L CA 0.491 55.189 54.840 -0.238 0.000 0.866 46 L CB -0.039 41.940 42.059 -0.133 0.000 0.980 46 L HN 0.342 nan 8.230 nan 0.000 0.448 47 R N -0.659 119.660 120.500 -0.301 0.000 2.397 47 R HA 0.320 4.660 4.340 -0.000 0.000 0.241 47 R C 0.100 176.248 176.300 -0.255 0.000 0.914 47 R CA -0.043 55.906 56.100 -0.253 0.000 1.071 47 R CB 0.548 30.870 30.300 0.037 0.000 1.116 47 R HN 0.246 nan 8.270 nan 0.000 0.524 48 L N -0.378 120.667 121.223 -0.297 0.000 2.304 48 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 48 L C -0.252 176.527 176.870 -0.152 0.000 1.010 48 L CA -1.327 53.446 54.840 -0.111 0.000 0.813 48 L CB 0.633 42.671 42.059 -0.035 0.000 1.315 48 L HN -0.100 nan 8.230 nan 0.000 0.445 49 Y N -0.806 119.522 120.300 0.046 0.000 2.511 49 Y HA -0.027 4.523 4.550 -0.000 0.000 0.332 49 Y C 0.902 176.823 175.900 0.034 0.000 1.177 49 Y CA 0.071 58.266 58.100 0.158 0.000 1.422 49 Y CB 0.812 39.456 38.460 0.307 0.000 1.271 49 Y HN 0.534 nan 8.280 nan 0.000 0.550 50 c N 0.828 119.556 118.600 0.214 0.000 3.019 50 c HA 0.333 4.903 4.570 -0.000 0.000 0.295 50 c C 1.689 175.970 174.090 0.318 0.000 1.256 50 c CA 0.477 56.825 56.329 0.031 0.000 1.706 50 c CB -0.358 42.156 42.510 0.006 0.000 2.153 50 c HN 1.213 nan 8.230 nan 0.000 0.618 51 G N 0.274 109.381 108.800 0.511 0.000 2.231 51 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.206 51 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.206 51 G C 0.404 175.472 174.900 0.280 0.000 0.996 51 G CA -0.100 45.270 45.100 0.449 0.000 0.645 51 G HN 0.774 nan 8.290 nan 0.000 0.498 52 G N 0.933 109.892 108.800 0.265 0.000 2.305 52 G HA2 0.503 4.463 3.960 -0.000 0.000 0.243 52 G HA3 0.503 4.463 3.960 -0.000 0.000 0.243 52 G C 0.052 175.058 174.900 0.176 0.000 1.288 52 G CA 1.180 46.406 45.100 0.209 0.000 0.901 52 G HN 1.025 nan 8.290 nan 0.000 0.516 53 D N -0.028 120.453 120.400 0.135 0.000 2.744 53 D HA 0.271 4.911 4.640 -0.000 0.000 0.304 53 D C 0.503 176.899 176.300 0.159 0.000 1.179 53 D CA -0.924 53.106 54.000 0.050 0.000 1.024 53 D CB 0.267 41.096 40.800 0.048 0.000 1.453 53 D HN 0.303 nan 8.370 nan 0.000 0.529 54 W N -0.571 120.816 121.300 0.145 0.000 2.436 54 W HA 0.004 4.664 4.660 -0.000 0.000 0.284 54 W C 2.021 178.595 176.519 0.092 0.000 1.225 54 W CA 0.729 58.141 57.345 0.112 0.000 1.271 54 W CB -0.907 28.639 29.460 0.144 0.000 1.114 54 W HN 0.524 nan 8.180 nan 0.000 0.559 55 Q N 0.537 120.512 119.800 0.291 0.000 2.124 55 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 55 Q C 2.381 178.468 176.000 0.145 0.000 0.977 55 Q CA 2.411 58.322 55.803 0.181 0.000 0.850 55 Q CB -1.013 27.803 28.738 0.130 0.000 0.901 55 Q HN 0.162 nan 8.270 nan 0.000 0.429 56 G N 0.487 109.382 108.800 0.157 0.000 2.418 56 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 56 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 56 G C 1.450 176.451 174.900 0.167 0.000 1.158 56 G CA 0.991 46.164 45.100 0.122 0.000 0.771 56 G HN 0.434 nan 8.290 nan 0.000 0.545 57 I N 0.548 121.292 120.570 0.290 0.000 2.226 57 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 57 I C 2.660 178.884 176.117 0.178 0.000 1.100 57 I CA 0.781 62.279 61.300 0.331 0.000 1.374 57 I CB -0.237 37.927 38.000 0.274 0.000 1.057 57 I HN 0.150 nan 8.210 nan 0.000 0.413 58 I N 0.991 121.636 120.570 0.126 0.000 2.208 58 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 58 I C 2.214 178.354 176.117 0.038 0.000 1.097 58 I CA 1.358 62.695 61.300 0.061 0.000 1.363 58 I CB -0.561 37.473 38.000 0.057 0.000 1.051 58 I HN 0.327 nan 8.210 nan 0.000 0.413 59 N N 0.956 119.675 118.700 0.031 0.000 2.120 59 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 59 N C 1.703 177.178 175.510 -0.059 0.000 1.024 59 N CA 1.132 54.169 53.050 -0.020 0.000 0.852 59 N CB -0.269 38.192 38.487 -0.043 0.000 1.003 59 N HN 0.236 nan 8.380 nan 0.000 0.424 60 K N 0.799 121.163 120.400 -0.059 0.000 2.288 60 K HA 0.122 4.442 4.320 -0.000 0.000 0.201 60 K C 2.006 178.625 176.600 0.031 0.000 1.048 60 K CA 0.204 56.438 56.287 -0.088 0.000 0.956 60 K CB -0.138 32.321 32.500 -0.068 0.000 0.746 60 K HN 0.319 nan 8.250 nan 0.000 0.461 61 I N 0.705 121.300 120.570 0.043 0.000 2.333 61 I HA -0.212 3.958 4.170 -0.000 0.000 0.246 61 I C 1.482 177.600 176.117 0.001 0.000 1.106 61 I CA 1.018 62.332 61.300 0.022 0.000 1.411 61 I CB -0.183 37.825 38.000 0.013 0.000 1.082 61 I HN 0.230 nan 8.210 nan 0.000 0.420 62 N N 0.746 119.444 118.700 -0.004 0.000 2.331 62 N HA -0.165 4.575 4.740 -0.000 0.000 0.180 62 N C 0.836 176.337 175.510 -0.014 0.000 1.019 62 N CA 1.090 54.134 53.050 -0.010 0.000 0.881 62 N CB 0.025 38.507 38.487 -0.009 0.000 0.972 62 N HN 0.428 nan 8.380 nan 0.000 0.435 63 D N -0.660 119.726 120.400 -0.023 0.000 2.328 63 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 63 D C 1.135 177.436 176.300 0.002 0.000 1.072 63 D CA 0.162 54.148 54.000 -0.024 0.000 0.850 63 D CB -0.074 40.693 40.800 -0.056 0.000 0.922 63 D HN 0.174 nan 8.370 nan 0.000 0.516 64 G N -0.249 108.559 108.800 0.013 0.000 2.159 64 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.256 64 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.256 64 G C 0.622 175.564 174.900 0.069 0.000 0.977 64 G CA 0.375 45.490 45.100 0.026 0.000 0.652 64 G HN 0.366 nan 8.290 nan 0.000 0.531 65 Y N 0.801 121.081 120.300 -0.033 0.000 2.145 65 Y HA 0.059 4.609 4.550 -0.000 0.000 0.286 65 Y C 2.632 178.560 175.900 0.047 0.000 1.145 65 Y CA 2.428 60.548 58.100 0.034 0.000 1.148 65 Y CB -0.333 38.083 38.460 -0.073 0.000 0.981 65 Y HN 0.311 nan 8.280 nan 0.000 0.507 66 L N -0.870 120.297 121.223 -0.094 0.000 2.044 66 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 66 L C 2.607 179.336 176.870 -0.235 0.000 1.075 66 L CA 1.747 56.423 54.840 -0.273 0.000 0.747 66 L CB -1.251 40.700 42.059 -0.181 0.000 0.903 66 L HN 0.309 nan 8.230 nan 0.000 0.435 67 T N -2.611 111.867 114.554 -0.126 0.000 2.788 67 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 67 T C 1.923 176.557 174.700 -0.110 0.000 1.044 67 T CA 1.103 63.139 62.100 -0.107 0.000 1.139 67 T CB -0.994 67.838 68.868 -0.061 0.000 0.867 67 T HN 0.394 nan 8.240 nan 0.000 0.454 68 G N 0.364 109.123 108.800 -0.070 0.000 2.470 68 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 68 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 68 G C 1.461 176.298 174.900 -0.106 0.000 1.121 68 G CA 0.493 45.593 45.100 -0.001 0.000 0.766 68 G HN 0.511 nan 8.290 nan 0.000 0.553 69 M N -0.109 119.270 119.600 -0.368 0.000 2.509 69 M HA 0.231 4.711 4.480 -0.000 0.000 0.250 69 M C 1.725 177.783 176.300 -0.404 0.000 1.132 69 M CA 0.847 55.725 55.300 -0.705 0.000 1.080 69 M CB 0.485 32.492 32.600 -0.987 0.000 1.408 69 M HN 0.358 nan 8.290 nan 0.000 0.484 70 G N 0.802 109.442 108.800 -0.267 0.000 2.141 70 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.242 70 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.242 70 G C -0.031 174.756 174.900 -0.188 0.000 0.982 70 G CA 0.035 45.015 45.100 -0.199 0.000 0.662 70 G HN 0.313 nan 8.290 nan 0.000 0.527 71 V N 1.621 121.408 119.914 -0.212 0.000 2.572 71 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 71 V C 1.592 177.613 176.094 -0.123 0.000 1.039 71 V CA 1.391 63.593 62.300 -0.163 0.000 1.055 71 V CB 1.307 33.007 31.823 -0.205 0.000 0.969 71 V HN 0.812 nan 8.190 nan 0.000 0.482 72 T N 0.844 115.340 114.554 -0.097 0.000 3.091 72 T HA 0.689 5.039 4.350 -0.000 0.000 0.277 72 T C 0.015 174.677 174.700 -0.063 0.000 0.996 72 T CA 0.370 62.412 62.100 -0.098 0.000 0.897 72 T CB 0.428 69.213 68.868 -0.139 0.000 1.109 72 T HN 1.071 nan 8.240 nan 0.000 0.534 73 A N 1.432 124.254 122.820 0.003 0.000 2.605 73 A HA 0.773 5.093 4.320 -0.000 0.000 0.294 73 A C -1.437 176.230 177.584 0.138 0.000 1.062 73 A CA -1.175 50.928 52.037 0.110 0.000 0.682 73 A CB 1.031 20.168 19.000 0.227 0.000 1.278 73 A HN 0.857 nan 8.150 nan 0.000 0.410 74 I N -2.292 118.390 120.570 0.187 0.000 2.894 74 I HA 0.966 5.136 4.170 -0.000 0.000 0.302 74 I C -1.077 175.211 176.117 0.283 0.000 1.188 74 I CA -0.909 60.485 61.300 0.157 0.000 1.014 74 I CB 2.102 40.156 38.000 0.090 0.000 1.242 74 I HN 0.994 nan 8.210 nan 0.000 0.430 75 W N 6.010 127.384 121.300 0.123 0.000 2.781 75 W HA 0.882 5.542 4.660 -0.000 0.000 0.345 75 W C -1.558 174.972 176.519 0.019 0.000 1.085 75 W CA -1.752 55.653 57.345 0.100 0.000 1.198 75 W CB 0.340 29.895 29.460 0.158 0.000 1.423 75 W HN 0.706 nan 8.180 nan 0.000 0.532 76 I N 0.454 121.243 120.570 0.364 0.000 3.002 76 I HA 0.703 4.873 4.170 -0.000 0.000 0.310 76 I C 0.058 176.187 176.117 0.021 0.000 1.087 76 I CA -1.217 60.187 61.300 0.173 0.000 1.017 76 I CB 1.906 39.978 38.000 0.121 0.000 1.226 76 I HN 0.373 nan 8.210 nan 0.000 0.443 77 S N 1.844 117.437 115.700 -0.179 0.000 2.566 77 S HA -0.043 4.427 4.470 -0.000 0.000 0.280 77 S C 0.040 174.515 174.600 -0.208 0.000 1.343 77 S CA -0.227 57.742 58.200 -0.385 0.000 1.036 77 S CB 0.257 63.095 63.200 -0.604 0.000 0.866 77 S HN 0.717 nan 8.310 nan 0.000 0.526 78 Q N 3.175 122.788 119.800 -0.311 0.000 2.308 78 Q HA -0.042 4.298 4.340 -0.000 0.000 0.313 78 Q C -1.413 174.597 176.000 0.018 0.000 1.075 78 Q CA -0.895 54.792 55.803 -0.193 0.000 0.995 78 Q CB 0.571 29.147 28.738 -0.270 0.000 1.107 78 Q HN 0.355 nan 8.270 nan 0.000 0.380 79 P HA -0.056 nan 4.420 nan 0.000 0.236 79 P C 0.420 177.843 177.300 0.206 0.000 1.177 79 P CA 0.395 63.671 63.100 0.293 0.000 0.773 79 P CB -0.094 31.558 31.700 -0.080 0.000 0.878 80 V N -1.329 118.576 119.914 -0.016 0.000 3.051 80 V HA 0.198 4.318 4.120 -0.000 0.000 0.306 80 V C 0.475 176.539 176.094 -0.049 0.000 1.083 80 V CA -0.957 61.391 62.300 0.079 0.000 1.104 80 V CB 0.047 31.841 31.823 -0.048 0.000 1.027 80 V HN 0.003 nan 8.190 nan 0.000 0.483 81 E N 3.138 123.324 120.200 -0.023 0.000 2.417 81 E HA 0.075 4.425 4.350 -0.000 0.000 0.261 81 E C -0.065 176.392 176.600 -0.238 0.000 1.000 81 E CA 0.135 56.456 56.400 -0.132 0.000 0.919 81 E CB 0.207 29.875 29.700 -0.054 0.000 0.955 81 E HN 0.895 nan 8.360 nan 0.000 0.455 82 N N 3.132 121.628 118.700 -0.340 0.000 2.518 82 N HA 0.311 5.051 4.740 -0.000 0.000 0.284 82 N C 0.149 175.393 175.510 -0.443 0.000 1.230 82 N CA -0.800 52.077 53.050 -0.288 0.000 0.941 82 N CB 0.959 39.308 38.487 -0.231 0.000 1.219 82 N HN 0.473 nan 8.380 nan 0.000 0.560 83 I N -1.291 119.155 120.570 -0.208 0.000 2.993 83 I HA -0.013 4.157 4.170 -0.000 0.000 0.286 83 I C -0.172 175.751 176.117 -0.323 0.000 1.215 83 I CA 0.066 61.240 61.300 -0.211 0.000 1.393 83 I CB 0.226 38.213 38.000 -0.021 0.000 1.371 83 I HN 0.604 nan 8.210 nan 0.000 0.602 84 Y N 1.703 122.017 120.300 0.024 0.000 2.458 84 Y HA 0.238 4.788 4.550 -0.000 0.000 0.256 84 Y C 1.274 177.199 175.900 0.041 0.000 1.159 84 Y CA -0.291 57.819 58.100 0.018 0.000 1.261 84 Y CB -0.140 38.296 38.460 -0.040 0.000 1.119 84 Y HN 0.536 nan 8.280 nan 0.000 0.524 85 S N 1.283 117.060 115.700 0.127 0.000 2.568 85 S HA 0.188 4.658 4.470 -0.000 0.000 0.282 85 S C 0.038 174.702 174.600 0.106 0.000 1.338 85 S CA -0.072 58.162 58.200 0.057 0.000 1.045 85 S CB 0.433 63.583 63.200 -0.083 0.000 0.873 85 S HN 0.149 nan 8.310 nan 0.000 0.516 86 I N 3.196 123.806 120.570 0.067 0.000 2.388 86 I HA 0.309 4.479 4.170 -0.000 0.000 0.281 86 I C -0.458 175.670 176.117 0.018 0.000 1.046 86 I CA -0.183 61.176 61.300 0.097 0.000 1.187 86 I CB 0.339 38.394 38.000 0.092 0.000 1.351 86 I HN 0.441 nan 8.210 nan 0.000 0.472 87 I N 5.056 125.630 120.570 0.006 0.000 2.395 87 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 87 I C 0.354 176.383 176.117 -0.146 0.000 1.023 87 I CA -0.280 60.912 61.300 -0.180 0.000 1.350 87 I CB 0.889 38.648 38.000 -0.401 0.000 1.409 87 I HN 0.530 nan 8.210 nan 0.000 0.507 88 N N 6.011 124.618 118.700 -0.154 0.000 2.462 88 N HA 0.161 4.901 4.740 -0.000 0.000 0.242 88 N C -1.375 174.071 175.510 -0.107 0.000 1.010 88 N CA -0.241 52.773 53.050 -0.060 0.000 0.939 88 N CB 0.314 38.799 38.487 -0.004 0.000 1.127 88 N HN 0.277 nan 8.380 nan 0.000 0.509 89 Y N 2.871 123.246 120.300 0.124 0.000 2.804 89 Y HA 0.263 4.813 4.550 -0.000 0.000 0.330 89 Y C 0.354 176.295 175.900 0.068 0.000 1.092 89 Y CA -0.649 57.512 58.100 0.101 0.000 1.315 89 Y CB 0.065 38.593 38.460 0.114 0.000 1.188 89 Y HN 0.587 nan 8.280 nan 0.000 0.512 90 S N 2.096 117.899 115.700 0.171 0.000 3.625 90 S HA -0.130 4.340 4.470 -0.000 0.000 0.426 90 S C 1.279 175.934 174.600 0.092 0.000 0.884 90 S CA 0.835 59.100 58.200 0.109 0.000 1.322 90 S CB -1.431 61.832 63.200 0.104 0.000 0.905 90 S HN 1.457 nan 8.310 nan 0.000 0.586 91 G N -1.436 107.409 108.800 0.074 0.000 2.212 91 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.266 91 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.266 91 G C 0.118 175.060 174.900 0.072 0.000 0.978 91 G CA 0.149 45.286 45.100 0.061 0.000 0.632 91 G HN 1.471 nan 8.290 nan 0.000 0.537 92 V N 1.453 121.429 119.914 0.103 0.000 2.448 92 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 92 V C -0.156 176.020 176.094 0.136 0.000 1.025 92 V CA -1.456 60.912 62.300 0.113 0.000 0.859 92 V CB 1.687 33.587 31.823 0.129 0.000 0.988 92 V HN 0.270 nan 8.190 nan 0.000 0.431 93 N N 4.108 122.874 118.700 0.109 0.000 2.520 93 N HA 0.312 5.052 4.740 -0.000 0.000 0.273 93 N C -0.507 175.108 175.510 0.175 0.000 1.155 93 N CA 0.105 53.227 53.050 0.119 0.000 0.967 93 N CB 0.690 39.231 38.487 0.090 0.000 1.092 93 N HN 0.673 nan 8.380 nan 0.000 0.457 94 N N 0.058 118.903 118.700 0.242 0.000 2.238 94 N HA 0.386 5.126 4.740 -0.000 0.000 0.302 94 N C -0.434 175.303 175.510 0.379 0.000 1.072 94 N CA -0.367 52.901 53.050 0.363 0.000 0.792 94 N CB 2.260 41.121 38.487 0.623 0.000 1.425 94 N HN 0.535 nan 8.380 nan 0.000 0.478 95 T N -2.603 112.132 114.554 0.302 0.000 2.883 95 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 95 T C 0.404 174.978 174.700 -0.209 0.000 1.041 95 T CA -0.733 61.503 62.100 0.227 0.000 1.007 95 T CB 1.573 70.580 68.868 0.232 0.000 1.220 95 T HN 0.340 nan 8.240 nan 0.000 0.552 96 A N 0.325 122.959 122.820 -0.310 0.000 2.579 96 A HA 0.296 4.616 4.320 -0.000 0.000 0.273 96 A C 1.302 178.183 177.584 -1.171 0.000 1.363 96 A CA -0.256 51.208 52.037 -0.955 0.000 0.953 96 A CB -1.601 17.240 19.000 -0.266 0.000 1.034 96 A HN 0.939 nan 8.150 nan 0.000 0.536 97 Y N 0.048 119.576 120.300 -1.288 0.000 2.298 97 Y HA -0.333 4.217 4.550 -0.000 0.000 0.287 97 Y C 1.788 177.362 175.900 -0.543 0.000 1.164 97 Y CA 1.775 59.118 58.100 -1.261 0.000 1.229 97 Y CB -1.261 36.693 38.460 -0.845 0.000 0.977 97 Y HN 0.651 nan 8.280 nan 0.000 0.538 98 H N -1.364 116.937 119.070 -1.283 0.000 2.547 98 H HA 0.326 4.882 4.556 -0.000 0.000 0.272 98 H C 2.006 176.878 175.328 -0.761 0.000 0.989 98 H CA -0.028 55.457 56.048 -0.938 0.000 1.214 98 H CB -0.651 28.670 29.762 -0.735 0.000 1.389 98 H HN 0.435 nan 8.280 nan 0.000 0.577 99 G N -0.192 108.276 108.800 -0.553 0.000 2.184 99 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 99 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 99 G C 0.399 175.122 174.900 -0.294 0.000 0.975 99 G CA 0.565 45.451 45.100 -0.356 0.000 0.642 99 G HN 0.527 nan 8.290 nan 0.000 0.536 100 Y N -1.162 119.180 120.300 0.069 0.000 2.466 100 Y HA 0.352 4.902 4.550 -0.000 0.000 0.272 100 Y C 0.842 176.955 175.900 0.356 0.000 1.169 100 Y CA -0.446 57.723 58.100 0.115 0.000 1.285 100 Y CB 0.302 38.773 38.460 0.019 0.000 1.078 100 Y HN 0.387 nan 8.280 nan 0.000 0.523 101 W N 1.409 122.841 121.300 0.220 0.000 2.024 101 W HA 0.677 5.337 4.660 -0.000 0.000 0.318 101 W C 0.102 176.594 176.519 -0.045 0.000 0.817 101 W CA -2.092 55.327 57.345 0.123 0.000 1.745 101 W CB -0.608 28.906 29.460 0.090 0.000 1.940 101 W HN -0.162 nan 8.180 nan 0.000 0.346 102 A N 2.295 125.166 122.820 0.085 0.000 2.407 102 A HA 0.501 4.821 4.320 -0.000 0.000 0.248 102 A C 1.298 178.823 177.584 -0.099 0.000 1.082 102 A CA 0.022 51.925 52.037 -0.222 0.000 0.785 102 A CB 0.592 19.120 19.000 -0.788 0.000 1.020 102 A HN 0.665 nan 8.150 nan 0.000 0.489 103 R N -0.150 120.283 120.500 -0.112 0.000 2.576 103 R HA 0.297 4.637 4.340 -0.000 0.000 0.237 103 R C -0.850 175.570 176.300 0.201 0.000 0.917 103 R CA 0.098 56.259 56.100 0.102 0.000 1.002 103 R CB 0.710 31.073 30.300 0.105 0.000 1.428 103 R HN 0.492 nan 8.270 nan 0.000 0.603 104 D N 0.142 120.575 120.400 0.055 0.000 2.365 104 D HA 0.170 4.809 4.640 -0.000 0.000 0.235 104 D C -0.641 175.779 176.300 0.201 0.000 1.368 104 D CA -0.611 53.535 54.000 0.243 0.000 1.001 104 D CB 0.870 41.793 40.800 0.205 0.000 1.364 104 D HN -0.003 nan 8.370 nan 0.000 0.577 105 F N 1.687 121.881 119.950 0.407 0.000 2.771 105 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 105 F C 2.049 178.114 175.800 0.443 0.000 1.177 105 F CA 0.618 58.849 58.000 0.385 0.000 1.450 105 F CB 0.260 39.440 39.000 0.300 0.000 1.114 105 F HN 0.100 nan 8.300 nan 0.000 0.587 106 K N -0.306 120.359 120.400 0.441 0.000 2.373 106 K HA 0.169 4.489 4.320 -0.000 0.000 0.202 106 K C 0.217 176.893 176.600 0.127 0.000 1.025 106 K CA 0.128 56.547 56.287 0.221 0.000 1.115 106 K CB 0.548 33.148 32.500 0.167 0.000 0.858 106 K HN 0.122 nan 8.250 nan 0.000 0.525 107 K N 0.630 121.163 120.400 0.221 0.000 2.395 107 K HA 0.247 4.567 4.320 -0.000 0.000 0.245 107 K C -0.217 176.553 176.600 0.283 0.000 1.017 107 K CA -0.708 55.679 56.287 0.166 0.000 0.852 107 K CB 1.965 34.540 32.500 0.125 0.000 1.311 107 K HN -0.047 nan 8.250 nan 0.000 0.452 108 T N -1.580 113.131 114.554 0.262 0.000 2.902 108 T HA 0.188 4.538 4.350 -0.000 0.000 0.280 108 T C 0.170 174.948 174.700 0.130 0.000 0.992 108 T CA -0.835 61.485 62.100 0.367 0.000 1.015 108 T CB 0.833 69.993 68.868 0.486 0.000 1.044 108 T HN 0.438 nan 8.240 nan 0.000 0.520 109 N N 2.588 121.288 118.700 0.000 0.000 2.402 109 N HA 0.181 4.921 4.740 -0.000 0.000 0.252 109 N C -1.293 174.036 175.510 -0.301 0.000 1.118 109 N CA -2.371 50.505 53.050 -0.289 0.000 0.945 109 N CB 1.114 39.172 38.487 -0.714 0.000 1.147 109 N HN 0.397 nan 8.380 nan 0.000 0.495 110 P HA -0.168 nan 4.420 nan 0.000 0.218 110 P C 0.840 178.017 177.300 -0.206 0.000 1.146 110 P CA 0.988 64.017 63.100 -0.118 0.000 0.813 110 P CB 0.253 31.934 31.700 -0.032 0.000 0.778 111 A N -0.790 121.840 122.820 -0.317 0.000 1.930 111 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 111 A C 2.100 179.577 177.584 -0.179 0.000 1.175 111 A CA 1.220 53.074 52.037 -0.305 0.000 0.627 111 A CB -1.540 17.181 19.000 -0.465 0.000 0.815 111 A HN 0.085 nan 8.150 nan 0.000 0.443 112 Y N -0.752 119.273 120.300 -0.459 0.000 2.286 112 Y HA 0.367 4.917 4.550 -0.000 0.000 0.293 112 Y C 1.590 176.913 175.900 -0.963 0.000 1.124 112 Y CA 0.147 57.701 58.100 -0.910 0.000 1.178 112 Y CB -0.788 36.729 38.460 -1.571 0.000 1.010 112 Y HN 0.452 nan 8.280 nan 0.000 0.536 113 G N -1.137 107.340 108.800 -0.538 0.000 2.359 113 G HA2 0.312 4.272 3.960 -0.000 0.000 0.293 113 G HA3 0.312 4.272 3.960 -0.000 0.000 0.293 113 G C -0.695 174.307 174.900 0.170 0.000 1.300 113 G CA -0.512 44.553 45.100 -0.059 0.000 0.888 113 G HN 0.192 nan 8.290 nan 0.000 0.541 114 T N -1.553 113.190 114.554 0.314 0.000 2.884 114 T HA 0.583 4.933 4.350 -0.000 0.000 0.277 114 T C 1.565 176.524 174.700 0.431 0.000 0.976 114 T CA -0.460 61.815 62.100 0.292 0.000 0.956 114 T CB 0.988 69.964 68.868 0.180 0.000 1.113 114 T HN 0.418 nan 8.240 nan 0.000 0.554 115 I N 0.714 121.453 120.570 0.281 0.000 2.286 115 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 115 I C 2.960 179.225 176.117 0.247 0.000 1.115 115 I CA 1.727 63.168 61.300 0.235 0.000 1.392 115 I CB -1.939 36.113 38.000 0.087 0.000 1.065 115 I HN 0.881 nan 8.210 nan 0.000 0.418 116 A N 0.509 123.446 122.820 0.196 0.000 1.902 116 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 116 A C 1.999 179.697 177.584 0.189 0.000 1.181 116 A CA 1.800 53.930 52.037 0.155 0.000 0.623 116 A CB -0.529 18.540 19.000 0.115 0.000 0.818 116 A HN 0.351 nan 8.150 nan 0.000 0.443 117 D N -1.149 119.419 120.400 0.279 0.000 2.117 117 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 117 D C 1.616 178.092 176.300 0.293 0.000 0.987 117 D CA 1.147 55.344 54.000 0.330 0.000 0.829 117 D CB -0.400 40.697 40.800 0.496 0.000 0.961 117 D HN 0.463 nan 8.370 nan 0.000 0.460 118 F N 1.675 121.720 119.950 0.158 0.000 2.134 118 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 118 F C 2.462 178.192 175.800 -0.117 0.000 1.097 118 F CA 1.407 59.289 58.000 -0.197 0.000 1.264 118 F CB -0.105 38.771 39.000 -0.206 0.000 1.001 118 F HN -0.098 nan 8.300 nan 0.000 0.479 119 Q N -0.013 119.842 119.800 0.093 0.000 2.084 119 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 119 Q C 1.928 177.874 176.000 -0.090 0.000 0.978 119 Q CA 2.000 57.804 55.803 0.003 0.000 0.844 119 Q CB -0.459 28.321 28.738 0.069 0.000 0.898 119 Q HN 0.602 nan 8.270 nan 0.000 0.426 120 N N 0.152 118.828 118.700 -0.040 0.000 2.166 120 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 120 N C 1.716 177.156 175.510 -0.118 0.000 1.019 120 N CA 0.536 53.560 53.050 -0.043 0.000 0.856 120 N CB -0.029 38.473 38.487 0.025 0.000 0.993 120 N HN 0.094 nan 8.380 nan 0.000 0.426 121 L N 1.370 122.468 121.223 -0.208 0.000 2.017 121 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 121 L C 1.831 178.464 176.870 -0.394 0.000 1.073 121 L CA 1.435 56.096 54.840 -0.298 0.000 0.745 121 L CB -0.514 41.253 42.059 -0.486 0.000 0.894 121 L HN 0.130 nan 8.230 nan 0.000 0.432 122 I N 0.302 120.544 120.570 -0.545 0.000 2.208 122 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 122 I C 2.680 178.475 176.117 -0.536 0.000 1.097 122 I CA 1.578 62.510 61.300 -0.613 0.000 1.363 122 I CB -1.901 35.796 38.000 -0.506 0.000 1.051 122 I HN 0.408 nan 8.210 nan 0.000 0.413 123 A N 0.810 123.463 122.820 -0.278 0.000 1.873 123 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 123 A C 2.597 180.123 177.584 -0.096 0.000 1.186 123 A CA 2.024 53.981 52.037 -0.133 0.000 0.616 123 A CB -0.863 18.098 19.000 -0.065 0.000 0.823 123 A HN 0.411 nan 8.150 nan 0.000 0.442 124 A N -0.100 122.658 122.820 -0.104 0.000 1.877 124 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 124 A C 2.528 180.077 177.584 -0.058 0.000 1.186 124 A CA 2.304 54.304 52.037 -0.062 0.000 0.620 124 A CB -1.109 17.860 19.000 -0.051 0.000 0.822 124 A HN 1.064 nan 8.150 nan 0.000 0.443 125 A N -0.650 122.104 122.820 -0.111 0.000 1.858 125 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 125 A C 1.947 179.549 177.584 0.030 0.000 1.190 125 A CA 1.736 53.731 52.037 -0.070 0.000 0.617 125 A CB -1.188 17.731 19.000 -0.134 0.000 0.827 125 A HN 0.759 nan 8.150 nan 0.000 0.443 126 H N -0.848 118.189 119.070 -0.056 0.000 2.422 126 H HA -0.044 4.512 4.556 -0.000 0.000 0.298 126 H C 2.388 177.688 175.328 -0.047 0.000 1.098 126 H CA 0.593 56.611 56.048 -0.050 0.000 1.315 126 H CB 0.008 29.744 29.762 -0.044 0.000 1.382 126 H HN 0.575 nan 8.280 nan 0.000 0.523 127 A N 0.875 123.743 122.820 0.080 0.000 2.067 127 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 127 A C 1.705 179.294 177.584 0.008 0.000 1.158 127 A CA 1.113 53.167 52.037 0.029 0.000 0.661 127 A CB 0.105 19.112 19.000 0.012 0.000 0.801 127 A HN 0.125 nan 8.150 nan 0.000 0.452 128 K N 0.152 120.555 120.400 0.006 0.000 2.498 128 K HA 0.114 4.434 4.320 -0.000 0.000 0.207 128 K C -0.316 176.271 176.600 -0.023 0.000 1.033 128 K CA -0.283 55.996 56.287 -0.013 0.000 1.138 128 K CB -0.023 32.467 32.500 -0.018 0.000 0.860 128 K HN 0.470 nan 8.250 nan 0.000 0.490 129 N N 0.890 119.581 118.700 -0.016 0.000 2.725 129 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 129 N C -0.581 174.903 175.510 -0.045 0.000 1.103 129 N CA 0.772 53.795 53.050 -0.044 0.000 0.707 129 N CB -1.402 37.043 38.487 -0.069 0.000 1.043 129 N HN 0.347 nan 8.380 nan 0.000 0.553 130 I N 0.813 121.385 120.570 0.005 0.000 2.378 130 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 130 I C 0.636 176.808 176.117 0.092 0.000 0.992 130 I CA -0.577 60.730 61.300 0.010 0.000 1.154 130 I CB 1.392 39.392 38.000 0.001 0.000 1.315 130 I HN -0.205 nan 8.210 nan 0.000 0.448 131 K N 4.663 125.100 120.400 0.060 0.000 2.154 131 K HA 0.571 4.891 4.320 -0.000 0.000 0.264 131 K C -0.918 175.822 176.600 0.234 0.000 1.008 131 K CA -0.597 55.782 56.287 0.153 0.000 0.937 131 K CB 1.714 34.200 32.500 -0.023 0.000 1.002 131 K HN 0.275 nan 8.250 nan 0.000 0.469 132 V N 3.951 124.030 119.914 0.275 0.000 2.444 132 V HA 0.365 4.484 4.120 -0.000 0.000 0.294 132 V C -0.348 175.917 176.094 0.285 0.000 1.022 132 V CA -0.752 61.667 62.300 0.199 0.000 0.850 132 V CB 1.139 32.956 31.823 -0.009 0.000 0.992 132 V HN 0.589 nan 8.190 nan 0.000 0.426 133 I N 6.045 126.802 120.570 0.312 0.000 2.412 133 I HA 0.559 4.729 4.170 -0.000 0.000 0.296 133 I C -0.157 176.076 176.117 0.193 0.000 0.987 133 I CA -0.614 60.855 61.300 0.282 0.000 1.180 133 I CB 1.770 39.999 38.000 0.381 0.000 1.340 133 I HN 0.609 nan 8.210 nan 0.000 0.455 134 I N 2.771 123.394 120.570 0.089 0.000 2.493 134 I HA 0.820 4.990 4.170 -0.000 0.000 0.298 134 I C 0.106 176.162 176.117 -0.103 0.000 0.998 134 I CA -0.707 60.595 61.300 0.003 0.000 1.137 134 I CB 1.793 39.754 38.000 -0.065 0.000 1.310 134 I HN 0.555 nan 8.210 nan 0.000 0.445 135 A N 5.180 127.908 122.820 -0.153 0.000 2.371 135 A HA 0.636 4.956 4.320 -0.000 0.000 0.257 135 A C -1.035 176.531 177.584 -0.030 0.000 1.089 135 A CA 0.001 51.918 52.037 -0.199 0.000 0.794 135 A CB 0.316 19.146 19.000 -0.282 0.000 1.029 135 A HN 0.690 nan 8.150 nan 0.000 0.488 136 F N 1.427 121.278 119.950 -0.165 0.000 2.585 136 F HA 0.557 5.084 4.527 -0.000 0.000 0.319 136 F C -0.046 175.758 175.800 0.007 0.000 1.165 136 F CA -0.488 57.470 58.000 -0.070 0.000 0.949 136 F CB 1.838 40.805 39.000 -0.054 0.000 1.218 136 F HN 0.646 nan 8.300 nan 0.000 0.453 137 A N 7.733 130.418 122.820 -0.225 0.000 2.938 137 A HA 0.482 4.802 4.320 -0.000 0.000 0.344 137 A C -2.361 175.073 177.584 -0.250 0.000 1.142 137 A CA -1.131 50.823 52.037 -0.139 0.000 0.841 137 A CB -0.214 18.815 19.000 0.048 0.000 1.083 137 A HN 0.461 nan 8.150 nan 0.000 0.479 138 P HA -0.036 nan 4.420 nan 0.000 0.253 138 P C 0.560 177.784 177.300 -0.127 0.000 1.281 138 P CA 0.468 63.345 63.100 -0.372 0.000 0.792 138 P CB 0.073 31.588 31.700 -0.307 0.000 1.193 139 N N 0.768 119.384 118.700 -0.140 0.000 2.354 139 N HA -0.095 4.645 4.740 -0.000 0.000 0.179 139 N C 0.760 176.299 175.510 0.049 0.000 1.021 139 N CA 0.530 53.592 53.050 0.020 0.000 0.887 139 N CB 0.008 38.568 38.487 0.121 0.000 0.974 139 N HN 0.290 nan 8.380 nan 0.000 0.437 140 H N -4.692 114.444 119.070 0.110 0.000 2.948 140 H HA 0.271 4.827 4.556 -0.000 0.000 0.315 140 H C -0.126 175.349 175.328 0.245 0.000 1.360 140 H CA -0.129 56.000 56.048 0.134 0.000 1.125 140 H CB 0.727 30.540 29.762 0.086 0.000 1.844 140 H HN 0.031 nan 8.280 nan 0.000 0.529 141 T N -0.793 113.996 114.554 0.391 0.000 3.608 141 T HA 0.337 4.687 4.350 -0.000 0.000 0.213 141 T C 0.673 175.547 174.700 0.290 0.000 0.897 141 T CA 0.848 63.143 62.100 0.326 0.000 1.533 141 T CB -0.510 68.551 68.868 0.322 0.000 1.504 141 T HN 0.840 nan 8.240 nan 0.000 0.446 142 S N 0.586 116.335 115.700 0.082 0.000 2.688 142 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 142 S C -3.353 171.047 174.600 -0.334 0.000 1.175 142 S CA -1.589 56.538 58.200 -0.121 0.000 0.818 142 S CB 0.991 64.123 63.200 -0.114 0.000 1.157 142 S HN 0.222 nan 8.310 nan 0.000 0.482 143 P HA 0.457 nan 4.420 nan 0.000 0.264 143 P C -0.907 176.274 177.300 -0.199 0.000 1.183 143 P CA 0.430 63.314 63.100 -0.360 0.000 0.763 143 P CB 0.384 31.808 31.700 -0.459 0.000 0.807 144 A N 2.201 124.992 122.820 -0.048 0.000 2.610 144 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 144 A C -1.114 176.525 177.584 0.092 0.000 1.086 144 A CA -0.451 51.592 52.037 0.009 0.000 0.677 144 A CB 1.526 20.324 19.000 -0.337 0.000 1.278 144 A HN 0.340 nan 8.150 nan 0.000 0.414 145 S N -0.266 115.561 115.700 0.211 0.000 2.736 145 S HA 0.468 4.938 4.470 -0.000 0.000 0.285 145 S C 0.919 175.649 174.600 0.216 0.000 1.163 145 S CA 0.258 58.546 58.200 0.147 0.000 1.025 145 S CB 1.027 64.216 63.200 -0.019 0.000 1.030 145 S HN 1.793 nan 8.310 nan 0.000 0.486 146 S N 3.206 119.067 115.700 0.269 0.000 2.402 146 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 146 S C 0.990 175.604 174.600 0.022 0.000 1.021 146 S CA 1.144 59.402 58.200 0.096 0.000 0.974 146 S CB -0.366 62.784 63.200 -0.083 0.000 0.800 146 S HN 0.736 nan 8.310 nan 0.000 0.484 147 D N 1.616 122.027 120.400 0.019 0.000 2.277 147 D HA 0.061 4.701 4.640 -0.000 0.000 0.208 147 D C 0.533 176.836 176.300 0.004 0.000 0.962 147 D CA 0.754 54.750 54.000 -0.006 0.000 0.865 147 D CB -0.047 40.742 40.800 -0.019 0.000 0.939 147 D HN 0.583 nan 8.370 nan 0.000 0.510 148 Q N 0.785 120.600 119.800 0.026 0.000 2.700 148 Q HA 0.160 4.500 4.340 -0.000 0.000 0.249 148 Q C -1.853 174.203 176.000 0.093 0.000 1.033 148 Q CA -1.446 54.383 55.803 0.043 0.000 0.804 148 Q CB 2.074 30.826 28.738 0.022 0.000 1.164 148 Q HN 0.052 nan 8.270 nan 0.000 0.500 149 P HA -0.190 nan 4.420 nan 0.000 0.225 149 P C 1.053 178.391 177.300 0.063 0.000 1.148 149 P CA 1.209 64.347 63.100 0.064 0.000 0.779 149 P CB 0.367 32.087 31.700 0.033 0.000 0.780 150 S N -1.521 114.221 115.700 0.070 0.000 2.522 150 S HA -0.048 4.422 4.470 -0.000 0.000 0.227 150 S C 0.615 175.259 174.600 0.073 0.000 0.986 150 S CA -0.463 57.770 58.200 0.055 0.000 0.929 150 S CB -1.241 61.987 63.200 0.046 0.000 0.769 150 S HN 0.010 nan 8.310 nan 0.000 0.529 151 F N 3.832 123.756 119.950 -0.043 0.000 2.504 151 F HA 0.512 5.039 4.527 -0.000 0.000 0.369 151 F C 0.994 176.742 175.800 -0.086 0.000 1.082 151 F CA -0.320 57.637 58.000 -0.072 0.000 1.216 151 F CB -0.134 38.819 39.000 -0.079 0.000 1.108 151 F HN 0.504 nan 8.300 nan 0.000 0.554 152 A N 4.849 127.171 122.820 -0.831 0.000 5.481 152 A HA -0.353 3.967 4.320 -0.000 0.000 0.318 152 A C 1.040 178.437 177.584 -0.311 0.000 1.837 152 A CA 1.508 53.121 52.037 -0.706 0.000 0.717 152 A CB -1.508 16.856 19.000 -1.060 0.000 1.349 152 A HN 0.823 nan 8.150 nan 0.000 0.388 153 E N 0.923 120.977 120.200 -0.243 0.000 2.569 153 E HA 0.234 4.584 4.350 -0.000 0.000 0.205 153 E C 0.449 177.015 176.600 -0.056 0.000 1.006 153 E CA 0.401 56.753 56.400 -0.080 0.000 0.985 153 E CB -0.117 29.582 29.700 -0.003 0.000 1.060 153 E HN 0.655 nan 8.360 nan 0.000 0.460 154 N N 0.503 119.147 118.700 -0.094 0.000 2.693 154 N HA -0.249 4.491 4.740 -0.000 0.000 0.249 154 N C 0.698 176.145 175.510 -0.105 0.000 1.119 154 N CA 0.359 53.384 53.050 -0.042 0.000 0.717 154 N CB -0.788 37.704 38.487 0.008 0.000 1.071 154 N HN 0.535 nan 8.380 nan 0.000 0.555 155 G N 0.163 108.868 108.800 -0.159 0.000 2.233 155 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.270 155 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.270 155 G C 0.206 175.065 174.900 -0.067 0.000 1.011 155 G CA 0.798 45.778 45.100 -0.201 0.000 0.762 155 G HN 0.648 nan 8.290 nan 0.000 0.511 156 R N -0.992 119.519 120.500 0.019 0.000 2.585 156 R HA 0.304 4.644 4.340 -0.000 0.000 0.275 156 R C 0.201 176.582 176.300 0.135 0.000 1.018 156 R CA -0.109 56.025 56.100 0.056 0.000 1.072 156 R CB 0.426 30.732 30.300 0.009 0.000 0.953 156 R HN 0.291 nan 8.270 nan 0.000 0.419 157 L N 4.199 125.459 121.223 0.061 0.000 2.313 157 L HA 0.376 4.716 4.340 -0.000 0.000 0.283 157 L C -1.515 175.262 176.870 -0.156 0.000 1.013 157 L CA -0.430 54.457 54.840 0.078 0.000 0.816 157 L CB 0.999 43.087 42.059 0.049 0.000 1.236 157 L HN 0.387 nan 8.230 nan 0.000 0.419 158 Y N 2.104 122.436 120.300 0.053 0.000 2.487 158 Y HA 0.479 5.029 4.550 -0.000 0.000 0.337 158 Y C -0.376 175.571 175.900 0.078 0.000 1.076 158 Y CA -0.778 57.352 58.100 0.049 0.000 1.115 158 Y CB 1.595 40.109 38.460 0.090 0.000 1.235 158 Y HN 0.568 nan 8.280 nan 0.000 0.468 159 D N 2.169 122.708 120.400 0.232 0.000 2.462 159 D HA 0.134 4.774 4.640 -0.000 0.000 0.249 159 D C -0.325 176.156 176.300 0.302 0.000 1.117 159 D CA -0.331 53.872 54.000 0.338 0.000 0.900 159 D CB -0.162 40.759 40.800 0.202 0.000 1.039 159 D HN 0.575 nan 8.370 nan 0.000 0.516 160 N N 3.474 122.361 118.700 0.312 0.000 2.725 160 N HA -0.239 4.501 4.740 -0.000 0.000 0.251 160 N C 0.955 176.562 175.510 0.162 0.000 1.031 160 N CA 1.976 55.145 53.050 0.198 0.000 0.720 160 N CB -1.079 37.497 38.487 0.149 0.000 0.930 160 N HN 0.818 nan 8.380 nan 0.000 0.543 161 G N -2.705 106.209 108.800 0.190 0.000 2.279 161 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.223 161 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.223 161 G C 0.226 175.285 174.900 0.265 0.000 1.015 161 G CA 0.267 45.460 45.100 0.155 0.000 0.621 161 G HN 0.713 nan 8.290 nan 0.000 0.506 162 T N 2.569 117.268 114.554 0.243 0.000 2.749 162 T HA 0.528 4.878 4.350 -0.000 0.000 0.295 162 T C 0.208 175.003 174.700 0.158 0.000 0.936 162 T CA -0.220 61.994 62.100 0.190 0.000 1.060 162 T CB 1.843 70.777 68.868 0.109 0.000 0.904 162 T HN 0.665 nan 8.240 nan 0.000 0.500 163 L N 5.046 126.314 121.223 0.075 0.000 2.513 163 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 163 L C 0.649 177.398 176.870 -0.201 0.000 1.187 163 L CA 0.455 55.116 54.840 -0.299 0.000 0.895 163 L CB -0.059 41.827 42.059 -0.289 0.000 1.147 163 L HN 0.713 nan 8.230 nan 0.000 0.483 164 L N 4.484 125.550 121.223 -0.261 0.000 2.286 164 L HA 0.487 4.827 4.340 -0.000 0.000 0.203 164 L C 1.034 177.820 176.870 -0.141 0.000 1.068 164 L CA 0.477 55.206 54.840 -0.184 0.000 0.811 164 L CB -0.276 41.635 42.059 -0.247 0.000 0.989 164 L HN 0.864 nan 8.230 nan 0.000 0.467 165 G N -1.304 107.414 108.800 -0.136 0.000 2.325 165 G HA2 0.422 4.382 3.960 -0.000 0.000 0.297 165 G HA3 0.422 4.382 3.960 -0.000 0.000 0.297 165 G C -1.451 173.515 174.900 0.110 0.000 1.448 165 G CA -0.174 44.917 45.100 -0.014 0.000 0.838 165 G HN 0.140 nan 8.290 nan 0.000 0.579 166 G N -1.865 107.024 108.800 0.148 0.000 3.042 166 G HA2 0.515 4.475 3.960 -0.000 0.000 0.278 166 G HA3 0.515 4.475 3.960 -0.000 0.000 0.278 166 G C 0.173 175.133 174.900 0.100 0.000 1.371 166 G CA -0.322 44.846 45.100 0.113 0.000 1.009 166 G HN 0.672 nan 8.290 nan 0.000 0.523 167 Y N 0.200 120.317 120.300 -0.306 0.000 2.314 167 Y HA 0.119 4.669 4.550 -0.000 0.000 0.293 167 Y C 1.772 177.674 175.900 0.004 0.000 1.129 167 Y CA 1.111 59.035 58.100 -0.293 0.000 1.201 167 Y CB 0.008 38.236 38.460 -0.387 0.000 0.999 167 Y HN 0.294 nan 8.280 nan 0.000 0.541 168 T N 1.329 115.892 114.554 0.015 0.000 2.889 168 T HA 0.119 4.469 4.350 -0.000 0.000 0.291 168 T C 0.114 174.780 174.700 -0.057 0.000 0.995 168 T CA -0.065 62.006 62.100 -0.048 0.000 1.092 168 T CB 0.750 69.615 68.868 -0.007 0.000 0.954 168 T HN 0.357 nan 8.240 nan 0.000 0.506 169 N N 1.758 120.395 118.700 -0.104 0.000 2.740 169 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 169 N C -0.745 174.724 175.510 -0.068 0.000 1.062 169 N CA 0.489 53.485 53.050 -0.089 0.000 0.704 169 N CB -0.946 37.510 38.487 -0.052 0.000 0.968 169 N HN 0.667 nan 8.380 nan 0.000 0.547 170 D N -0.603 119.740 120.400 -0.095 0.000 2.608 170 D HA 0.171 4.811 4.640 -0.000 0.000 0.224 170 D C 1.502 177.775 176.300 -0.044 0.000 1.123 170 D CA 0.519 54.524 54.000 0.009 0.000 1.030 170 D CB -0.142 40.776 40.800 0.197 0.000 1.093 170 D HN 0.408 nan 8.370 nan 0.000 0.497 171 T N -0.678 113.847 114.554 -0.049 0.000 2.915 171 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 171 T C 1.525 176.203 174.700 -0.037 0.000 1.071 171 T CA 0.907 62.973 62.100 -0.056 0.000 1.132 171 T CB -0.176 68.663 68.868 -0.049 0.000 0.878 171 T HN 0.341 nan 8.240 nan 0.000 0.479 172 Q N 0.954 120.740 119.800 -0.025 0.000 2.435 172 Q HA 0.146 4.486 4.340 -0.000 0.000 0.207 172 Q C -0.026 175.952 176.000 -0.036 0.000 0.956 172 Q CA 0.059 55.841 55.803 -0.035 0.000 0.917 172 Q CB -0.316 28.391 28.738 -0.051 0.000 0.997 172 Q HN 0.637 nan 8.270 nan 0.000 0.497 173 N N -0.113 118.589 118.700 0.002 0.000 2.727 173 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 173 N C 0.044 175.510 175.510 -0.072 0.000 1.040 173 N CA 0.048 53.118 53.050 0.034 0.000 0.712 173 N CB -1.070 37.425 38.487 0.014 0.000 0.912 173 N HN 0.252 nan 8.380 nan 0.000 0.545 174 L N -1.439 119.699 121.223 -0.142 0.000 2.313 174 L HA 0.097 4.437 4.340 -0.000 0.000 0.214 174 L C 0.398 176.798 176.870 -0.782 0.000 1.119 174 L CA 0.943 55.480 54.840 -0.504 0.000 0.809 174 L CB -0.078 41.568 42.059 -0.688 0.000 0.933 174 L HN 0.191 nan 8.230 nan 0.000 0.449 175 F N -2.714 117.171 119.950 -0.109 0.000 2.654 175 F HA 0.390 4.917 4.527 -0.000 0.000 0.334 175 F C 0.292 175.928 175.800 -0.273 0.000 1.078 175 F CA -1.024 56.854 58.000 -0.204 0.000 0.986 175 F CB 0.757 39.747 39.000 -0.016 0.000 1.362 175 F HN -0.248 nan 8.300 nan 0.000 0.498 176 H N -0.199 118.878 119.070 0.011 0.000 2.487 176 H HA 0.339 4.895 4.556 -0.000 0.000 0.333 176 H C -0.692 174.458 175.328 -0.295 0.000 1.114 176 H CA -0.487 55.521 56.048 -0.066 0.000 1.310 176 H CB 0.803 30.578 29.762 0.021 0.000 1.462 176 H HN 0.445 nan 8.280 nan 0.000 0.516 177 H N 2.691 121.871 119.070 0.184 0.000 2.471 177 H HA 0.139 4.695 4.556 -0.000 0.000 0.234 177 H C -0.226 175.112 175.328 0.016 0.000 1.388 177 H CA -0.289 55.788 56.048 0.050 0.000 1.198 177 H CB 0.204 29.903 29.762 -0.104 0.000 1.714 177 H HN 0.662 nan 8.280 nan 0.000 0.536 178 N N 0.897 119.642 118.700 0.075 0.000 2.282 178 N HA 0.172 4.912 4.740 -0.000 0.000 0.240 178 N C 1.108 176.608 175.510 -0.017 0.000 1.182 178 N CA 0.529 53.577 53.050 -0.002 0.000 0.874 178 N CB 2.109 40.558 38.487 -0.064 0.000 1.126 178 N HN 0.679 nan 8.380 nan 0.000 0.516 179 G N -0.013 108.797 108.800 0.017 0.000 2.681 179 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.220 179 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.220 179 G C -0.084 174.782 174.900 -0.058 0.000 1.353 179 G CA -0.516 44.575 45.100 -0.015 0.000 0.872 179 G HN 0.419 nan 8.290 nan 0.000 0.557 180 G N -1.134 107.607 108.800 -0.098 0.000 2.410 180 G HA2 0.698 4.658 3.960 -0.000 0.000 0.330 180 G HA3 0.698 4.658 3.960 -0.000 0.000 0.330 180 G C 0.220 174.979 174.900 -0.236 0.000 1.142 180 G CA 1.011 46.010 45.100 -0.169 0.000 0.902 180 G HN 1.340 nan 8.290 nan 0.000 0.491 181 T N -0.886 113.443 114.554 -0.375 0.000 2.899 181 T HA 0.254 4.604 4.350 -0.000 0.000 0.295 181 T C 0.768 175.140 174.700 -0.547 0.000 1.033 181 T CA 0.156 61.961 62.100 -0.491 0.000 1.084 181 T CB 0.849 69.289 68.868 -0.713 0.000 0.979 181 T HN 0.601 nan 8.240 nan 0.000 0.532 182 D N 1.865 122.035 120.400 -0.382 0.000 2.431 182 D HA 0.074 4.714 4.640 -0.000 0.000 0.213 182 D C 0.513 176.816 176.300 0.005 0.000 1.130 182 D CA -0.378 53.522 54.000 -0.167 0.000 0.834 182 D CB -0.621 40.136 40.800 -0.073 0.000 0.985 182 D HN 0.589 nan 8.370 nan 0.000 0.504 183 F N 0.486 120.380 119.950 -0.093 0.000 3.006 183 F HA -0.319 4.208 4.527 -0.000 0.000 0.289 183 F C 1.911 177.674 175.800 -0.061 0.000 0.772 183 F CA 0.743 58.699 58.000 -0.074 0.000 1.162 183 F CB -2.543 36.408 39.000 -0.082 0.000 1.382 183 F HN 0.162 nan 8.300 nan 0.000 0.406 184 S N -1.455 114.272 115.700 0.045 0.000 2.383 184 S HA 0.041 4.511 4.470 -0.000 0.000 0.227 184 S C 0.975 175.583 174.600 0.012 0.000 1.026 184 S CA 1.230 59.445 58.200 0.025 0.000 0.981 184 S CB -0.118 63.075 63.200 -0.012 0.000 0.818 184 S HN 0.716 nan 8.310 nan 0.000 0.472 185 T N -3.448 111.092 114.554 -0.024 0.000 2.864 185 T HA 0.505 4.855 4.350 -0.000 0.000 0.299 185 T C 0.639 175.292 174.700 -0.079 0.000 1.166 185 T CA -0.253 61.828 62.100 -0.032 0.000 1.007 185 T CB 1.297 70.132 68.868 -0.055 0.000 1.219 185 T HN -0.078 nan 8.240 nan 0.000 0.506 186 T N 0.570 115.088 114.554 -0.061 0.000 2.684 186 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 186 T C 1.649 176.164 174.700 -0.308 0.000 1.036 186 T CA 1.939 63.963 62.100 -0.127 0.000 1.148 186 T CB -0.456 68.441 68.868 0.049 0.000 0.863 186 T HN 0.844 nan 8.240 nan 0.000 0.436 187 E N 1.222 121.156 120.200 -0.444 0.000 2.085 187 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 187 E C 2.317 178.719 176.600 -0.329 0.000 0.994 187 E CA 1.126 57.085 56.400 -0.735 0.000 0.801 187 E CB -0.213 28.932 29.700 -0.925 0.000 0.743 187 E HN 0.371 nan 8.360 nan 0.000 0.453 188 N N 0.250 118.808 118.700 -0.237 0.000 2.104 188 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 188 N C 1.925 177.304 175.510 -0.217 0.000 1.024 188 N CA 1.641 54.581 53.050 -0.183 0.000 0.853 188 N CB -0.405 37.987 38.487 -0.158 0.000 1.008 188 N HN 0.267 nan 8.380 nan 0.000 0.424 189 G N 0.326 108.989 108.800 -0.228 0.000 2.534 189 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.217 189 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.217 189 G C 1.719 176.554 174.900 -0.108 0.000 1.128 189 G CA 0.118 45.117 45.100 -0.167 0.000 0.784 189 G HN 0.331 nan 8.290 nan 0.000 0.542 190 I N -1.295 119.093 120.570 -0.304 0.000 2.429 190 I HA 0.063 4.233 4.170 -0.000 0.000 0.247 190 I C 1.408 177.207 176.117 -0.530 0.000 1.099 190 I CA 0.562 61.582 61.300 -0.467 0.000 1.422 190 I CB 0.145 37.681 38.000 -0.773 0.000 1.112 190 I HN 0.077 nan 8.210 nan 0.000 0.430 191 Y N 1.344 121.517 120.300 -0.211 0.000 2.493 191 Y HA 0.277 4.827 4.550 -0.000 0.000 0.275 191 Y C 0.504 176.203 175.900 -0.335 0.000 1.183 191 Y CA -0.090 57.789 58.100 -0.368 0.000 1.258 191 Y CB -0.115 38.117 38.460 -0.380 0.000 1.108 191 Y HN -0.057 nan 8.280 nan 0.000 0.521 192 K N 0.176 120.503 120.400 -0.122 0.000 2.400 192 K HA 0.320 4.640 4.320 -0.000 0.000 0.246 192 K C -0.747 175.779 176.600 -0.123 0.000 0.995 192 K CA -1.228 54.991 56.287 -0.113 0.000 0.840 192 K CB 1.204 33.606 32.500 -0.162 0.000 1.293 192 K HN -0.098 nan 8.250 nan 0.000 0.445 193 N N 1.326 119.955 118.700 -0.120 0.000 2.508 193 N HA 0.119 4.859 4.740 -0.000 0.000 0.264 193 N C -0.407 174.929 175.510 -0.289 0.000 1.216 193 N CA 0.012 52.967 53.050 -0.158 0.000 0.943 193 N CB 0.395 38.793 38.487 -0.149 0.000 1.113 193 N HN 0.342 nan 8.380 nan 0.000 0.447 194 L N 3.482 124.516 121.223 -0.316 0.000 2.281 194 L HA 0.179 4.519 4.340 -0.000 0.000 0.285 194 L C 0.156 176.842 176.870 -0.307 0.000 1.074 194 L CA -0.246 54.296 54.840 -0.497 0.000 0.817 194 L CB -0.146 41.627 42.059 -0.477 0.000 1.168 194 L HN 0.579 nan 8.230 nan 0.000 0.434 195 Y N 1.360 121.534 120.300 -0.211 0.000 2.875 195 Y HA -0.423 4.127 4.550 -0.000 0.000 0.467 195 Y C 1.226 177.018 175.900 -0.180 0.000 1.183 195 Y CA 1.375 59.374 58.100 -0.169 0.000 2.568 195 Y CB -0.934 37.426 38.460 -0.168 0.000 1.216 195 Y HN 0.818 nan 8.280 nan 0.000 0.629 196 D N 0.709 121.136 120.400 0.046 0.000 2.424 196 D HA 0.240 4.880 4.640 -0.000 0.000 0.220 196 D C -0.387 175.812 176.300 -0.168 0.000 1.150 196 D CA 0.042 54.003 54.000 -0.065 0.000 0.831 196 D CB -0.644 40.155 40.800 -0.001 0.000 0.981 196 D HN 0.414 nan 8.370 nan 0.000 0.500 197 L N 1.169 122.287 121.223 -0.174 0.000 2.410 197 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 197 L C 0.768 177.464 176.870 -0.289 0.000 1.144 197 L CA -0.896 53.793 54.840 -0.251 0.000 0.863 197 L CB 0.754 42.607 42.059 -0.343 0.000 1.140 197 L HN 0.012 nan 8.230 nan 0.000 0.463 198 A N 2.818 125.401 122.820 -0.396 0.000 2.496 198 A HA 0.007 4.327 4.320 -0.000 0.000 0.278 198 A C 0.005 177.579 177.584 -0.016 0.000 1.137 198 A CA -0.215 51.484 52.037 -0.563 0.000 0.805 198 A CB -0.397 18.083 19.000 -0.867 0.000 1.077 198 A HN 0.744 nan 8.150 nan 0.000 0.513 199 D N 2.559 122.978 120.400 0.030 0.000 2.371 199 D HA 0.333 4.973 4.640 -0.000 0.000 0.256 199 D C 0.075 176.421 176.300 0.076 0.000 1.193 199 D CA 0.214 54.285 54.000 0.119 0.000 0.881 199 D CB 0.326 41.212 40.800 0.144 0.000 1.143 199 D HN 0.486 nan 8.370 nan 0.000 0.473 200 L N 3.555 124.724 121.223 -0.089 0.000 2.426 200 L HA 0.137 4.477 4.340 -0.000 0.000 0.271 200 L C 0.622 176.988 176.870 -0.840 0.000 1.169 200 L CA -0.311 54.236 54.840 -0.487 0.000 0.836 200 L CB 0.444 42.139 42.059 -0.608 0.000 1.112 200 L HN 0.433 nan 8.230 nan 0.000 0.465 201 N N 1.064 119.240 118.700 -0.873 0.000 2.558 201 N HA 0.109 4.849 4.740 -0.000 0.000 0.233 201 N C 0.459 175.585 175.510 -0.641 0.000 1.038 201 N CA -0.253 52.316 53.050 -0.803 0.000 0.934 201 N CB 0.377 38.538 38.487 -0.545 0.000 1.175 201 N HN 0.414 nan 8.380 nan 0.000 0.512 202 H N 1.103 119.886 119.070 -0.479 0.000 2.559 202 H HA 0.018 4.574 4.556 -0.000 0.000 0.273 202 H C 1.115 176.280 175.328 -0.271 0.000 1.000 202 H CA 0.613 56.279 56.048 -0.637 0.000 1.195 202 H CB 0.191 29.116 29.762 -1.395 0.000 1.368 202 H HN 0.550 nan 8.280 nan 0.000 0.592 203 N N 0.537 119.224 118.700 -0.023 0.000 2.463 203 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 203 N C 0.128 175.652 175.510 0.023 0.000 1.078 203 N CA -0.038 53.059 53.050 0.078 0.000 0.902 203 N CB 0.130 38.699 38.487 0.138 0.000 0.970 203 N HN 0.167 nan 8.380 nan 0.000 0.451 204 N N 0.296 118.957 118.700 -0.065 0.000 2.430 204 N HA 0.033 4.773 4.740 -0.000 0.000 0.265 204 N C 0.191 175.684 175.510 -0.029 0.000 1.100 204 N CA 0.173 53.181 53.050 -0.071 0.000 0.961 204 N CB 1.115 39.507 38.487 -0.159 0.000 1.075 204 N HN 0.037 nan 8.380 nan 0.000 0.478 205 S N 2.470 118.178 115.700 0.013 0.000 2.387 205 S HA -0.138 4.332 4.470 -0.000 0.000 0.230 205 S C 1.595 176.224 174.600 0.050 0.000 1.035 205 S CA 1.724 59.956 58.200 0.052 0.000 1.014 205 S CB -0.074 63.157 63.200 0.050 0.000 0.836 205 S HN 0.723 nan 8.310 nan 0.000 0.466 206 T N 1.857 116.414 114.554 0.005 0.000 2.708 206 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 206 T C 1.937 176.653 174.700 0.028 0.000 1.037 206 T CA 1.378 63.482 62.100 0.006 0.000 1.146 206 T CB -0.473 68.362 68.868 -0.055 0.000 0.865 206 T HN 0.210 nan 8.240 nan 0.000 0.435 207 V N 1.820 121.697 119.914 -0.061 0.000 2.295 207 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 207 V C 2.396 178.540 176.094 0.084 0.000 1.049 207 V CA 2.135 64.385 62.300 -0.085 0.000 1.024 207 V CB -0.712 30.916 31.823 -0.326 0.000 0.648 207 V HN 0.515 nan 8.190 nan 0.000 0.447 208 D N 0.145 120.615 120.400 0.118 0.000 2.087 208 D HA -0.172 4.468 4.640 -0.000 0.000 0.192 208 D C 1.991 178.499 176.300 0.348 0.000 0.993 208 D CA 1.902 56.112 54.000 0.350 0.000 0.828 208 D CB -0.173 40.843 40.800 0.360 0.000 0.968 208 D HN 0.185 nan 8.370 nan 0.000 0.448 209 V N -0.127 119.925 119.914 0.230 0.000 2.343 209 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 209 V C 2.149 178.358 176.094 0.193 0.000 1.051 209 V CA 1.874 64.282 62.300 0.179 0.000 1.036 209 V CB -0.939 30.961 31.823 0.128 0.000 0.654 209 V HN 0.345 nan 8.190 nan 0.000 0.451 210 Y N 0.724 121.080 120.300 0.093 0.000 2.097 210 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 210 Y C 2.204 178.191 175.900 0.146 0.000 1.152 210 Y CA 1.804 59.959 58.100 0.092 0.000 1.136 210 Y CB -0.349 38.139 38.460 0.047 0.000 0.975 210 Y HN 0.147 nan 8.280 nan 0.000 0.498 211 L N 0.041 121.345 121.223 0.136 0.000 2.083 211 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 211 L C 2.408 179.469 176.870 0.319 0.000 1.083 211 L CA 1.680 56.616 54.840 0.160 0.000 0.752 211 L CB -0.483 41.800 42.059 0.373 0.000 0.899 211 L HN 0.163 nan 8.230 nan 0.000 0.433 212 K N -0.380 120.186 120.400 0.277 0.000 2.155 212 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 212 K C 1.640 178.210 176.600 -0.050 0.000 1.052 212 K CA 1.083 57.419 56.287 0.081 0.000 0.948 212 K CB -0.031 32.491 32.500 0.037 0.000 0.728 212 K HN 0.218 nan 8.250 nan 0.000 0.448 213 D N 0.603 120.978 120.400 -0.041 0.000 2.149 213 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 213 D C 1.795 178.038 176.300 -0.094 0.000 0.972 213 D CA 0.994 54.938 54.000 -0.093 0.000 0.835 213 D CB -0.035 40.730 40.800 -0.058 0.000 0.966 213 D HN 0.171 nan 8.370 nan 0.000 0.476 214 A N 0.942 123.710 122.820 -0.086 0.000 1.858 214 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 214 A C 2.214 179.912 177.584 0.190 0.000 1.190 214 A CA 0.898 52.959 52.037 0.039 0.000 0.617 214 A CB -0.699 18.350 19.000 0.083 0.000 0.827 214 A HN 0.196 nan 8.150 nan 0.000 0.443 215 I N -0.127 120.518 120.570 0.125 0.000 2.361 215 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 215 I C 2.105 178.218 176.117 -0.005 0.000 1.133 215 I CA 1.615 62.880 61.300 -0.059 0.000 1.413 215 I CB -0.252 37.594 38.000 -0.256 0.000 1.073 215 I HN 0.254 nan 8.210 nan 0.000 0.424 216 K N -0.466 119.890 120.400 -0.073 0.000 2.148 216 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 216 K C 2.136 178.734 176.600 -0.004 0.000 1.050 216 K CA 1.642 57.885 56.287 -0.074 0.000 0.942 216 K CB -0.247 32.044 32.500 -0.349 0.000 0.724 216 K HN 0.424 nan 8.250 nan 0.000 0.446 217 M N -0.374 119.175 119.600 -0.084 0.000 2.086 217 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 217 M C 1.329 177.485 176.300 -0.241 0.000 1.067 217 M CA 1.812 56.991 55.300 -0.201 0.000 1.116 217 M CB -0.151 32.234 32.600 -0.358 0.000 1.348 217 M HN 0.188 nan 8.290 nan 0.000 0.407 218 W N 0.640 121.924 121.300 -0.025 0.000 2.388 218 W HA -0.080 4.580 4.660 0.000 0.000 0.294 218 W C 2.063 178.610 176.519 0.047 0.000 1.212 218 W CA 0.685 58.013 57.345 -0.030 0.000 1.271 218 W CB -0.502 28.906 29.460 -0.086 0.000 1.126 218 W HN 0.186 nan 8.180 nan 0.000 0.535 219 L N -0.030 121.331 121.223 0.230 0.000 2.083 219 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 219 L C 1.884 178.858 176.870 0.173 0.000 1.083 219 L CA 1.208 56.168 54.840 0.200 0.000 0.752 219 L CB -0.742 41.446 42.059 0.216 0.000 0.899 219 L HN -0.074 nan 8.230 nan 0.000 0.433 220 D N 0.004 120.498 120.400 0.157 0.000 2.264 220 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 220 D C 2.190 178.547 176.300 0.095 0.000 0.966 220 D CA 0.979 55.047 54.000 0.114 0.000 0.864 220 D CB 0.024 40.880 40.800 0.092 0.000 0.933 220 D HN 0.315 nan 8.370 nan 0.000 0.499 221 L N -0.564 120.730 121.223 0.119 0.000 2.610 221 L HA 0.107 4.447 4.340 -0.000 0.000 0.232 221 L C 1.418 178.422 176.870 0.223 0.000 1.149 221 L CA 0.488 55.434 54.840 0.177 0.000 0.872 221 L CB -0.026 42.183 42.059 0.250 0.000 0.992 221 L HN 0.130 nan 8.230 nan 0.000 0.447 222 G N 0.885 109.809 108.800 0.207 0.000 2.134 222 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.209 222 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.209 222 G C 0.421 175.473 174.900 0.254 0.000 0.993 222 G CA 0.085 45.310 45.100 0.209 0.000 0.669 222 G HN 0.410 nan 8.290 nan 0.000 0.519 223 I N -2.290 118.454 120.570 0.289 0.000 2.948 223 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 223 I C 0.571 176.856 176.117 0.280 0.000 1.226 223 I CA 0.246 61.719 61.300 0.290 0.000 1.413 223 I CB 0.536 38.725 38.000 0.315 0.000 1.352 223 I HN -0.072 nan 8.210 nan 0.000 0.597 224 D N 3.242 123.839 120.400 0.329 0.000 2.407 224 D HA 0.279 4.919 4.640 -0.000 0.000 0.208 224 D C 0.605 177.197 176.300 0.486 0.000 1.083 224 D CA 0.365 54.603 54.000 0.397 0.000 0.844 224 D CB 1.244 42.310 40.800 0.444 0.000 0.967 224 D HN 0.859 nan 8.370 nan 0.000 0.506 225 G N 0.310 109.316 108.800 0.342 0.000 2.576 225 G HA2 0.568 4.528 3.960 -0.000 0.000 0.290 225 G HA3 0.568 4.528 3.960 -0.000 0.000 0.290 225 G C -1.801 173.153 174.900 0.091 0.000 1.442 225 G CA -0.688 44.541 45.100 0.215 0.000 0.792 225 G HN -0.004 nan 8.290 nan 0.000 0.491 226 I N 0.058 120.601 120.570 -0.044 0.000 2.569 226 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 226 I C -0.145 175.668 176.117 -0.506 0.000 1.088 226 I CA -0.785 60.415 61.300 -0.167 0.000 1.047 226 I CB 2.662 40.603 38.000 -0.098 0.000 1.237 226 I HN 0.473 nan 8.210 nan 0.000 0.421 227 R N 6.971 127.113 120.500 -0.598 0.000 2.247 227 R HA 0.471 4.811 4.340 -0.000 0.000 0.329 227 R C -0.934 175.079 176.300 -0.478 0.000 1.014 227 R CA -0.616 54.868 56.100 -1.026 0.000 0.907 227 R CB 0.685 30.330 30.300 -1.091 0.000 1.146 227 R HN 0.505 nan 8.270 nan 0.000 0.499 228 M N 3.533 122.919 119.600 -0.356 0.000 2.194 228 M HA 0.143 4.623 4.480 -0.000 0.000 0.347 228 M C -0.459 175.809 176.300 -0.054 0.000 1.439 228 M CA 0.339 55.583 55.300 -0.093 0.000 1.131 228 M CB 0.821 33.413 32.600 -0.014 0.000 1.733 228 M HN 0.554 nan 8.290 nan 0.000 0.467 229 D N 2.528 122.933 120.400 0.008 0.000 2.225 229 D HA 0.397 5.037 4.640 -0.000 0.000 0.249 229 D C 0.393 176.737 176.300 0.074 0.000 1.052 229 D CA 0.126 54.162 54.000 0.061 0.000 0.909 229 D CB 1.383 42.272 40.800 0.148 0.000 1.186 229 D HN 0.746 nan 8.370 nan 0.000 0.431 230 A N 1.210 124.087 122.820 0.094 0.000 2.687 230 A HA -0.207 4.113 4.320 -0.000 0.000 0.299 230 A C 1.381 179.017 177.584 0.086 0.000 1.497 230 A CA 0.899 53.016 52.037 0.133 0.000 0.751 230 A CB -2.191 16.900 19.000 0.150 0.000 1.048 230 A HN 0.570 nan 8.150 nan 0.000 0.464 231 V N -2.096 117.830 119.914 0.021 0.000 2.970 231 V HA -0.073 4.047 4.120 -0.000 0.000 0.260 231 V C 1.839 177.782 176.094 -0.253 0.000 1.100 231 V CA 2.388 64.663 62.300 -0.041 0.000 1.122 231 V CB -0.567 31.253 31.823 -0.004 0.000 0.721 231 V HN 0.666 nan 8.190 nan 0.000 0.483 232 K N -0.659 119.424 120.400 -0.528 0.000 2.486 232 K HA -0.055 4.265 4.320 -0.000 0.000 0.194 232 K C 1.368 177.494 176.600 -0.789 0.000 1.033 232 K CA 0.777 56.450 56.287 -1.023 0.000 1.004 232 K CB -0.108 31.357 32.500 -1.725 0.000 0.798 232 K HN 0.693 nan 8.250 nan 0.000 0.495 233 H N -0.747 118.182 119.070 -0.234 0.000 2.592 233 H HA 0.235 4.791 4.556 -0.000 0.000 0.279 233 H C -0.145 175.069 175.328 -0.189 0.000 1.089 233 H CA 0.013 55.933 56.048 -0.213 0.000 1.150 233 H CB 0.358 30.026 29.762 -0.156 0.000 1.575 233 H HN 0.125 nan 8.280 nan 0.000 0.547 234 M N 0.802 120.355 119.600 -0.078 0.000 2.602 234 M HA 0.361 4.841 4.480 -0.000 0.000 0.312 234 M C -2.620 173.623 176.300 -0.095 0.000 1.181 234 M CA -1.949 53.298 55.300 -0.088 0.000 0.910 234 M CB 2.621 35.201 32.600 -0.034 0.000 1.723 234 M HN -0.229 nan 8.290 nan 0.000 0.459 235 P HA -0.002 nan 4.420 nan 0.000 0.263 235 P C -0.109 177.331 177.300 0.234 0.000 1.195 235 P CA 0.104 63.167 63.100 -0.061 0.000 0.762 235 P CB 0.145 31.910 31.700 0.109 0.000 0.799 236 F N 2.434 122.514 119.950 0.217 0.000 2.171 236 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 236 F C 2.458 178.405 175.800 0.246 0.000 1.090 236 F CA 1.581 59.808 58.000 0.378 0.000 1.293 236 F CB -2.074 37.217 39.000 0.485 0.000 1.013 236 F HN 0.358 nan 8.300 nan 0.000 0.486 237 G N -1.226 107.772 108.800 0.330 0.000 2.418 237 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 237 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 237 G C 1.579 176.613 174.900 0.223 0.000 1.158 237 G CA 0.610 45.856 45.100 0.243 0.000 0.771 237 G HN 0.480 nan 8.290 nan 0.000 0.545 238 W N 1.377 122.752 121.300 0.125 0.000 2.358 238 W HA -0.061 4.599 4.660 -0.000 0.000 0.303 238 W C 2.752 179.350 176.519 0.132 0.000 1.208 238 W CA 1.633 59.045 57.345 0.112 0.000 1.274 238 W CB -0.088 29.401 29.460 0.047 0.000 1.138 238 W HN 0.282 nan 8.180 nan 0.000 0.515 239 Q N 0.220 120.077 119.800 0.095 0.000 2.124 239 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 239 Q C 2.193 178.142 176.000 -0.085 0.000 0.977 239 Q CA 1.831 57.601 55.803 -0.053 0.000 0.850 239 Q CB -0.452 28.471 28.738 0.308 0.000 0.901 239 Q HN 0.372 nan 8.270 nan 0.000 0.429 240 K N 0.839 121.222 120.400 -0.028 0.000 2.057 240 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 240 K C 2.253 178.791 176.600 -0.104 0.000 1.049 240 K CA 1.591 57.841 56.287 -0.063 0.000 0.931 240 K CB -0.055 32.435 32.500 -0.017 0.000 0.714 240 K HN 0.184 nan 8.250 nan 0.000 0.440 241 S N -0.163 115.447 115.700 -0.149 0.000 2.423 241 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 241 S C 1.852 176.294 174.600 -0.263 0.000 1.014 241 S CA 0.583 58.679 58.200 -0.173 0.000 0.965 241 S CB -0.545 62.570 63.200 -0.141 0.000 0.785 241 S HN 0.436 nan 8.310 nan 0.000 0.495 242 F N 2.069 121.662 119.950 -0.595 0.000 2.128 242 F HA 0.109 4.636 4.527 0.000 0.000 0.295 242 F C 2.278 177.906 175.800 -0.288 0.000 1.100 242 F CA 1.301 58.959 58.000 -0.569 0.000 1.260 242 F CB -0.243 38.224 39.000 -0.889 0.000 1.009 242 F HN 0.094 nan 8.300 nan 0.000 0.476 243 M N 0.397 119.955 119.600 -0.071 0.000 2.279 243 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 243 M C 2.428 178.643 176.300 -0.142 0.000 1.062 243 M CA 1.386 56.635 55.300 -0.085 0.000 1.099 243 M CB -1.995 30.584 32.600 -0.035 0.000 1.394 243 M HN 0.330 nan 8.290 nan 0.000 0.426 244 A N -0.001 122.733 122.820 -0.143 0.000 1.898 244 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 244 A C 2.437 179.944 177.584 -0.129 0.000 1.181 244 A CA 1.800 53.770 52.037 -0.112 0.000 0.620 244 A CB -0.808 18.139 19.000 -0.088 0.000 0.819 244 A HN 0.445 nan 8.150 nan 0.000 0.442 245 A N -0.474 122.220 122.820 -0.209 0.000 1.902 245 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 245 A C 2.243 179.708 177.584 -0.198 0.000 1.181 245 A CA 1.833 53.737 52.037 -0.222 0.000 0.623 245 A CB -0.917 17.884 19.000 -0.332 0.000 0.818 245 A HN 0.352 nan 8.150 nan 0.000 0.443 246 V N 0.948 120.686 119.914 -0.293 0.000 2.237 246 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 246 V C 2.264 178.336 176.094 -0.036 0.000 1.046 246 V CA 2.219 64.411 62.300 -0.180 0.000 1.007 246 V CB -0.981 30.699 31.823 -0.238 0.000 0.638 246 V HN 0.559 nan 8.190 nan 0.000 0.445 247 N N 0.844 119.517 118.700 -0.047 0.000 2.223 247 N HA -0.109 4.631 4.740 -0.000 0.000 0.185 247 N C 1.408 176.929 175.510 0.018 0.000 1.016 247 N CA 1.055 54.105 53.050 -0.000 0.000 0.863 247 N CB -0.547 37.937 38.487 -0.005 0.000 0.983 247 N HN 0.448 nan 8.380 nan 0.000 0.429 248 N N -0.399 118.309 118.700 0.014 0.000 2.461 248 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 248 N C 0.630 176.200 175.510 0.100 0.000 1.134 248 N CA 0.183 53.254 53.050 0.035 0.000 0.878 248 N CB 0.207 38.702 38.487 0.013 0.000 0.972 248 N HN 0.377 nan 8.380 nan 0.000 0.456 249 Y N 0.710 120.979 120.300 -0.053 0.000 3.127 249 Y HA 0.349 4.899 4.550 -0.000 0.000 0.196 249 Y C -0.459 175.426 175.900 -0.025 0.000 0.920 249 Y CA 0.426 58.498 58.100 -0.045 0.000 1.664 249 Y CB 0.597 39.016 38.460 -0.070 0.000 1.399 249 Y HN -0.329 nan 8.280 nan 0.000 0.435 250 K N 2.791 123.102 120.400 -0.147 0.000 2.675 250 K HA 0.317 4.637 4.320 -0.000 0.000 0.224 250 K C -2.894 173.694 176.600 -0.020 0.000 1.003 250 K CA -2.107 54.063 56.287 -0.195 0.000 1.034 250 K CB 1.695 34.009 32.500 -0.309 0.000 1.218 250 K HN 0.102 nan 8.250 nan 0.000 0.507 251 P HA 0.008 nan 4.420 nan 0.000 0.267 251 P C -0.372 176.989 177.300 0.101 0.000 1.205 251 P CA -0.228 62.906 63.100 0.056 0.000 0.765 251 P CB 1.035 32.778 31.700 0.072 0.000 0.828 252 V N 1.292 121.283 119.914 0.128 0.000 2.971 252 V HA 0.476 4.596 4.120 -0.000 0.000 0.309 252 V C -0.428 175.813 176.094 0.244 0.000 1.130 252 V CA -1.452 60.973 62.300 0.209 0.000 0.964 252 V CB 1.673 33.611 31.823 0.191 0.000 1.029 252 V HN 0.337 nan 8.190 nan 0.000 0.427 253 F N 2.981 123.045 119.950 0.189 0.000 2.593 253 F HA 0.479 5.006 4.527 -0.000 0.000 0.393 253 F C 0.444 176.298 175.800 0.090 0.000 1.037 253 F CA 1.193 59.276 58.000 0.138 0.000 1.195 253 F CB 0.071 39.103 39.000 0.053 0.000 1.034 253 F HN 0.810 nan 8.300 nan 0.000 0.552 254 T N 8.080 122.373 114.554 -0.435 0.000 2.886 254 T HA 0.633 4.983 4.350 -0.000 0.000 0.292 254 T C -1.207 173.268 174.700 -0.375 0.000 1.012 254 T CA -0.324 61.569 62.100 -0.345 0.000 0.982 254 T CB 1.135 69.927 68.868 -0.126 0.000 1.018 254 T HN 0.424 nan 8.240 nan 0.000 0.451 255 F N -0.571 119.131 119.950 -0.414 0.000 2.601 255 F HA 0.888 5.415 4.527 -0.000 0.000 0.309 255 F C -0.113 175.660 175.800 -0.046 0.000 1.089 255 F CA -1.422 56.434 58.000 -0.239 0.000 0.940 255 F CB 0.960 39.794 39.000 -0.276 0.000 1.273 255 F HN 0.724 nan 8.300 nan 0.000 0.450 256 G N 0.317 109.225 108.800 0.179 0.000 2.489 256 G HA2 0.502 4.462 3.960 -0.000 0.000 0.327 256 G HA3 0.502 4.462 3.960 -0.000 0.000 0.327 256 G C -1.742 173.314 174.900 0.260 0.000 1.189 256 G CA -0.862 44.331 45.100 0.155 0.000 0.962 256 G HN 0.849 nan 8.290 nan 0.000 0.486 257 E N 0.580 120.902 120.200 0.203 0.000 2.001 257 E HA 0.254 4.604 4.350 -0.000 0.000 0.279 257 E C -1.191 175.597 176.600 0.313 0.000 1.045 257 E CA -0.758 55.826 56.400 0.306 0.000 0.833 257 E CB 0.435 30.264 29.700 0.215 0.000 1.077 257 E HN 0.408 nan 8.360 nan 0.000 0.397 258 W N 8.374 129.761 121.300 0.145 0.000 2.466 258 W HA 0.272 4.932 4.660 -0.000 0.000 0.303 258 W C -1.622 174.733 176.519 -0.273 0.000 0.999 258 W CA -1.824 55.502 57.345 -0.031 0.000 1.437 258 W CB 0.147 29.574 29.460 -0.055 0.000 1.274 258 W HN 0.472 nan 8.180 nan 0.000 0.417 259 F N 6.010 125.742 119.950 -0.364 0.000 2.572 259 F HA 0.308 4.835 4.527 -0.000 0.000 0.370 259 F C -0.610 174.989 175.800 -0.336 0.000 1.103 259 F CA 0.760 58.185 58.000 -0.958 0.000 1.286 259 F CB 0.621 39.270 39.000 -0.586 0.000 1.105 259 F HN 0.174 nan 8.300 nan 0.000 0.583 260 L N 6.041 126.529 121.223 -1.226 0.000 2.386 260 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 260 L C 0.473 176.804 176.870 -0.898 0.000 0.993 260 L CA -0.902 53.616 54.840 -0.537 0.000 0.819 260 L CB 1.703 43.708 42.059 -0.089 0.000 1.294 260 L HN 0.799 nan 8.230 nan 0.000 0.414 261 G N 1.429 110.035 108.800 -0.323 0.000 2.557 261 G HA2 0.451 4.411 3.960 -0.000 0.000 0.292 261 G HA3 0.451 4.411 3.960 -0.000 0.000 0.292 261 G C -0.183 174.712 174.900 -0.009 0.000 1.237 261 G CA -0.557 44.507 45.100 -0.061 0.000 0.978 261 G HN 0.285 nan 8.290 nan 0.000 0.498 262 V N 1.814 121.765 119.914 0.061 0.000 2.617 262 V HA -0.003 4.117 4.120 -0.000 0.000 0.304 262 V C 0.886 177.004 176.094 0.039 0.000 1.040 262 V CA 0.424 62.752 62.300 0.048 0.000 1.149 262 V CB 0.659 32.514 31.823 0.054 0.000 0.914 262 V HN 0.928 nan 8.190 nan 0.000 0.487 263 N N 1.496 120.215 118.700 0.031 0.000 2.863 263 N HA -0.194 4.546 4.740 -0.000 0.000 0.245 263 N C 0.386 175.918 175.510 0.036 0.000 1.001 263 N CA 1.448 54.517 53.050 0.031 0.000 0.901 263 N CB -0.603 37.900 38.487 0.027 0.000 1.124 263 N HN 0.947 nan 8.380 nan 0.000 0.582 264 E N 1.031 121.253 120.200 0.036 0.000 2.194 264 E HA 0.360 4.710 4.350 -0.000 0.000 0.284 264 E C -0.787 175.836 176.600 0.037 0.000 1.035 264 E CA -0.305 56.117 56.400 0.037 0.000 0.836 264 E CB 0.889 30.612 29.700 0.037 0.000 1.070 264 E HN -0.024 nan 8.360 nan 0.000 0.401 265 V N 4.103 124.033 119.914 0.026 0.000 2.376 265 V HA 0.199 4.319 4.120 -0.000 0.000 0.287 265 V C -0.228 175.808 176.094 -0.097 0.000 1.015 265 V CA -0.621 61.686 62.300 0.011 0.000 0.834 265 V CB 1.481 33.342 31.823 0.062 0.000 1.001 265 V HN 0.581 nan 8.190 nan 0.000 0.428 266 S N 6.442 121.981 115.700 -0.267 0.000 2.474 266 S HA 0.499 4.969 4.470 -0.000 0.000 0.321 266 S C -1.727 172.465 174.600 -0.680 0.000 1.080 266 S CA -1.511 56.496 58.200 -0.322 0.000 1.106 266 S CB 1.860 64.970 63.200 -0.151 0.000 0.984 266 S HN 0.485 nan 8.310 nan 0.000 0.464 267 P HA -0.069 nan 4.420 nan 0.000 0.218 267 P C 1.132 178.316 177.300 -0.193 0.000 1.149 267 P CA 0.943 63.874 63.100 -0.281 0.000 0.817 267 P CB 0.218 31.884 31.700 -0.056 0.000 0.785 268 E N -0.719 119.424 120.200 -0.095 0.000 2.077 268 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 268 E C 1.965 178.403 176.600 -0.269 0.000 0.989 268 E CA 1.146 57.565 56.400 0.033 0.000 0.800 268 E CB -0.507 29.387 29.700 0.324 0.000 0.746 268 E HN 0.246 nan 8.360 nan 0.000 0.452 269 N N 0.079 118.392 118.700 -0.644 0.000 2.043 269 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 269 N C 1.685 176.937 175.510 -0.430 0.000 1.037 269 N CA 1.693 54.038 53.050 -1.175 0.000 0.851 269 N CB -0.081 37.787 38.487 -1.031 0.000 1.027 269 N HN 0.269 nan 8.380 nan 0.000 0.422 270 H N -0.547 118.341 119.070 -0.303 0.000 2.319 270 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 270 H C 2.064 177.326 175.328 -0.110 0.000 1.092 270 H CA 1.309 57.192 56.048 -0.275 0.000 1.302 270 H CB -0.040 29.497 29.762 -0.374 0.000 1.373 270 H HN 0.242 nan 8.280 nan 0.000 0.497 271 K N 0.665 121.086 120.400 0.035 0.000 2.057 271 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 271 K C 2.004 178.624 176.600 0.035 0.000 1.049 271 K CA 1.320 57.633 56.287 0.044 0.000 0.931 271 K CB -0.179 32.362 32.500 0.069 0.000 0.714 271 K HN 0.150 nan 8.250 nan 0.000 0.440 272 F N 1.113 120.966 119.950 -0.161 0.000 2.069 272 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 272 F C 2.051 177.817 175.800 -0.057 0.000 1.113 272 F CA 1.769 59.661 58.000 -0.180 0.000 1.214 272 F CB -0.502 38.296 39.000 -0.335 0.000 0.978 272 F HN 0.107 nan 8.300 nan 0.000 0.474 273 A N 0.115 123.021 122.820 0.143 0.000 1.972 273 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 273 A C 1.899 179.517 177.584 0.057 0.000 1.169 273 A CA 1.879 54.002 52.037 0.142 0.000 0.635 273 A CB -0.774 18.424 19.000 0.331 0.000 0.810 273 A HN 0.518 nan 8.150 nan 0.000 0.446 274 N N -0.404 118.328 118.700 0.053 0.000 2.416 274 N HA -0.018 4.722 4.740 -0.000 0.000 0.177 274 N C 1.007 176.498 175.510 -0.032 0.000 1.036 274 N CA 1.183 54.248 53.050 0.026 0.000 0.901 274 N CB 0.020 38.526 38.487 0.030 0.000 0.976 274 N HN 0.706 nan 8.380 nan 0.000 0.444 275 E N -1.078 119.070 120.200 -0.086 0.000 2.606 275 E HA 0.099 4.449 4.350 -0.000 0.000 0.224 275 E C 1.094 177.589 176.600 -0.176 0.000 0.930 275 E CA -0.015 56.326 56.400 -0.099 0.000 1.125 275 E CB 0.467 30.141 29.700 -0.043 0.000 1.123 275 E HN 0.208 nan 8.360 nan 0.000 0.522 276 S N -0.287 115.203 115.700 -0.349 0.000 2.436 276 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 276 S C 1.755 176.186 174.600 -0.281 0.000 1.014 276 S CA 0.840 58.757 58.200 -0.472 0.000 0.950 276 S CB 0.293 62.755 63.200 -1.230 0.000 0.784 276 S HN 0.316 nan 8.310 nan 0.000 0.504 277 G N 1.140 109.814 108.800 -0.209 0.000 2.184 277 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.206 277 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.206 277 G C -0.116 174.730 174.900 -0.090 0.000 0.995 277 G CA 0.066 45.091 45.100 -0.125 0.000 0.651 277 G HN 0.953 nan 8.290 nan 0.000 0.511 278 M N -0.184 119.345 119.600 -0.119 0.000 2.593 278 M HA 0.839 5.319 4.480 -0.000 0.000 0.290 278 M C 0.260 176.555 176.300 -0.008 0.000 1.244 278 M CA -0.276 54.991 55.300 -0.055 0.000 0.857 278 M CB 1.930 34.528 32.600 -0.004 0.000 1.738 278 M HN 0.540 nan 8.290 nan 0.000 0.461 279 S N 1.348 117.062 115.700 0.024 0.000 2.647 279 S HA 0.895 5.365 4.470 -0.000 0.000 0.284 279 S C -0.408 174.311 174.600 0.197 0.000 1.134 279 S CA -0.838 57.417 58.200 0.092 0.000 1.027 279 S CB 0.974 64.225 63.200 0.084 0.000 1.180 279 S HN 0.757 nan 8.310 nan 0.000 0.521 280 L N -0.323 121.009 121.223 0.183 0.000 2.359 280 L HA 0.495 4.834 4.340 -0.000 0.000 0.256 280 L C -0.958 176.075 176.870 0.272 0.000 1.026 280 L CA -1.009 54.000 54.840 0.283 0.000 0.828 280 L CB 1.675 43.894 42.059 0.267 0.000 1.406 280 L HN 0.559 nan 8.230 nan 0.000 0.413 281 L N 1.403 122.879 121.223 0.421 0.000 2.455 281 L HA 0.053 4.393 4.340 -0.000 0.000 0.272 281 L C 0.156 177.291 176.870 0.441 0.000 1.174 281 L CA 0.108 55.197 54.840 0.415 0.000 0.869 281 L CB 0.245 42.549 42.059 0.409 0.000 1.130 281 L HN 0.514 nan 8.230 nan 0.000 0.474 282 D N 3.188 123.781 120.400 0.322 0.000 2.551 282 D HA 0.021 4.661 4.640 -0.000 0.000 0.223 282 D C 0.911 177.293 176.300 0.137 0.000 1.144 282 D CA 0.118 54.214 54.000 0.161 0.000 1.025 282 D CB 0.165 40.933 40.800 -0.053 0.000 1.085 282 D HN 0.286 nan 8.370 nan 0.000 0.506 283 F N 0.940 121.037 119.950 0.247 0.000 2.234 283 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 283 F C 2.535 178.349 175.800 0.023 0.000 1.087 283 F CA 0.686 58.758 58.000 0.121 0.000 1.340 283 F CB -0.033 39.020 39.000 0.088 0.000 1.031 283 F HN 0.255 nan 8.300 nan 0.000 0.500 284 R N -0.382 120.279 120.500 0.268 0.000 2.081 284 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 284 R C 2.283 178.683 176.300 0.167 0.000 1.131 284 R CA 1.701 57.925 56.100 0.208 0.000 0.960 284 R CB -0.629 29.841 30.300 0.284 0.000 0.856 284 R HN 0.310 nan 8.270 nan 0.000 0.436 285 F N 0.819 120.771 119.950 0.003 0.000 2.084 285 F HA -0.032 4.495 4.527 -0.000 0.000 0.296 285 F C 2.138 177.872 175.800 -0.111 0.000 1.111 285 F CA 1.471 59.453 58.000 -0.029 0.000 1.224 285 F CB -0.569 38.395 39.000 -0.061 0.000 0.991 285 F HN 0.096 nan 8.300 nan 0.000 0.471 286 A N 0.267 123.067 122.820 -0.033 0.000 1.883 286 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 286 A C 2.150 179.665 177.584 -0.114 0.000 1.186 286 A CA 1.815 53.671 52.037 -0.301 0.000 0.624 286 A CB -0.899 17.404 19.000 -1.162 0.000 0.822 286 A HN 0.535 nan 8.150 nan 0.000 0.444 287 Q N -0.612 119.157 119.800 -0.052 0.000 2.124 287 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 287 Q C 2.068 178.067 176.000 -0.003 0.000 0.977 287 Q CA 1.841 57.653 55.803 0.015 0.000 0.850 287 Q CB -0.344 28.419 28.738 0.041 0.000 0.901 287 Q HN 0.624 nan 8.270 nan 0.000 0.429 288 K N 0.738 121.115 120.400 -0.038 0.000 2.057 288 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 288 K C 1.982 178.528 176.600 -0.090 0.000 1.050 288 K CA 0.738 56.983 56.287 -0.070 0.000 0.935 288 K CB -0.389 32.056 32.500 -0.093 0.000 0.715 288 K HN -0.022 nan 8.250 nan 0.000 0.439 289 V N 1.167 121.018 119.914 -0.104 0.000 2.407 289 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 289 V C 2.319 178.563 176.094 0.250 0.000 1.055 289 V CA 2.086 64.412 62.300 0.045 0.000 1.049 289 V CB -0.427 31.390 31.823 -0.010 0.000 0.662 289 V HN 0.318 nan 8.190 nan 0.000 0.455 290 R N -0.594 120.015 120.500 0.182 0.000 2.075 290 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 290 R C 2.419 178.737 176.300 0.031 0.000 1.126 290 R CA 1.374 57.562 56.100 0.148 0.000 0.963 290 R CB -0.315 30.031 30.300 0.077 0.000 0.858 290 R HN 0.591 nan 8.270 nan 0.000 0.435 291 Q N 0.035 119.835 119.800 0.001 0.000 2.084 291 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 291 Q C 2.147 178.097 176.000 -0.082 0.000 0.978 291 Q CA 1.608 57.387 55.803 -0.040 0.000 0.844 291 Q CB 0.074 28.786 28.738 -0.043 0.000 0.898 291 Q HN 0.195 nan 8.270 nan 0.000 0.426 292 V N -0.697 119.135 119.914 -0.137 0.000 2.446 292 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 292 V C 1.432 177.293 176.094 -0.389 0.000 1.039 292 V CA 1.478 63.580 62.300 -0.331 0.000 1.045 292 V CB -0.264 31.215 31.823 -0.574 0.000 0.681 292 V HN 0.240 nan 8.190 nan 0.000 0.459 293 F N -0.697 119.255 119.950 0.003 0.000 2.678 293 F HA 0.270 4.797 4.527 -0.000 0.000 0.291 293 F C 2.312 178.189 175.800 0.129 0.000 1.123 293 F CA 0.566 58.632 58.000 0.109 0.000 1.395 293 F CB 0.061 39.195 39.000 0.224 0.000 1.121 293 F HN -0.089 nan 8.300 nan 0.000 0.592 294 R N 0.070 120.638 120.500 0.113 0.000 2.098 294 R HA 0.052 4.392 4.340 -0.000 0.000 0.203 294 R C 0.859 177.076 176.300 -0.139 0.000 1.166 294 R CA 0.890 56.862 56.100 -0.214 0.000 1.090 294 R CB 0.102 29.942 30.300 -0.767 0.000 0.992 294 R HN 0.004 nan 8.270 nan 0.000 0.477 295 D N 0.322 120.657 120.400 -0.108 0.000 2.360 295 D HA -0.016 4.624 4.640 -0.000 0.000 0.210 295 D C -0.259 176.009 176.300 -0.053 0.000 1.047 295 D CA 0.157 54.110 54.000 -0.078 0.000 0.854 295 D CB 0.006 40.766 40.800 -0.067 0.000 0.936 295 D HN 0.203 nan 8.370 nan 0.000 0.514 296 N N 0.940 119.607 118.700 -0.055 0.000 2.725 296 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 296 N C 0.264 175.746 175.510 -0.047 0.000 1.031 296 N CA 1.151 54.168 53.050 -0.055 0.000 0.720 296 N CB -1.400 37.064 38.487 -0.039 0.000 0.930 296 N HN 0.241 nan 8.380 nan 0.000 0.543 297 T N -4.280 110.244 114.554 -0.049 0.000 3.044 297 T HA 0.316 4.666 4.350 -0.000 0.000 0.260 297 T C 0.057 174.735 174.700 -0.037 0.000 1.019 297 T CA -0.023 62.056 62.100 -0.035 0.000 0.921 297 T CB 0.659 69.512 68.868 -0.025 0.000 1.053 297 T HN 0.274 nan 8.240 nan 0.000 0.533 298 D N 0.887 121.253 120.400 -0.058 0.000 2.653 298 D HA 0.359 4.999 4.640 -0.000 0.000 0.258 298 D C -1.413 174.831 176.300 -0.093 0.000 1.252 298 D CA -0.499 53.467 54.000 -0.056 0.000 0.777 298 D CB 1.882 42.648 40.800 -0.056 0.000 1.339 298 D HN 0.276 nan 8.370 nan 0.000 0.422 299 N N -0.002 118.658 118.700 -0.066 0.000 2.879 299 N HA 0.280 5.019 4.740 -0.000 0.000 0.329 299 N C 1.008 176.416 175.510 -0.171 0.000 1.337 299 N CA -0.489 52.498 53.050 -0.105 0.000 0.844 299 N CB 0.214 38.701 38.487 0.000 0.000 1.236 299 N HN 0.184 nan 8.380 nan 0.000 0.601 300 M N -0.935 118.514 119.600 -0.251 0.000 2.279 300 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 300 M C 1.116 177.243 176.300 -0.288 0.000 1.062 300 M CA 1.396 56.503 55.300 -0.322 0.000 1.099 300 M CB -1.348 31.043 32.600 -0.348 0.000 1.394 300 M HN 0.510 nan 8.290 nan 0.000 0.426 301 Y N 0.056 120.315 120.300 -0.067 0.000 2.224 301 Y HA -0.068 4.482 4.550 -0.000 0.000 0.289 301 Y C 2.619 178.490 175.900 -0.049 0.000 1.146 301 Y CA 1.465 59.538 58.100 -0.046 0.000 1.182 301 Y CB -1.275 37.159 38.460 -0.042 0.000 0.983 301 Y HN 0.301 nan 8.280 nan 0.000 0.524 302 G N -0.644 108.192 108.800 0.061 0.000 2.421 302 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 302 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 302 G C 1.616 176.493 174.900 -0.038 0.000 1.143 302 G CA 0.693 45.798 45.100 0.009 0.000 0.784 302 G HN 0.313 nan 8.290 nan 0.000 0.541 303 L N 0.840 121.999 121.223 -0.106 0.000 2.027 303 L HA 0.107 4.447 4.340 -0.000 0.000 0.206 303 L C 2.699 179.537 176.870 -0.052 0.000 1.074 303 L CA 2.336 57.090 54.840 -0.144 0.000 0.745 303 L CB -0.475 41.414 42.059 -0.283 0.000 0.898 303 L HN 0.256 nan 8.230 nan 0.000 0.433 304 K N -0.646 119.734 120.400 -0.033 0.000 2.057 304 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 304 K C 1.965 178.591 176.600 0.045 0.000 1.049 304 K CA 1.441 57.741 56.287 0.022 0.000 0.931 304 K CB -0.269 32.248 32.500 0.029 0.000 0.714 304 K HN 0.399 nan 8.250 nan 0.000 0.440 305 A N 1.755 124.603 122.820 0.046 0.000 1.940 305 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 305 A C 2.165 179.778 177.584 0.048 0.000 1.176 305 A CA 1.665 53.731 52.037 0.050 0.000 0.631 305 A CB -0.599 18.430 19.000 0.048 0.000 0.814 305 A HN 0.510 nan 8.150 nan 0.000 0.446 306 M N -0.213 119.413 119.600 0.042 0.000 2.132 306 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 306 M C 1.951 178.309 176.300 0.097 0.000 1.065 306 M CA 1.688 57.026 55.300 0.063 0.000 1.122 306 M CB -0.853 31.767 32.600 0.034 0.000 1.365 306 M HN 0.424 nan 8.290 nan 0.000 0.411 307 L N 0.088 121.365 121.223 0.090 0.000 2.017 307 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 307 L C 2.361 179.286 176.870 0.092 0.000 1.073 307 L CA 1.473 56.380 54.840 0.111 0.000 0.745 307 L CB -0.659 41.453 42.059 0.088 0.000 0.894 307 L HN 0.351 nan 8.230 nan 0.000 0.432 308 E N -0.147 120.096 120.200 0.071 0.000 2.072 308 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 308 E C 2.235 178.861 176.600 0.042 0.000 0.982 308 E CA 1.020 57.455 56.400 0.058 0.000 0.803 308 E CB -0.306 29.425 29.700 0.052 0.000 0.755 308 E HN 0.548 nan 8.360 nan 0.000 0.453 309 G N 1.601 110.424 108.800 0.039 0.000 2.404 309 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.215 309 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.215 309 G C 1.802 176.690 174.900 -0.020 0.000 1.174 309 G CA 1.226 46.331 45.100 0.009 0.000 0.780 309 G HN 0.380 nan 8.290 nan 0.000 0.537 310 S N 1.204 116.936 115.700 0.055 0.000 2.402 310 S HA 0.155 4.625 4.470 -0.000 0.000 0.229 310 S C 2.553 177.237 174.600 0.140 0.000 1.021 310 S CA 1.413 59.691 58.200 0.131 0.000 0.974 310 S CB -0.419 62.959 63.200 0.296 0.000 0.800 310 S HN 0.576 nan 8.310 nan 0.000 0.484 311 A N 1.398 124.276 122.820 0.097 0.000 2.067 311 A HA 0.443 4.763 4.320 -0.000 0.000 0.219 311 A C 2.340 179.942 177.584 0.030 0.000 1.158 311 A CA 1.420 53.504 52.037 0.080 0.000 0.661 311 A CB -0.993 18.049 19.000 0.071 0.000 0.801 311 A HN 0.840 nan 8.150 nan 0.000 0.452 312 A N -0.684 122.127 122.820 -0.015 0.000 1.997 312 A HA 0.075 4.395 4.320 -0.000 0.000 0.212 312 A C 1.619 179.126 177.584 -0.129 0.000 1.178 312 A CA 1.177 53.183 52.037 -0.052 0.000 0.698 312 A CB -0.097 18.878 19.000 -0.042 0.000 0.842 312 A HN 0.356 nan 8.150 nan 0.000 0.458 313 D N -1.223 119.021 120.400 -0.259 0.000 2.194 313 D HA 0.027 4.667 4.640 -0.000 0.000 0.204 313 D C -0.414 175.537 176.300 -0.581 0.000 0.964 313 D CA 0.872 54.538 54.000 -0.558 0.000 0.846 313 D CB -0.117 39.994 40.800 -1.147 0.000 0.962 313 D HN 0.451 nan 8.370 nan 0.000 0.490 314 Y N 0.265 120.442 120.300 -0.205 0.000 2.341 314 Y HA 0.429 4.979 4.550 -0.000 0.000 0.340 314 Y C 1.243 177.102 175.900 -0.068 0.000 0.997 314 Y CA -0.829 57.208 58.100 -0.105 0.000 1.149 314 Y CB 1.546 39.974 38.460 -0.054 0.000 1.171 314 Y HN -0.172 nan 8.280 nan 0.000 0.494 315 A N 2.831 125.701 122.820 0.084 0.000 1.940 315 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 315 A C 0.758 178.339 177.584 -0.005 0.000 1.176 315 A CA 1.356 53.401 52.037 0.013 0.000 0.631 315 A CB -0.235 18.767 19.000 0.004 0.000 0.814 315 A HN 0.774 nan 8.150 nan 0.000 0.446 316 Q N -1.145 118.696 119.800 0.069 0.000 2.907 316 Q HA 0.408 4.748 4.340 -0.000 0.000 0.262 316 Q C 0.389 176.456 176.000 0.110 0.000 0.997 316 Q CA -0.113 55.734 55.803 0.073 0.000 0.797 316 Q CB 1.196 30.010 28.738 0.126 0.000 1.228 316 Q HN 0.136 nan 8.270 nan 0.000 0.466 317 V N 1.324 121.300 119.914 0.103 0.000 2.594 317 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 317 V C 0.848 176.963 176.094 0.034 0.000 1.069 317 V CA 2.060 64.400 62.300 0.066 0.000 1.082 317 V CB 0.158 32.044 31.823 0.105 0.000 0.680 317 V HN 0.710 nan 8.190 nan 0.000 0.469 318 D N -0.343 120.122 120.400 0.108 0.000 2.371 318 D HA -0.091 4.549 4.640 -0.000 0.000 0.221 318 D C 1.069 177.467 176.300 0.164 0.000 0.986 318 D CA 0.823 54.902 54.000 0.132 0.000 0.899 318 D CB 0.026 40.969 40.800 0.238 0.000 0.902 318 D HN 0.512 nan 8.370 nan 0.000 0.530 319 D N 0.369 120.890 120.400 0.201 0.000 2.360 319 D HA -0.004 4.636 4.640 -0.000 0.000 0.210 319 D C 0.493 176.915 176.300 0.202 0.000 1.047 319 D CA 0.214 54.406 54.000 0.320 0.000 0.854 319 D CB 0.442 41.492 40.800 0.417 0.000 0.936 319 D HN 0.070 nan 8.370 nan 0.000 0.514 320 Q N 0.709 120.509 119.800 0.001 0.000 2.304 320 Q HA 0.190 4.530 4.340 -0.000 0.000 0.260 320 Q C -0.032 175.907 176.000 -0.101 0.000 0.965 320 Q CA -0.213 55.527 55.803 -0.106 0.000 0.898 320 Q CB 1.704 30.254 28.738 -0.314 0.000 1.196 320 Q HN -0.105 nan 8.270 nan 0.000 0.402 321 V N 3.634 123.496 119.914 -0.085 0.000 2.389 321 V HA 0.170 4.290 4.120 -0.000 0.000 0.264 321 V C 0.693 176.801 176.094 0.022 0.000 1.049 321 V CA -0.446 61.783 62.300 -0.117 0.000 0.932 321 V CB 0.392 32.000 31.823 -0.360 0.000 1.011 321 V HN 0.862 nan 8.190 nan 0.000 0.475 322 T N 2.976 117.451 114.554 -0.133 0.000 2.899 322 T HA 0.812 5.162 4.350 -0.000 0.000 0.284 322 T C -0.590 174.188 174.700 0.130 0.000 1.004 322 T CA -0.411 61.538 62.100 -0.251 0.000 1.043 322 T CB 1.413 69.730 68.868 -0.919 0.000 1.013 322 T HN 0.715 nan 8.240 nan 0.000 0.518 323 F N -0.898 119.023 119.950 -0.048 0.000 2.807 323 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 323 F C -0.070 175.808 175.800 0.132 0.000 1.162 323 F CA -1.435 56.579 58.000 0.024 0.000 0.910 323 F CB 0.615 39.621 39.000 0.011 0.000 1.314 323 F HN 0.581 nan 8.300 nan 0.000 0.454 324 I N -1.541 119.141 120.570 0.187 0.000 4.181 324 I HA 0.476 4.646 4.170 -0.000 0.000 0.331 324 I C -0.914 175.400 176.117 0.328 0.000 1.312 324 I CA 0.117 61.510 61.300 0.155 0.000 1.146 324 I CB 0.571 38.568 38.000 -0.005 0.000 1.074 324 I HN 0.655 nan 8.210 nan 0.000 0.402 325 D N 0.643 121.298 120.400 0.424 0.000 2.725 325 D HA 0.380 5.020 4.640 -0.000 0.000 0.292 325 D C -1.098 175.315 176.300 0.187 0.000 1.288 325 D CA -0.629 53.580 54.000 0.348 0.000 0.784 325 D CB 0.637 41.599 40.800 0.270 0.000 1.308 325 D HN 0.295 nan 8.370 nan 0.000 0.429 326 N N -2.733 115.877 118.700 -0.151 0.000 3.449 326 N HA 0.190 4.930 4.740 -0.000 0.000 0.312 326 N C 0.476 175.521 175.510 -0.776 0.000 1.582 326 N CA -0.592 52.174 53.050 -0.473 0.000 0.850 326 N CB -0.117 38.271 38.487 -0.166 0.000 1.822 326 N HN 0.583 nan 8.380 nan 0.000 0.577 327 H N -1.895 116.940 119.070 -0.392 0.000 2.563 327 H HA 0.207 4.763 4.556 -0.000 0.000 0.272 327 H C -0.646 174.743 175.328 0.102 0.000 1.005 327 H CA 0.762 56.819 56.048 0.016 0.000 1.171 327 H CB -0.075 30.032 29.762 0.575 0.000 1.351 327 H HN 0.486 nan 8.280 nan 0.000 0.602 328 D N 0.754 120.962 120.400 -0.320 0.000 2.525 328 D HA 0.076 4.716 4.640 -0.000 0.000 0.248 328 D C 1.460 177.747 176.300 -0.021 0.000 1.000 328 D CA 0.402 54.305 54.000 -0.162 0.000 0.923 328 D CB 0.547 41.231 40.800 -0.194 0.000 1.101 328 D HN 0.476 nan 8.370 nan 0.000 0.493 329 M N 0.280 119.902 119.600 0.036 0.000 2.371 329 M HA 0.403 4.883 4.480 -0.000 0.000 0.301 329 M C -0.079 176.266 176.300 0.075 0.000 1.173 329 M CA -0.614 54.747 55.300 0.101 0.000 1.020 329 M CB 1.089 33.819 32.600 0.216 0.000 1.490 329 M HN -0.314 nan 8.290 nan 0.000 0.485 330 E N 1.285 121.535 120.200 0.083 0.000 2.415 330 E HA 0.104 4.454 4.350 -0.000 0.000 0.262 330 E C -0.657 176.008 176.600 0.109 0.000 1.038 330 E CA -0.014 56.432 56.400 0.076 0.000 0.921 330 E CB 0.458 30.188 29.700 0.049 0.000 0.950 330 E HN 0.469 nan 8.360 nan 0.000 0.438 331 R N 1.441 122.021 120.500 0.133 0.000 2.623 331 R HA -0.048 4.292 4.340 -0.000 0.000 0.271 331 R C 0.943 177.376 176.300 0.221 0.000 1.043 331 R CA -0.167 56.057 56.100 0.207 0.000 1.083 331 R CB 0.230 30.660 30.300 0.217 0.000 0.974 331 R HN 0.581 nan 8.270 nan 0.000 0.436 332 F N 1.960 122.001 119.950 0.152 0.000 2.091 332 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 332 F C 1.254 177.159 175.800 0.174 0.000 1.103 332 F CA 1.643 59.733 58.000 0.150 0.000 1.228 332 F CB -0.306 38.784 39.000 0.150 0.000 0.984 332 F HN 0.530 nan 8.300 nan 0.000 0.477 333 H N 0.877 120.189 119.070 0.402 0.000 3.017 333 H HA 0.468 5.024 4.556 -0.000 0.000 0.276 333 H C -0.277 175.134 175.328 0.139 0.000 1.062 333 H CA -0.549 55.675 56.048 0.293 0.000 1.486 333 H CB 0.140 30.097 29.762 0.325 0.000 1.507 333 H HN 0.288 nan 8.280 nan 0.000 0.508 334 A N 3.850 126.479 122.820 -0.318 0.000 2.340 334 A HA 0.251 4.571 4.320 -0.000 0.000 0.268 334 A C 1.447 178.734 177.584 -0.495 0.000 1.100 334 A CA 0.031 51.891 52.037 -0.296 0.000 0.803 334 A CB 0.419 19.310 19.000 -0.182 0.000 1.043 334 A HN 0.919 nan 8.150 nan 0.000 0.488 335 S N 1.414 116.960 115.700 -0.257 0.000 2.372 335 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 335 S C 1.609 176.121 174.600 -0.146 0.000 1.044 335 S CA 1.950 60.047 58.200 -0.172 0.000 1.050 335 S CB -0.362 62.797 63.200 -0.068 0.000 0.901 335 S HN 0.952 nan 8.310 nan 0.000 0.447 336 N N 1.366 119.995 118.700 -0.119 0.000 2.268 336 N HA 0.270 5.010 4.740 -0.000 0.000 0.204 336 N C -0.104 175.375 175.510 -0.052 0.000 1.124 336 N CA 0.159 53.171 53.050 -0.063 0.000 0.838 336 N CB -0.054 38.408 38.487 -0.042 0.000 0.994 336 N HN 0.308 nan 8.380 nan 0.000 0.489 337 A N 0.660 123.421 122.820 -0.098 0.000 2.293 337 A HA 0.292 4.612 4.320 -0.000 0.000 0.302 337 A C 0.204 177.864 177.584 0.126 0.000 1.119 337 A CA -0.701 51.331 52.037 -0.007 0.000 0.823 337 A CB 0.462 19.443 19.000 -0.032 0.000 1.097 337 A HN 0.313 nan 8.150 nan 0.000 0.491 338 N N 0.504 119.280 118.700 0.125 0.000 2.468 338 N HA 0.016 4.756 4.740 -0.000 0.000 0.265 338 N C 0.926 176.555 175.510 0.199 0.000 1.199 338 N CA 0.093 53.219 53.050 0.128 0.000 0.928 338 N CB 0.538 39.082 38.487 0.094 0.000 1.059 338 N HN 0.628 nan 8.380 nan 0.000 0.467 339 R N 2.163 122.734 120.500 0.118 0.000 2.241 339 R HA -0.124 4.216 4.340 -0.000 0.000 0.224 339 R C 1.484 177.856 176.300 0.120 0.000 1.101 339 R CA 0.755 56.875 56.100 0.033 0.000 0.995 339 R CB 0.039 30.146 30.300 -0.322 0.000 0.870 339 R HN 0.458 nan 8.270 nan 0.000 0.463 340 R N 1.762 122.328 120.500 0.110 0.000 2.148 340 R HA -0.077 4.263 4.340 -0.000 0.000 0.227 340 R C 1.418 177.808 176.300 0.151 0.000 1.103 340 R CA 1.537 57.703 56.100 0.110 0.000 0.983 340 R CB -0.063 30.292 30.300 0.091 0.000 0.874 340 R HN 0.102 nan 8.270 nan 0.000 0.451 341 K N -0.221 120.316 120.400 0.228 0.000 2.057 341 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 341 K C 1.899 178.693 176.600 0.323 0.000 1.049 341 K CA 1.577 58.065 56.287 0.336 0.000 0.931 341 K CB -0.369 32.373 32.500 0.402 0.000 0.714 341 K HN 0.125 nan 8.250 nan 0.000 0.440 342 L N 1.976 123.396 121.223 0.328 0.000 2.056 342 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 342 L C 1.780 178.568 176.870 -0.137 0.000 1.078 342 L CA 1.781 56.639 54.840 0.030 0.000 0.749 342 L CB -0.273 41.908 42.059 0.203 0.000 0.901 342 L HN 0.115 nan 8.230 nan 0.000 0.433 343 E N -0.835 119.364 120.200 -0.001 0.000 2.118 343 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 343 E C 2.171 178.707 176.600 -0.106 0.000 0.992 343 E CA 1.554 57.934 56.400 -0.034 0.000 0.804 343 E CB -0.177 29.549 29.700 0.043 0.000 0.741 343 E HN 0.659 nan 8.360 nan 0.000 0.458 344 Q N 0.077 119.807 119.800 -0.118 0.000 2.083 344 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 344 Q C 2.334 178.040 176.000 -0.489 0.000 0.969 344 Q CA 1.092 56.768 55.803 -0.212 0.000 0.838 344 Q CB -0.128 28.543 28.738 -0.111 0.000 0.900 344 Q HN 0.248 nan 8.270 nan 0.000 0.436 345 A N 1.059 123.489 122.820 -0.651 0.000 1.940 345 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 345 A C 2.082 179.443 177.584 -0.372 0.000 1.176 345 A CA 1.090 52.677 52.037 -0.751 0.000 0.631 345 A CB -0.639 17.802 19.000 -0.932 0.000 0.814 345 A HN 0.261 nan 8.150 nan 0.000 0.446 346 L N -0.963 120.071 121.223 -0.315 0.000 2.027 346 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 346 L C 3.147 179.947 176.870 -0.117 0.000 1.074 346 L CA 1.083 55.810 54.840 -0.188 0.000 0.745 346 L CB -0.568 41.386 42.059 -0.174 0.000 0.898 346 L HN 0.433 nan 8.230 nan 0.000 0.433 347 A N -0.222 122.531 122.820 -0.110 0.000 1.908 347 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 347 A C 2.170 179.761 177.584 0.012 0.000 1.181 347 A CA 1.738 53.737 52.037 -0.063 0.000 0.627 347 A CB -0.886 18.078 19.000 -0.061 0.000 0.818 347 A HN 0.407 nan 8.150 nan 0.000 0.445 348 F N 1.380 121.256 119.950 -0.123 0.000 2.075 348 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 348 F C 2.511 178.358 175.800 0.078 0.000 1.113 348 F CA 2.385 60.384 58.000 -0.001 0.000 1.218 348 F CB -0.826 38.067 39.000 -0.178 0.000 0.984 348 F HN 0.210 nan 8.300 nan 0.000 0.472 349 T N 1.587 116.163 114.554 0.037 0.000 2.746 349 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 349 T C 2.158 176.784 174.700 -0.123 0.000 1.039 349 T CA 1.790 63.904 62.100 0.025 0.000 1.142 349 T CB -0.597 68.330 68.868 0.098 0.000 0.866 349 T HN 0.250 nan 8.240 nan 0.000 0.444 350 L N 1.274 122.434 121.223 -0.105 0.000 2.191 350 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 350 L C 2.628 179.421 176.870 -0.128 0.000 1.103 350 L CA 1.375 56.141 54.840 -0.122 0.000 0.769 350 L CB -0.768 41.223 42.059 -0.113 0.000 0.908 350 L HN 0.446 nan 8.230 nan 0.000 0.438 351 T N -5.763 108.726 114.554 -0.108 0.000 3.069 351 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 351 T C 0.790 175.462 174.700 -0.047 0.000 1.053 351 T CA -0.293 61.768 62.100 -0.065 0.000 0.964 351 T CB 0.302 69.162 68.868 -0.014 0.000 1.005 351 T HN -0.004 nan 8.240 nan 0.000 0.532 352 S N 2.238 117.825 115.700 -0.188 0.000 2.707 352 S HA 0.579 5.049 4.470 -0.000 0.000 0.276 352 S C 0.407 174.891 174.600 -0.192 0.000 1.179 352 S CA -1.060 56.991 58.200 -0.248 0.000 0.992 352 S CB 0.864 63.786 63.200 -0.463 0.000 1.030 352 S HN 0.607 nan 8.310 nan 0.000 0.554 353 R N 0.619 121.033 120.500 -0.144 0.000 2.694 353 R HA 0.552 4.892 4.340 -0.000 0.000 0.268 353 R C 0.582 176.764 176.300 -0.197 0.000 1.061 353 R CA 0.596 56.628 56.100 -0.114 0.000 1.133 353 R CB -1.182 29.100 30.300 -0.031 0.000 1.020 353 R HN 0.939 nan 8.270 nan 0.000 0.475 354 G N 0.014 108.727 108.800 -0.144 0.000 2.418 354 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.206 354 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.206 354 G C -1.519 173.279 174.900 -0.170 0.000 1.202 354 G CA -0.317 44.684 45.100 -0.164 0.000 1.061 354 G HN 0.716 nan 8.290 nan 0.000 0.563 355 V N 2.170 121.974 119.914 -0.183 0.000 2.398 355 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 355 V C -2.291 173.708 176.094 -0.160 0.000 1.014 355 V CA -1.035 61.165 62.300 -0.167 0.000 0.838 355 V CB 1.894 33.620 31.823 -0.160 0.000 1.018 355 V HN 0.589 nan 8.190 nan 0.000 0.432 356 P HA 0.395 nan 4.420 nan 0.000 0.271 356 P C -0.665 176.589 177.300 -0.076 0.000 1.216 356 P CA 0.108 63.129 63.100 -0.131 0.000 0.771 356 P CB 0.893 32.510 31.700 -0.138 0.000 0.864 357 A N 4.334 127.128 122.820 -0.043 0.000 2.411 357 A HA 0.551 4.871 4.320 -0.000 0.000 0.285 357 A C -0.543 176.978 177.584 -0.105 0.000 1.129 357 A CA -0.618 51.353 52.037 -0.111 0.000 0.736 357 A CB 0.341 19.267 19.000 -0.123 0.000 1.186 357 A HN 0.435 nan 8.150 nan 0.000 0.445 358 I N 2.908 123.392 120.570 -0.144 0.000 2.315 358 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 358 I C -0.263 175.716 176.117 -0.230 0.000 1.006 358 I CA -0.665 60.572 61.300 -0.105 0.000 1.265 358 I CB 0.824 38.800 38.000 -0.040 0.000 1.387 358 I HN 0.704 nan 8.210 nan 0.000 0.475 359 Y N 8.733 128.888 120.300 -0.241 0.000 2.526 359 Y HA 0.008 4.558 4.550 -0.000 0.000 0.330 359 Y C 0.141 175.817 175.900 -0.373 0.000 1.156 359 Y CA -0.867 57.091 58.100 -0.238 0.000 1.419 359 Y CB 0.109 38.542 38.460 -0.045 0.000 1.250 359 Y HN 0.444 nan 8.280 nan 0.000 0.540 360 Y N 3.931 123.697 120.300 -0.890 0.000 2.811 360 Y HA 0.324 4.874 4.550 -0.000 0.000 0.334 360 Y C 1.116 176.800 175.900 -0.361 0.000 1.247 360 Y CA -0.441 57.191 58.100 -0.781 0.000 1.526 360 Y CB 0.028 38.199 38.460 -0.482 0.000 1.284 360 Y HN 0.927 nan 8.280 nan 0.000 0.586 361 G N 2.078 110.800 108.800 -0.130 0.000 2.225 361 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.254 361 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.254 361 G C 0.901 175.725 174.900 -0.127 0.000 0.988 361 G CA 0.513 45.514 45.100 -0.165 0.000 0.625 361 G HN 0.864 nan 8.290 nan 0.000 0.527 362 T N 1.771 116.245 114.554 -0.133 0.000 2.699 362 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 362 T C 2.115 176.727 174.700 -0.146 0.000 1.036 362 T CA 1.950 64.008 62.100 -0.070 0.000 1.147 362 T CB -0.274 68.574 68.868 -0.033 0.000 0.862 362 T HN 0.802 nan 8.240 nan 0.000 0.446 363 E N 1.069 121.220 120.200 -0.081 0.000 2.472 363 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 363 E C 1.238 177.697 176.600 -0.234 0.000 1.046 363 E CA 0.761 57.068 56.400 -0.154 0.000 0.871 363 E CB -0.134 29.596 29.700 0.049 0.000 0.806 363 E HN 0.394 nan 8.360 nan 0.000 0.533 364 Q N -0.150 119.573 119.800 -0.129 0.000 2.198 364 Q HA 0.073 4.413 4.340 -0.000 0.000 0.209 364 Q C -0.568 175.441 176.000 0.014 0.000 0.848 364 Q CA -0.432 55.344 55.803 -0.045 0.000 0.974 364 Q CB -0.224 28.537 28.738 0.039 0.000 1.115 364 Q HN 0.305 nan 8.270 nan 0.000 0.494 365 Y N -1.323 118.983 120.300 0.010 0.000 3.689 365 Y HA -0.276 4.274 4.550 -0.000 0.000 0.221 365 Y C 0.315 176.288 175.900 0.121 0.000 1.247 365 Y CA 0.226 58.309 58.100 -0.027 0.000 1.671 365 Y CB -2.581 35.806 38.460 -0.121 0.000 1.521 365 Y HN 0.208 nan 8.280 nan 0.000 0.632 366 M N 0.099 119.796 119.600 0.162 0.000 2.245 366 M HA 0.246 4.726 4.480 -0.000 0.000 0.344 366 M C 0.633 177.052 176.300 0.199 0.000 1.170 366 M CA 0.864 56.240 55.300 0.127 0.000 1.135 366 M CB 0.610 33.202 32.600 -0.013 0.000 1.574 366 M HN 0.244 nan 8.290 nan 0.000 0.452 367 S N 0.779 116.573 115.700 0.157 0.000 2.566 367 S HA 0.941 5.411 4.470 -0.000 0.000 0.298 367 S C -0.250 174.396 174.600 0.077 0.000 1.083 367 S CA -0.783 57.490 58.200 0.121 0.000 0.978 367 S CB 2.213 65.450 63.200 0.063 0.000 1.073 367 S HN 0.936 nan 8.310 nan 0.000 0.491 368 G N -0.032 108.808 108.800 0.068 0.000 2.443 368 G HA2 0.508 4.468 3.960 -0.000 0.000 0.303 368 G HA3 0.508 4.468 3.960 -0.000 0.000 0.303 368 G C -0.285 174.648 174.900 0.055 0.000 1.613 368 G CA -0.260 44.874 45.100 0.057 0.000 0.879 368 G HN 0.879 nan 8.290 nan 0.000 0.632 369 G N -0.348 108.475 108.800 0.039 0.000 2.485 369 G HA2 0.638 4.598 3.960 -0.000 0.000 0.260 369 G HA3 0.638 4.598 3.960 -0.000 0.000 0.260 369 G C 0.900 175.827 174.900 0.044 0.000 1.459 369 G CA 0.618 45.738 45.100 0.033 0.000 1.060 369 G HN 1.552 nan 8.290 nan 0.000 0.546 370 T N -1.634 112.940 114.554 0.033 0.000 2.813 370 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 370 T C 0.273 174.995 174.700 0.037 0.000 1.036 370 T CA -0.010 62.109 62.100 0.033 0.000 1.044 370 T CB 0.906 69.783 68.868 0.016 0.000 0.993 370 T HN 0.542 nan 8.240 nan 0.000 0.535 371 D N 2.253 122.677 120.400 0.041 0.000 2.877 371 D HA -0.052 4.588 4.640 -0.000 0.000 0.220 371 D C -0.950 175.383 176.300 0.056 0.000 1.089 371 D CA -1.110 52.927 54.000 0.061 0.000 0.811 371 D CB 0.564 41.395 40.800 0.052 0.000 1.162 371 D HN 0.434 nan 8.370 nan 0.000 0.513 372 P HA 0.098 nan 4.420 nan 0.000 0.267 372 P C 0.153 177.479 177.300 0.044 0.000 1.289 372 P CA -0.126 63.023 63.100 0.082 0.000 0.866 372 P CB 0.496 32.247 31.700 0.085 0.000 1.309 373 D N 1.515 121.939 120.400 0.040 0.000 2.309 373 D HA -0.104 4.536 4.640 -0.000 0.000 0.212 373 D C 1.061 177.393 176.300 0.054 0.000 0.968 373 D CA 0.920 54.940 54.000 0.034 0.000 0.882 373 D CB -0.197 40.621 40.800 0.029 0.000 0.918 373 D HN 0.391 nan 8.370 nan 0.000 0.503 374 N N -0.023 118.727 118.700 0.083 0.000 2.322 374 N HA -0.028 4.712 4.740 -0.000 0.000 0.194 374 N C 0.520 176.143 175.510 0.188 0.000 1.126 374 N CA -0.029 53.108 53.050 0.145 0.000 0.845 374 N CB -0.012 38.572 38.487 0.162 0.000 0.976 374 N HN 0.044 nan 8.380 nan 0.000 0.475 375 R N 0.079 120.629 120.500 0.084 0.000 2.767 375 R HA 0.430 4.770 4.340 -0.000 0.000 0.377 375 R C -0.199 176.132 176.300 0.052 0.000 1.151 375 R CA -0.350 55.758 56.100 0.013 0.000 1.046 375 R CB 0.810 30.957 30.300 -0.255 0.000 1.404 375 R HN 0.138 nan 8.270 nan 0.000 0.580 376 A N 1.460 124.327 122.820 0.077 0.000 2.366 376 A HA 0.174 4.494 4.320 -0.000 0.000 0.249 376 A C 0.205 177.874 177.584 0.143 0.000 1.084 376 A CA -0.332 51.741 52.037 0.059 0.000 0.794 376 A CB 0.284 19.300 19.000 0.027 0.000 1.034 376 A HN 0.438 nan 8.150 nan 0.000 0.491 377 R N 1.286 121.837 120.500 0.085 0.000 2.570 377 R HA 0.170 4.510 4.340 -0.000 0.000 0.277 377 R C -0.011 176.345 176.300 0.094 0.000 1.039 377 R CA -0.188 55.975 56.100 0.105 0.000 1.065 377 R CB 0.109 30.424 30.300 0.025 0.000 0.964 377 R HN 0.706 nan 8.270 nan 0.000 0.428 378 I N 7.684 128.347 120.570 0.154 0.000 2.742 378 I HA 0.001 4.171 4.170 -0.000 0.000 0.287 378 I C -1.238 174.752 176.117 -0.211 0.000 1.186 378 I CA -1.411 59.894 61.300 0.007 0.000 1.417 378 I CB 1.157 39.186 38.000 0.048 0.000 1.377 378 I HN 0.735 nan 8.210 nan 0.000 0.556 379 P HA -0.013 nan 4.420 nan 0.000 0.229 379 P C 0.046 177.199 177.300 -0.244 0.000 1.160 379 P CA 0.497 63.498 63.100 -0.166 0.000 0.777 379 P CB 0.321 31.976 31.700 -0.075 0.000 0.814 380 S N -1.339 114.140 115.700 -0.369 0.000 2.567 380 S HA 0.521 4.991 4.470 -0.000 0.000 0.270 380 S C -1.630 172.656 174.600 -0.523 0.000 1.152 380 S CA -0.604 57.383 58.200 -0.354 0.000 0.835 380 S CB 0.259 63.387 63.200 -0.120 0.000 1.115 380 S HN -0.192 nan 8.310 nan 0.000 0.459 381 F N 2.286 122.127 119.950 -0.181 0.000 2.831 381 F HA 0.439 4.966 4.527 0.000 0.000 0.355 381 F C 0.898 176.690 175.800 -0.013 0.000 1.341 381 F CA -0.470 57.313 58.000 -0.363 0.000 1.201 381 F CB 0.838 39.508 39.000 -0.550 0.000 1.058 381 F HN 0.476 nan 8.300 nan 0.000 0.514 382 S N 0.206 116.004 115.700 0.163 0.000 2.545 382 S HA 0.229 4.699 4.470 -0.000 0.000 0.275 382 S C 1.318 175.831 174.600 -0.145 0.000 1.299 382 S CA 0.089 58.315 58.200 0.044 0.000 1.048 382 S CB 0.673 63.884 63.200 0.019 0.000 0.938 382 S HN 0.503 nan 8.310 nan 0.000 0.496 383 T N 1.313 115.618 114.554 -0.415 0.000 3.086 383 T HA 0.167 4.517 4.350 -0.000 0.000 0.250 383 T C 1.148 175.521 174.700 -0.545 0.000 1.074 383 T CA 0.091 61.497 62.100 -1.157 0.000 0.988 383 T CB -0.018 68.357 68.868 -0.822 0.000 0.988 383 T HN 0.401 nan 8.240 nan 0.000 0.530 384 S N 2.081 117.648 115.700 -0.222 0.000 2.575 384 S HA 0.122 4.592 4.470 -0.000 0.000 0.215 384 S C 1.150 175.764 174.600 0.023 0.000 0.966 384 S CA 0.122 58.282 58.200 -0.067 0.000 0.911 384 S CB -0.167 63.014 63.200 -0.032 0.000 0.780 384 S HN 0.885 nan 8.310 nan 0.000 0.514 385 T N -0.189 114.402 114.554 0.061 0.000 2.899 385 T HA 0.173 4.523 4.350 -0.000 0.000 0.295 385 T C 1.311 176.115 174.700 0.173 0.000 1.033 385 T CA -0.218 61.986 62.100 0.174 0.000 1.084 385 T CB 0.869 69.845 68.868 0.179 0.000 0.979 385 T HN -0.023 nan 8.240 nan 0.000 0.532 386 T N 1.999 116.688 114.554 0.224 0.000 2.746 386 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 386 T C 2.390 177.161 174.700 0.117 0.000 1.039 386 T CA 1.428 63.627 62.100 0.165 0.000 1.142 386 T CB -0.791 68.183 68.868 0.176 0.000 0.866 386 T HN 0.828 nan 8.240 nan 0.000 0.444 387 A N 0.499 123.364 122.820 0.075 0.000 1.908 387 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 387 A C 2.080 179.637 177.584 -0.045 0.000 1.181 387 A CA 1.649 53.633 52.037 -0.088 0.000 0.627 387 A CB -1.073 17.675 19.000 -0.421 0.000 0.818 387 A HN 0.590 nan 8.150 nan 0.000 0.445 388 Y N 0.526 120.755 120.300 -0.117 0.000 2.165 388 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 388 Y C 2.541 178.390 175.900 -0.085 0.000 1.155 388 Y CA 2.368 60.409 58.100 -0.099 0.000 1.164 388 Y CB -0.369 38.052 38.460 -0.065 0.000 0.978 388 Y HN 0.451 nan 8.280 nan 0.000 0.513 389 Q N -1.055 118.855 119.800 0.184 0.000 2.119 389 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 389 Q C 2.315 178.309 176.000 -0.010 0.000 0.972 389 Q CA 1.681 57.542 55.803 0.097 0.000 0.847 389 Q CB -0.208 28.584 28.738 0.090 0.000 0.903 389 Q HN 0.375 nan 8.270 nan 0.000 0.433 390 V N 1.060 120.957 119.914 -0.029 0.000 2.295 390 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 390 V C 2.099 178.128 176.094 -0.107 0.000 1.049 390 V CA 1.710 63.971 62.300 -0.064 0.000 1.024 390 V CB -0.441 31.344 31.823 -0.063 0.000 0.648 390 V HN 0.359 nan 8.190 nan 0.000 0.447 391 I N -0.240 120.239 120.570 -0.150 0.000 2.226 391 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 391 I C 2.654 178.643 176.117 -0.214 0.000 1.100 391 I CA 1.935 63.117 61.300 -0.197 0.000 1.374 391 I CB -0.501 37.342 38.000 -0.262 0.000 1.057 391 I HN 0.390 nan 8.210 nan 0.000 0.413 392 Q N 1.664 121.320 119.800 -0.240 0.000 2.135 392 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 392 Q C 2.046 177.973 176.000 -0.122 0.000 0.981 392 Q CA 1.763 57.449 55.803 -0.195 0.000 0.856 392 Q CB 0.086 28.751 28.738 -0.121 0.000 0.902 392 Q HN 0.473 nan 8.270 nan 0.000 0.425 393 K N -0.391 119.950 120.400 -0.097 0.000 2.186 393 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 393 K C 1.973 178.516 176.600 -0.095 0.000 1.052 393 K CA 0.762 57.001 56.287 -0.081 0.000 0.965 393 K CB 0.254 32.715 32.500 -0.064 0.000 0.746 393 K HN 0.252 nan 8.250 nan 0.000 0.457 394 L N -0.147 121.010 121.223 -0.110 0.000 2.357 394 L HA 0.137 4.477 4.340 -0.000 0.000 0.211 394 L C 2.456 179.251 176.870 -0.125 0.000 1.075 394 L CA 0.247 55.019 54.840 -0.115 0.000 0.830 394 L CB -0.338 41.653 42.059 -0.115 0.000 0.996 394 L HN 0.070 nan 8.230 nan 0.000 0.467 395 A N 1.396 124.133 122.820 -0.138 0.000 1.892 395 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 395 A C -0.143 177.355 177.584 -0.142 0.000 1.188 395 A CA 1.860 53.809 52.037 -0.146 0.000 0.631 395 A CB -1.832 17.071 19.000 -0.162 0.000 0.822 395 A HN 0.253 nan 8.150 nan 0.000 0.447 396 P HA -0.105 nan 4.420 nan 0.000 0.221 396 P C 1.254 178.480 177.300 -0.124 0.000 1.145 396 P CA 0.689 63.715 63.100 -0.123 0.000 0.795 396 P CB -0.136 31.501 31.700 -0.105 0.000 0.775 397 L N -1.031 120.120 121.223 -0.121 0.000 2.191 397 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 397 L C 2.431 179.212 176.870 -0.149 0.000 1.103 397 L CA 1.300 56.069 54.840 -0.119 0.000 0.769 397 L CB -0.567 41.427 42.059 -0.108 0.000 0.908 397 L HN -0.025 nan 8.230 nan 0.000 0.438 398 R N -0.205 120.192 120.500 -0.172 0.000 2.189 398 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 398 R C 2.063 178.211 176.300 -0.253 0.000 1.092 398 R CA 0.694 56.659 56.100 -0.224 0.000 0.989 398 R CB -0.023 30.142 30.300 -0.224 0.000 0.876 398 R HN 0.296 nan 8.270 nan 0.000 0.457 399 K N -0.032 120.247 120.400 -0.202 0.000 2.141 399 K HA 0.023 4.343 4.320 -0.000 0.000 0.202 399 K C 2.160 178.663 176.600 -0.161 0.000 1.045 399 K CA 1.371 57.544 56.287 -0.189 0.000 0.971 399 K CB -0.044 32.362 32.500 -0.157 0.000 0.795 399 K HN 0.130 nan 8.250 nan 0.000 0.459 400 S N 0.724 116.343 115.700 -0.134 0.000 2.436 400 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 400 S C 0.848 175.386 174.600 -0.103 0.000 1.014 400 S CA 0.282 58.418 58.200 -0.107 0.000 0.950 400 S CB -0.078 63.069 63.200 -0.088 0.000 0.784 400 S HN 0.064 nan 8.310 nan 0.000 0.504 401 N N 2.089 120.718 118.700 -0.120 0.000 2.569 401 N HA 0.351 5.091 4.740 -0.000 0.000 0.254 401 N C -2.372 173.054 175.510 -0.140 0.000 1.004 401 N CA -2.134 50.858 53.050 -0.096 0.000 0.904 401 N CB 2.019 40.464 38.487 -0.069 0.000 1.165 401 N HN 0.019 nan 8.380 nan 0.000 0.513 402 P HA -0.088 nan 4.420 nan 0.000 0.228 402 P C 0.894 178.094 177.300 -0.166 0.000 1.151 402 P CA 0.591 63.553 63.100 -0.231 0.000 0.770 402 P CB 0.391 32.100 31.700 0.015 0.000 0.786 403 A N 0.333 123.167 122.820 0.023 0.000 1.930 403 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 403 A C 2.218 179.793 177.584 -0.014 0.000 1.175 403 A CA 1.164 53.261 52.037 0.100 0.000 0.627 403 A CB -1.097 17.974 19.000 0.118 0.000 0.815 403 A HN 0.054 nan 8.150 nan 0.000 0.443 404 I N -0.330 120.181 120.570 -0.098 0.000 2.286 404 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 404 I C 2.851 178.834 176.117 -0.222 0.000 1.104 404 I CA 1.425 62.648 61.300 -0.128 0.000 1.397 404 I CB -1.520 36.395 38.000 -0.142 0.000 1.072 404 I HN 0.355 nan 8.210 nan 0.000 0.417 405 A N -0.134 122.442 122.820 -0.407 0.000 1.897 405 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 405 A C 1.623 178.875 177.584 -0.554 0.000 1.181 405 A CA 1.385 53.037 52.037 -0.641 0.000 0.620 405 A CB -0.446 17.880 19.000 -1.123 0.000 0.821 405 A HN 0.456 nan 8.150 nan 0.000 0.443 406 Y N -1.035 119.089 120.300 -0.294 0.000 2.563 406 Y HA 0.371 4.921 4.550 -0.000 0.000 0.250 406 Y C 1.435 177.280 175.900 -0.093 0.000 1.126 406 Y CA -1.004 56.907 58.100 -0.316 0.000 1.231 406 Y CB -0.681 37.267 38.460 -0.853 0.000 1.288 406 Y HN 0.209 nan 8.280 nan 0.000 0.537 407 G N 1.056 109.925 108.800 0.116 0.000 2.569 407 G HA2 0.349 4.309 3.960 -0.000 0.000 0.249 407 G HA3 0.349 4.309 3.960 -0.000 0.000 0.249 407 G C 0.353 175.366 174.900 0.188 0.000 1.216 407 G CA -0.075 45.167 45.100 0.237 0.000 0.845 407 G HN 0.246 nan 8.290 nan 0.000 0.568 408 S N -0.495 115.324 115.700 0.198 0.000 2.617 408 S HA 0.541 5.011 4.470 -0.000 0.000 0.259 408 S C 0.066 174.750 174.600 0.140 0.000 1.301 408 S CA -0.328 57.963 58.200 0.151 0.000 0.984 408 S CB 1.270 64.552 63.200 0.136 0.000 0.954 408 S HN 0.582 nan 8.310 nan 0.000 0.572 409 T N 1.427 116.056 114.554 0.126 0.000 2.841 409 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 409 T C -0.976 173.810 174.700 0.143 0.000 0.991 409 T CA -0.528 61.659 62.100 0.144 0.000 0.966 409 T CB 1.345 70.275 68.868 0.103 0.000 0.962 409 T HN 0.685 nan 8.240 nan 0.000 0.438 410 Q N 2.209 122.115 119.800 0.177 0.000 2.305 410 Q HA 0.279 4.619 4.340 -0.000 0.000 0.271 410 Q C -0.976 175.143 176.000 0.199 0.000 1.046 410 Q CA -0.719 55.178 55.803 0.157 0.000 0.798 410 Q CB 1.695 30.511 28.738 0.129 0.000 1.286 410 Q HN 0.613 nan 8.270 nan 0.000 0.435 411 E N 3.580 123.884 120.200 0.173 0.000 2.324 411 E HA 0.041 4.391 4.350 -0.000 0.000 0.271 411 E C -0.266 176.440 176.600 0.176 0.000 1.028 411 E CA 0.171 56.687 56.400 0.193 0.000 0.890 411 E CB 0.676 30.457 29.700 0.136 0.000 1.004 411 E HN 0.621 nan 8.360 nan 0.000 0.431 412 R N 3.314 123.948 120.500 0.223 0.000 2.344 412 R HA 0.145 4.485 4.340 -0.000 0.000 0.209 412 R C -0.321 176.159 176.300 0.300 0.000 0.886 412 R CA 0.157 56.390 56.100 0.222 0.000 1.040 412 R CB 0.423 30.858 30.300 0.224 0.000 1.114 412 R HN 0.580 nan 8.270 nan 0.000 0.547 413 W N -0.093 121.265 121.300 0.096 0.000 3.479 413 W HA 0.568 5.228 4.660 -0.000 0.000 0.304 413 W C -1.672 174.872 176.519 0.041 0.000 1.243 413 W CA -0.588 56.797 57.345 0.067 0.000 1.202 413 W CB 1.346 30.851 29.460 0.075 0.000 1.346 413 W HN -0.180 nan 8.180 nan 0.000 0.539 414 I N 5.723 126.261 120.570 -0.054 0.000 2.771 414 I HA 0.398 4.567 4.170 -0.000 0.000 0.291 414 I C -1.643 174.322 176.117 -0.253 0.000 1.527 414 I CA -0.429 60.833 61.300 -0.063 0.000 1.024 414 I CB 1.463 39.367 38.000 -0.159 0.000 1.388 414 I HN 0.645 nan 8.210 nan 0.000 0.447 415 N N 3.654 122.247 118.700 -0.180 0.000 3.344 415 N HA 0.337 5.077 4.740 -0.000 0.000 0.296 415 N C -0.341 175.040 175.510 -0.215 0.000 1.571 415 N CA -0.646 52.338 53.050 -0.110 0.000 0.844 415 N CB 0.281 38.809 38.487 0.068 0.000 1.718 415 N HN 0.599 nan 8.380 nan 0.000 0.589 416 N N -0.894 117.828 118.700 0.038 0.000 2.060 416 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 416 N C -0.269 175.197 175.510 -0.074 0.000 1.028 416 N CA 1.806 54.876 53.050 0.033 0.000 0.861 416 N CB -0.145 38.394 38.487 0.087 0.000 1.029 416 N HN 0.523 nan 8.380 nan 0.000 0.428 417 D N -0.384 119.998 120.400 -0.030 0.000 2.417 417 D HA 0.120 4.760 4.640 -0.000 0.000 0.207 417 D C -0.270 176.021 176.300 -0.015 0.000 1.075 417 D CA 0.223 54.199 54.000 -0.041 0.000 0.851 417 D CB 1.004 41.804 40.800 0.000 0.000 0.976 417 D HN -0.033 nan 8.370 nan 0.000 0.505 418 V N 1.818 121.756 119.914 0.040 0.000 2.555 418 V HA 0.428 4.548 4.120 -0.000 0.000 0.302 418 V C -0.694 175.480 176.094 0.133 0.000 1.038 418 V CA -0.873 61.499 62.300 0.121 0.000 0.887 418 V CB 2.556 34.516 31.823 0.229 0.000 0.991 418 V HN -0.068 nan 8.190 nan 0.000 0.434 419 L N 6.351 127.675 121.223 0.169 0.000 2.439 419 L HA 0.669 5.009 4.340 -0.000 0.000 0.270 419 L C -1.021 176.051 176.870 0.336 0.000 0.972 419 L CA 0.057 55.033 54.840 0.227 0.000 0.836 419 L CB 1.584 43.751 42.059 0.180 0.000 1.255 419 L HN 0.569 nan 8.230 nan 0.000 0.404 420 I N 6.296 127.083 120.570 0.362 0.000 2.382 420 I HA 0.382 4.552 4.170 -0.000 0.000 0.286 420 I C -1.106 175.211 176.117 0.333 0.000 1.002 420 I CA -0.751 60.729 61.300 0.301 0.000 1.135 420 I CB 1.162 39.357 38.000 0.325 0.000 1.288 420 I HN 0.625 nan 8.210 nan 0.000 0.448 421 Y N 3.353 123.775 120.300 0.203 0.000 2.562 421 Y HA 0.750 5.300 4.550 -0.000 0.000 0.343 421 Y C -0.637 175.348 175.900 0.142 0.000 1.025 421 Y CA -1.375 56.828 58.100 0.171 0.000 1.082 421 Y CB 1.099 39.666 38.460 0.178 0.000 1.264 421 Y HN 0.500 nan 8.280 nan 0.000 0.478 422 E N 2.284 122.637 120.200 0.254 0.000 2.222 422 E HA 0.486 4.836 4.350 -0.000 0.000 0.267 422 E C -1.185 175.530 176.600 0.191 0.000 0.884 422 E CA -1.137 55.353 56.400 0.150 0.000 0.764 422 E CB 1.078 30.851 29.700 0.122 0.000 1.169 422 E HN 0.636 nan 8.360 nan 0.000 0.413 423 R N 3.342 123.930 120.500 0.146 0.000 2.460 423 R HA 0.458 4.798 4.340 -0.000 0.000 0.303 423 R C -0.747 175.634 176.300 0.134 0.000 0.968 423 R CA -0.656 55.532 56.100 0.147 0.000 0.889 423 R CB 1.510 31.880 30.300 0.118 0.000 1.123 423 R HN 0.527 nan 8.270 nan 0.000 0.455 424 K N 2.289 122.786 120.400 0.162 0.000 2.513 424 K HA 0.443 4.762 4.320 -0.000 0.000 0.251 424 K C -1.864 174.892 176.600 0.261 0.000 0.939 424 K CA -0.584 55.807 56.287 0.174 0.000 0.793 424 K CB 1.443 34.019 32.500 0.127 0.000 1.241 424 K HN 0.410 nan 8.250 nan 0.000 0.431 425 F N 4.176 124.174 119.950 0.079 0.000 2.730 425 F HA 0.435 4.962 4.527 -0.000 0.000 0.335 425 F C 0.269 176.108 175.800 0.065 0.000 1.212 425 F CA 0.719 58.772 58.000 0.087 0.000 1.016 425 F CB 1.302 40.375 39.000 0.121 0.000 1.290 425 F HN 0.851 nan 8.300 nan 0.000 0.495 426 G N 3.497 112.028 108.800 -0.448 0.000 2.583 426 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.292 426 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.292 426 G C 0.781 175.635 174.900 -0.076 0.000 1.203 426 G CA 0.255 45.159 45.100 -0.326 0.000 0.987 426 G HN 0.849 nan 8.290 nan 0.000 0.554 427 S N 1.987 117.676 115.700 -0.020 0.000 2.603 427 S HA 0.134 4.604 4.470 -0.000 0.000 0.220 427 S C 0.759 175.453 174.600 0.156 0.000 0.967 427 S CA 0.216 58.467 58.200 0.086 0.000 0.920 427 S CB -0.231 63.019 63.200 0.082 0.000 0.773 427 S HN 0.531 nan 8.310 nan 0.000 0.529 428 N N 1.682 120.450 118.700 0.114 0.000 2.479 428 N HA 0.419 5.159 4.740 -0.000 0.000 0.285 428 N C -0.857 174.759 175.510 0.175 0.000 1.075 428 N CA -0.006 53.120 53.050 0.127 0.000 0.967 428 N CB 1.872 40.430 38.487 0.118 0.000 1.137 428 N HN -0.067 nan 8.380 nan 0.000 0.472 429 V N 0.205 120.235 119.914 0.193 0.000 2.888 429 V HA 0.782 4.902 4.120 -0.000 0.000 0.309 429 V C -0.707 175.446 176.094 0.097 0.000 1.114 429 V CA -0.939 61.449 62.300 0.148 0.000 0.940 429 V CB 1.875 33.782 31.823 0.139 0.000 1.021 429 V HN 0.818 nan 8.190 nan 0.000 0.426 430 A N 3.059 125.913 122.820 0.057 0.000 2.427 430 A HA 0.894 5.214 4.320 -0.000 0.000 0.298 430 A C -1.407 176.170 177.584 -0.013 0.000 1.036 430 A CA -0.536 51.509 52.037 0.013 0.000 0.701 430 A CB 1.957 20.952 19.000 -0.008 0.000 1.250 430 A HN 0.745 nan 8.150 nan 0.000 0.412 431 V N 2.509 122.411 119.914 -0.020 0.000 2.487 431 V HA 0.593 4.713 4.120 -0.000 0.000 0.298 431 V C -0.517 175.473 176.094 -0.174 0.000 1.028 431 V CA -0.528 61.762 62.300 -0.016 0.000 0.860 431 V CB 1.663 33.587 31.823 0.169 0.000 0.991 431 V HN 0.706 nan 8.190 nan 0.000 0.427 432 V N 3.594 123.244 119.914 -0.440 0.000 2.487 432 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 432 V C 0.138 175.982 176.094 -0.418 0.000 1.028 432 V CA -0.553 61.384 62.300 -0.604 0.000 0.860 432 V CB 1.827 33.113 31.823 -0.896 0.000 0.991 432 V HN 0.989 nan 8.190 nan 0.000 0.427 433 A N 4.562 127.205 122.820 -0.295 0.000 2.318 433 A HA 0.904 5.224 4.320 -0.000 0.000 0.317 433 A C -0.967 176.624 177.584 0.011 0.000 1.159 433 A CA -0.544 51.476 52.037 -0.029 0.000 0.799 433 A CB 1.534 20.609 19.000 0.124 0.000 1.194 433 A HN 0.726 nan 8.150 nan 0.000 0.479 434 V N 2.886 122.882 119.914 0.136 0.000 2.577 434 V HA 0.392 4.512 4.120 -0.000 0.000 0.303 434 V C -0.727 175.460 176.094 0.156 0.000 1.042 434 V CA -0.787 61.616 62.300 0.172 0.000 0.872 434 V CB 1.955 33.962 31.823 0.307 0.000 0.998 434 V HN 0.898 nan 8.190 nan 0.000 0.423 435 N N 3.570 122.345 118.700 0.125 0.000 2.564 435 N HA 0.296 5.036 4.740 -0.000 0.000 0.248 435 N C 1.046 176.620 175.510 0.107 0.000 0.986 435 N CA -0.777 52.329 53.050 0.092 0.000 0.921 435 N CB 1.278 39.803 38.487 0.062 0.000 1.136 435 N HN 0.708 nan 8.380 nan 0.000 0.509 436 R N 2.120 122.673 120.500 0.089 0.000 2.235 436 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 436 R C 0.163 176.502 176.300 0.065 0.000 1.059 436 R CA 0.287 56.446 56.100 0.098 0.000 0.997 436 R CB -0.163 30.105 30.300 -0.054 0.000 0.884 436 R HN 0.258 nan 8.270 nan 0.000 0.462 437 N N 1.890 120.615 118.700 0.041 0.000 2.416 437 N HA -0.016 4.724 4.740 -0.000 0.000 0.271 437 N C 0.436 175.975 175.510 0.047 0.000 1.245 437 N CA 0.113 53.184 53.050 0.036 0.000 0.940 437 N CB 0.801 39.305 38.487 0.029 0.000 1.175 437 N HN 0.313 nan 8.380 nan 0.000 0.483 438 L N 2.892 124.145 121.223 0.050 0.000 2.552 438 L HA 0.010 4.350 4.340 -0.000 0.000 0.227 438 L C 0.875 177.769 176.870 0.039 0.000 1.146 438 L CA 0.642 55.513 54.840 0.052 0.000 0.858 438 L CB -0.121 41.972 42.059 0.058 0.000 0.969 438 L HN 0.532 nan 8.230 nan 0.000 0.451 439 N N -0.598 118.122 118.700 0.033 0.000 2.257 439 N HA 0.237 4.977 4.740 -0.000 0.000 0.200 439 N C 0.266 175.791 175.510 0.025 0.000 1.163 439 N CA -0.020 53.046 53.050 0.027 0.000 0.891 439 N CB 0.922 39.422 38.487 0.023 0.000 1.067 439 N HN 0.137 nan 8.380 nan 0.000 0.497 440 A N 1.824 124.660 122.820 0.027 0.000 2.353 440 A HA 0.513 4.833 4.320 -0.000 0.000 0.299 440 A C -2.618 174.980 177.584 0.023 0.000 1.089 440 A CA -1.477 50.575 52.037 0.024 0.000 0.736 440 A CB 1.288 20.303 19.000 0.025 0.000 1.195 440 A HN -0.125 nan 8.150 nan 0.000 0.447 441 P HA 0.520 nan 4.420 nan 0.000 0.276 441 P C -0.410 176.886 177.300 -0.007 0.000 1.261 441 P CA -0.145 62.960 63.100 0.008 0.000 0.800 441 P CB 1.387 33.092 31.700 0.009 0.000 1.066 442 A N 0.505 123.297 122.820 -0.046 0.000 2.414 442 A HA 0.542 4.862 4.320 -0.000 0.000 0.306 442 A C -0.372 177.094 177.584 -0.196 0.000 1.054 442 A CA -0.556 51.430 52.037 -0.085 0.000 0.724 442 A CB 0.929 19.872 19.000 -0.094 0.000 1.267 442 A HN 0.366 nan 8.150 nan 0.000 0.418 443 S N 2.253 117.855 115.700 -0.163 0.000 2.411 443 S HA 0.371 4.841 4.470 -0.000 0.000 0.294 443 S C -0.106 174.246 174.600 -0.413 0.000 1.115 443 S CA -0.319 57.745 58.200 -0.227 0.000 1.071 443 S CB -0.062 63.089 63.200 -0.082 0.000 0.967 443 S HN 0.458 nan 8.310 nan 0.000 0.488 444 I N 4.537 124.632 120.570 -0.791 0.000 2.287 444 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 444 I C 0.574 176.323 176.117 -0.614 0.000 1.069 444 I CA -0.209 60.400 61.300 -1.152 0.000 1.237 444 I CB -0.219 36.650 38.000 -1.884 0.000 1.418 444 I HN 0.555 nan 8.210 nan 0.000 0.481 445 S N 2.621 118.244 115.700 -0.128 0.000 2.542 445 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 445 S C 0.616 175.375 174.600 0.264 0.000 1.089 445 S CA -0.081 58.148 58.200 0.048 0.000 0.961 445 S CB 2.252 65.489 63.200 0.061 0.000 1.062 445 S HN 1.085 nan 8.310 nan 0.000 0.483 446 G N 0.077 108.987 108.800 0.184 0.000 2.143 446 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 446 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 446 G C -0.244 174.816 174.900 0.267 0.000 0.981 446 G CA 0.172 45.393 45.100 0.203 0.000 0.665 446 G HN 1.215 nan 8.290 nan 0.000 0.528 447 L N 1.226 122.614 121.223 0.275 0.000 2.360 447 L HA 0.669 5.009 4.340 -0.000 0.000 0.276 447 L C 0.183 177.152 176.870 0.166 0.000 1.121 447 L CA -0.429 54.587 54.840 0.294 0.000 0.845 447 L CB 1.436 43.625 42.059 0.218 0.000 1.143 447 L HN 0.103 nan 8.230 nan 0.000 0.452 448 V N 4.644 124.649 119.914 0.151 0.000 2.604 448 V HA 0.779 4.899 4.120 -0.000 0.000 0.305 448 V C 0.201 176.340 176.094 0.075 0.000 1.043 448 V CA 0.027 62.379 62.300 0.087 0.000 0.888 448 V CB 1.879 33.746 31.823 0.073 0.000 0.995 448 V HN 1.005 nan 8.190 nan 0.000 0.429 449 T N 0.115 114.688 114.554 0.032 0.000 2.716 449 T HA 0.382 4.732 4.350 -0.000 0.000 0.286 449 T C 0.354 175.051 174.700 -0.006 0.000 1.052 449 T CA -0.338 61.773 62.100 0.017 0.000 1.024 449 T CB 1.881 70.735 68.868 -0.024 0.000 1.349 449 T HN 0.294 nan 8.240 nan 0.000 0.525 450 S N -0.103 115.591 115.700 -0.011 0.000 2.577 450 S HA 0.335 4.805 4.470 -0.000 0.000 0.219 450 S C 0.541 175.099 174.600 -0.070 0.000 0.962 450 S CA -0.475 57.715 58.200 -0.017 0.000 0.921 450 S CB -0.638 62.573 63.200 0.018 0.000 0.789 450 S HN 0.455 nan 8.310 nan 0.000 0.497 451 L N 2.955 124.103 121.223 -0.125 0.000 2.416 451 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 451 L C -2.324 174.439 176.870 -0.177 0.000 1.161 451 L CA -1.835 52.865 54.840 -0.233 0.000 0.845 451 L CB 0.072 41.862 42.059 -0.449 0.000 1.119 451 L HN -0.056 nan 8.230 nan 0.000 0.464 452 P HA -0.008 nan 4.420 nan 0.000 0.272 452 P C -0.866 176.422 177.300 -0.020 0.000 1.230 452 P CA -0.468 62.513 63.100 -0.199 0.000 0.788 452 P CB 0.417 31.859 31.700 -0.431 0.000 0.949 453 Q N 0.887 120.666 119.800 -0.036 0.000 2.304 453 Q HA 0.360 4.700 4.340 -0.000 0.000 0.301 453 Q C 0.148 176.125 176.000 -0.038 0.000 1.063 453 Q CA 0.831 56.625 55.803 -0.014 0.000 0.947 453 Q CB -0.303 28.415 28.738 -0.032 0.000 1.201 453 Q HN 0.715 nan 8.270 nan 0.000 0.389 454 G N 1.391 110.160 108.800 -0.052 0.000 2.359 454 G HA2 0.109 4.069 3.960 -0.000 0.000 0.293 454 G HA3 0.109 4.069 3.960 -0.000 0.000 0.293 454 G C -1.674 173.068 174.900 -0.264 0.000 1.300 454 G CA -0.295 44.682 45.100 -0.206 0.000 0.888 454 G HN 0.576 nan 8.290 nan 0.000 0.541 455 S N -0.694 114.774 115.700 -0.387 0.000 2.449 455 S HA 0.770 5.240 4.470 -0.000 0.000 0.310 455 S C -1.293 173.037 174.600 -0.451 0.000 1.096 455 S CA -0.537 57.488 58.200 -0.292 0.000 1.095 455 S CB 0.480 63.575 63.200 -0.176 0.000 1.007 455 S HN 0.535 nan 8.310 nan 0.000 0.474 456 Y N 3.635 123.861 120.300 -0.123 0.000 2.341 456 Y HA 0.436 4.986 4.550 -0.000 0.000 0.338 456 Y C 0.673 176.619 175.900 0.077 0.000 0.965 456 Y CA -1.064 57.024 58.100 -0.021 0.000 1.108 456 Y CB 1.151 39.594 38.460 -0.028 0.000 1.180 456 Y HN 0.566 nan 8.280 nan 0.000 0.458 457 N N 1.881 120.724 118.700 0.238 0.000 2.530 457 N HA 0.010 4.750 4.740 -0.000 0.000 0.277 457 N C -0.830 174.860 175.510 0.300 0.000 1.168 457 N CA -0.351 52.826 53.050 0.211 0.000 0.979 457 N CB 0.893 39.441 38.487 0.103 0.000 1.141 457 N HN 0.690 nan 8.380 nan 0.000 0.459 458 D N 0.880 121.412 120.400 0.220 0.000 2.401 458 D HA -0.002 4.638 4.640 -0.000 0.000 0.254 458 D C 1.052 177.335 176.300 -0.028 0.000 1.192 458 D CA -0.178 53.831 54.000 0.015 0.000 0.885 458 D CB 0.798 41.586 40.800 -0.020 0.000 1.147 458 D HN 0.133 nan 8.370 nan 0.000 0.478 459 V N 4.408 124.269 119.914 -0.089 0.000 2.594 459 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 459 V C 2.208 178.259 176.094 -0.071 0.000 1.069 459 V CA 1.276 63.538 62.300 -0.063 0.000 1.082 459 V CB -0.516 31.256 31.823 -0.085 0.000 0.680 459 V HN 0.648 nan 8.190 nan 0.000 0.469 460 L N 0.508 121.670 121.223 -0.102 0.000 2.610 460 L HA 0.191 4.531 4.340 -0.000 0.000 0.232 460 L C 1.780 178.625 176.870 -0.043 0.000 1.149 460 L CA 0.773 55.566 54.840 -0.078 0.000 0.872 460 L CB -0.779 41.220 42.059 -0.099 0.000 0.992 460 L HN 0.537 nan 8.230 nan 0.000 0.447 461 G N 0.230 109.012 108.800 -0.030 0.000 2.283 461 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 461 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 461 G C 1.020 175.920 174.900 0.000 0.000 1.029 461 G CA 0.434 45.531 45.100 -0.005 0.000 0.840 461 G HN 0.684 nan 8.290 nan 0.000 0.505 462 G N -1.784 107.012 108.800 -0.006 0.000 2.179 462 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 462 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 462 G C 1.235 176.137 174.900 0.003 0.000 0.977 462 G CA 1.075 46.178 45.100 0.005 0.000 0.641 462 G HN 1.614 nan 8.290 nan 0.000 0.533 463 L N 0.096 121.316 121.223 -0.005 0.000 2.043 463 L HA 0.138 4.477 4.340 -0.000 0.000 0.212 463 L C 1.975 178.849 176.870 0.007 0.000 1.075 463 L CA 2.320 57.162 54.840 0.003 0.000 0.752 463 L CB -0.133 41.925 42.059 -0.001 0.000 0.891 463 L HN 0.423 nan 8.230 nan 0.000 0.432 464 L N -0.053 121.167 121.223 -0.006 0.000 3.034 464 L HA 0.249 4.589 4.340 -0.000 0.000 0.245 464 L C 0.177 177.052 176.870 0.008 0.000 1.295 464 L CA -0.167 54.675 54.840 0.002 0.000 1.068 464 L CB -0.668 41.384 42.059 -0.012 0.000 1.426 464 L HN 0.334 nan 8.230 nan 0.000 0.531 465 N N -0.355 118.354 118.700 0.015 0.000 2.747 465 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 465 N C 0.647 176.178 175.510 0.036 0.000 1.107 465 N CA 0.763 53.831 53.050 0.029 0.000 0.707 465 N CB -1.005 37.504 38.487 0.037 0.000 1.054 465 N HN 0.612 nan 8.380 nan 0.000 0.555 466 G N -0.033 108.775 108.800 0.012 0.000 2.621 466 G HA2 0.478 4.438 3.960 -0.000 0.000 0.271 466 G HA3 0.478 4.438 3.960 -0.000 0.000 0.271 466 G C 0.152 175.098 174.900 0.077 0.000 1.236 466 G CA -0.151 44.957 45.100 0.012 0.000 0.958 466 G HN 0.424 nan 8.290 nan 0.000 0.512 467 N N -1.720 117.076 118.700 0.159 0.000 2.697 467 N HA 0.310 5.050 4.740 -0.000 0.000 0.272 467 N C -0.926 174.745 175.510 0.268 0.000 1.381 467 N CA -0.599 52.552 53.050 0.168 0.000 0.797 467 N CB 1.229 39.801 38.487 0.141 0.000 1.523 467 N HN 0.322 nan 8.380 nan 0.000 0.518 468 T N 0.769 115.394 114.554 0.119 0.000 2.899 468 T HA 0.320 4.670 4.350 -0.000 0.000 0.295 468 T C -0.123 174.430 174.700 -0.245 0.000 1.033 468 T CA -0.204 61.932 62.100 0.061 0.000 1.084 468 T CB 0.364 69.233 68.868 0.001 0.000 0.979 468 T HN 0.382 nan 8.240 nan 0.000 0.532 469 L N 2.269 123.179 121.223 -0.521 0.000 2.341 469 L HA 0.551 4.891 4.340 -0.000 0.000 0.278 469 L C -0.473 176.147 176.870 -0.417 0.000 1.005 469 L CA -0.063 54.232 54.840 -0.908 0.000 0.818 469 L CB 1.933 42.862 42.059 -1.883 0.000 1.259 469 L HN 0.533 nan 8.230 nan 0.000 0.418 470 S N 3.828 119.333 115.700 -0.325 0.000 2.438 470 S HA 0.627 5.097 4.470 -0.000 0.000 0.316 470 S C -0.698 173.832 174.600 -0.117 0.000 1.084 470 S CA -0.548 57.558 58.200 -0.157 0.000 1.107 470 S CB 1.246 64.381 63.200 -0.109 0.000 0.981 470 S HN 0.385 nan 8.310 nan 0.000 0.466 471 V N 3.433 123.321 119.914 -0.043 0.000 2.398 471 V HA 0.667 4.787 4.120 -0.000 0.000 0.286 471 V C 0.949 177.035 176.094 -0.013 0.000 1.026 471 V CA -0.465 61.824 62.300 -0.020 0.000 0.868 471 V CB 1.397 33.249 31.823 0.048 0.000 0.982 471 V HN 0.909 nan 8.190 nan 0.000 0.443 472 G N 3.095 111.885 108.800 -0.018 0.000 2.641 472 G HA2 0.489 4.449 3.960 -0.000 0.000 0.239 472 G HA3 0.489 4.449 3.960 -0.000 0.000 0.239 472 G C 0.247 175.139 174.900 -0.014 0.000 1.402 472 G CA -0.050 45.040 45.100 -0.016 0.000 1.046 472 G HN 0.852 nan 8.290 nan 0.000 0.565 473 S N -1.708 113.984 115.700 -0.012 0.000 2.579 473 S HA 0.420 4.890 4.470 -0.000 0.000 0.275 473 S C 1.345 175.941 174.600 -0.008 0.000 1.345 473 S CA 0.653 58.845 58.200 -0.012 0.000 1.031 473 S CB 0.923 64.118 63.200 -0.009 0.000 0.892 473 S HN 2.389 nan 8.310 nan 0.000 0.529 474 G N 0.957 109.751 108.800 -0.010 0.000 2.168 474 G HA2 0.068 4.028 3.960 -0.000 0.000 0.263 474 G HA3 0.068 4.028 3.960 -0.000 0.000 0.263 474 G C 1.197 176.093 174.900 -0.005 0.000 0.977 474 G CA 0.550 45.647 45.100 -0.005 0.000 0.659 474 G HN 2.438 nan 8.290 nan 0.000 0.533 475 G N -1.292 107.499 108.800 -0.015 0.000 2.155 475 G HA2 0.166 4.126 3.960 -0.000 0.000 0.257 475 G HA3 0.166 4.126 3.960 -0.000 0.000 0.257 475 G C 0.711 175.604 174.900 -0.012 0.000 0.983 475 G CA 1.207 46.294 45.100 -0.023 0.000 0.676 475 G HN 2.334 nan 8.290 nan 0.000 0.528 476 A N -0.006 122.814 122.820 -0.001 0.000 2.404 476 A HA 0.818 5.138 4.320 -0.000 0.000 0.273 476 A C 0.806 178.391 177.584 0.002 0.000 1.144 476 A CA 0.895 52.940 52.037 0.014 0.000 0.806 476 A CB 0.560 19.573 19.000 0.021 0.000 1.080 476 A HN 2.033 nan 8.150 nan 0.000 0.509 477 A N 3.074 125.900 122.820 0.010 0.000 2.327 477 A HA 0.597 4.917 4.320 -0.000 0.000 0.283 477 A C 0.741 178.348 177.584 0.038 0.000 1.127 477 A CA -0.328 51.701 52.037 -0.013 0.000 0.810 477 A CB 0.149 19.130 19.000 -0.032 0.000 1.066 477 A HN 0.882 nan 8.150 nan 0.000 0.492 478 S N 1.418 117.128 115.700 0.018 0.000 2.572 478 S HA 0.060 4.530 4.470 -0.000 0.000 0.279 478 S C 0.499 175.174 174.600 0.126 0.000 1.341 478 S CA -0.301 57.926 58.200 0.045 0.000 1.043 478 S CB 0.041 63.249 63.200 0.013 0.000 0.887 478 S HN 0.782 nan 8.310 nan 0.000 0.516 479 N N 1.495 120.243 118.700 0.079 0.000 2.356 479 N HA 0.276 5.016 4.740 -0.000 0.000 0.252 479 N C -0.588 174.999 175.510 0.129 0.000 1.241 479 N CA 0.441 53.516 53.050 0.042 0.000 0.861 479 N CB 0.068 38.557 38.487 0.002 0.000 1.075 479 N HN 0.524 nan 8.380 nan 0.000 0.461 480 F N -1.804 118.091 119.950 -0.093 0.000 2.686 480 F HA 0.479 5.006 4.527 -0.000 0.000 0.311 480 F C -0.843 174.909 175.800 -0.081 0.000 1.128 480 F CA -1.150 56.802 58.000 -0.080 0.000 0.946 480 F CB 0.909 39.853 39.000 -0.092 0.000 1.336 480 F HN 0.039 nan 8.300 nan 0.000 0.457 481 T N 3.257 117.863 114.554 0.086 0.000 2.767 481 T HA 0.482 4.832 4.350 -0.000 0.000 0.288 481 T C -0.953 173.817 174.700 0.117 0.000 0.963 481 T CA -0.261 61.828 62.100 -0.017 0.000 1.019 481 T CB 1.068 69.953 68.868 0.028 0.000 0.923 481 T HN 0.669 nan 8.240 nan 0.000 0.468 482 L N 4.676 125.883 121.223 -0.026 0.000 2.259 482 L HA 0.650 4.990 4.340 -0.000 0.000 0.288 482 L C 0.529 177.431 176.870 0.053 0.000 1.051 482 L CA -0.449 54.451 54.840 0.100 0.000 0.824 482 L CB -0.357 41.708 42.059 0.011 0.000 1.206 482 L HN 0.773 nan 8.230 nan 0.000 0.429 483 A N 4.457 127.328 122.820 0.085 0.000 2.492 483 A HA 0.512 4.832 4.320 -0.000 0.000 0.236 483 A C 0.617 178.229 177.584 0.048 0.000 1.078 483 A CA 0.203 52.275 52.037 0.058 0.000 0.773 483 A CB -0.146 18.892 19.000 0.062 0.000 1.023 483 A HN 1.152 nan 8.150 nan 0.000 0.504 484 A N 0.325 123.169 122.820 0.040 0.000 2.520 484 A HA 0.475 4.795 4.320 -0.000 0.000 0.245 484 A C 1.676 179.290 177.584 0.050 0.000 1.072 484 A CA 0.770 52.832 52.037 0.041 0.000 0.761 484 A CB -1.003 18.018 19.000 0.036 0.000 1.004 484 A HN 2.777 nan 8.150 nan 0.000 0.499 485 G N 1.898 110.734 108.800 0.061 0.000 2.175 485 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.265 485 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.265 485 G C 0.887 175.828 174.900 0.067 0.000 0.979 485 G CA 0.752 45.896 45.100 0.073 0.000 0.663 485 G HN 1.990 nan 8.290 nan 0.000 0.533 486 G N -0.611 108.226 108.800 0.063 0.000 2.441 486 G HA2 0.535 4.495 3.960 -0.000 0.000 0.243 486 G HA3 0.535 4.495 3.960 -0.000 0.000 0.243 486 G C -0.097 174.829 174.900 0.044 0.000 1.281 486 G CA 0.952 46.085 45.100 0.055 0.000 0.854 486 G HN 0.753 nan 8.290 nan 0.000 0.560 487 T N 0.480 115.034 114.554 -0.000 0.000 3.011 487 T HA 0.644 4.994 4.350 -0.000 0.000 0.303 487 T C -0.276 174.328 174.700 -0.160 0.000 0.997 487 T CA -0.008 62.061 62.100 -0.051 0.000 1.007 487 T CB 1.640 70.490 68.868 -0.031 0.000 1.017 487 T HN 1.075 nan 8.240 nan 0.000 0.443 488 A N 2.486 125.107 122.820 -0.331 0.000 2.498 488 A HA 0.924 5.244 4.320 -0.000 0.000 0.298 488 A C -1.262 175.757 177.584 -0.942 0.000 1.075 488 A CA -0.733 50.920 52.037 -0.639 0.000 0.714 488 A CB 1.665 20.190 19.000 -0.791 0.000 1.299 488 A HN 0.654 nan 8.150 nan 0.000 0.407 489 V N 2.032 121.383 119.914 -0.938 0.000 2.525 489 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 489 V C -1.245 174.427 176.094 -0.705 0.000 1.034 489 V CA -0.502 61.360 62.300 -0.729 0.000 0.863 489 V CB 1.408 33.014 31.823 -0.362 0.000 0.999 489 V HN 0.821 nan 8.190 nan 0.000 0.423 490 W N 4.057 125.289 121.300 -0.114 0.000 2.702 490 W HA 0.770 5.430 4.660 -0.000 0.000 0.331 490 W C -0.254 176.192 176.519 -0.122 0.000 1.049 490 W CA -0.734 56.547 57.345 -0.107 0.000 1.230 490 W CB 2.155 31.497 29.460 -0.197 0.000 1.408 490 W HN 0.713 nan 8.180 nan 0.000 0.492 491 Q N 1.285 121.188 119.800 0.171 0.000 2.511 491 Q HA 0.704 5.044 4.340 -0.000 0.000 0.289 491 Q C -2.106 174.054 176.000 0.268 0.000 1.021 491 Q CA -1.033 54.845 55.803 0.125 0.000 0.785 491 Q CB 3.199 31.977 28.738 0.066 0.000 1.472 491 Q HN 0.332 nan 8.270 nan 0.000 0.411 492 Y N 0.332 120.679 120.300 0.078 0.000 2.441 492 Y HA 0.683 5.233 4.550 -0.000 0.000 0.334 492 Y C -1.695 174.252 175.900 0.078 0.000 1.061 492 Y CA -0.140 58.041 58.100 0.135 0.000 1.032 492 Y CB 2.292 40.847 38.460 0.158 0.000 1.266 492 Y HN 0.990 nan 8.280 nan 0.000 0.441 493 T N 2.457 116.658 114.554 -0.589 0.000 2.893 493 T HA 1.008 5.358 4.350 -0.000 0.000 0.291 493 T C -0.836 173.436 174.700 -0.714 0.000 1.028 493 T CA -0.331 61.477 62.100 -0.487 0.000 0.995 493 T CB 1.765 70.503 68.868 -0.218 0.000 1.051 493 T HN 1.393 nan 8.240 nan 0.000 0.470 494 A N 1.105 123.674 122.820 -0.420 0.000 2.597 494 A HA 0.874 5.194 4.320 -0.000 0.000 0.292 494 A C -0.228 177.293 177.584 -0.106 0.000 1.057 494 A CA -0.706 51.174 52.037 -0.262 0.000 0.674 494 A CB 0.588 19.457 19.000 -0.220 0.000 1.278 494 A HN 1.746 nan 8.150 nan 0.000 0.416 495 A N 0.534 123.319 122.820 -0.059 0.000 2.531 495 A HA 0.543 4.863 4.320 -0.000 0.000 0.236 495 A C 0.434 178.003 177.584 -0.024 0.000 1.062 495 A CA 0.825 52.841 52.037 -0.035 0.000 0.760 495 A CB -0.393 18.596 19.000 -0.019 0.000 0.995 495 A HN 1.074 nan 8.150 nan 0.000 0.501 496 T N 2.406 116.937 114.554 -0.038 0.000 2.749 496 T HA 0.459 4.809 4.350 -0.000 0.000 0.287 496 T C 1.335 176.014 174.700 -0.036 0.000 0.970 496 T CA 0.227 62.296 62.100 -0.052 0.000 0.980 496 T CB 1.528 70.329 68.868 -0.111 0.000 0.924 496 T HN 0.873 nan 8.240 nan 0.000 0.456 497 A N 3.506 126.316 122.820 -0.017 0.000 1.929 497 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 497 A C 1.377 178.968 177.584 0.011 0.000 1.176 497 A CA 0.793 52.832 52.037 0.004 0.000 0.628 497 A CB -0.290 18.717 19.000 0.011 0.000 0.816 497 A HN 0.662 nan 8.150 nan 0.000 0.444 498 T N 1.808 116.358 114.554 -0.007 0.000 2.845 498 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 498 T C -2.757 171.950 174.700 0.012 0.000 0.980 498 T CA -1.136 60.971 62.100 0.012 0.000 1.071 498 T CB 1.304 70.170 68.868 -0.004 0.000 0.941 498 T HN -0.011 nan 8.240 nan 0.000 0.487 499 P HA 0.180 nan 4.420 nan 0.000 0.263 499 P C -0.735 176.633 177.300 0.113 0.000 1.195 499 P CA 0.060 63.276 63.100 0.193 0.000 0.762 499 P CB 0.253 32.152 31.700 0.332 0.000 0.799 500 T N 4.600 119.166 114.554 0.020 0.000 2.949 500 T HA 0.448 4.798 4.350 -0.000 0.000 0.300 500 T C 0.103 174.903 174.700 0.167 0.000 0.988 500 T CA -0.406 61.671 62.100 -0.039 0.000 0.993 500 T CB 0.490 69.100 68.868 -0.429 0.000 0.984 500 T HN 0.157 nan 8.240 nan 0.000 0.442 501 I N 2.499 123.239 120.570 0.284 0.000 2.371 501 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 501 I C 1.339 177.651 176.117 0.325 0.000 1.028 501 I CA -0.008 61.469 61.300 0.296 0.000 1.345 501 I CB 1.260 39.355 38.000 0.157 0.000 1.407 501 I HN 0.893 nan 8.210 nan 0.000 0.501 502 G N 4.944 113.741 108.800 -0.005 0.000 2.784 502 G HA2 0.054 4.013 3.960 -0.000 0.000 0.208 502 G HA3 0.054 4.013 3.960 -0.000 0.000 0.208 502 G C 0.277 174.916 174.900 -0.434 0.000 1.120 502 G CA 0.280 45.127 45.100 -0.420 0.000 0.774 502 G HN 0.625 nan 8.290 nan 0.000 0.528 503 H N -1.025 117.637 119.070 -0.680 0.000 3.094 503 H HA 0.483 5.039 4.556 -0.000 0.000 0.346 503 H C -2.163 172.740 175.328 -0.709 0.000 1.238 503 H CA -0.250 55.438 56.048 -0.599 0.000 1.209 503 H CB 2.187 31.744 29.762 -0.341 0.000 1.911 503 H HN -0.098 nan 8.280 nan 0.000 0.540 504 V N 2.194 121.408 119.914 -1.168 0.000 2.760 504 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 504 V C 0.009 175.904 176.094 -0.332 0.000 1.077 504 V CA -0.144 61.788 62.300 -0.612 0.000 0.910 504 V CB 1.872 33.332 31.823 -0.606 0.000 1.008 504 V HN 0.927 nan 8.190 nan 0.000 0.424 505 G N 4.308 113.116 108.800 0.014 0.000 2.755 505 G HA2 0.705 4.665 3.960 -0.000 0.000 0.297 505 G HA3 0.705 4.665 3.960 -0.000 0.000 0.297 505 G C -3.405 171.615 174.900 0.200 0.000 1.441 505 G CA -1.024 44.190 45.100 0.191 0.000 0.964 505 G HN 0.489 nan 8.290 nan 0.000 0.540 506 P HA 0.236 nan 4.420 nan 0.000 0.274 506 P C 0.272 177.727 177.300 0.257 0.000 1.256 506 P CA -0.384 62.840 63.100 0.207 0.000 0.795 506 P CB 1.248 33.034 31.700 0.143 0.000 1.038 507 M N -0.260 119.413 119.600 0.122 0.000 2.383 507 M HA 0.286 4.766 4.480 -0.000 0.000 0.247 507 M C 0.528 176.562 176.300 -0.443 0.000 1.117 507 M CA 0.354 55.660 55.300 0.011 0.000 0.995 507 M CB -0.606 32.037 32.600 0.072 0.000 1.480 507 M HN 0.446 nan 8.290 nan 0.000 0.485 508 M N 0.866 120.264 119.600 -0.337 0.000 2.234 508 M HA 0.599 5.079 4.480 -0.000 0.000 0.267 508 M C -2.111 174.077 176.300 -0.186 0.000 1.022 508 M CA -0.190 54.890 55.300 -0.367 0.000 0.993 508 M CB 1.965 34.440 32.600 -0.208 0.000 1.836 508 M HN 0.046 nan 8.290 nan 0.000 0.479 509 A N 3.719 126.441 122.820 -0.162 0.000 2.566 509 A HA 0.635 4.955 4.320 -0.000 0.000 0.290 509 A C -1.848 175.745 177.584 0.014 0.000 1.071 509 A CA -0.978 51.049 52.037 -0.016 0.000 0.658 509 A CB 1.588 20.635 19.000 0.079 0.000 1.285 509 A HN 0.862 nan 8.150 nan 0.000 0.427 510 K N 0.123 120.533 120.400 0.016 0.000 2.090 510 K HA 0.665 4.985 4.320 -0.000 0.000 0.250 510 K C -2.721 173.881 176.600 0.004 0.000 1.004 510 K CA -1.540 54.752 56.287 0.008 0.000 0.919 510 K CB 0.333 32.832 32.500 -0.001 0.000 1.045 510 K HN 0.267 nan 8.250 nan 0.000 0.471 511 P HA -0.024 nan 4.420 nan 0.000 0.267 511 P C 0.491 177.756 177.300 -0.058 0.000 1.200 511 P CA 1.185 64.238 63.100 -0.078 0.000 0.772 511 P CB 0.577 32.222 31.700 -0.092 0.000 0.855 512 G N 0.169 108.921 108.800 -0.080 0.000 2.284 512 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.230 512 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.230 512 G C 0.144 175.025 174.900 -0.032 0.000 1.021 512 G CA -0.051 45.017 45.100 -0.054 0.000 0.619 512 G HN 0.549 nan 8.290 nan 0.000 0.510 513 V N 2.228 122.136 119.914 -0.011 0.000 2.811 513 V HA 0.473 4.593 4.120 -0.000 0.000 0.302 513 V C 0.978 177.085 176.094 0.022 0.000 1.063 513 V CA 0.708 63.017 62.300 0.015 0.000 1.088 513 V CB 1.470 33.321 31.823 0.047 0.000 0.982 513 V HN 0.333 nan 8.190 nan 0.000 0.485 514 T N 6.301 120.868 114.554 0.020 0.000 2.771 514 T HA 0.556 4.906 4.350 -0.000 0.000 0.291 514 T C -0.076 174.656 174.700 0.052 0.000 0.954 514 T CA -0.029 62.084 62.100 0.022 0.000 1.045 514 T CB 0.336 69.206 68.868 0.003 0.000 0.917 514 T HN 0.590 nan 8.240 nan 0.000 0.484 515 I N 0.083 120.688 120.570 0.058 0.000 2.750 515 I HA 0.735 4.905 4.170 -0.000 0.000 0.308 515 I C -0.367 175.753 176.117 0.006 0.000 1.016 515 I CA -0.812 60.530 61.300 0.069 0.000 1.098 515 I CB 2.045 40.097 38.000 0.087 0.000 1.279 515 I HN 0.307 nan 8.210 nan 0.000 0.454 516 T N 5.444 120.003 114.554 0.009 0.000 2.770 516 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 516 T C -0.196 174.455 174.700 -0.083 0.000 0.988 516 T CA -0.181 61.902 62.100 -0.028 0.000 0.957 516 T CB 0.802 69.684 68.868 0.022 0.000 0.930 516 T HN 0.373 nan 8.240 nan 0.000 0.443 517 I N 3.783 124.251 120.570 -0.170 0.000 2.328 517 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 517 I C -0.345 175.700 176.117 -0.120 0.000 1.012 517 I CA -0.730 60.422 61.300 -0.246 0.000 1.195 517 I CB 1.099 38.847 38.000 -0.421 0.000 1.350 517 I HN 0.469 nan 8.210 nan 0.000 0.464 518 D N 4.795 125.154 120.400 -0.068 0.000 2.252 518 D HA 0.778 5.418 4.640 -0.000 0.000 0.245 518 D C 0.265 176.510 176.300 -0.092 0.000 1.009 518 D CA -0.051 53.941 54.000 -0.013 0.000 0.870 518 D CB 2.632 43.370 40.800 -0.104 0.000 1.251 518 D HN 0.756 nan 8.370 nan 0.000 0.460 519 G N 0.450 109.158 108.800 -0.153 0.000 2.441 519 G HA2 0.270 4.230 3.960 -0.000 0.000 0.225 519 G HA3 0.270 4.230 3.960 -0.000 0.000 0.225 519 G C -1.322 173.340 174.900 -0.396 0.000 1.200 519 G CA -0.609 44.347 45.100 -0.240 0.000 0.947 519 G HN 0.299 nan 8.290 nan 0.000 0.484 520 R N -0.896 119.310 120.500 -0.490 0.000 2.774 520 R HA 0.626 4.966 4.340 -0.000 0.000 0.272 520 R C 0.537 176.510 176.300 -0.545 0.000 1.000 520 R CA -0.035 55.812 56.100 -0.421 0.000 0.906 520 R CB 1.250 31.528 30.300 -0.037 0.000 1.227 520 R HN 2.230 nan 8.270 nan 0.000 0.468 521 G N 0.994 109.603 108.800 -0.318 0.000 2.147 521 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 521 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 521 G C 0.258 175.189 174.900 0.051 0.000 1.005 521 G CA 0.311 45.339 45.100 -0.120 0.000 0.713 521 G HN 0.439 nan 8.290 nan 0.000 0.515 522 F N 0.951 120.936 119.950 0.057 0.000 2.456 522 F HA 0.392 4.919 4.527 -0.000 0.000 0.298 522 F C 2.036 178.087 175.800 0.418 0.000 1.104 522 F CA 1.055 59.136 58.000 0.135 0.000 1.435 522 F CB -0.642 38.210 39.000 -0.246 0.000 1.078 522 F HN 1.148 nan 8.300 nan 0.000 0.546 523 G N -0.141 108.917 108.800 0.429 0.000 2.746 523 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.685 523 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.685 523 G C 0.692 175.848 174.900 0.428 0.000 1.350 523 G CA -0.102 45.209 45.100 0.352 0.000 0.837 523 G HN 0.414 nan 8.290 nan 0.000 0.564 524 S N -1.344 114.505 115.700 0.248 0.000 2.486 524 S HA 0.411 4.881 4.470 -0.000 0.000 0.220 524 S C 1.142 175.829 174.600 0.145 0.000 1.011 524 S CA 1.237 59.571 58.200 0.223 0.000 0.921 524 S CB 0.300 63.571 63.200 0.119 0.000 0.785 524 S HN 1.242 nan 8.310 nan 0.000 0.517 525 S N 2.076 117.773 115.700 -0.005 0.000 2.525 525 S HA 0.360 4.830 4.470 -0.000 0.000 0.278 525 S C -0.183 174.016 174.600 -0.670 0.000 1.234 525 S CA -0.740 57.338 58.200 -0.204 0.000 1.058 525 S CB 0.889 63.993 63.200 -0.160 0.000 0.983 525 S HN 0.333 nan 8.310 nan 0.000 0.495 526 K N 1.696 121.678 120.400 -0.697 0.000 2.511 526 K HA 0.124 4.444 4.320 -0.000 0.000 0.280 526 K C 0.889 176.739 176.600 -1.250 0.000 1.008 526 K CA 0.042 55.655 56.287 -1.122 0.000 1.050 526 K CB 0.227 32.447 32.500 -0.466 0.000 0.889 526 K HN 0.749 nan 8.250 nan 0.000 0.484 527 G N 1.764 109.299 108.800 -2.109 0.000 3.310 527 G HA2 0.318 4.278 3.960 -0.000 0.000 0.176 527 G HA3 0.318 4.278 3.960 -0.000 0.000 0.176 527 G C -0.734 173.846 174.900 -0.532 0.000 1.307 527 G CA -0.209 44.250 45.100 -1.068 0.000 0.935 527 G HN 0.505 nan 8.290 nan 0.000 0.628 528 T N -0.457 113.999 114.554 -0.164 0.000 2.900 528 T HA 0.575 4.924 4.350 -0.000 0.000 0.295 528 T C -1.069 173.597 174.700 -0.057 0.000 1.044 528 T CA -0.258 61.753 62.100 -0.149 0.000 0.995 528 T CB 2.175 70.881 68.868 -0.270 0.000 1.072 528 T HN 0.301 nan 8.240 nan 0.000 0.473 529 V N 2.774 122.578 119.914 -0.184 0.000 2.495 529 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 529 V C -1.409 174.508 176.094 -0.296 0.000 1.031 529 V CA -0.893 61.321 62.300 -0.142 0.000 0.871 529 V CB 1.204 33.004 31.823 -0.037 0.000 0.988 529 V HN 0.820 nan 8.190 nan 0.000 0.432 530 Y N 3.595 123.847 120.300 -0.081 0.000 2.352 530 Y HA 0.641 5.191 4.550 0.000 0.000 0.339 530 Y C -0.493 175.295 175.900 -0.187 0.000 0.992 530 Y CA -0.911 57.176 58.100 -0.021 0.000 1.100 530 Y CB 1.622 40.084 38.460 0.003 0.000 1.192 530 Y HN 0.512 nan 8.280 nan 0.000 0.458 531 F N 2.467 122.476 119.950 0.099 0.000 2.359 531 F HA 0.554 5.081 4.527 -0.000 0.000 0.369 531 F C 0.901 176.857 175.800 0.259 0.000 1.084 531 F CA -0.424 57.604 58.000 0.047 0.000 1.096 531 F CB 0.868 39.747 39.000 -0.202 0.000 1.335 531 F HN 0.805 nan 8.300 nan 0.000 0.457 532 G N 2.140 111.198 108.800 0.431 0.000 2.531 532 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.274 532 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.274 532 G C 1.132 176.203 174.900 0.285 0.000 1.159 532 G CA 0.400 45.733 45.100 0.388 0.000 0.969 532 G HN 0.754 nan 8.290 nan 0.000 0.554 533 T N -1.850 112.860 114.554 0.259 0.000 3.081 533 T HA 0.345 4.695 4.350 -0.000 0.000 0.255 533 T C 1.213 176.081 174.700 0.279 0.000 1.113 533 T CA 1.640 63.872 62.100 0.219 0.000 1.082 533 T CB -0.120 68.837 68.868 0.148 0.000 0.939 533 T HN 0.816 nan 8.240 nan 0.000 0.506 534 T N 3.279 118.000 114.554 0.279 0.000 2.834 534 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 534 T C 0.192 175.007 174.700 0.192 0.000 0.966 534 T CA -0.259 61.964 62.100 0.205 0.000 1.141 534 T CB 0.582 69.537 68.868 0.145 0.000 0.905 534 T HN 0.550 nan 8.240 nan 0.000 0.535 535 A N 3.662 126.525 122.820 0.072 0.000 2.301 535 A HA 0.678 4.998 4.320 -0.000 0.000 0.312 535 A C -0.387 177.119 177.584 -0.130 0.000 1.182 535 A CA -0.607 51.334 52.037 -0.160 0.000 0.826 535 A CB 0.742 19.646 19.000 -0.160 0.000 1.134 535 A HN 0.671 nan 8.150 nan 0.000 0.501 536 V N 2.546 122.354 119.914 -0.176 0.000 2.487 536 V HA 0.726 4.846 4.120 -0.000 0.000 0.298 536 V C 0.039 176.063 176.094 -0.116 0.000 1.028 536 V CA 0.095 62.340 62.300 -0.091 0.000 0.860 536 V CB 1.425 33.253 31.823 0.009 0.000 0.991 536 V HN 1.284 nan 8.190 nan 0.000 0.427 537 S N 2.766 118.409 115.700 -0.096 0.000 2.625 537 S HA 0.969 5.439 4.470 -0.000 0.000 0.271 537 S C 0.052 174.606 174.600 -0.077 0.000 1.161 537 S CA 0.165 58.305 58.200 -0.101 0.000 0.820 537 S CB 1.722 64.842 63.200 -0.133 0.000 1.137 537 S HN 2.208 nan 8.310 nan 0.000 0.470 538 G N 1.386 110.135 108.800 -0.084 0.000 2.509 538 G HA2 0.101 4.061 3.960 -0.000 0.000 0.259 538 G HA3 0.101 4.061 3.960 -0.000 0.000 0.259 538 G C 1.074 175.948 174.900 -0.042 0.000 1.169 538 G CA 0.922 45.983 45.100 -0.066 0.000 0.953 538 G HN 1.984 nan 8.290 nan 0.000 0.563 539 A N -0.885 121.914 122.820 -0.036 0.000 1.917 539 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 539 A C 1.953 179.525 177.584 -0.020 0.000 1.182 539 A CA 2.853 54.874 52.037 -0.026 0.000 0.633 539 A CB -0.687 18.297 19.000 -0.027 0.000 0.819 539 A HN 0.738 nan 8.150 nan 0.000 0.448 540 D N -0.607 119.777 120.400 -0.027 0.000 2.350 540 D HA 0.019 4.659 4.640 -0.000 0.000 0.216 540 D C 0.384 176.681 176.300 -0.004 0.000 0.968 540 D CA 0.503 54.487 54.000 -0.027 0.000 0.894 540 D CB -0.192 40.579 40.800 -0.049 0.000 0.909 540 D HN 0.474 nan 8.370 nan 0.000 0.520 541 I N 1.238 121.817 120.570 0.014 0.000 2.278 541 I HA 0.002 4.172 4.170 -0.000 0.000 0.296 541 I C 1.250 177.398 176.117 0.052 0.000 1.121 541 I CA -0.105 61.231 61.300 0.059 0.000 1.267 541 I CB 1.024 39.092 38.000 0.113 0.000 1.447 541 I HN -0.152 nan 8.210 nan 0.000 0.509 542 T N 2.903 117.479 114.554 0.035 0.000 2.720 542 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 542 T C 0.776 175.503 174.700 0.045 0.000 1.037 542 T CA 1.426 63.542 62.100 0.026 0.000 1.144 542 T CB -0.076 68.799 68.868 0.011 0.000 0.864 542 T HN 0.720 nan 8.240 nan 0.000 0.444 543 S N -0.905 114.838 115.700 0.071 0.000 2.550 543 S HA 0.567 5.037 4.470 -0.000 0.000 0.270 543 S C -2.231 172.479 174.600 0.184 0.000 1.145 543 S CA -1.136 57.126 58.200 0.102 0.000 0.852 543 S CB 2.361 65.595 63.200 0.056 0.000 1.119 543 S HN 0.410 nan 8.310 nan 0.000 0.465 544 W N 2.925 124.215 121.300 -0.017 0.000 3.405 544 W HA 0.544 5.204 4.660 -0.000 0.000 0.329 544 W C -1.545 174.992 176.519 0.030 0.000 1.142 544 W CA -0.475 56.865 57.345 -0.009 0.000 1.235 544 W CB 1.629 31.071 29.460 -0.031 0.000 1.341 544 W HN 1.172 nan 8.180 nan 0.000 0.481 545 E N 1.671 121.966 120.200 0.158 0.000 2.458 545 E HA 0.230 4.580 4.350 -0.000 0.000 0.278 545 E C -0.374 176.315 176.600 0.149 0.000 1.004 545 E CA -0.587 55.945 56.400 0.219 0.000 0.823 545 E CB 1.721 31.494 29.700 0.121 0.000 1.396 545 E HN 0.164 nan 8.360 nan 0.000 0.463 546 D N -0.026 120.468 120.400 0.157 0.000 2.172 546 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 546 D C 1.651 177.905 176.300 -0.077 0.000 0.999 546 D CA 2.825 56.880 54.000 0.091 0.000 0.856 546 D CB 0.156 40.978 40.800 0.037 0.000 0.934 546 D HN 0.575 nan 8.370 nan 0.000 0.453 547 T N -3.742 110.790 114.554 -0.036 0.000 3.023 547 T HA 0.146 4.496 4.350 -0.000 0.000 0.253 547 T C 0.504 175.244 174.700 0.067 0.000 1.038 547 T CA -0.489 61.547 62.100 -0.106 0.000 0.962 547 T CB 0.433 69.265 68.868 -0.060 0.000 1.018 547 T HN 0.125 nan 8.240 nan 0.000 0.521 548 Q N 0.151 120.026 119.800 0.124 0.000 2.309 548 Q HA 0.646 4.986 4.340 -0.000 0.000 0.273 548 Q C -2.132 173.781 176.000 -0.145 0.000 1.040 548 Q CA -0.882 54.945 55.803 0.039 0.000 0.834 548 Q CB 2.076 30.809 28.738 -0.008 0.000 1.345 548 Q HN 0.454 nan 8.270 nan 0.000 0.414 549 I N 2.941 123.341 120.570 -0.283 0.000 2.498 549 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 549 I C -0.770 175.231 176.117 -0.194 0.000 1.032 549 I CA -0.978 60.091 61.300 -0.384 0.000 1.073 549 I CB 1.905 39.432 38.000 -0.789 0.000 1.251 549 I HN 0.297 nan 8.210 nan 0.000 0.426 550 K N 5.501 125.847 120.400 -0.089 0.000 2.307 550 K HA 0.669 4.989 4.320 -0.000 0.000 0.263 550 K C -1.228 175.364 176.600 -0.015 0.000 0.973 550 K CA -0.558 55.703 56.287 -0.043 0.000 0.846 550 K CB 2.447 34.937 32.500 -0.016 0.000 1.100 550 K HN 0.400 nan 8.250 nan 0.000 0.438 551 V N 2.717 122.623 119.914 -0.012 0.000 2.888 551 V HA 0.382 4.502 4.120 -0.000 0.000 0.309 551 V C -1.145 174.961 176.094 0.020 0.000 1.114 551 V CA -0.957 61.354 62.300 0.019 0.000 0.940 551 V CB 2.088 33.938 31.823 0.045 0.000 1.021 551 V HN 0.651 nan 8.190 nan 0.000 0.426 552 K N 5.712 126.104 120.400 -0.012 0.000 2.249 552 K HA 0.515 4.835 4.320 -0.000 0.000 0.280 552 K C -0.400 176.102 176.600 -0.164 0.000 1.033 552 K CA -0.297 55.956 56.287 -0.057 0.000 0.946 552 K CB 1.284 33.745 32.500 -0.064 0.000 1.005 552 K HN 0.601 nan 8.250 nan 0.000 0.469 553 I N 6.108 126.549 120.570 -0.215 0.000 2.598 553 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 553 I C -1.559 174.253 176.117 -0.508 0.000 1.140 553 I CA -1.593 59.390 61.300 -0.528 0.000 1.420 553 I CB 0.226 38.087 38.000 -0.232 0.000 1.387 553 I HN 0.393 nan 8.210 nan 0.000 0.553 554 P HA 0.051 nan 4.420 nan 0.000 0.272 554 P C -0.656 176.455 177.300 -0.314 0.000 1.230 554 P CA -0.534 62.307 63.100 -0.432 0.000 0.788 554 P CB 0.810 32.246 31.700 -0.439 0.000 0.949 555 A N 2.328 125.036 122.820 -0.187 0.000 3.026 555 A HA 0.366 4.686 4.320 -0.000 0.000 0.272 555 A C 0.713 178.239 177.584 -0.097 0.000 1.782 555 A CA -0.320 51.645 52.037 -0.120 0.000 1.451 555 A CB -1.537 17.418 19.000 -0.075 0.000 1.081 555 A HN 0.407 nan 8.150 nan 0.000 0.611 556 V N -1.407 118.430 119.914 -0.128 0.000 2.975 556 V HA 0.889 5.009 4.120 -0.000 0.000 0.318 556 V C 0.634 176.749 176.094 0.035 0.000 1.077 556 V CA -0.838 61.431 62.300 -0.052 0.000 1.000 556 V CB 0.931 32.667 31.823 -0.145 0.000 1.066 556 V HN 0.977 nan 8.190 nan 0.000 0.452 557 A N 1.454 124.356 122.820 0.136 0.000 2.483 557 A HA 0.556 4.876 4.320 -0.000 0.000 0.238 557 A C 0.979 178.695 177.584 0.220 0.000 1.070 557 A CA 0.399 52.527 52.037 0.150 0.000 0.770 557 A CB -0.556 18.534 19.000 0.150 0.000 1.008 557 A HN 2.058 nan 8.150 nan 0.000 0.497 558 G N -0.077 108.812 108.800 0.147 0.000 2.414 558 G HA2 0.569 4.529 3.960 -0.000 0.000 0.236 558 G HA3 0.569 4.529 3.960 -0.000 0.000 0.236 558 G C 0.434 175.460 174.900 0.210 0.000 1.293 558 G CA 0.586 45.782 45.100 0.159 0.000 0.869 558 G HN 1.941 nan 8.290 nan 0.000 0.556 559 G N 0.442 109.402 108.800 0.267 0.000 2.324 559 G HA2 0.282 4.242 3.960 -0.000 0.000 0.293 559 G HA3 0.282 4.242 3.960 -0.000 0.000 0.293 559 G C -1.355 173.667 174.900 0.203 0.000 1.297 559 G CA -0.892 44.300 45.100 0.152 0.000 0.853 559 G HN 0.821 nan 8.290 nan 0.000 0.535 560 N N -0.539 118.160 118.700 -0.001 0.000 2.419 560 N HA 0.704 5.444 4.740 -0.000 0.000 0.277 560 N C -1.365 174.131 175.510 -0.023 0.000 1.006 560 N CA -0.305 52.790 53.050 0.076 0.000 0.923 560 N CB 0.709 39.206 38.487 0.015 0.000 1.140 560 N HN 0.436 nan 8.380 nan 0.000 0.488 561 Y N 0.952 121.386 120.300 0.222 0.000 2.536 561 Y HA 0.443 4.993 4.550 0.000 0.000 0.347 561 Y C -0.000 176.016 175.900 0.193 0.000 1.000 561 Y CA -1.086 57.152 58.100 0.229 0.000 1.051 561 Y CB 1.347 40.006 38.460 0.331 0.000 1.259 561 Y HN 0.432 nan 8.280 nan 0.000 0.468 562 N N 2.144 121.004 118.700 0.267 0.000 2.479 562 N HA 0.330 5.070 4.740 -0.000 0.000 0.285 562 N C -0.977 174.588 175.510 0.092 0.000 1.075 562 N CA -0.238 52.906 53.050 0.157 0.000 0.967 562 N CB 1.133 39.676 38.487 0.093 0.000 1.137 562 N HN 0.401 nan 8.380 nan 0.000 0.472 563 I N 1.347 121.930 120.570 0.022 0.000 2.392 563 I HA 0.380 4.550 4.170 -0.000 0.000 0.295 563 I C 0.457 176.533 176.117 -0.068 0.000 0.985 563 I CA -0.338 60.855 61.300 -0.177 0.000 1.221 563 I CB 0.933 38.755 38.000 -0.296 0.000 1.366 563 I HN 0.387 nan 8.210 nan 0.000 0.467 564 K N 4.943 125.300 120.400 -0.072 0.000 2.551 564 K HA 0.732 5.052 4.320 -0.000 0.000 0.269 564 K C -1.637 175.030 176.600 0.112 0.000 0.949 564 K CA -0.547 55.755 56.287 0.026 0.000 0.849 564 K CB 2.864 35.374 32.500 0.016 0.000 1.411 564 K HN 0.406 nan 8.250 nan 0.000 0.432 565 V N -1.422 118.562 119.914 0.117 0.000 3.102 565 V HA 1.003 5.123 4.120 -0.000 0.000 0.312 565 V C -1.421 174.842 176.094 0.282 0.000 1.135 565 V CA -0.732 61.674 62.300 0.176 0.000 1.022 565 V CB 1.622 33.381 31.823 -0.106 0.000 1.056 565 V HN 0.914 nan 8.190 nan 0.000 0.436 566 A N 2.084 125.126 122.820 0.369 0.000 2.422 566 A HA 0.835 5.155 4.320 -0.000 0.000 0.302 566 A C -0.369 177.399 177.584 0.306 0.000 1.041 566 A CA -0.577 51.645 52.037 0.308 0.000 0.708 566 A CB 1.286 20.477 19.000 0.318 0.000 1.257 566 A HN 1.441 nan 8.150 nan 0.000 0.414 567 N N 1.362 120.223 118.700 0.268 0.000 2.294 567 N HA 0.371 5.111 4.740 -0.000 0.000 0.248 567 N C 1.177 176.693 175.510 0.010 0.000 1.300 567 N CA 0.185 53.371 53.050 0.227 0.000 0.925 567 N CB 0.260 38.886 38.487 0.232 0.000 1.188 567 N HN 0.731 nan 8.380 nan 0.000 0.512 568 A N -0.881 121.883 122.820 -0.093 0.000 2.024 568 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 568 A C 2.042 179.592 177.584 -0.056 0.000 1.164 568 A CA 1.949 53.901 52.037 -0.142 0.000 0.643 568 A CB -1.420 17.485 19.000 -0.159 0.000 0.806 568 A HN 0.864 nan 8.150 nan 0.000 0.451 569 A N -2.170 120.646 122.820 -0.006 0.000 2.169 569 A HA 0.399 4.719 4.320 -0.000 0.000 0.212 569 A C 1.841 179.439 177.584 0.024 0.000 1.153 569 A CA 1.298 53.340 52.037 0.009 0.000 0.756 569 A CB -0.692 18.322 19.000 0.023 0.000 0.813 569 A HN 1.860 nan 8.150 nan 0.000 0.471 570 G N -1.844 106.981 108.800 0.040 0.000 2.159 570 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.227 570 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.227 570 G C 0.296 175.241 174.900 0.076 0.000 0.986 570 G CA 0.230 45.368 45.100 0.063 0.000 0.651 570 G HN 0.563 nan 8.290 nan 0.000 0.523 571 T N 1.835 116.437 114.554 0.080 0.000 2.779 571 T HA 0.596 4.945 4.350 -0.000 0.000 0.296 571 T C 0.758 175.518 174.700 0.101 0.000 0.938 571 T CA 0.631 62.776 62.100 0.076 0.000 1.119 571 T CB 1.455 70.366 68.868 0.072 0.000 0.891 571 T HN 1.255 nan 8.240 nan 0.000 0.526 572 A N 3.718 126.579 122.820 0.068 0.000 2.340 572 A HA 0.631 4.951 4.320 -0.000 0.000 0.268 572 A C 0.864 178.488 177.584 0.067 0.000 1.100 572 A CA -0.720 51.354 52.037 0.062 0.000 0.803 572 A CB 0.310 19.298 19.000 -0.021 0.000 1.043 572 A HN 0.871 nan 8.150 nan 0.000 0.488 573 S N 1.910 117.663 115.700 0.088 0.000 2.694 573 S HA 0.397 4.867 4.470 -0.000 0.000 0.278 573 S C 0.285 174.919 174.600 0.057 0.000 1.152 573 S CA -0.555 57.701 58.200 0.093 0.000 1.010 573 S CB 0.311 63.601 63.200 0.150 0.000 1.104 573 S HN 0.926 nan 8.310 nan 0.000 0.547 574 N N -0.196 118.543 118.700 0.064 0.000 2.354 574 N HA 0.177 4.917 4.740 -0.000 0.000 0.246 574 N C -0.652 174.904 175.510 0.076 0.000 1.285 574 N CA -0.484 52.601 53.050 0.058 0.000 0.925 574 N CB 0.050 38.577 38.487 0.068 0.000 1.174 574 N HN 0.440 nan 8.380 nan 0.000 0.478 575 V N 0.697 120.650 119.914 0.065 0.000 2.439 575 V HA 0.151 4.271 4.120 -0.000 0.000 0.282 575 V C -0.889 175.275 176.094 0.117 0.000 1.039 575 V CA -0.664 61.679 62.300 0.072 0.000 0.913 575 V CB 0.251 32.096 31.823 0.035 0.000 0.983 575 V HN 0.633 nan 8.190 nan 0.000 0.460 576 Y N 5.481 125.780 120.300 -0.000 0.000 2.402 576 Y HA 0.370 4.920 4.550 0.000 0.000 0.332 576 Y C 0.477 176.392 175.900 0.024 0.000 0.960 576 Y CA -1.024 57.080 58.100 0.007 0.000 1.228 576 Y CB 0.622 39.068 38.460 -0.023 0.000 1.120 576 Y HN 0.858 nan 8.280 nan 0.000 0.491 577 D N 2.279 122.657 120.400 -0.036 0.000 2.478 577 D HA 0.119 4.759 4.640 -0.000 0.000 0.269 577 D C 0.042 176.387 176.300 0.074 0.000 1.232 577 D CA -0.423 53.599 54.000 0.036 0.000 1.059 577 D CB 0.651 41.446 40.800 -0.009 0.000 1.104 577 D HN 0.574 nan 8.370 nan 0.000 0.566 578 N N -2.449 116.312 118.700 0.101 0.000 2.776 578 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 578 N C -1.270 174.341 175.510 0.169 0.000 1.112 578 N CA 0.183 53.292 53.050 0.099 0.000 0.733 578 N CB -1.957 36.550 38.487 0.032 0.000 1.097 578 N HN 0.423 nan 8.380 nan 0.000 0.558 579 F N 1.630 121.666 119.950 0.143 0.000 2.438 579 F HA 0.341 4.868 4.527 -0.000 0.000 0.356 579 F C 0.706 176.634 175.800 0.212 0.000 1.099 579 F CA -0.471 57.633 58.000 0.175 0.000 1.185 579 F CB 0.705 39.820 39.000 0.191 0.000 1.115 579 F HN 0.139 nan 8.300 nan 0.000 0.526 580 E N 5.828 125.721 120.200 -0.512 0.000 2.109 580 E HA 0.387 4.737 4.350 -0.000 0.000 0.278 580 E C -1.518 174.887 176.600 -0.325 0.000 0.954 580 E CA -0.710 55.544 56.400 -0.243 0.000 0.779 580 E CB 1.153 30.748 29.700 -0.176 0.000 1.093 580 E HN 0.500 nan 8.360 nan 0.000 0.401 581 V N 6.578 126.539 119.914 0.078 0.000 2.406 581 V HA 0.186 4.306 4.120 -0.000 0.000 0.272 581 V C 0.492 176.623 176.094 0.062 0.000 1.043 581 V CA -0.433 61.934 62.300 0.111 0.000 0.915 581 V CB 0.737 32.653 31.823 0.154 0.000 0.988 581 V HN 0.704 nan 8.190 nan 0.000 0.466 582 L N 3.562 124.789 121.223 0.008 0.000 2.453 582 L HA 0.258 4.598 4.340 -0.000 0.000 0.261 582 L C 1.433 178.316 176.870 0.022 0.000 1.179 582 L CA -0.048 54.795 54.840 0.005 0.000 0.813 582 L CB 0.865 42.914 42.059 -0.016 0.000 1.110 582 L HN 0.625 nan 8.230 nan 0.000 0.466 583 S N 0.164 115.876 115.700 0.020 0.000 2.603 583 S HA 0.276 4.746 4.470 -0.000 0.000 0.220 583 S C 0.484 175.090 174.600 0.009 0.000 0.967 583 S CA 0.472 58.684 58.200 0.020 0.000 0.920 583 S CB 0.036 63.247 63.200 0.018 0.000 0.773 583 S HN 0.941 nan 8.310 nan 0.000 0.529 584 G N 0.652 109.455 108.800 0.004 0.000 2.352 584 G HA2 0.112 4.072 3.960 -0.000 0.000 0.283 584 G HA3 0.112 4.072 3.960 -0.000 0.000 0.283 584 G C -2.222 172.677 174.900 -0.002 0.000 1.308 584 G CA -1.015 44.085 45.100 0.000 0.000 0.892 584 G HN 0.067 nan 8.290 nan 0.000 0.504 585 D N 0.892 121.291 120.400 -0.002 0.000 2.400 585 D HA 0.340 4.980 4.640 -0.000 0.000 0.238 585 D C 0.175 176.475 176.300 -0.001 0.000 1.157 585 D CA 0.537 54.534 54.000 -0.005 0.000 0.889 585 D CB 0.703 41.501 40.800 -0.004 0.000 1.199 585 D HN 0.299 nan 8.370 nan 0.000 0.436 586 Q N 0.267 120.063 119.800 -0.007 0.000 2.306 586 Q HA 0.567 4.907 4.340 -0.000 0.000 0.265 586 Q C -0.329 175.686 176.000 0.024 0.000 1.022 586 Q CA -0.982 54.826 55.803 0.008 0.000 0.853 586 Q CB 2.308 31.040 28.738 -0.011 0.000 1.327 586 Q HN 0.327 nan 8.270 nan 0.000 0.449 587 V N -2.057 117.894 119.914 0.062 0.000 2.962 587 V HA 0.668 4.788 4.120 -0.000 0.000 0.313 587 V C -0.298 175.881 176.094 0.142 0.000 1.099 587 V CA -0.952 61.407 62.300 0.098 0.000 0.971 587 V CB 2.011 33.898 31.823 0.106 0.000 1.028 587 V HN 0.680 nan 8.190 nan 0.000 0.430 588 S N 1.995 117.811 115.700 0.193 0.000 2.430 588 S HA 0.693 5.163 4.470 -0.000 0.000 0.289 588 S C -0.551 174.190 174.600 0.236 0.000 1.143 588 S CA -0.329 58.026 58.200 0.258 0.000 1.067 588 S CB 0.449 63.911 63.200 0.436 0.000 0.964 588 S HN 0.838 nan 8.310 nan 0.000 0.485 589 V N 6.404 126.451 119.914 0.222 0.000 2.495 589 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 589 V C 0.205 176.364 176.094 0.108 0.000 1.031 589 V CA -0.985 61.376 62.300 0.102 0.000 0.871 589 V CB 1.721 33.547 31.823 0.004 0.000 0.988 589 V HN 0.840 nan 8.190 nan 0.000 0.432 590 R N 3.506 124.014 120.500 0.013 0.000 2.221 590 R HA 0.487 4.827 4.340 -0.000 0.000 0.327 590 R C -1.529 174.717 176.300 -0.091 0.000 1.033 590 R CA -0.302 55.856 56.100 0.095 0.000 0.887 590 R CB 0.488 30.866 30.300 0.130 0.000 1.057 590 R HN 0.506 nan 8.270 nan 0.000 0.455 591 F N 3.944 123.907 119.950 0.021 0.000 2.420 591 F HA 0.374 4.901 4.527 -0.000 0.000 0.342 591 F C -0.201 175.623 175.800 0.040 0.000 1.113 591 F CA -0.588 57.414 58.000 0.005 0.000 1.059 591 F CB 1.970 41.013 39.000 0.071 0.000 1.128 591 F HN 0.110 nan 8.300 nan 0.000 0.475 592 V N 4.474 124.431 119.914 0.071 0.000 2.531 592 V HA 0.513 4.633 4.120 -0.000 0.000 0.301 592 V C -0.931 175.062 176.094 -0.168 0.000 1.034 592 V CA -0.906 61.307 62.300 -0.144 0.000 0.865 592 V CB 1.936 33.487 31.823 -0.454 0.000 0.995 592 V HN 0.523 nan 8.190 nan 0.000 0.424 593 V N 5.611 125.341 119.914 -0.307 0.000 2.448 593 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 593 V C -0.522 175.494 176.094 -0.129 0.000 1.025 593 V CA -0.439 61.605 62.300 -0.428 0.000 0.859 593 V CB 1.904 33.027 31.823 -1.166 0.000 0.988 593 V HN 0.936 nan 8.190 nan 0.000 0.431 594 N N 5.009 123.688 118.700 -0.036 0.000 2.456 594 N HA 0.412 5.152 4.740 -0.000 0.000 0.296 594 N C -0.247 175.306 175.510 0.071 0.000 1.102 594 N CA -0.340 52.725 53.050 0.026 0.000 0.924 594 N CB 1.015 39.521 38.487 0.030 0.000 1.186 594 N HN 0.767 nan 8.380 nan 0.000 0.492 595 N N -0.482 118.230 118.700 0.020 0.000 2.727 595 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 595 N C -1.024 174.454 175.510 -0.053 0.000 1.040 595 N CA 0.455 53.497 53.050 -0.015 0.000 0.712 595 N CB -1.070 37.444 38.487 0.045 0.000 0.912 595 N HN 0.652 nan 8.380 nan 0.000 0.545 596 A N 0.584 123.336 122.820 -0.114 0.000 2.690 596 A HA 0.447 4.767 4.320 -0.000 0.000 0.342 596 A C 0.887 178.312 177.584 -0.265 0.000 1.410 596 A CA -0.263 51.533 52.037 -0.400 0.000 0.958 596 A CB 0.175 18.908 19.000 -0.445 0.000 1.153 596 A HN 0.300 nan 8.150 nan 0.000 0.497 597 T N 0.378 114.762 114.554 -0.283 0.000 2.918 597 T HA 0.583 4.933 4.350 -0.000 0.000 0.302 597 T C 0.371 175.091 174.700 0.032 0.000 1.045 597 T CA 0.352 62.429 62.100 -0.039 0.000 1.114 597 T CB 0.948 69.805 68.868 -0.018 0.000 0.965 597 T HN 1.008 nan 8.240 nan 0.000 0.540 598 T N -1.369 113.369 114.554 0.306 0.000 2.841 598 T HA 0.764 5.114 4.350 -0.000 0.000 0.296 598 T C -0.520 174.263 174.700 0.139 0.000 1.166 598 T CA -0.882 61.321 62.100 0.171 0.000 1.007 598 T CB 1.363 70.377 68.868 0.243 0.000 1.253 598 T HN 1.091 nan 8.240 nan 0.000 0.511 599 A N 1.062 123.926 122.820 0.073 0.000 2.306 599 A HA 0.743 5.063 4.320 -0.000 0.000 0.330 599 A C 0.226 177.833 177.584 0.038 0.000 1.146 599 A CA -1.017 51.046 52.037 0.044 0.000 0.827 599 A CB 0.217 19.236 19.000 0.032 0.000 1.178 599 A HN 0.950 nan 8.150 nan 0.000 0.490 600 L N 1.431 122.660 121.223 0.009 0.000 2.601 600 L HA 0.242 4.582 4.340 -0.000 0.000 0.277 600 L C 1.555 178.443 176.870 0.030 0.000 1.219 600 L CA 1.615 56.457 54.840 0.004 0.000 0.915 600 L CB -0.096 41.956 42.059 -0.012 0.000 1.160 600 L HN 1.271 nan 8.230 nan 0.000 0.494 601 G N 2.180 111.010 108.800 0.049 0.000 2.254 601 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.225 601 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.225 601 G C 0.214 175.164 174.900 0.084 0.000 1.003 601 G CA 0.113 45.250 45.100 0.061 0.000 0.622 601 G HN 0.592 nan 8.290 nan 0.000 0.507 602 Q N 1.044 120.895 119.800 0.085 0.000 2.267 602 Q HA 0.568 4.907 4.340 -0.000 0.000 0.255 602 Q C -0.554 175.517 176.000 0.117 0.000 0.923 602 Q CA -0.522 55.328 55.803 0.080 0.000 0.925 602 Q CB 0.416 29.179 28.738 0.042 0.000 1.195 602 Q HN 0.430 nan 8.270 nan 0.000 0.417 603 N N 1.931 120.682 118.700 0.084 0.000 2.321 603 N HA 0.371 5.111 4.740 -0.000 0.000 0.290 603 N C -1.378 173.950 175.510 -0.304 0.000 1.212 603 N CA -0.483 52.536 53.050 -0.052 0.000 0.767 603 N CB 2.145 40.675 38.487 0.072 0.000 1.494 603 N HN 0.309 nan 8.380 nan 0.000 0.479 604 V N 2.016 121.351 119.914 -0.965 0.000 2.509 604 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 604 V C -0.836 175.019 176.094 -0.399 0.000 1.047 604 V CA -0.050 61.820 62.300 -0.718 0.000 0.952 604 V CB 0.079 31.125 31.823 -1.296 0.000 0.988 604 V HN 0.514 nan 8.190 nan 0.000 0.469 605 Y N 3.382 123.575 120.300 -0.178 0.000 2.602 605 Y HA 0.720 5.270 4.550 -0.000 0.000 0.342 605 Y C -0.325 175.558 175.900 -0.029 0.000 1.029 605 Y CA -1.183 56.831 58.100 -0.145 0.000 1.080 605 Y CB 1.858 40.208 38.460 -0.184 0.000 1.284 605 Y HN 0.512 nan 8.280 nan 0.000 0.485 606 L N 1.033 122.267 121.223 0.019 0.000 2.322 606 L HA 0.807 5.147 4.340 -0.000 0.000 0.281 606 L C -0.480 176.251 176.870 -0.232 0.000 1.014 606 L CA 0.030 54.752 54.840 -0.198 0.000 0.815 606 L CB 1.805 43.644 42.059 -0.367 0.000 1.247 606 L HN 0.675 nan 8.230 nan 0.000 0.421 607 T N 2.862 117.263 114.554 -0.255 0.000 2.906 607 T HA 0.938 5.288 4.350 -0.000 0.000 0.295 607 T C -0.547 173.932 174.700 -0.368 0.000 1.061 607 T CA 0.051 62.020 62.100 -0.218 0.000 1.000 607 T CB 1.433 70.260 68.868 -0.069 0.000 1.103 607 T HN 1.054 nan 8.240 nan 0.000 0.486 608 G N 0.390 108.771 108.800 -0.699 0.000 2.606 608 G HA2 0.434 4.394 3.960 -0.000 0.000 0.300 608 G HA3 0.434 4.394 3.960 -0.000 0.000 0.300 608 G C 0.323 174.344 174.900 -1.465 0.000 1.360 608 G CA 0.073 44.500 45.100 -1.122 0.000 0.783 608 G HN 0.991 nan 8.290 nan 0.000 0.484 609 S N -1.384 113.757 115.700 -0.931 0.000 2.701 609 S HA 0.349 4.819 4.470 -0.000 0.000 0.220 609 S C 0.707 175.194 174.600 -0.190 0.000 0.954 609 S CA 0.576 58.505 58.200 -0.451 0.000 0.936 609 S CB -0.902 62.351 63.200 0.088 0.000 0.777 609 S HN 1.740 nan 8.310 nan 0.000 0.518 610 V N -2.054 117.733 119.914 -0.212 0.000 3.040 610 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 610 V C 1.150 177.186 176.094 -0.097 0.000 1.115 610 V CA -0.411 61.833 62.300 -0.093 0.000 0.998 610 V CB 1.117 32.912 31.823 -0.046 0.000 1.042 610 V HN 0.200 nan 8.190 nan 0.000 0.433 611 S N 0.096 115.774 115.700 -0.037 0.000 2.400 611 S HA -0.195 4.275 4.470 -0.000 0.000 0.232 611 S C 1.309 175.888 174.600 -0.035 0.000 1.025 611 S CA 1.696 59.882 58.200 -0.024 0.000 0.993 611 S CB -0.650 62.563 63.200 0.020 0.000 0.808 611 S HN 0.904 nan 8.310 nan 0.000 0.478 612 E N 0.628 120.810 120.200 -0.030 0.000 2.333 612 E HA 0.071 4.421 4.350 -0.000 0.000 0.198 612 E C 0.903 177.469 176.600 -0.058 0.000 1.007 612 E CA 0.537 56.923 56.400 -0.023 0.000 0.845 612 E CB -0.180 29.522 29.700 0.003 0.000 0.766 612 E HN 0.372 nan 8.360 nan 0.000 0.507 613 L N -1.325 119.832 121.223 -0.111 0.000 2.959 613 L HA 0.349 4.689 4.340 -0.000 0.000 0.259 613 L C 1.140 177.905 176.870 -0.176 0.000 1.185 613 L CA 0.584 55.316 54.840 -0.181 0.000 0.998 613 L CB 0.529 42.425 42.059 -0.272 0.000 1.337 613 L HN 0.167 nan 8.230 nan 0.000 0.555 614 G N -0.127 108.605 108.800 -0.113 0.000 2.162 614 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 614 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 614 G C 0.627 175.487 174.900 -0.065 0.000 0.976 614 G CA 0.168 45.224 45.100 -0.073 0.000 0.655 614 G HN 0.304 nan 8.290 nan 0.000 0.533 615 N N -1.041 117.571 118.700 -0.147 0.000 2.705 615 N HA -0.235 4.505 4.740 -0.000 0.000 0.255 615 N C 0.914 176.460 175.510 0.060 0.000 1.008 615 N CA 1.891 54.862 53.050 -0.131 0.000 0.742 615 N CB -1.598 36.892 38.487 0.006 0.000 0.906 615 N HN 1.255 nan 8.380 nan 0.000 0.541 616 W N -3.017 118.347 121.300 0.107 0.000 2.589 616 W HA -0.258 4.402 4.660 -0.000 0.000 0.272 616 W C 0.342 176.987 176.519 0.210 0.000 1.060 616 W CA 0.370 57.836 57.345 0.201 0.000 0.533 616 W CB -1.366 28.206 29.460 0.186 0.000 2.084 616 W HN 0.271 nan 8.180 nan 0.000 1.371 617 D N 0.254 120.809 120.400 0.258 0.000 2.347 617 D HA 0.198 4.838 4.640 -0.000 0.000 0.235 617 D C -1.027 175.319 176.300 0.078 0.000 1.149 617 D CA -2.091 52.013 54.000 0.173 0.000 0.850 617 D CB 1.270 42.127 40.800 0.094 0.000 1.061 617 D HN -0.190 nan 8.370 nan 0.000 0.487 618 P HA -0.140 nan 4.420 nan 0.000 0.217 618 P C 0.934 178.152 177.300 -0.137 0.000 1.148 618 P CA 1.271 64.303 63.100 -0.113 0.000 0.828 618 P CB 0.231 31.858 31.700 -0.122 0.000 0.783 619 A N -0.571 122.209 122.820 -0.065 0.000 2.125 619 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 619 A C 1.711 179.262 177.584 -0.056 0.000 1.156 619 A CA 1.408 53.404 52.037 -0.068 0.000 0.671 619 A CB -0.730 18.253 19.000 -0.027 0.000 0.794 619 A HN 0.213 nan 8.150 nan 0.000 0.459 620 K N -0.430 119.945 120.400 -0.041 0.000 2.478 620 K HA 0.422 4.742 4.320 -0.000 0.000 0.205 620 K C 0.225 176.803 176.600 -0.036 0.000 1.033 620 K CA 0.111 56.382 56.287 -0.026 0.000 1.091 620 K CB 0.687 33.178 32.500 -0.015 0.000 0.844 620 K HN 0.376 nan 8.250 nan 0.000 0.507 621 A N 1.384 124.167 122.820 -0.063 0.000 2.425 621 A HA 0.226 4.546 4.320 -0.000 0.000 0.242 621 A C 0.207 177.816 177.584 0.041 0.000 1.077 621 A CA -0.225 51.782 52.037 -0.050 0.000 0.781 621 A CB 0.174 19.109 19.000 -0.109 0.000 1.020 621 A HN 0.142 nan 8.150 nan 0.000 0.494 622 I N 1.640 122.199 120.570 -0.018 0.000 2.416 622 I HA 0.546 4.716 4.170 -0.000 0.000 0.288 622 I C 0.999 176.976 176.117 -0.233 0.000 1.051 622 I CA 1.257 62.510 61.300 -0.077 0.000 1.375 622 I CB -0.402 37.526 38.000 -0.121 0.000 1.407 622 I HN 1.011 nan 8.210 nan 0.000 0.516 623 G N 8.410 116.958 108.800 -0.420 0.000 2.320 623 G HA2 0.091 4.051 3.960 -0.000 0.000 0.274 623 G HA3 0.091 4.051 3.960 -0.000 0.000 0.274 623 G C -3.132 171.435 174.900 -0.554 0.000 1.324 623 G CA -0.847 43.702 45.100 -0.918 0.000 0.957 623 G HN 0.429 nan 8.290 nan 0.000 0.481 624 P HA 0.293 nan 4.420 nan 0.000 0.268 624 P C 0.243 177.046 177.300 -0.828 0.000 1.205 624 P CA 0.169 62.625 63.100 -1.074 0.000 0.771 624 P CB 0.469 31.883 31.700 -0.476 0.000 0.858 625 M N 2.101 121.292 119.600 -0.682 0.000 2.157 625 M HA 0.166 4.646 4.480 -0.000 0.000 0.304 625 M C 0.178 176.469 176.300 -0.015 0.000 1.171 625 M CA 0.247 55.301 55.300 -0.409 0.000 1.157 625 M CB 0.011 32.562 32.600 -0.082 0.000 1.403 625 M HN 0.277 nan 8.290 nan 0.000 0.473 626 Y N 0.832 121.119 120.300 -0.022 0.000 2.453 626 Y HA 0.301 4.851 4.550 -0.000 0.000 0.326 626 Y C 0.471 176.208 175.900 -0.272 0.000 1.186 626 Y CA -1.453 56.483 58.100 -0.273 0.000 1.200 626 Y CB 0.576 38.629 38.460 -0.679 0.000 1.247 626 Y HN 0.685 nan 8.280 nan 0.000 0.482 627 N N -1.443 117.220 118.700 -0.061 0.000 2.453 627 N HA 0.086 4.826 4.740 -0.000 0.000 0.267 627 N C -0.211 175.267 175.510 -0.053 0.000 1.482 627 N CA -0.119 52.828 53.050 -0.172 0.000 0.841 627 N CB 0.241 38.178 38.487 -0.917 0.000 1.408 627 N HN 0.454 nan 8.380 nan 0.000 0.490 628 Q N -0.370 119.469 119.800 0.065 0.000 2.620 628 Q HA 0.329 4.669 4.340 -0.000 0.000 0.232 628 Q C 1.420 177.414 176.000 -0.009 0.000 0.836 628 Q CA 0.781 56.580 55.803 -0.007 0.000 0.938 628 Q CB 0.537 29.241 28.738 -0.056 0.000 1.242 628 Q HN 0.180 nan 8.270 nan 0.000 0.624 629 V N 0.636 120.560 119.914 0.018 0.000 2.300 629 V HA -0.084 4.036 4.120 -0.000 0.000 0.233 629 V C 2.365 178.310 176.094 -0.248 0.000 1.052 629 V CA 1.361 63.607 62.300 -0.090 0.000 1.026 629 V CB -0.820 30.962 31.823 -0.068 0.000 0.661 629 V HN 0.001 nan 8.190 nan 0.000 0.470 630 V N -1.574 118.051 119.914 -0.481 0.000 2.343 630 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 630 V C 0.746 176.305 176.094 -0.892 0.000 1.051 630 V CA 1.584 63.399 62.300 -0.809 0.000 1.036 630 V CB -0.638 30.465 31.823 -1.200 0.000 0.654 630 V HN 0.493 nan 8.190 nan 0.000 0.451 631 Y N -1.492 118.422 120.300 -0.644 0.000 2.570 631 Y HA 0.688 5.238 4.550 -0.000 0.000 0.345 631 Y C -0.177 175.665 175.900 -0.097 0.000 1.014 631 Y CA -1.258 56.669 58.100 -0.289 0.000 1.063 631 Y CB 1.618 39.949 38.460 -0.215 0.000 1.272 631 Y HN 0.004 nan 8.280 nan 0.000 0.477 632 Q N 0.688 120.525 119.800 0.061 0.000 2.342 632 Q HA 0.312 4.652 4.340 -0.000 0.000 0.267 632 Q C -1.356 174.632 176.000 -0.019 0.000 1.038 632 Q CA -0.966 54.843 55.803 0.011 0.000 0.832 632 Q CB 1.622 30.350 28.738 -0.016 0.000 1.323 632 Q HN 0.579 nan 8.270 nan 0.000 0.448 633 Y N 4.409 124.574 120.300 -0.225 0.000 2.903 633 Y HA -0.019 4.531 4.550 -0.000 0.000 0.338 633 Y C -1.191 174.642 175.900 -0.112 0.000 1.265 633 Y CA -0.642 57.279 58.100 -0.297 0.000 1.532 633 Y CB 0.684 38.927 38.460 -0.362 0.000 1.293 633 Y HN 0.588 nan 8.280 nan 0.000 0.609 634 P HA -0.016 nan 4.420 nan 0.000 0.258 634 P C -1.014 176.105 177.300 -0.302 0.000 1.319 634 P CA 0.429 62.866 63.100 -1.105 0.000 0.785 634 P CB -0.002 31.199 31.700 -0.832 0.000 1.252 635 N N 0.490 119.086 118.700 -0.173 0.000 2.456 635 N HA 0.234 4.974 4.740 -0.000 0.000 0.288 635 N C -0.631 174.907 175.510 0.046 0.000 1.059 635 N CA 0.005 53.077 53.050 0.037 0.000 0.946 635 N CB 0.669 39.190 38.487 0.056 0.000 1.150 635 N HN 0.034 nan 8.380 nan 0.000 0.479 636 W N 1.452 122.730 121.300 -0.037 0.000 2.864 636 W HA 0.480 5.140 4.660 -0.000 0.000 0.343 636 W C -0.379 176.171 176.519 0.052 0.000 1.109 636 W CA -0.683 56.683 57.345 0.036 0.000 1.192 636 W CB 0.598 30.018 29.460 -0.066 0.000 1.426 636 W HN 0.422 nan 8.180 nan 0.000 0.529 637 Y N -0.308 120.107 120.300 0.192 0.000 2.597 637 Y HA 0.807 5.357 4.550 -0.000 0.000 0.340 637 Y C -2.029 174.044 175.900 0.289 0.000 1.097 637 Y CA -2.589 55.577 58.100 0.111 0.000 1.037 637 Y CB 1.551 39.988 38.460 -0.039 0.000 1.305 637 Y HN 0.484 nan 8.280 nan 0.000 0.463 638 Y N 0.654 121.024 120.300 0.116 0.000 2.521 638 Y HA 0.373 4.923 4.550 -0.000 0.000 0.328 638 Y C -1.866 174.174 175.900 0.233 0.000 1.151 638 Y CA -1.360 56.754 58.100 0.024 0.000 1.054 638 Y CB 1.840 40.233 38.460 -0.111 0.000 1.338 638 Y HN 0.802 nan 8.280 nan 0.000 0.453 639 D N 3.857 124.230 120.400 -0.045 0.000 2.232 639 D HA 0.569 5.209 4.640 -0.000 0.000 0.242 639 D C -0.961 175.445 176.300 0.178 0.000 1.093 639 D CA 0.020 54.116 54.000 0.160 0.000 0.845 639 D CB 2.030 42.956 40.800 0.211 0.000 1.124 639 D HN 0.222 nan 8.370 nan 0.000 0.467 640 V N 0.967 121.064 119.914 0.306 0.000 2.789 640 V HA 0.309 4.428 4.120 -0.000 0.000 0.311 640 V C 0.227 176.469 176.094 0.247 0.000 1.073 640 V CA -0.949 61.518 62.300 0.278 0.000 0.921 640 V CB 2.114 34.081 31.823 0.241 0.000 1.009 640 V HN 0.473 nan 8.190 nan 0.000 0.426 641 S N 3.183 118.987 115.700 0.174 0.000 2.448 641 S HA 0.620 5.090 4.470 -0.000 0.000 0.279 641 S C -0.435 174.237 174.600 0.120 0.000 1.195 641 S CA -0.381 57.893 58.200 0.124 0.000 1.051 641 S CB 0.303 63.539 63.200 0.062 0.000 0.948 641 S HN 1.083 nan 8.310 nan 0.000 0.493 642 V N 3.208 123.207 119.914 0.141 0.000 3.040 642 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 642 V C -2.824 173.321 176.094 0.085 0.000 1.115 642 V CA -2.848 59.532 62.300 0.134 0.000 0.998 642 V CB 1.805 33.778 31.823 0.251 0.000 1.042 642 V HN 0.659 nan 8.190 nan 0.000 0.433 643 P HA 0.236 nan 4.420 nan 0.000 0.271 643 P C 0.021 177.329 177.300 0.014 0.000 1.226 643 P CA 0.508 63.621 63.100 0.022 0.000 0.765 643 P CB 0.888 32.593 31.700 0.008 0.000 0.835 644 A N 3.655 126.484 122.820 0.016 0.000 2.540 644 A HA 0.399 4.719 4.320 -0.000 0.000 0.239 644 A C 1.633 179.211 177.584 -0.010 0.000 1.061 644 A CA 0.687 52.732 52.037 0.013 0.000 0.758 644 A CB -1.264 17.747 19.000 0.017 0.000 0.991 644 A HN 0.857 nan 8.150 nan 0.000 0.502 645 G N 1.341 110.129 108.800 -0.022 0.000 2.196 645 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.268 645 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.268 645 G C 0.305 175.166 174.900 -0.065 0.000 0.975 645 G CA 0.825 45.903 45.100 -0.036 0.000 0.648 645 G HN 0.769 nan 8.290 nan 0.000 0.538 646 K N 0.963 121.309 120.400 -0.091 0.000 2.174 646 K HA 0.463 4.783 4.320 -0.000 0.000 0.275 646 K C 0.175 176.659 176.600 -0.193 0.000 1.015 646 K CA -0.182 56.043 56.287 -0.103 0.000 0.933 646 K CB 1.062 33.518 32.500 -0.074 0.000 1.025 646 K HN 0.096 nan 8.250 nan 0.000 0.463 647 T N 3.495 117.969 114.554 -0.132 0.000 2.749 647 T HA 0.418 4.768 4.350 -0.000 0.000 0.295 647 T C 0.431 175.072 174.700 -0.098 0.000 0.936 647 T CA -0.291 61.723 62.100 -0.143 0.000 1.060 647 T CB 0.089 68.930 68.868 -0.044 0.000 0.904 647 T HN 0.300 nan 8.240 nan 0.000 0.500 648 I N 2.943 123.431 120.570 -0.137 0.000 2.509 648 I HA 0.356 4.526 4.170 -0.000 0.000 0.293 648 I C 0.251 176.591 176.117 0.372 0.000 1.020 648 I CA -0.865 60.481 61.300 0.076 0.000 1.088 648 I CB 2.162 40.204 38.000 0.069 0.000 1.267 648 I HN 0.480 nan 8.210 nan 0.000 0.430 649 E N 5.852 126.263 120.200 0.352 0.000 2.231 649 E HA 0.622 4.972 4.350 -0.000 0.000 0.277 649 E C -1.363 175.531 176.600 0.490 0.000 0.999 649 E CA -0.508 56.160 56.400 0.448 0.000 0.827 649 E CB 2.136 32.100 29.700 0.439 0.000 1.101 649 E HN 0.415 nan 8.360 nan 0.000 0.393 650 F N -0.619 119.524 119.950 0.322 0.000 2.711 650 F HA 0.673 5.200 4.527 -0.000 0.000 0.313 650 F C -1.098 174.872 175.800 0.284 0.000 1.141 650 F CA -1.145 56.933 58.000 0.131 0.000 0.941 650 F CB 1.425 40.388 39.000 -0.062 0.000 1.349 650 F HN 0.135 nan 8.300 nan 0.000 0.464 651 K N 0.587 121.132 120.400 0.242 0.000 2.533 651 K HA 0.611 4.931 4.320 -0.000 0.000 0.272 651 K C -2.080 174.436 176.600 -0.140 0.000 0.985 651 K CA -0.758 55.618 56.287 0.149 0.000 0.876 651 K CB 2.801 35.539 32.500 0.396 0.000 1.452 651 K HN 0.554 nan 8.250 nan 0.000 0.439 652 F N 1.344 121.392 119.950 0.163 0.000 2.470 652 F HA 0.557 5.084 4.527 -0.000 0.000 0.329 652 F C 0.028 175.897 175.800 0.114 0.000 1.072 652 F CA -0.712 57.379 58.000 0.151 0.000 0.989 652 F CB 1.013 40.183 39.000 0.283 0.000 1.193 652 F HN 0.061 nan 8.300 nan 0.000 0.481 653 L N 1.344 122.739 121.223 0.288 0.000 2.354 653 L HA 0.573 4.913 4.340 -0.000 0.000 0.264 653 L C -0.968 176.000 176.870 0.162 0.000 1.008 653 L CA -1.098 53.802 54.840 0.100 0.000 0.819 653 L CB 2.364 44.245 42.059 -0.298 0.000 1.339 653 L HN 0.464 nan 8.230 nan 0.000 0.420 654 K N 2.100 122.552 120.400 0.087 0.000 2.394 654 K HA 0.512 4.832 4.320 -0.000 0.000 0.260 654 K C -1.209 175.363 176.600 -0.047 0.000 0.967 654 K CA -0.675 55.578 56.287 -0.056 0.000 0.855 654 K CB 1.951 34.358 32.500 -0.155 0.000 1.101 654 K HN 0.411 nan 8.250 nan 0.000 0.433 655 K N 2.239 122.624 120.400 -0.026 0.000 2.270 655 K HA 0.233 4.553 4.320 -0.000 0.000 0.255 655 K C -0.844 175.751 176.600 -0.009 0.000 0.936 655 K CA -0.892 55.339 56.287 -0.094 0.000 0.809 655 K CB 1.910 34.193 32.500 -0.363 0.000 1.131 655 K HN 0.240 nan 8.250 nan 0.000 0.427 656 Q N 1.846 121.633 119.800 -0.022 0.000 2.401 656 Q HA 0.376 4.715 4.340 -0.000 0.000 0.260 656 Q C 0.192 176.187 176.000 -0.008 0.000 1.034 656 Q CA 0.398 56.206 55.803 0.008 0.000 0.737 656 Q CB 1.180 29.925 28.738 0.012 0.000 1.227 656 Q HN 0.819 nan 8.270 nan 0.000 0.488 657 G N 2.409 111.208 108.800 -0.001 0.000 2.556 657 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.283 657 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.283 657 G C 0.545 175.411 174.900 -0.057 0.000 1.177 657 G CA 0.453 45.545 45.100 -0.013 0.000 0.978 657 G HN 1.278 nan 8.290 nan 0.000 0.554 658 S N -0.763 114.908 115.700 -0.049 0.000 2.557 658 S HA 0.440 4.910 4.470 -0.000 0.000 0.223 658 S C 0.756 175.321 174.600 -0.058 0.000 0.969 658 S CA 1.150 59.308 58.200 -0.071 0.000 0.927 658 S CB 0.355 63.528 63.200 -0.044 0.000 0.806 658 S HN 0.922 nan 8.310 nan 0.000 0.489 659 T N 2.932 117.461 114.554 -0.041 0.000 2.814 659 T HA 0.485 4.834 4.350 -0.000 0.000 0.297 659 T C -0.345 174.332 174.700 -0.038 0.000 0.956 659 T CA -0.175 61.914 62.100 -0.017 0.000 1.123 659 T CB 1.103 69.972 68.868 0.001 0.000 0.902 659 T HN 0.150 nan 8.240 nan 0.000 0.528 660 V N 3.818 123.723 119.914 -0.015 0.000 2.555 660 V HA 0.542 4.662 4.120 -0.000 0.000 0.302 660 V C 0.200 176.321 176.094 0.044 0.000 1.038 660 V CA -0.827 61.442 62.300 -0.053 0.000 0.887 660 V CB 2.209 33.959 31.823 -0.121 0.000 0.991 660 V HN 0.905 nan 8.190 nan 0.000 0.434 661 T N 3.407 117.982 114.554 0.035 0.000 2.815 661 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 661 T C -0.882 173.961 174.700 0.239 0.000 1.000 661 T CA -0.268 61.940 62.100 0.181 0.000 0.958 661 T CB 0.630 69.603 68.868 0.176 0.000 0.944 661 T HN 0.547 nan 8.240 nan 0.000 0.442 662 W N 1.813 123.208 121.300 0.159 0.000 2.375 662 W HA 0.408 5.068 4.660 -0.000 0.000 0.336 662 W C 0.913 177.431 176.519 -0.001 0.000 1.160 662 W CA -0.854 56.550 57.345 0.097 0.000 1.266 662 W CB 0.446 29.910 29.460 0.007 0.000 1.195 662 W HN 0.570 nan 8.180 nan 0.000 0.599 663 E N 0.706 120.881 120.200 -0.042 0.000 2.415 663 E HA 0.215 4.565 4.350 -0.000 0.000 0.262 663 E C 0.665 177.157 176.600 -0.179 0.000 1.038 663 E CA 0.059 56.121 56.400 -0.563 0.000 0.921 663 E CB 0.675 29.991 29.700 -0.640 0.000 0.950 663 E HN 0.631 nan 8.360 nan 0.000 0.438 664 G N 1.073 109.750 108.800 -0.205 0.000 2.510 664 G HA2 0.514 4.474 3.960 -0.000 0.000 0.280 664 G HA3 0.514 4.474 3.960 -0.000 0.000 0.280 664 G C 0.277 175.076 174.900 -0.169 0.000 1.386 664 G CA 0.001 45.032 45.100 -0.116 0.000 1.047 664 G HN 0.812 nan 8.290 nan 0.000 0.527 665 G N -1.326 107.390 108.800 -0.140 0.000 2.697 665 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.240 665 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.240 665 G C 0.327 175.112 174.900 -0.192 0.000 1.346 665 G CA 0.132 45.138 45.100 -0.158 0.000 0.887 665 G HN 1.338 nan 8.290 nan 0.000 0.569 666 S N 0.762 116.343 115.700 -0.198 0.000 2.632 666 S HA 0.455 4.925 4.470 -0.000 0.000 0.267 666 S C 0.743 175.183 174.600 -0.266 0.000 1.276 666 S CA -0.641 57.440 58.200 -0.199 0.000 0.998 666 S CB 0.691 63.801 63.200 -0.149 0.000 0.953 666 S HN 0.701 nan 8.310 nan 0.000 0.547 667 N N 1.939 120.519 118.700 -0.201 0.000 2.416 667 N HA 0.055 4.795 4.740 -0.000 0.000 0.246 667 N C -0.058 175.291 175.510 -0.267 0.000 1.260 667 N CA 0.325 53.278 53.050 -0.163 0.000 0.897 667 N CB 0.109 38.625 38.487 0.048 0.000 1.110 667 N HN 0.553 nan 8.380 nan 0.000 0.439 668 H N 0.214 119.075 119.070 -0.349 0.000 2.546 668 H HA 0.349 4.905 4.556 -0.000 0.000 0.365 668 H C 0.010 175.134 175.328 -0.339 0.000 1.220 668 H CA 0.375 56.113 56.048 -0.517 0.000 1.386 668 H CB 0.951 29.995 29.762 -1.196 0.000 1.510 668 H HN 0.358 nan 8.280 nan 0.000 0.591 669 T N 2.303 116.945 114.554 0.147 0.000 2.916 669 T HA 0.449 4.799 4.350 -0.000 0.000 0.305 669 T C -1.050 174.022 174.700 0.619 0.000 1.119 669 T CA -0.744 61.592 62.100 0.394 0.000 1.008 669 T CB 1.426 70.426 68.868 0.220 0.000 1.129 669 T HN 0.525 nan 8.240 nan 0.000 0.480 670 F N -1.048 119.122 119.950 0.366 0.000 2.773 670 F HA 0.763 5.290 4.527 -0.000 0.000 0.314 670 F C -1.629 174.267 175.800 0.161 0.000 1.160 670 F CA -0.909 57.236 58.000 0.242 0.000 0.920 670 F CB 0.901 40.041 39.000 0.232 0.000 1.323 670 F HN 0.424 nan 8.300 nan 0.000 0.457 671 T N 2.478 116.875 114.554 -0.260 0.000 2.809 671 T HA 0.762 5.112 4.350 -0.000 0.000 0.284 671 T C -0.106 174.370 174.700 -0.373 0.000 0.992 671 T CA -0.192 61.668 62.100 -0.400 0.000 0.957 671 T CB 1.139 69.937 68.868 -0.116 0.000 0.942 671 T HN 0.951 nan 8.240 nan 0.000 0.439 672 A N 5.870 128.373 122.820 -0.528 0.000 2.445 672 A HA 0.548 4.868 4.320 -0.000 0.000 0.242 672 A C -1.926 175.658 177.584 -0.000 0.000 1.075 672 A CA -1.125 50.849 52.037 -0.105 0.000 0.777 672 A CB -0.281 18.686 19.000 -0.055 0.000 1.013 672 A HN 0.540 nan 8.150 nan 0.000 0.493 673 P HA 0.057 nan 4.420 nan 0.000 0.272 673 P C 0.687 178.011 177.300 0.040 0.000 1.230 673 P CA 0.296 63.431 63.100 0.058 0.000 0.788 673 P CB 0.838 32.585 31.700 0.078 0.000 0.949 674 S N 0.003 115.722 115.700 0.031 0.000 2.461 674 S HA 0.042 4.512 4.470 -0.000 0.000 0.228 674 S C 0.850 175.468 174.600 0.030 0.000 1.005 674 S CA 0.581 58.795 58.200 0.023 0.000 0.942 674 S CB -0.624 62.587 63.200 0.018 0.000 0.776 674 S HN 0.784 nan 8.310 nan 0.000 0.514 675 S N -1.347 114.378 115.700 0.043 0.000 2.611 675 S HA 0.676 5.146 4.470 -0.000 0.000 0.268 675 S C 0.108 174.750 174.600 0.069 0.000 1.156 675 S CA -0.395 57.836 58.200 0.050 0.000 0.817 675 S CB 0.816 64.039 63.200 0.038 0.000 1.122 675 S HN 1.740 nan 8.310 nan 0.000 0.466 676 G N 0.842 109.695 108.800 0.089 0.000 2.693 676 G HA2 0.202 4.162 3.960 -0.000 0.000 0.226 676 G HA3 0.202 4.162 3.960 -0.000 0.000 0.226 676 G C 0.022 174.997 174.900 0.126 0.000 1.354 676 G CA 0.448 45.612 45.100 0.108 0.000 0.873 676 G HN 2.290 nan 8.290 nan 0.000 0.562 677 T N -2.435 112.192 114.554 0.122 0.000 2.889 677 T HA 1.038 5.388 4.350 -0.000 0.000 0.278 677 T C 0.207 174.961 174.700 0.090 0.000 0.995 677 T CA 0.519 62.696 62.100 0.129 0.000 0.966 677 T CB 1.821 70.773 68.868 0.141 0.000 1.237 677 T HN 2.679 nan 8.240 nan 0.000 0.591 678 A N -0.138 122.725 122.820 0.071 0.000 2.597 678 A HA 0.668 4.988 4.320 -0.000 0.000 0.292 678 A C -0.791 176.771 177.584 -0.037 0.000 1.057 678 A CA -0.929 51.125 52.037 0.028 0.000 0.674 678 A CB 1.155 20.184 19.000 0.049 0.000 1.278 678 A HN 0.897 nan 8.150 nan 0.000 0.416 679 T N 2.145 116.659 114.554 -0.068 0.000 2.840 679 T HA 0.537 4.887 4.350 -0.000 0.000 0.287 679 T C -0.749 173.831 174.700 -0.199 0.000 0.991 679 T CA -0.261 61.767 62.100 -0.121 0.000 0.964 679 T CB 0.676 69.531 68.868 -0.021 0.000 0.954 679 T HN 0.452 nan 8.240 nan 0.000 0.438 680 I N 4.081 124.413 120.570 -0.397 0.000 2.328 680 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 680 I C 0.117 176.116 176.117 -0.197 0.000 1.012 680 I CA -0.778 60.284 61.300 -0.396 0.000 1.195 680 I CB 0.927 38.370 38.000 -0.927 0.000 1.350 680 I HN 0.528 nan 8.210 nan 0.000 0.464 681 N N 6.986 125.642 118.700 -0.073 0.000 2.446 681 N HA 0.561 5.301 4.740 -0.000 0.000 0.265 681 N C -0.866 174.657 175.510 0.022 0.000 0.975 681 N CA -0.137 52.891 53.050 -0.036 0.000 0.928 681 N CB 2.174 40.642 38.487 -0.031 0.000 1.160 681 N HN 0.457 nan 8.380 nan 0.000 0.495 682 V N 1.129 121.059 119.914 0.027 0.000 3.167 682 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 682 V C -0.509 175.604 176.094 0.032 0.000 1.207 682 V CA -1.095 61.224 62.300 0.032 0.000 1.059 682 V CB 2.030 33.794 31.823 -0.100 0.000 1.079 682 V HN 0.465 nan 8.190 nan 0.000 0.446 683 N N 1.527 120.291 118.700 0.108 0.000 2.443 683 N HA 0.246 4.986 4.740 -0.000 0.000 0.295 683 N C -0.756 174.896 175.510 0.236 0.000 1.076 683 N CA -0.298 52.841 53.050 0.148 0.000 0.919 683 N CB 1.850 40.424 38.487 0.146 0.000 1.176 683 N HN 1.017 nan 8.380 nan 0.000 0.487 684 W N 2.505 123.844 121.300 0.065 0.000 2.322 684 W HA 0.040 4.700 4.660 -0.000 0.000 0.328 684 W C -0.783 175.822 176.519 0.145 0.000 1.395 684 W CA 0.092 57.506 57.345 0.115 0.000 1.267 684 W CB 0.304 29.780 29.460 0.027 0.000 1.259 684 W HN 0.417 nan 8.180 nan 0.000 0.560 685 Q N 8.572 128.124 119.800 -0.412 0.000 2.331 685 Q HA 0.242 4.582 4.340 -0.000 0.000 0.257 685 Q C -1.736 174.033 176.000 -0.386 0.000 0.957 685 Q CA -1.784 53.854 55.803 -0.276 0.000 0.923 685 Q CB 1.659 30.251 28.738 -0.243 0.000 1.212 685 Q HN 0.256 nan 8.270 nan 0.000 0.443 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.200 63.100 0.167 0.000 0.800 686 P CB 0.000 31.822 31.700 0.203 0.000 0.726