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 1eo7_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 KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMAA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGAWFL 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 0.000 177.565 177.584 -0.031 0.000 1.274 1 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 1 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 2 P HA 0.293 nan 4.420 nan 0.000 0.279 2 P C 0.262 177.527 177.300 -0.060 0.000 1.252 2 P CA -0.100 62.971 63.100 -0.049 0.000 0.811 2 P CB 0.675 32.344 31.700 -0.052 0.000 1.035 3 D N -0.083 120.285 120.400 -0.055 0.000 2.190 3 D HA -0.185 4.456 4.640 0.002 0.000 0.200 3 D C 1.027 177.277 176.300 -0.083 0.000 0.992 3 D CA 2.116 56.087 54.000 -0.047 0.000 0.854 3 D CB -1.434 39.368 40.800 0.003 0.000 0.936 3 D HN 0.455 nan 8.370 nan 0.000 0.462 4 T N -2.685 111.813 114.554 -0.093 0.000 3.148 4 T HA 0.035 4.386 4.350 0.002 0.000 0.253 4 T C 1.043 175.656 174.700 -0.144 0.000 1.134 4 T CA 0.058 62.079 62.100 -0.131 0.000 1.051 4 T CB -0.243 68.555 68.868 -0.118 0.000 0.959 4 T HN 0.166 nan 8.240 nan 0.000 0.525 5 S N 0.643 116.268 115.700 -0.125 0.000 2.560 5 S HA 0.141 4.612 4.470 0.002 0.000 0.284 5 S C 1.404 175.899 174.600 -0.174 0.000 1.327 5 S CA -0.364 57.759 58.200 -0.129 0.000 1.055 5 S CB 1.156 64.296 63.200 -0.101 0.000 0.868 5 S HN 0.266 nan 8.310 nan 0.000 0.506 6 V N 4.721 124.528 119.914 -0.179 0.000 3.026 6 V HA -0.058 4.063 4.120 0.002 0.000 0.265 6 V C 2.104 178.039 176.094 -0.265 0.000 1.121 6 V CA 2.370 64.534 62.300 -0.228 0.000 1.142 6 V CB -0.982 30.728 31.823 -0.189 0.000 0.730 6 V HN 1.031 nan 8.190 nan 0.000 0.503 7 S N -0.273 115.302 115.700 -0.209 0.000 2.522 7 S HA -0.003 4.468 4.470 0.002 0.000 0.227 7 S C 1.192 175.713 174.600 -0.131 0.000 0.986 7 S CA 0.426 58.517 58.200 -0.181 0.000 0.929 7 S CB -0.685 62.440 63.200 -0.125 0.000 0.769 7 S HN 0.602 nan 8.310 nan 0.000 0.529 8 N N 2.675 121.287 118.700 -0.147 0.000 2.605 8 N HA 0.137 4.878 4.740 0.002 0.000 0.282 8 N C 0.288 175.757 175.510 -0.069 0.000 1.206 8 N CA 0.126 53.111 53.050 -0.109 0.000 1.074 8 N CB 0.084 38.483 38.487 -0.147 0.000 1.434 8 N HN 0.486 nan 8.380 nan 0.000 0.506 9 K N 1.366 121.788 120.400 0.035 0.000 2.525 9 K HA -0.037 4.284 4.320 0.002 0.000 0.192 9 K C 0.463 177.256 176.600 0.322 0.000 1.029 9 K CA 0.584 56.988 56.287 0.195 0.000 1.029 9 K CB 0.462 33.057 32.500 0.158 0.000 0.814 9 K HN 0.394 nan 8.250 nan 0.000 0.503 10 Q N -0.214 119.721 119.800 0.226 0.000 2.280 10 Q HA 0.083 4.424 4.340 0.002 0.000 0.228 10 Q C -0.437 175.705 176.000 0.238 0.000 0.857 10 Q CA 0.064 56.038 55.803 0.284 0.000 0.939 10 Q CB 0.687 29.558 28.738 0.221 0.000 1.114 10 Q HN 0.067 nan 8.270 nan 0.000 0.514 11 N N -0.641 118.074 118.700 0.025 0.000 2.430 11 N HA 0.228 4.969 4.740 0.002 0.000 0.290 11 N C -1.258 174.076 175.510 -0.293 0.000 1.063 11 N CA -0.299 52.535 53.050 -0.360 0.000 0.883 11 N CB 0.594 38.750 38.487 -0.551 0.000 1.465 11 N HN -0.153 nan 8.380 nan 0.000 0.493 12 F N 1.132 120.609 119.950 -0.789 0.000 2.682 12 F HA 0.307 4.835 4.527 0.001 0.000 0.308 12 F C 1.925 177.411 175.800 -0.523 0.000 1.093 12 F CA -0.146 57.465 58.000 -0.648 0.000 1.244 12 F CB 0.187 38.669 39.000 -0.864 0.000 1.052 12 F HN 0.451 nan 8.300 nan 0.000 0.573 13 S N -0.328 115.150 115.700 -0.369 0.000 2.420 13 S HA -0.196 4.275 4.470 0.002 0.000 0.237 13 S C 2.071 176.436 174.600 -0.391 0.000 1.023 13 S CA 2.029 60.026 58.200 -0.338 0.000 0.991 13 S CB -0.670 62.355 63.200 -0.291 0.000 0.792 13 S HN 0.538 nan 8.310 nan 0.000 0.488 14 T N -0.624 113.690 114.554 -0.399 0.000 3.107 14 T HA 0.147 4.498 4.350 0.002 0.000 0.249 14 T C 0.134 174.664 174.700 -0.283 0.000 1.096 14 T CA -0.127 61.754 62.100 -0.366 0.000 1.012 14 T CB -0.007 68.662 68.868 -0.332 0.000 0.977 14 T HN 0.181 nan 8.240 nan 0.000 0.527 15 D N 0.947 121.183 120.400 -0.272 0.000 2.326 15 D HA 0.498 5.139 4.640 0.002 0.000 0.248 15 D C -0.928 175.290 176.300 -0.136 0.000 1.001 15 D CA -0.545 53.326 54.000 -0.216 0.000 0.961 15 D CB 2.711 43.343 40.800 -0.281 0.000 1.183 15 D HN -0.017 nan 8.370 nan 0.000 0.502 16 V N 2.190 122.052 119.914 -0.086 0.000 2.349 16 V HA 0.265 4.386 4.120 0.002 0.000 0.284 16 V C 0.407 176.533 176.094 0.053 0.000 1.014 16 V CA -0.658 61.620 62.300 -0.035 0.000 0.826 16 V CB 1.092 32.881 31.823 -0.057 0.000 1.009 16 V HN 0.375 nan 8.190 nan 0.000 0.431 17 I N 4.389 125.026 120.570 0.111 0.000 2.575 17 I HA 0.204 4.375 4.170 0.002 0.000 0.285 17 I C -0.613 175.664 176.117 0.267 0.000 1.085 17 I CA -0.175 61.259 61.300 0.223 0.000 1.403 17 I CB 0.586 38.743 38.000 0.261 0.000 1.409 17 I HN 0.585 nan 8.210 nan 0.000 0.557 18 Y N 5.886 126.280 120.300 0.156 0.000 2.447 18 Y HA 0.199 4.750 4.550 0.002 0.000 0.325 18 Y C 0.107 176.089 175.900 0.138 0.000 0.976 18 Y CA -0.665 57.502 58.100 0.112 0.000 1.280 18 Y CB 0.842 39.320 38.460 0.031 0.000 1.104 18 Y HN 0.497 nan 8.280 nan 0.000 0.486 19 Q N 6.731 126.443 119.800 -0.146 0.000 2.263 19 Q HA 0.269 4.610 4.340 0.002 0.000 0.270 19 Q C -1.040 174.779 176.000 -0.303 0.000 1.104 19 Q CA 0.190 55.860 55.803 -0.222 0.000 0.909 19 Q CB 0.289 28.803 28.738 -0.374 0.000 1.214 19 Q HN 0.743 nan 8.270 nan 0.000 0.400 20 I N 4.717 125.125 120.570 -0.269 0.000 2.321 20 I HA 0.155 4.326 4.170 0.002 0.000 0.291 20 I C -0.581 175.347 176.117 -0.315 0.000 0.998 20 I CA -0.649 60.452 61.300 -0.331 0.000 1.227 20 I CB 0.757 38.558 38.000 -0.332 0.000 1.368 20 I HN 0.607 nan 8.210 nan 0.000 0.466 21 F N 6.394 125.988 119.950 -0.594 0.000 2.499 21 F HA 0.148 4.676 4.527 0.002 0.000 0.353 21 F C 1.677 177.241 175.800 -0.394 0.000 1.196 21 F CA -0.094 57.636 58.000 -0.450 0.000 1.244 21 F CB 0.187 38.984 39.000 -0.339 0.000 1.577 21 F HN 0.576 nan 8.300 nan 0.000 0.614 22 T N 1.069 115.394 114.554 -0.380 0.000 2.515 22 T HA -0.425 3.926 4.350 0.002 0.000 0.246 22 T C 1.658 176.281 174.700 -0.128 0.000 1.268 22 T CA 2.336 64.238 62.100 -0.330 0.000 1.136 22 T CB -0.548 67.804 68.868 -0.860 0.000 0.847 22 T HN 0.616 nan 8.240 nan 0.000 0.442 23 D N 0.601 120.949 120.400 -0.087 0.000 2.239 23 D HA -0.139 4.502 4.640 0.002 0.000 0.202 23 D C 1.916 178.317 176.300 0.169 0.000 0.993 23 D CA 0.918 55.013 54.000 0.158 0.000 0.874 23 D CB 0.067 41.030 40.800 0.272 0.000 0.922 23 D HN 0.298 nan 8.370 nan 0.000 0.464 24 R N -0.946 119.642 120.500 0.147 0.000 2.432 24 R HA 0.099 4.440 4.340 0.002 0.000 0.260 24 R C 0.909 177.275 176.300 0.110 0.000 0.935 24 R CA -0.199 55.979 56.100 0.130 0.000 1.080 24 R CB -0.123 30.297 30.300 0.201 0.000 1.155 24 R HN 0.258 nan 8.270 nan 0.000 0.531 25 F N 0.989 120.893 119.950 -0.076 0.000 2.202 25 F HA 0.259 4.787 4.527 0.001 0.000 0.279 25 F C 0.460 176.392 175.800 0.221 0.000 1.077 25 F CA 0.285 58.310 58.000 0.042 0.000 1.193 25 F CB 0.343 39.359 39.000 0.027 0.000 1.090 25 F HN -0.183 nan 8.300 nan 0.000 0.516 26 S N -0.516 115.253 115.700 0.114 0.000 2.548 26 S HA 0.249 4.720 4.470 0.002 0.000 0.278 26 S C -1.979 172.669 174.600 0.081 0.000 1.150 26 S CA -0.808 57.409 58.200 0.028 0.000 0.907 26 S CB 0.982 64.084 63.200 -0.162 0.000 1.108 26 S HN 0.237 nan 8.310 nan 0.000 0.459 27 D N 3.256 123.701 120.400 0.076 0.000 2.500 27 D HA 0.447 5.088 4.640 0.002 0.000 0.219 27 D C 1.213 177.545 176.300 0.053 0.000 1.137 27 D CA -0.025 54.026 54.000 0.084 0.000 0.946 27 D CB 0.412 41.280 40.800 0.113 0.000 1.022 27 D HN 0.631 nan 8.370 nan 0.000 0.518 28 G N 3.222 112.054 108.800 0.053 0.000 2.511 28 G HA2 -0.149 3.812 3.960 0.002 0.000 0.217 28 G HA3 -0.149 3.812 3.960 0.002 0.000 0.217 28 G C 0.682 175.603 174.900 0.037 0.000 1.133 28 G CA -0.112 45.011 45.100 0.038 0.000 0.792 28 G HN 0.508 nan 8.290 nan 0.000 0.539 29 N N -0.494 118.229 118.700 0.039 0.000 2.577 29 N HA 0.355 5.096 4.740 0.002 0.000 0.275 29 N C -2.335 173.173 175.510 -0.003 0.000 1.091 29 N CA -2.041 51.021 53.050 0.020 0.000 0.843 29 N CB 2.299 40.805 38.487 0.030 0.000 1.295 29 N HN -0.239 nan 8.380 nan 0.000 0.530 30 P HA 0.079 nan 4.420 nan 0.000 0.229 30 P C 0.858 178.099 177.300 -0.098 0.000 1.160 30 P CA 0.482 63.549 63.100 -0.054 0.000 0.777 30 P CB 0.248 31.928 31.700 -0.033 0.000 0.814 31 A N 1.231 124.012 122.820 -0.066 0.000 2.070 31 A HA -0.185 4.136 4.320 0.002 0.000 0.220 31 A C 1.795 179.322 177.584 -0.095 0.000 1.159 31 A CA 1.769 53.762 52.037 -0.073 0.000 0.656 31 A CB -1.288 17.687 19.000 -0.042 0.000 0.800 31 A HN 0.327 nan 8.150 nan 0.000 0.453 32 N N -0.602 118.041 118.700 -0.095 0.000 2.299 32 N HA 0.006 4.747 4.740 0.002 0.000 0.187 32 N C -0.314 175.090 175.510 -0.178 0.000 1.099 32 N CA -0.271 52.710 53.050 -0.114 0.000 0.867 32 N CB -0.510 37.929 38.487 -0.080 0.000 0.974 32 N HN 0.163 nan 8.380 nan 0.000 0.477 33 N N 2.135 120.701 118.700 -0.223 0.000 2.395 33 N HA 0.124 4.865 4.740 0.002 0.000 0.246 33 N C -2.202 173.057 175.510 -0.419 0.000 1.246 33 N CA -0.552 52.277 53.050 -0.368 0.000 0.879 33 N CB 0.127 38.232 38.487 -0.636 0.000 1.098 33 N HN 0.225 nan 8.380 nan 0.000 0.444 34 P HA 0.178 nan 4.420 nan 0.000 0.275 34 P C -0.025 177.116 177.300 -0.265 0.000 1.266 34 P CA -0.219 62.714 63.100 -0.278 0.000 0.793 34 P CB 0.525 32.096 31.700 -0.215 0.000 1.074 35 T N -3.467 111.025 114.554 -0.104 0.000 2.926 35 T HA 0.673 5.024 4.350 0.002 0.000 0.289 35 T C 0.503 175.243 174.700 0.067 0.000 1.054 35 T CA 0.014 62.087 62.100 -0.044 0.000 1.015 35 T CB 1.156 69.982 68.868 -0.070 0.000 1.167 35 T HN 0.728 nan 8.240 nan 0.000 0.526 36 G N 0.953 109.806 108.800 0.087 0.000 2.574 36 G HA2 -0.002 3.959 3.960 0.002 0.000 0.282 36 G HA3 -0.002 3.959 3.960 0.002 0.000 0.282 36 G C 1.170 176.145 174.900 0.125 0.000 1.257 36 G CA 0.615 45.769 45.100 0.090 0.000 0.956 36 G HN 1.915 nan 8.290 nan 0.000 0.560 37 A N -0.599 122.275 122.820 0.089 0.000 2.234 37 A HA 0.328 4.649 4.320 0.002 0.000 0.216 37 A C 2.595 180.247 177.584 0.113 0.000 1.167 37 A CA 2.673 54.760 52.037 0.084 0.000 0.698 37 A CB -0.635 18.400 19.000 0.059 0.000 0.779 37 A HN 2.275 nan 8.150 nan 0.000 0.475 38 A N -2.143 120.773 122.820 0.159 0.000 2.275 38 A HA 0.524 4.845 4.320 0.002 0.000 0.212 38 A C 0.239 178.021 177.584 0.331 0.000 1.201 38 A CA -0.042 52.130 52.037 0.225 0.000 0.843 38 A CB -0.158 18.977 19.000 0.225 0.000 0.873 38 A HN 0.540 nan 8.150 nan 0.000 0.492 39 F N -0.616 119.391 119.950 0.096 0.000 2.588 39 F HA 0.623 5.152 4.527 0.003 0.000 0.314 39 F C -1.718 174.114 175.800 0.052 0.000 1.069 39 F CA -1.385 56.671 58.000 0.094 0.000 0.931 39 F CB 1.965 41.001 39.000 0.061 0.000 1.260 39 F HN -0.052 nan 8.300 nan 0.000 0.465 40 D N 2.835 122.582 120.400 -1.088 0.000 2.381 40 D HA 0.243 4.884 4.640 0.002 0.000 0.245 40 D C 0.890 176.537 176.300 -1.089 0.000 1.297 40 D CA 0.104 53.604 54.000 -0.833 0.000 0.931 40 D CB 0.967 41.544 40.800 -0.372 0.000 1.334 40 D HN 0.748 nan 8.370 nan 0.000 0.535 41 G N 1.535 109.588 108.800 -1.246 0.000 2.499 41 G HA2 -0.290 3.671 3.960 0.002 0.000 0.221 41 G HA3 -0.290 3.671 3.960 0.002 0.000 0.221 41 G C 1.344 176.135 174.900 -0.182 0.000 1.109 41 G CA 1.646 46.489 45.100 -0.428 0.000 0.749 41 G HN 0.536 nan 8.290 nan 0.000 0.568 42 T N -4.061 110.377 114.554 -0.193 0.000 3.067 42 T HA 0.040 4.391 4.350 0.002 0.000 0.261 42 T C 1.323 175.956 174.700 -0.112 0.000 1.110 42 T CA 0.730 62.766 62.100 -0.106 0.000 1.113 42 T CB -0.486 68.334 68.868 -0.080 0.000 0.917 42 T HN 0.622 nan 8.240 nan 0.000 0.499 43 c N 1.575 120.072 118.600 -0.172 0.000 4.454 43 c HA -0.197 4.374 4.570 0.002 0.000 0.298 43 c C 1.654 175.678 174.090 -0.111 0.000 1.384 43 c CA 0.888 57.132 56.329 -0.142 0.000 2.002 43 c CB -2.685 39.776 42.510 -0.082 0.000 1.249 43 c HN 0.794 nan 8.230 nan 0.000 0.783 44 T N -0.234 114.250 114.554 -0.116 0.000 2.894 44 T HA -0.038 4.313 4.350 0.002 0.000 0.258 44 T C 0.778 175.424 174.700 -0.090 0.000 1.043 44 T CA 1.413 63.462 62.100 -0.085 0.000 1.141 44 T CB -0.176 68.650 68.868 -0.071 0.000 0.873 44 T HN 0.690 nan 8.240 nan 0.000 0.449 45 N N 1.968 120.600 118.700 -0.115 0.000 2.437 45 N HA 0.158 4.899 4.740 0.002 0.000 0.243 45 N C 0.311 175.714 175.510 -0.178 0.000 1.041 45 N CA -0.205 52.775 53.050 -0.116 0.000 0.940 45 N CB 0.444 38.871 38.487 -0.099 0.000 1.133 45 N HN 0.228 nan 8.380 nan 0.000 0.506 46 L N 3.051 124.170 121.223 -0.174 0.000 2.675 46 L HA 0.156 4.497 4.340 0.002 0.000 0.239 46 L C 1.482 178.058 176.870 -0.490 0.000 1.151 46 L CA 0.288 54.966 54.840 -0.270 0.000 0.905 46 L CB -0.087 41.886 42.059 -0.144 0.000 1.057 46 L HN 0.357 nan 8.230 nan 0.000 0.435 47 R N -0.177 120.106 120.500 -0.362 0.000 2.397 47 R HA 0.361 4.702 4.340 0.002 0.000 0.241 47 R C -0.150 175.951 176.300 -0.331 0.000 0.914 47 R CA 0.026 55.937 56.100 -0.315 0.000 1.071 47 R CB 0.486 30.778 30.300 -0.013 0.000 1.116 47 R HN 0.253 nan 8.270 nan 0.000 0.524 48 L N -0.575 120.416 121.223 -0.385 0.000 2.323 48 L HA 0.436 4.777 4.340 0.002 0.000 0.265 48 L C -0.428 176.314 176.870 -0.213 0.000 1.012 48 L CA -1.453 53.274 54.840 -0.188 0.000 0.820 48 L CB 0.868 42.888 42.059 -0.065 0.000 1.334 48 L HN -0.130 nan 8.230 nan 0.000 0.427 49 Y N -0.519 119.795 120.300 0.023 0.000 2.712 49 Y HA -0.083 4.468 4.550 0.003 0.000 0.333 49 Y C 1.014 176.944 175.900 0.051 0.000 1.225 49 Y CA 0.201 58.385 58.100 0.139 0.000 1.499 49 Y CB 0.575 39.196 38.460 0.269 0.000 1.288 49 Y HN 0.577 nan 8.280 nan 0.000 0.575 50 c N 0.787 119.516 118.600 0.215 0.000 3.019 50 c HA 0.339 4.910 4.570 0.002 0.000 0.295 50 c C 1.726 176.037 174.090 0.368 0.000 1.256 50 c CA 0.494 56.858 56.329 0.059 0.000 1.706 50 c CB -0.355 42.160 42.510 0.008 0.000 2.153 50 c HN 1.206 nan 8.230 nan 0.000 0.618 51 G N 0.153 109.247 108.800 0.490 0.000 2.255 51 G HA2 -0.035 3.926 3.960 0.002 0.000 0.196 51 G HA3 -0.035 3.926 3.960 0.002 0.000 0.196 51 G C 0.406 175.445 174.900 0.231 0.000 0.998 51 G CA -0.123 45.215 45.100 0.397 0.000 0.656 51 G HN 0.755 nan 8.290 nan 0.000 0.490 52 G N 1.069 109.999 108.800 0.217 0.000 2.225 52 G HA2 0.486 4.447 3.960 0.002 0.000 0.245 52 G HA3 0.486 4.447 3.960 0.002 0.000 0.245 52 G C 0.051 175.010 174.900 0.099 0.000 1.249 52 G CA 1.188 46.377 45.100 0.148 0.000 0.919 52 G HN 1.011 nan 8.290 nan 0.000 0.486 53 D N 0.274 120.716 120.400 0.069 0.000 2.652 53 D HA 0.289 4.930 4.640 0.002 0.000 0.285 53 D C 0.588 176.949 176.300 0.101 0.000 1.173 53 D CA -0.971 53.024 54.000 -0.008 0.000 0.981 53 D CB 0.300 41.109 40.800 0.015 0.000 1.440 53 D HN 0.288 nan 8.370 nan 0.000 0.485 54 W N -0.365 121.003 121.300 0.115 0.000 2.358 54 W HA -0.071 4.589 4.660 -0.000 0.000 0.303 54 W C 2.171 178.739 176.519 0.083 0.000 1.208 54 W CA 1.198 58.603 57.345 0.101 0.000 1.274 54 W CB -1.042 28.511 29.460 0.154 0.000 1.138 54 W HN 0.569 nan 8.180 nan 0.000 0.515 55 Q N 0.364 120.338 119.800 0.291 0.000 2.135 55 Q HA -0.101 4.240 4.340 0.002 0.000 0.204 55 Q C 2.351 178.430 176.000 0.132 0.000 0.981 55 Q CA 2.487 58.395 55.803 0.174 0.000 0.856 55 Q CB -1.040 27.773 28.738 0.124 0.000 0.902 55 Q HN 0.168 nan 8.270 nan 0.000 0.425 56 G N 0.290 109.173 108.800 0.138 0.000 2.440 56 G HA2 -0.243 3.718 3.960 0.002 0.000 0.218 56 G HA3 -0.243 3.718 3.960 0.002 0.000 0.218 56 G C 1.399 176.391 174.900 0.154 0.000 1.154 56 G CA 1.101 46.262 45.100 0.101 0.000 0.767 56 G HN 0.436 nan 8.290 nan 0.000 0.552 57 I N 0.595 121.327 120.570 0.270 0.000 2.226 57 I HA -0.109 4.062 4.170 0.002 0.000 0.245 57 I C 2.623 178.846 176.117 0.177 0.000 1.100 57 I CA 0.711 62.199 61.300 0.312 0.000 1.374 57 I CB -0.197 37.963 38.000 0.266 0.000 1.057 57 I HN 0.132 nan 8.210 nan 0.000 0.413 58 I N 0.857 121.502 120.570 0.125 0.000 2.208 58 I HA -0.329 3.842 4.170 0.002 0.000 0.245 58 I C 2.194 178.336 176.117 0.041 0.000 1.097 58 I CA 1.357 62.695 61.300 0.063 0.000 1.363 58 I CB -0.601 37.431 38.000 0.054 0.000 1.051 58 I HN 0.313 nan 8.210 nan 0.000 0.413 59 N N 0.789 119.506 118.700 0.029 0.000 2.120 59 N HA -0.168 4.573 4.740 0.002 0.000 0.188 59 N C 1.825 177.305 175.510 -0.049 0.000 1.024 59 N CA 1.144 54.180 53.050 -0.024 0.000 0.852 59 N CB -0.309 38.143 38.487 -0.058 0.000 1.003 59 N HN 0.169 nan 8.380 nan 0.000 0.424 60 K N 1.157 121.538 120.400 -0.032 0.000 2.147 60 K HA 0.082 4.403 4.320 0.002 0.000 0.205 60 K C 2.070 178.722 176.600 0.086 0.000 1.049 60 K CA 0.425 56.707 56.287 -0.009 0.000 0.936 60 K CB -0.520 32.098 32.500 0.196 0.000 0.722 60 K HN 0.274 nan 8.250 nan 0.000 0.446 61 I N 1.177 121.795 120.570 0.080 0.000 2.202 61 I HA -0.283 3.888 4.170 0.002 0.000 0.242 61 I C 1.470 177.601 176.117 0.024 0.000 1.091 61 I CA 1.058 62.387 61.300 0.049 0.000 1.368 61 I CB -0.236 37.782 38.000 0.031 0.000 1.058 61 I HN 0.166 nan 8.210 nan 0.000 0.410 62 N N 1.107 119.815 118.700 0.013 0.000 2.188 62 N HA -0.169 4.572 4.740 0.002 0.000 0.184 62 N C 1.142 176.653 175.510 0.002 0.000 1.018 62 N CA 1.498 54.550 53.050 0.003 0.000 0.858 62 N CB -0.662 37.823 38.487 -0.003 0.000 0.989 62 N HN 0.504 nan 8.380 nan 0.000 0.426 63 D N -0.351 120.046 120.400 -0.005 0.000 2.338 63 D HA 0.092 4.733 4.640 0.002 0.000 0.239 63 D C 1.135 177.456 176.300 0.036 0.000 1.095 63 D CA 0.461 54.457 54.000 -0.006 0.000 0.888 63 D CB -0.646 40.122 40.800 -0.053 0.000 0.899 63 D HN 0.240 nan 8.370 nan 0.000 0.525 64 G N -0.365 108.462 108.800 0.045 0.000 2.166 64 G HA2 -0.463 3.498 3.960 0.002 0.000 0.260 64 G HA3 -0.463 3.498 3.960 0.002 0.000 0.260 64 G C 0.603 175.571 174.900 0.113 0.000 0.986 64 G CA 0.615 45.748 45.100 0.057 0.000 0.683 64 G HN 0.430 nan 8.290 nan 0.000 0.527 65 Y N 0.571 120.883 120.300 0.020 0.000 2.114 65 Y HA 0.070 4.621 4.550 0.001 0.000 0.284 65 Y C 2.635 178.598 175.900 0.105 0.000 1.143 65 Y CA 2.302 60.459 58.100 0.095 0.000 1.135 65 Y CB -0.426 38.064 38.460 0.049 0.000 0.980 65 Y HN 0.279 nan 8.280 nan 0.000 0.499 66 L N -0.724 120.445 121.223 -0.088 0.000 2.044 66 L HA -0.170 4.171 4.340 0.002 0.000 0.205 66 L C 2.735 179.468 176.870 -0.229 0.000 1.075 66 L CA 1.804 56.474 54.840 -0.284 0.000 0.747 66 L CB -1.336 40.620 42.059 -0.172 0.000 0.903 66 L HN 0.348 nan 8.230 nan 0.000 0.435 67 T N -0.959 113.530 114.554 -0.109 0.000 2.652 67 T HA -0.183 4.168 4.350 0.002 0.000 0.267 67 T C 1.945 176.587 174.700 -0.098 0.000 1.039 67 T CA 1.592 63.638 62.100 -0.089 0.000 1.153 67 T CB -0.924 67.918 68.868 -0.042 0.000 0.863 67 T HN 0.406 nan 8.240 nan 0.000 0.428 68 G N 0.439 109.210 108.800 -0.048 0.000 2.479 68 G HA2 -0.144 3.817 3.960 0.002 0.000 0.220 68 G HA3 -0.144 3.817 3.960 0.002 0.000 0.220 68 G C 1.580 176.426 174.900 -0.091 0.000 1.115 68 G CA 0.915 46.021 45.100 0.011 0.000 0.757 68 G HN 0.590 nan 8.290 nan 0.000 0.560 69 M N -0.236 119.165 119.600 -0.331 0.000 2.514 69 M HA 0.255 4.736 4.480 0.002 0.000 0.258 69 M C 1.709 177.771 176.300 -0.398 0.000 1.119 69 M CA 1.129 56.015 55.300 -0.690 0.000 1.111 69 M CB 0.423 32.426 32.600 -0.995 0.000 1.390 69 M HN 0.348 nan 8.290 nan 0.000 0.475 70 G N 0.486 109.132 108.800 -0.257 0.000 2.144 70 G HA2 -0.177 3.784 3.960 0.002 0.000 0.218 70 G HA3 -0.177 3.784 3.960 0.002 0.000 0.218 70 G C -0.087 174.714 174.900 -0.165 0.000 0.988 70 G CA 0.007 44.997 45.100 -0.183 0.000 0.659 70 G HN 0.310 nan 8.290 nan 0.000 0.522 71 V N 1.583 121.387 119.914 -0.184 0.000 2.637 71 V HA 0.487 4.608 4.120 0.002 0.000 0.296 71 V C 1.619 177.657 176.094 -0.093 0.000 1.046 71 V CA 1.453 63.678 62.300 -0.125 0.000 1.066 71 V CB 1.441 33.168 31.823 -0.159 0.000 0.968 71 V HN 0.831 nan 8.190 nan 0.000 0.483 72 T N 0.718 115.231 114.554 -0.069 0.000 3.091 72 T HA 0.691 5.042 4.350 0.002 0.000 0.277 72 T C -0.046 174.617 174.700 -0.061 0.000 0.996 72 T CA 0.367 62.415 62.100 -0.086 0.000 0.897 72 T CB 0.426 69.212 68.868 -0.137 0.000 1.109 72 T HN 1.144 nan 8.240 nan 0.000 0.534 73 A N 1.366 124.201 122.820 0.025 0.000 2.594 73 A HA 0.705 5.026 4.320 0.002 0.000 0.296 73 A C -1.405 176.310 177.584 0.218 0.000 1.056 73 A CA -1.206 50.904 52.037 0.120 0.000 0.693 73 A CB 0.791 19.888 19.000 0.161 0.000 1.278 73 A HN 0.666 nan 8.150 nan 0.000 0.408 74 I N -2.023 118.701 120.570 0.257 0.000 2.740 74 I HA 0.860 5.032 4.170 0.002 0.000 0.303 74 I C -0.875 175.478 176.117 0.393 0.000 1.044 74 I CA -0.808 60.667 61.300 0.292 0.000 1.064 74 I CB 2.122 40.235 38.000 0.189 0.000 1.249 74 I HN 0.762 nan 8.210 nan 0.000 0.433 75 W N 7.980 129.379 121.300 0.166 0.000 2.393 75 W HA 0.696 5.357 4.660 0.001 0.000 0.315 75 W C -1.237 175.333 176.519 0.085 0.000 1.009 75 W CA -1.927 55.520 57.345 0.169 0.000 1.313 75 W CB 0.688 30.287 29.460 0.232 0.000 1.269 75 W HN 0.621 nan 8.180 nan 0.000 0.420 76 I N 2.673 123.466 120.570 0.371 0.000 2.793 76 I HA 0.657 4.828 4.170 0.002 0.000 0.313 76 I C 0.483 176.653 176.117 0.088 0.000 0.998 76 I CA -0.761 60.611 61.300 0.120 0.000 1.140 76 I CB 1.506 39.586 38.000 0.134 0.000 1.327 76 I HN 0.223 nan 8.210 nan 0.000 0.491 77 S N 2.199 117.796 115.700 -0.172 0.000 2.580 77 S HA -0.012 4.459 4.470 0.002 0.000 0.266 77 S C 0.014 174.577 174.600 -0.061 0.000 1.354 77 S CA -0.475 57.545 58.200 -0.300 0.000 1.008 77 S CB 0.280 63.130 63.200 -0.583 0.000 0.898 77 S HN 0.736 nan 8.310 nan 0.000 0.555 78 Q N 2.057 121.757 119.800 -0.166 0.000 2.262 78 Q HA 0.005 4.346 4.340 0.002 0.000 0.298 78 Q C -1.517 174.516 176.000 0.055 0.000 1.083 78 Q CA -1.242 54.514 55.803 -0.079 0.000 0.962 78 Q CB 0.527 29.169 28.738 -0.162 0.000 1.104 78 Q HN 0.354 nan 8.270 nan 0.000 0.376 79 P HA -0.078 nan 4.420 nan 0.000 0.225 79 P C 0.433 177.768 177.300 0.058 0.000 1.156 79 P CA 0.428 63.630 63.100 0.169 0.000 0.787 79 P CB -0.282 31.183 31.700 -0.392 0.000 0.802 80 V N -1.172 118.656 119.914 -0.143 0.000 3.178 80 V HA 0.048 4.169 4.120 0.002 0.000 0.306 80 V C 0.557 176.628 176.094 -0.038 0.000 1.107 80 V CA -0.728 61.612 62.300 0.067 0.000 1.195 80 V CB -0.228 31.571 31.823 -0.040 0.000 0.993 80 V HN 0.023 nan 8.190 nan 0.000 0.493 81 E N 2.827 123.032 120.200 0.009 0.000 2.366 81 E HA 0.107 4.458 4.350 0.002 0.000 0.266 81 E C -0.100 176.385 176.600 -0.191 0.000 1.015 81 E CA 0.046 56.390 56.400 -0.092 0.000 0.906 81 E CB 0.258 29.960 29.700 0.003 0.000 0.979 81 E HN 0.886 nan 8.360 nan 0.000 0.443 82 N N 3.002 121.520 118.700 -0.303 0.000 2.518 82 N HA 0.309 5.050 4.740 0.002 0.000 0.284 82 N C 0.220 175.502 175.510 -0.381 0.000 1.230 82 N CA -0.755 52.145 53.050 -0.250 0.000 0.941 82 N CB 1.018 39.375 38.487 -0.217 0.000 1.219 82 N HN 0.474 nan 8.380 nan 0.000 0.560 83 I N -1.228 119.253 120.570 -0.148 0.000 3.112 83 I HA -0.013 4.158 4.170 0.002 0.000 0.284 83 I C -0.116 175.833 176.117 -0.281 0.000 1.227 83 I CA 0.071 61.289 61.300 -0.137 0.000 1.369 83 I CB 0.320 38.348 38.000 0.047 0.000 1.376 83 I HN 0.633 nan 8.210 nan 0.000 0.608 84 Y N 1.444 121.777 120.300 0.054 0.000 2.462 84 Y HA 0.153 4.704 4.550 0.002 0.000 0.253 84 Y C 1.610 177.538 175.900 0.047 0.000 1.095 84 Y CA -0.038 58.082 58.100 0.033 0.000 1.283 84 Y CB -0.234 38.214 38.460 -0.020 0.000 1.138 84 Y HN 0.617 nan 8.280 nan 0.000 0.522 85 S N 1.344 117.132 115.700 0.147 0.000 2.569 85 S HA 0.152 4.623 4.470 0.002 0.000 0.274 85 S C -0.047 174.601 174.600 0.079 0.000 1.353 85 S CA -0.172 58.063 58.200 0.059 0.000 1.023 85 S CB 0.703 63.868 63.200 -0.059 0.000 0.876 85 S HN 0.179 nan 8.310 nan 0.000 0.540 86 I N 1.506 122.098 120.570 0.037 0.000 2.442 86 I HA 0.244 4.415 4.170 0.002 0.000 0.279 86 I C -0.625 175.475 176.117 -0.028 0.000 1.081 86 I CA -0.499 60.839 61.300 0.062 0.000 1.197 86 I CB 0.086 38.130 38.000 0.073 0.000 1.394 86 I HN 0.528 nan 8.210 nan 0.000 0.488 87 I N 5.028 125.551 120.570 -0.078 0.000 2.752 87 I HA -0.119 4.053 4.170 0.002 0.000 0.286 87 I C 1.034 176.983 176.117 -0.281 0.000 1.180 87 I CA 0.612 61.720 61.300 -0.320 0.000 1.404 87 I CB -0.181 37.489 38.000 -0.550 0.000 1.389 87 I HN 0.537 nan 8.210 nan 0.000 0.549 88 N N 7.222 125.789 118.700 -0.221 0.000 2.521 88 N HA 0.067 4.808 4.740 0.002 0.000 0.236 88 N C -1.214 174.237 175.510 -0.097 0.000 1.067 88 N CA -0.348 52.646 53.050 -0.094 0.000 0.939 88 N CB 0.374 38.850 38.487 -0.018 0.000 1.201 88 N HN 0.329 nan 8.380 nan 0.000 0.511 89 Y N 2.031 122.407 120.300 0.127 0.000 2.691 89 Y HA 0.120 4.671 4.550 0.002 0.000 0.338 89 Y C 0.784 176.719 175.900 0.059 0.000 1.148 89 Y CA -0.490 57.668 58.100 0.097 0.000 1.430 89 Y CB 0.026 38.545 38.460 0.099 0.000 1.303 89 Y HN 0.424 nan 8.280 nan 0.000 0.499 90 S N 2.255 118.060 115.700 0.174 0.000 3.766 90 S HA -0.133 4.338 4.470 0.002 0.000 0.416 90 S C 1.244 175.895 174.600 0.085 0.000 0.902 90 S CA 0.734 58.998 58.200 0.106 0.000 1.283 90 S CB -1.419 61.838 63.200 0.095 0.000 0.891 90 S HN 1.464 nan 8.310 nan 0.000 0.556 91 G N -1.160 107.682 108.800 0.070 0.000 2.166 91 G HA2 -0.285 3.676 3.960 0.002 0.000 0.260 91 G HA3 -0.285 3.676 3.960 0.002 0.000 0.260 91 G C 0.086 175.024 174.900 0.063 0.000 0.986 91 G CA 0.218 45.350 45.100 0.054 0.000 0.683 91 G HN 1.389 nan 8.290 nan 0.000 0.527 92 V N 1.475 121.445 119.914 0.092 0.000 2.326 92 V HA 0.357 4.478 4.120 0.002 0.000 0.281 92 V C -0.061 176.103 176.094 0.117 0.000 1.015 92 V CA -1.420 60.944 62.300 0.105 0.000 0.823 92 V CB 1.412 33.315 31.823 0.133 0.000 1.009 92 V HN 0.301 nan 8.190 nan 0.000 0.436 93 N N 4.418 123.168 118.700 0.083 0.000 2.497 93 N HA 0.259 5.000 4.740 0.002 0.000 0.268 93 N C -0.398 175.188 175.510 0.126 0.000 1.171 93 N CA 0.251 53.348 53.050 0.080 0.000 0.948 93 N CB 0.636 39.157 38.487 0.057 0.000 1.069 93 N HN 0.629 nan 8.380 nan 0.000 0.460 94 N N 0.220 119.022 118.700 0.169 0.000 2.258 94 N HA 0.367 5.108 4.740 0.002 0.000 0.299 94 N C -0.520 175.159 175.510 0.281 0.000 1.047 94 N CA -0.390 52.830 53.050 0.282 0.000 0.814 94 N CB 2.236 41.042 38.487 0.532 0.000 1.413 94 N HN 0.508 nan 8.380 nan 0.000 0.478 95 T N -2.585 112.091 114.554 0.203 0.000 2.930 95 T HA 0.574 4.925 4.350 0.002 0.000 0.290 95 T C 0.521 175.062 174.700 -0.265 0.000 1.052 95 T CA -0.803 61.375 62.100 0.131 0.000 1.017 95 T CB 1.763 70.717 68.868 0.144 0.000 1.137 95 T HN 0.365 nan 8.240 nan 0.000 0.511 96 A N 0.897 123.541 122.820 -0.293 0.000 2.346 96 A HA 0.247 4.568 4.320 0.002 0.000 0.242 96 A C 1.340 178.298 177.584 -1.043 0.000 1.323 96 A CA -0.122 51.431 52.037 -0.807 0.000 0.940 96 A CB -1.638 17.264 19.000 -0.164 0.000 0.943 96 A HN 0.981 nan 8.150 nan 0.000 0.501 97 Y N -0.001 119.487 120.300 -1.354 0.000 2.241 97 Y HA -0.340 4.210 4.550 0.001 0.000 0.286 97 Y C 1.812 177.343 175.900 -0.615 0.000 1.166 97 Y CA 1.760 59.033 58.100 -1.379 0.000 1.203 97 Y CB -1.246 36.621 38.460 -0.989 0.000 0.977 97 Y HN 0.645 nan 8.280 nan 0.000 0.529 98 H N -1.238 116.997 119.070 -1.392 0.000 2.547 98 H HA 0.322 4.879 4.556 0.002 0.000 0.272 98 H C 2.015 176.835 175.328 -0.847 0.000 0.989 98 H CA -0.325 55.094 56.048 -1.049 0.000 1.214 98 H CB -0.818 28.455 29.762 -0.815 0.000 1.389 98 H HN 0.440 nan 8.280 nan 0.000 0.577 99 G N -0.092 108.449 108.800 -0.432 0.000 2.155 99 G HA2 -0.393 3.568 3.960 0.002 0.000 0.257 99 G HA3 -0.393 3.568 3.960 0.002 0.000 0.257 99 G C 0.392 175.126 174.900 -0.277 0.000 0.983 99 G CA 0.663 45.572 45.100 -0.319 0.000 0.676 99 G HN 0.528 nan 8.290 nan 0.000 0.528 100 Y N -1.359 118.933 120.300 -0.013 0.000 2.490 100 Y HA 0.305 4.856 4.550 0.002 0.000 0.281 100 Y C 1.038 177.127 175.900 0.314 0.000 1.174 100 Y CA -0.300 57.809 58.100 0.015 0.000 1.295 100 Y CB 0.255 38.630 38.460 -0.141 0.000 1.062 100 Y HN 0.421 nan 8.280 nan 0.000 0.522 101 W N 1.365 122.800 121.300 0.225 0.000 1.906 101 W HA 0.666 5.326 4.660 0.001 0.000 0.311 101 W C 0.233 176.740 176.519 -0.020 0.000 0.785 101 W CA -2.088 55.340 57.345 0.139 0.000 1.899 101 W CB -0.869 28.668 29.460 0.129 0.000 2.111 101 W HN -0.167 nan 8.180 nan 0.000 0.352 102 A N 2.101 124.978 122.820 0.095 0.000 2.466 102 A HA 0.409 4.730 4.320 0.002 0.000 0.238 102 A C 1.349 178.880 177.584 -0.088 0.000 1.074 102 A CA 0.156 52.069 52.037 -0.207 0.000 0.774 102 A CB 0.490 19.024 19.000 -0.777 0.000 1.015 102 A HN 0.661 nan 8.150 nan 0.000 0.498 103 R N -0.384 120.070 120.500 -0.077 0.000 2.556 103 R HA 0.310 4.651 4.340 0.002 0.000 0.276 103 R C -0.964 175.495 176.300 0.265 0.000 0.931 103 R CA 0.227 56.409 56.100 0.137 0.000 1.061 103 R CB 0.761 31.173 30.300 0.188 0.000 1.432 103 R HN 0.480 nan 8.270 nan 0.000 0.547 104 D N -0.113 120.358 120.400 0.119 0.000 2.300 104 D HA 0.127 4.768 4.640 0.002 0.000 0.218 104 D C -0.531 175.927 176.300 0.264 0.000 1.326 104 D CA -0.567 53.621 54.000 0.313 0.000 0.942 104 D CB 0.512 41.490 40.800 0.297 0.000 1.495 104 D HN -0.031 nan 8.370 nan 0.000 0.545 105 F N 1.613 121.841 119.950 0.464 0.000 2.451 105 F HA 0.043 4.571 4.527 0.002 0.000 0.299 105 F C 2.310 178.410 175.800 0.499 0.000 1.101 105 F CA 0.644 58.915 58.000 0.452 0.000 1.436 105 F CB 0.178 39.385 39.000 0.345 0.000 1.074 105 F HN 0.152 nan 8.300 nan 0.000 0.553 106 K N 0.190 120.873 120.400 0.473 0.000 2.400 106 K HA 0.061 4.382 4.320 0.002 0.000 0.194 106 K C 0.611 177.275 176.600 0.107 0.000 1.033 106 K CA 0.471 56.879 56.287 0.201 0.000 1.021 106 K CB 0.253 32.859 32.500 0.178 0.000 0.808 106 K HN 0.190 nan 8.250 nan 0.000 0.505 107 K N 1.095 121.633 120.400 0.231 0.000 2.245 107 K HA 0.219 4.540 4.320 0.002 0.000 0.234 107 K C 0.401 177.191 176.600 0.316 0.000 1.021 107 K CA -0.377 56.017 56.287 0.179 0.000 0.898 107 K CB 1.532 34.116 32.500 0.140 0.000 1.163 107 K HN -0.039 nan 8.250 nan 0.000 0.459 108 T N -1.641 113.079 114.554 0.277 0.000 2.950 108 T HA 0.202 4.553 4.350 0.002 0.000 0.288 108 T C 0.018 174.788 174.700 0.118 0.000 1.035 108 T CA -0.839 61.486 62.100 0.376 0.000 1.028 108 T CB 1.117 70.317 68.868 0.554 0.000 1.109 108 T HN 0.391 nan 8.240 nan 0.000 0.514 109 N N 2.755 121.427 118.700 -0.047 0.000 2.399 109 N HA 0.228 4.969 4.740 0.002 0.000 0.259 109 N C -1.441 173.864 175.510 -0.341 0.000 1.160 109 N CA -2.262 50.582 53.050 -0.343 0.000 0.946 109 N CB 1.060 39.067 38.487 -0.801 0.000 1.156 109 N HN 0.410 nan 8.380 nan 0.000 0.489 110 P HA -0.183 nan 4.420 nan 0.000 0.219 110 P C 0.738 177.913 177.300 -0.207 0.000 1.144 110 P CA 1.098 64.129 63.100 -0.114 0.000 0.806 110 P CB 0.191 31.883 31.700 -0.014 0.000 0.771 111 A N -1.370 121.249 122.820 -0.334 0.000 1.929 111 A HA -0.165 4.156 4.320 0.002 0.000 0.216 111 A C 2.017 179.498 177.584 -0.172 0.000 1.176 111 A CA 1.083 52.930 52.037 -0.317 0.000 0.628 111 A CB -1.419 17.277 19.000 -0.506 0.000 0.816 111 A HN 0.075 nan 8.150 nan 0.000 0.444 112 Y N -0.755 119.217 120.300 -0.547 0.000 2.314 112 Y HA 0.367 4.917 4.550 0.001 0.000 0.294 112 Y C 1.629 176.903 175.900 -1.044 0.000 1.119 112 Y CA 0.169 57.653 58.100 -1.028 0.000 1.179 112 Y CB -0.737 36.674 38.460 -1.749 0.000 1.025 112 Y HN 0.438 nan 8.280 nan 0.000 0.541 113 G N -1.030 107.412 108.800 -0.596 0.000 2.351 113 G HA2 0.307 4.268 3.960 0.002 0.000 0.279 113 G HA3 0.307 4.268 3.960 0.002 0.000 0.279 113 G C -0.759 174.266 174.900 0.207 0.000 1.297 113 G CA -0.400 44.685 45.100 -0.024 0.000 0.886 113 G HN 0.194 nan 8.290 nan 0.000 0.493 114 T N -1.705 113.093 114.554 0.406 0.000 2.922 114 T HA 0.631 4.982 4.350 0.002 0.000 0.281 114 T C 1.540 176.523 174.700 0.471 0.000 1.005 114 T CA -0.382 61.926 62.100 0.347 0.000 0.982 114 T CB 1.183 70.175 68.868 0.207 0.000 1.158 114 T HN 0.451 nan 8.240 nan 0.000 0.566 115 I N 0.740 121.487 120.570 0.296 0.000 2.163 115 I HA -0.140 4.031 4.170 0.002 0.000 0.243 115 I C 3.054 179.323 176.117 0.253 0.000 1.085 115 I CA 1.937 63.383 61.300 0.243 0.000 1.347 115 I CB -1.960 36.101 38.000 0.101 0.000 1.044 115 I HN 0.881 nan 8.210 nan 0.000 0.408 116 A N 0.778 123.714 122.820 0.193 0.000 1.883 116 A HA -0.243 4.078 4.320 0.002 0.000 0.217 116 A C 2.057 179.749 177.584 0.180 0.000 1.186 116 A CA 2.064 54.191 52.037 0.151 0.000 0.624 116 A CB -0.692 18.377 19.000 0.115 0.000 0.822 116 A HN 0.389 nan 8.150 nan 0.000 0.444 117 D N -1.120 119.441 120.400 0.269 0.000 2.092 117 D HA -0.175 4.466 4.640 0.002 0.000 0.193 117 D C 1.690 178.151 176.300 0.268 0.000 0.994 117 D CA 1.577 55.772 54.000 0.325 0.000 0.828 117 D CB -0.498 40.610 40.800 0.514 0.000 0.963 117 D HN 0.439 nan 8.370 nan 0.000 0.450 118 F N 1.865 121.876 119.950 0.102 0.000 2.120 118 F HA -0.233 4.295 4.527 0.001 0.000 0.300 118 F C 2.514 178.205 175.800 -0.182 0.000 1.095 118 F CA 1.605 59.394 58.000 -0.352 0.000 1.249 118 F CB -0.214 38.550 39.000 -0.394 0.000 0.995 118 F HN -0.043 nan 8.300 nan 0.000 0.480 119 Q N -0.291 119.529 119.800 0.034 0.000 2.084 119 Q HA -0.213 4.128 4.340 0.002 0.000 0.202 119 Q C 1.956 177.883 176.000 -0.122 0.000 0.978 119 Q CA 1.472 57.247 55.803 -0.047 0.000 0.844 119 Q CB -0.361 28.407 28.738 0.049 0.000 0.898 119 Q HN 0.441 nan 8.270 nan 0.000 0.426 120 N N 0.746 119.412 118.700 -0.057 0.000 2.188 120 N HA -0.130 4.611 4.740 0.002 0.000 0.184 120 N C 1.765 177.203 175.510 -0.120 0.000 1.018 120 N CA 0.650 53.668 53.050 -0.053 0.000 0.858 120 N CB -0.214 38.282 38.487 0.016 0.000 0.989 120 N HN 0.151 nan 8.380 nan 0.000 0.426 121 L N 1.577 122.687 121.223 -0.187 0.000 1.994 121 L HA -0.038 4.303 4.340 0.002 0.000 0.208 121 L C 1.963 178.616 176.870 -0.362 0.000 1.071 121 L CA 1.468 56.154 54.840 -0.258 0.000 0.745 121 L CB -0.848 40.967 42.059 -0.408 0.000 0.892 121 L HN 0.072 nan 8.230 nan 0.000 0.431 122 I N -0.030 120.218 120.570 -0.538 0.000 2.208 122 I HA -0.315 3.857 4.170 0.002 0.000 0.245 122 I C 2.600 178.376 176.117 -0.568 0.000 1.097 122 I CA 1.373 62.302 61.300 -0.619 0.000 1.363 122 I CB -1.032 36.601 38.000 -0.612 0.000 1.051 122 I HN 0.442 nan 8.210 nan 0.000 0.413 123 A N 0.897 123.521 122.820 -0.328 0.000 1.877 123 A HA -0.157 4.164 4.320 0.002 0.000 0.216 123 A C 2.595 180.100 177.584 -0.133 0.000 1.186 123 A CA 1.957 53.882 52.037 -0.186 0.000 0.620 123 A CB -0.770 18.171 19.000 -0.098 0.000 0.822 123 A HN 0.438 nan 8.150 nan 0.000 0.443 124 A N -0.053 122.693 122.820 -0.125 0.000 1.865 124 A HA 0.121 4.442 4.320 0.002 0.000 0.217 124 A C 2.556 180.101 177.584 -0.066 0.000 1.191 124 A CA 2.432 54.427 52.037 -0.071 0.000 0.623 124 A CB -1.260 17.709 19.000 -0.053 0.000 0.826 124 A HN 1.136 nan 8.150 nan 0.000 0.444 125 A N -0.322 122.427 122.820 -0.117 0.000 1.849 125 A HA -0.282 4.039 4.320 0.002 0.000 0.217 125 A C 1.920 179.525 177.584 0.034 0.000 1.202 125 A CA 1.953 53.950 52.037 -0.067 0.000 0.629 125 A CB -1.439 17.488 19.000 -0.122 0.000 0.834 125 A HN 0.776 nan 8.150 nan 0.000 0.447 126 H N -0.820 118.217 119.070 -0.056 0.000 2.422 126 H HA -0.048 4.509 4.556 0.002 0.000 0.298 126 H C 2.390 177.691 175.328 -0.045 0.000 1.098 126 H CA 0.584 56.601 56.048 -0.051 0.000 1.315 126 H CB -0.056 29.678 29.762 -0.046 0.000 1.382 126 H HN 0.586 nan 8.280 nan 0.000 0.523 127 A N 1.101 123.965 122.820 0.073 0.000 1.972 127 A HA -0.112 4.209 4.320 0.002 0.000 0.219 127 A C 1.771 179.362 177.584 0.012 0.000 1.169 127 A CA 1.148 53.202 52.037 0.029 0.000 0.635 127 A CB 0.084 19.088 19.000 0.007 0.000 0.810 127 A HN 0.132 nan 8.150 nan 0.000 0.446 128 K N 0.295 120.702 120.400 0.011 0.000 2.570 128 K HA 0.110 4.431 4.320 0.002 0.000 0.210 128 K C -0.339 176.253 176.600 -0.013 0.000 1.048 128 K CA -0.321 55.963 56.287 -0.005 0.000 1.167 128 K CB -0.144 32.352 32.500 -0.008 0.000 0.892 128 K HN 0.481 nan 8.250 nan 0.000 0.480 129 N N 1.138 119.834 118.700 -0.007 0.000 2.710 129 N HA -0.227 4.514 4.740 0.002 0.000 0.249 129 N C -0.602 174.883 175.510 -0.041 0.000 1.059 129 N CA 0.823 53.851 53.050 -0.037 0.000 0.720 129 N CB -1.028 37.421 38.487 -0.062 0.000 0.983 129 N HN 0.365 nan 8.380 nan 0.000 0.544 130 I N 0.925 121.501 120.570 0.010 0.000 2.362 130 I HA 0.172 4.343 4.170 0.002 0.000 0.289 130 I C 0.672 176.837 176.117 0.079 0.000 0.994 130 I CA -0.564 60.745 61.300 0.014 0.000 1.158 130 I CB 1.443 39.451 38.000 0.015 0.000 1.315 130 I HN -0.215 nan 8.210 nan 0.000 0.451 131 K N 4.714 125.131 120.400 0.027 0.000 2.154 131 K HA 0.501 4.822 4.320 0.002 0.000 0.264 131 K C -0.856 175.864 176.600 0.200 0.000 1.008 131 K CA -0.535 55.804 56.287 0.088 0.000 0.937 131 K CB 1.807 34.227 32.500 -0.132 0.000 1.002 131 K HN 0.276 nan 8.250 nan 0.000 0.469 132 V N 4.473 124.542 119.914 0.258 0.000 2.407 132 V HA 0.348 4.469 4.120 0.002 0.000 0.291 132 V C -0.319 175.943 176.094 0.281 0.000 1.018 132 V CA -0.678 61.744 62.300 0.204 0.000 0.842 132 V CB 1.087 32.925 31.823 0.025 0.000 0.996 132 V HN 0.594 nan 8.190 nan 0.000 0.426 133 I N 6.265 127.020 120.570 0.309 0.000 2.404 133 I HA 0.573 4.744 4.170 0.002 0.000 0.293 133 I C -0.327 175.935 176.117 0.242 0.000 0.992 133 I CA -0.659 60.806 61.300 0.274 0.000 1.149 133 I CB 1.890 40.073 38.000 0.306 0.000 1.315 133 I HN 0.630 nan 8.210 nan 0.000 0.446 134 I N 2.001 122.663 120.570 0.152 0.000 2.530 134 I HA 0.524 4.695 4.170 0.002 0.000 0.297 134 I C -0.352 175.815 176.117 0.083 0.000 1.011 134 I CA -0.596 60.791 61.300 0.144 0.000 1.107 134 I CB 1.530 39.582 38.000 0.086 0.000 1.285 134 I HN 0.367 nan 8.210 nan 0.000 0.436 135 D N 3.886 124.388 120.400 0.170 0.000 2.362 135 D HA 0.257 4.898 4.640 0.002 0.000 0.242 135 D C -1.558 174.876 176.300 0.222 0.000 1.132 135 D CA 0.562 54.676 54.000 0.190 0.000 0.907 135 D CB 1.115 42.072 40.800 0.261 0.000 1.195 135 D HN 0.486 nan 8.370 nan 0.000 0.429 136 F N 1.089 121.051 119.950 0.019 0.000 2.730 136 F HA 0.403 4.931 4.527 0.001 0.000 0.335 136 F C -0.731 175.131 175.800 0.104 0.000 1.212 136 F CA -0.856 57.169 58.000 0.042 0.000 1.016 136 F CB 1.490 40.490 39.000 0.000 0.000 1.290 136 F HN 0.273 nan 8.300 nan 0.000 0.495 137 A N 7.290 130.041 122.820 -0.115 0.000 3.056 137 A HA 0.530 4.851 4.320 0.002 0.000 0.328 137 A C -2.316 175.131 177.584 -0.229 0.000 1.233 137 A CA -1.175 50.797 52.037 -0.108 0.000 0.965 137 A CB -0.368 18.641 19.000 0.015 0.000 1.123 137 A HN 0.399 nan 8.150 nan 0.000 0.502 138 P HA -0.000 nan 4.420 nan 0.000 0.255 138 P C 0.661 177.927 177.300 -0.057 0.000 1.301 138 P CA 0.502 63.428 63.100 -0.290 0.000 0.817 138 P CB -0.023 31.558 31.700 -0.198 0.000 1.259 139 N N 0.634 119.276 118.700 -0.097 0.000 2.416 139 N HA -0.083 4.658 4.740 0.002 0.000 0.177 139 N C 0.702 176.250 175.510 0.064 0.000 1.036 139 N CA 0.351 53.431 53.050 0.049 0.000 0.901 139 N CB 0.075 38.645 38.487 0.137 0.000 0.976 139 N HN 0.239 nan 8.380 nan 0.000 0.444 140 H N -4.767 114.374 119.070 0.119 0.000 2.883 140 H HA 0.253 4.810 4.556 0.002 0.000 0.277 140 H C -0.294 175.176 175.328 0.235 0.000 1.451 140 H CA -0.046 56.074 56.048 0.119 0.000 1.157 140 H CB 0.579 30.363 29.762 0.036 0.000 1.851 140 H HN 0.030 nan 8.280 nan 0.000 0.566 141 T N -1.122 113.647 114.554 0.358 0.000 3.518 141 T HA 0.350 4.701 4.350 0.002 0.000 0.211 141 T C 0.629 175.492 174.700 0.272 0.000 0.940 141 T CA 0.840 63.108 62.100 0.280 0.000 1.307 141 T CB -0.405 68.585 68.868 0.202 0.000 1.392 141 T HN 0.884 nan 8.240 nan 0.000 0.382 142 S N 0.862 116.579 115.700 0.030 0.000 2.656 142 S HA 0.699 5.170 4.470 0.002 0.000 0.273 142 S C -3.374 170.991 174.600 -0.390 0.000 1.168 142 S CA -1.539 56.547 58.200 -0.190 0.000 0.817 142 S CB 1.122 64.241 63.200 -0.135 0.000 1.146 142 S HN 0.266 nan 8.310 nan 0.000 0.475 143 P HA 0.525 nan 4.420 nan 0.000 0.268 143 P C -0.837 176.381 177.300 -0.137 0.000 1.205 143 P CA 0.214 63.117 63.100 -0.328 0.000 0.771 143 P CB 0.494 32.019 31.700 -0.291 0.000 0.858 144 A N 1.607 124.430 122.820 0.006 0.000 2.597 144 A HA 0.617 4.938 4.320 0.002 0.000 0.292 144 A C -1.078 176.544 177.584 0.063 0.000 1.057 144 A CA -0.396 51.691 52.037 0.084 0.000 0.674 144 A CB 1.007 19.891 19.000 -0.194 0.000 1.278 144 A HN 0.325 nan 8.150 nan 0.000 0.416 145 S N -0.634 115.193 115.700 0.212 0.000 2.536 145 S HA 0.592 5.063 4.470 0.002 0.000 0.298 145 S C 1.229 175.982 174.600 0.254 0.000 1.083 145 S CA 0.254 58.546 58.200 0.154 0.000 0.995 145 S CB 1.722 64.934 63.200 0.020 0.000 1.058 145 S HN 1.710 nan 8.310 nan 0.000 0.488 146 S N 2.188 118.037 115.700 0.248 0.000 2.406 146 S HA -0.037 4.434 4.470 0.002 0.000 0.224 146 S C 0.667 175.293 174.600 0.043 0.000 1.030 146 S CA 1.287 59.562 58.200 0.125 0.000 0.958 146 S CB -0.491 62.700 63.200 -0.014 0.000 0.811 146 S HN 0.767 nan 8.310 nan 0.000 0.489 147 D N 0.976 121.398 120.400 0.036 0.000 2.340 147 D HA 0.137 4.778 4.640 0.002 0.000 0.220 147 D C 0.211 176.526 176.300 0.024 0.000 1.039 147 D CA 0.261 54.267 54.000 0.011 0.000 0.866 147 D CB 0.045 40.842 40.800 -0.005 0.000 0.913 147 D HN 0.272 nan 8.370 nan 0.000 0.523 148 Q N 0.426 120.258 119.800 0.053 0.000 3.122 148 Q HA 0.166 4.507 4.340 0.002 0.000 0.282 148 Q C -2.061 174.005 176.000 0.110 0.000 0.947 148 Q CA -1.555 54.290 55.803 0.071 0.000 0.812 148 Q CB 1.623 30.402 28.738 0.069 0.000 1.333 148 Q HN 0.114 nan 8.270 nan 0.000 0.430 149 P HA -0.146 nan 4.420 nan 0.000 0.223 149 P C 0.983 178.320 177.300 0.063 0.000 1.144 149 P CA 1.201 64.343 63.100 0.071 0.000 0.783 149 P CB 0.324 32.051 31.700 0.045 0.000 0.771 150 S N -0.843 114.900 115.700 0.071 0.000 2.387 150 S HA -0.097 4.374 4.470 0.002 0.000 0.226 150 S C 0.703 175.340 174.600 0.061 0.000 1.026 150 S CA 0.006 58.239 58.200 0.055 0.000 0.972 150 S CB -1.157 62.076 63.200 0.054 0.000 0.814 150 S HN 0.130 nan 8.310 nan 0.000 0.477 151 F N 3.740 123.670 119.950 -0.034 0.000 2.578 151 F HA 0.437 4.966 4.527 0.002 0.000 0.376 151 F C 1.011 176.762 175.800 -0.082 0.000 1.085 151 F CA -0.331 57.631 58.000 -0.063 0.000 1.260 151 F CB -0.313 38.647 39.000 -0.066 0.000 1.095 151 F HN 0.439 nan 8.300 nan 0.000 0.573 152 A N 4.626 126.803 122.820 -1.071 0.000 5.479 152 A HA -0.348 3.973 4.320 0.002 0.000 0.301 152 A C 0.949 178.323 177.584 -0.350 0.000 1.961 152 A CA 1.450 52.973 52.037 -0.855 0.000 0.716 152 A CB -1.534 16.804 19.000 -1.103 0.000 1.266 152 A HN 0.838 nan 8.150 nan 0.000 0.372 153 E N 0.732 120.783 120.200 -0.248 0.000 2.734 153 E HA 0.258 4.609 4.350 0.002 0.000 0.211 153 E C 0.361 176.925 176.600 -0.060 0.000 0.991 153 E CA 0.401 56.750 56.400 -0.085 0.000 1.065 153 E CB -0.011 29.686 29.700 -0.005 0.000 1.047 153 E HN 0.650 nan 8.360 nan 0.000 0.470 154 N N 0.396 119.048 118.700 -0.081 0.000 2.708 154 N HA -0.246 4.495 4.740 0.002 0.000 0.251 154 N C 0.762 176.206 175.510 -0.110 0.000 1.123 154 N CA 0.395 53.427 53.050 -0.030 0.000 0.739 154 N CB -0.680 37.819 38.487 0.021 0.000 1.113 154 N HN 0.542 nan 8.380 nan 0.000 0.561 155 G N 0.291 108.980 108.800 -0.184 0.000 2.187 155 G HA2 -0.375 3.586 3.960 0.002 0.000 0.261 155 G HA3 -0.375 3.586 3.960 0.002 0.000 0.261 155 G C 0.188 174.993 174.900 -0.158 0.000 1.000 155 G CA 0.796 45.730 45.100 -0.277 0.000 0.718 155 G HN 0.634 nan 8.290 nan 0.000 0.519 156 R N -0.863 119.597 120.500 -0.067 0.000 2.494 156 R HA 0.182 4.523 4.340 0.002 0.000 0.291 156 R C 0.327 176.559 176.300 -0.114 0.000 0.953 156 R CA 0.009 56.057 56.100 -0.088 0.000 1.098 156 R CB 0.244 30.450 30.300 -0.157 0.000 0.911 156 R HN 0.299 nan 8.270 nan 0.000 0.407 157 L N 5.090 126.249 121.223 -0.107 0.000 2.282 157 L HA 0.339 4.680 4.340 0.002 0.000 0.288 157 L C -1.370 175.302 176.870 -0.329 0.000 1.033 157 L CA -0.307 54.492 54.840 -0.070 0.000 0.807 157 L CB 0.844 42.925 42.059 0.037 0.000 1.209 157 L HN 0.389 nan 8.230 nan 0.000 0.423 158 Y N 2.467 122.817 120.300 0.083 0.000 2.446 158 Y HA 0.434 4.986 4.550 0.003 0.000 0.338 158 Y C -0.319 175.640 175.900 0.098 0.000 1.055 158 Y CA -0.644 57.498 58.100 0.071 0.000 1.101 158 Y CB 1.713 40.238 38.460 0.109 0.000 1.221 158 Y HN 0.552 nan 8.280 nan 0.000 0.460 159 D N 2.877 123.430 120.400 0.255 0.000 2.458 159 D HA 0.105 4.746 4.640 0.002 0.000 0.258 159 D C -0.262 176.220 176.300 0.303 0.000 1.134 159 D CA -0.151 54.052 54.000 0.338 0.000 0.915 159 D CB -0.283 40.623 40.800 0.177 0.000 1.028 159 D HN 0.699 nan 8.370 nan 0.000 0.508 160 N N 3.065 121.948 118.700 0.306 0.000 2.738 160 N HA -0.266 4.475 4.740 0.002 0.000 0.249 160 N C 0.851 176.443 175.510 0.137 0.000 1.047 160 N CA 0.776 53.938 53.050 0.186 0.000 0.707 160 N CB -0.933 37.639 38.487 0.142 0.000 0.937 160 N HN 0.759 nan 8.380 nan 0.000 0.545 161 G N -1.536 107.346 108.800 0.138 0.000 2.317 161 G HA2 -0.300 3.661 3.960 0.002 0.000 0.227 161 G HA3 -0.300 3.661 3.960 0.002 0.000 0.227 161 G C 0.061 175.052 174.900 0.152 0.000 1.042 161 G CA 0.419 45.554 45.100 0.058 0.000 0.623 161 G HN 0.716 nan 8.290 nan 0.000 0.509 162 T N 1.982 116.660 114.554 0.205 0.000 2.737 162 T HA 0.561 4.912 4.350 0.002 0.000 0.296 162 T C 0.264 175.132 174.700 0.280 0.000 0.922 162 T CA -0.319 61.905 62.100 0.208 0.000 1.079 162 T CB 2.323 71.264 68.868 0.122 0.000 0.892 162 T HN 0.910 nan 8.240 nan 0.000 0.514 163 L N 4.461 125.867 121.223 0.304 0.000 2.559 163 L HA 0.141 4.482 4.340 0.002 0.000 0.274 163 L C 0.679 177.514 176.870 -0.059 0.000 1.205 163 L CA 0.022 54.896 54.840 0.058 0.000 0.907 163 L CB -0.369 41.739 42.059 0.082 0.000 1.153 163 L HN 0.770 nan 8.230 nan 0.000 0.490 164 L N 4.518 125.634 121.223 -0.178 0.000 2.298 164 L HA 0.415 4.756 4.340 0.002 0.000 0.209 164 L C 1.036 177.821 176.870 -0.141 0.000 1.084 164 L CA 0.581 55.323 54.840 -0.164 0.000 0.816 164 L CB -0.186 41.718 42.059 -0.259 0.000 0.967 164 L HN 0.914 nan 8.230 nan 0.000 0.460 165 G N -1.379 107.339 108.800 -0.138 0.000 2.350 165 G HA2 0.348 4.309 3.960 0.002 0.000 0.304 165 G HA3 0.348 4.309 3.960 0.002 0.000 0.304 165 G C -1.220 173.739 174.900 0.098 0.000 1.421 165 G CA -0.345 44.734 45.100 -0.034 0.000 0.934 165 G HN 0.170 nan 8.290 nan 0.000 0.632 166 G N -1.852 107.063 108.800 0.191 0.000 2.816 166 G HA2 0.553 4.514 3.960 0.002 0.000 0.288 166 G HA3 0.553 4.514 3.960 0.002 0.000 0.288 166 G C 0.317 175.448 174.900 0.385 0.000 1.334 166 G CA -0.199 45.049 45.100 0.247 0.000 0.978 166 G HN 0.738 nan 8.290 nan 0.000 0.493 167 Y N 0.303 120.567 120.300 -0.060 0.000 2.242 167 Y HA 0.076 4.627 4.550 0.002 0.000 0.291 167 Y C 2.006 177.987 175.900 0.135 0.000 1.137 167 Y CA 1.293 59.369 58.100 -0.040 0.000 1.181 167 Y CB -0.132 38.176 38.460 -0.254 0.000 0.989 167 Y HN 0.307 nan 8.280 nan 0.000 0.527 168 T N 2.378 116.997 114.554 0.109 0.000 2.884 168 T HA 0.050 4.401 4.350 0.002 0.000 0.298 168 T C -0.106 174.586 174.700 -0.015 0.000 0.998 168 T CA -0.169 61.935 62.100 0.007 0.000 1.124 168 T CB 0.135 69.021 68.868 0.031 0.000 0.931 168 T HN 0.332 nan 8.240 nan 0.000 0.531 169 N N 2.075 120.726 118.700 -0.081 0.000 2.725 169 N HA -0.155 4.586 4.740 0.002 0.000 0.251 169 N C -0.463 175.014 175.510 -0.056 0.000 1.031 169 N CA 0.474 53.477 53.050 -0.079 0.000 0.720 169 N CB -0.913 37.548 38.487 -0.042 0.000 0.930 169 N HN 0.678 nan 8.380 nan 0.000 0.543 170 D N 0.032 120.384 120.400 -0.080 0.000 2.934 170 D HA 0.103 4.744 4.640 0.002 0.000 0.237 170 D C 1.258 177.527 176.300 -0.051 0.000 1.158 170 D CA 0.354 54.363 54.000 0.014 0.000 0.971 170 D CB -0.225 40.714 40.800 0.233 0.000 1.123 170 D HN 0.408 nan 8.370 nan 0.000 0.467 171 T N -2.371 112.144 114.554 -0.065 0.000 2.996 171 T HA -0.210 4.141 4.350 0.002 0.000 0.271 171 T C 1.608 176.276 174.700 -0.054 0.000 1.126 171 T CA 0.898 62.957 62.100 -0.068 0.000 1.103 171 T CB -0.078 68.756 68.868 -0.057 0.000 0.870 171 T HN 0.292 nan 8.240 nan 0.000 0.528 172 Q N 0.684 120.454 119.800 -0.050 0.000 2.245 172 Q HA 0.029 4.370 4.340 0.002 0.000 0.201 172 Q C 0.130 176.082 176.000 -0.080 0.000 0.955 172 Q CA 0.133 55.896 55.803 -0.067 0.000 0.870 172 Q CB 0.180 28.865 28.738 -0.089 0.000 0.945 172 Q HN 0.464 nan 8.270 nan 0.000 0.461 173 N N -0.270 118.398 118.700 -0.053 0.000 2.814 173 N HA -0.178 4.563 4.740 0.002 0.000 0.247 173 N C 0.035 175.438 175.510 -0.180 0.000 1.089 173 N CA 0.301 53.327 53.050 -0.040 0.000 0.682 173 N CB -1.209 37.254 38.487 -0.039 0.000 0.970 173 N HN 0.280 nan 8.380 nan 0.000 0.554 174 L N -1.522 119.509 121.223 -0.320 0.000 2.418 174 L HA 0.143 4.484 4.340 0.002 0.000 0.218 174 L C 0.504 176.836 176.870 -0.896 0.000 1.125 174 L CA 0.966 55.397 54.840 -0.682 0.000 0.835 174 L CB -0.035 41.444 42.059 -0.967 0.000 0.953 174 L HN 0.074 nan 8.230 nan 0.000 0.454 175 F N -2.785 117.064 119.950 -0.170 0.000 2.631 175 F HA 0.395 4.922 4.527 0.001 0.000 0.328 175 F C 0.204 175.740 175.800 -0.441 0.000 1.067 175 F CA -1.117 56.721 58.000 -0.270 0.000 0.969 175 F CB 0.671 39.660 39.000 -0.019 0.000 1.332 175 F HN -0.253 nan 8.300 nan 0.000 0.490 176 H N 0.058 119.092 119.070 -0.061 0.000 2.548 176 H HA 0.304 4.861 4.556 0.002 0.000 0.331 176 H C -0.505 174.625 175.328 -0.329 0.000 1.093 176 H CA -0.320 55.648 56.048 -0.133 0.000 1.367 176 H CB 0.659 30.409 29.762 -0.020 0.000 1.455 176 H HN 0.453 nan 8.280 nan 0.000 0.519 177 H N 2.970 122.144 119.070 0.172 0.000 2.500 177 H HA 0.142 4.698 4.556 0.002 0.000 0.243 177 H C -0.178 175.163 175.328 0.022 0.000 1.318 177 H CA -0.266 55.803 56.048 0.035 0.000 1.077 177 H CB 0.116 29.807 29.762 -0.118 0.000 1.748 177 H HN 0.654 nan 8.280 nan 0.000 0.556 178 N N 0.967 119.720 118.700 0.089 0.000 2.338 178 N HA 0.144 4.885 4.740 0.002 0.000 0.251 178 N C 1.190 176.698 175.510 -0.004 0.000 1.199 178 N CA 0.457 53.514 53.050 0.012 0.000 0.879 178 N CB 1.827 40.286 38.487 -0.046 0.000 1.159 178 N HN 0.602 nan 8.380 nan 0.000 0.514 179 G N 0.317 109.139 108.800 0.038 0.000 2.601 179 G HA2 -0.215 3.746 3.960 0.002 0.000 0.261 179 G HA3 -0.215 3.746 3.960 0.002 0.000 0.261 179 G C 0.101 174.975 174.900 -0.043 0.000 1.289 179 G CA -0.338 44.767 45.100 0.009 0.000 0.920 179 G HN 0.479 nan 8.290 nan 0.000 0.571 180 G N -1.398 107.351 108.800 -0.084 0.000 2.462 180 G HA2 0.703 4.664 3.960 0.002 0.000 0.319 180 G HA3 0.703 4.664 3.960 0.002 0.000 0.319 180 G C 0.147 174.921 174.900 -0.210 0.000 1.171 180 G CA 1.050 46.059 45.100 -0.152 0.000 0.920 180 G HN 1.352 nan 8.290 nan 0.000 0.499 181 T N -1.695 112.651 114.554 -0.346 0.000 2.918 181 T HA 0.389 4.740 4.350 0.002 0.000 0.283 181 T C 0.248 174.643 174.700 -0.507 0.000 1.001 181 T CA -0.168 61.662 62.100 -0.450 0.000 1.041 181 T CB 1.253 69.737 68.868 -0.639 0.000 1.028 181 T HN 0.534 nan 8.240 nan 0.000 0.511 182 D N 1.069 121.250 120.400 -0.364 0.000 2.535 182 D HA 0.145 4.786 4.640 0.002 0.000 0.229 182 D C 0.329 176.665 176.300 0.059 0.000 1.238 182 D CA -0.496 53.431 54.000 -0.120 0.000 0.824 182 D CB -0.946 39.827 40.800 -0.044 0.000 1.045 182 D HN 0.578 nan 8.370 nan 0.000 0.500 183 F N 0.530 120.410 119.950 -0.117 0.000 3.100 183 F HA -0.328 4.200 4.527 0.001 0.000 0.284 183 F C 1.937 177.688 175.800 -0.081 0.000 0.875 183 F CA 0.708 58.647 58.000 -0.101 0.000 1.039 183 F CB -2.540 36.395 39.000 -0.109 0.000 1.111 183 F HN 0.212 nan 8.300 nan 0.000 0.575 184 S N -1.436 114.272 115.700 0.014 0.000 2.371 184 S HA 0.039 4.510 4.470 0.002 0.000 0.224 184 S C 0.993 175.584 174.600 -0.015 0.000 1.029 184 S CA 1.123 59.324 58.200 0.002 0.000 0.978 184 S CB 0.035 63.216 63.200 -0.032 0.000 0.833 184 S HN 0.705 nan 8.310 nan 0.000 0.466 185 T N -3.003 111.514 114.554 -0.062 0.000 2.883 185 T HA 0.513 4.864 4.350 0.002 0.000 0.301 185 T C 0.693 175.314 174.700 -0.132 0.000 1.158 185 T CA -0.150 61.903 62.100 -0.080 0.000 1.007 185 T CB 1.337 70.136 68.868 -0.114 0.000 1.186 185 T HN -0.026 nan 8.240 nan 0.000 0.499 186 T N 0.953 115.439 114.554 -0.113 0.000 2.652 186 T HA -0.145 4.206 4.350 0.002 0.000 0.267 186 T C 1.714 176.210 174.700 -0.340 0.000 1.039 186 T CA 2.042 64.046 62.100 -0.160 0.000 1.153 186 T CB -0.553 68.329 68.868 0.024 0.000 0.863 186 T HN 0.901 nan 8.240 nan 0.000 0.428 187 E N 1.445 121.301 120.200 -0.575 0.000 2.118 187 E HA -0.247 4.104 4.350 0.002 0.000 0.195 187 E C 2.252 178.666 176.600 -0.311 0.000 0.992 187 E CA 1.251 57.166 56.400 -0.808 0.000 0.804 187 E CB -0.314 28.532 29.700 -1.422 0.000 0.741 187 E HN 0.453 nan 8.360 nan 0.000 0.458 188 N N 0.397 118.930 118.700 -0.278 0.000 2.069 188 N HA -0.133 4.608 4.740 0.002 0.000 0.191 188 N C 1.947 177.319 175.510 -0.229 0.000 1.031 188 N CA 1.698 54.623 53.050 -0.208 0.000 0.852 188 N CB -0.368 38.006 38.487 -0.189 0.000 1.018 188 N HN 0.309 nan 8.380 nan 0.000 0.423 189 G N 0.134 108.778 108.800 -0.260 0.000 2.744 189 G HA2 0.029 3.990 3.960 0.002 0.000 0.211 189 G HA3 0.029 3.990 3.960 0.002 0.000 0.211 189 G C 1.596 176.398 174.900 -0.164 0.000 1.143 189 G CA 0.015 44.969 45.100 -0.242 0.000 0.788 189 G HN 0.309 nan 8.290 nan 0.000 0.534 190 I N -1.312 119.104 120.570 -0.258 0.000 2.499 190 I HA 0.085 4.256 4.170 0.002 0.000 0.243 190 I C 1.419 177.276 176.117 -0.434 0.000 1.085 190 I CA 0.390 61.475 61.300 -0.358 0.000 1.422 190 I CB 0.048 37.739 38.000 -0.515 0.000 1.165 190 I HN 0.051 nan 8.210 nan 0.000 0.440 191 Y N 1.833 121.987 120.300 -0.243 0.000 2.462 191 Y HA 0.205 4.756 4.550 0.002 0.000 0.293 191 Y C 0.556 176.223 175.900 -0.387 0.000 1.195 191 Y CA 0.101 57.917 58.100 -0.474 0.000 1.276 191 Y CB -0.293 37.873 38.460 -0.489 0.000 1.082 191 Y HN -0.036 nan 8.280 nan 0.000 0.514 192 K N 0.294 120.603 120.400 -0.152 0.000 2.340 192 K HA 0.276 4.597 4.320 0.002 0.000 0.244 192 K C -0.838 175.678 176.600 -0.141 0.000 0.973 192 K CA -1.244 54.962 56.287 -0.135 0.000 0.828 192 K CB 1.246 33.640 32.500 -0.177 0.000 1.226 192 K HN -0.095 nan 8.250 nan 0.000 0.437 193 N N 2.143 120.764 118.700 -0.131 0.000 2.440 193 N HA -0.011 4.730 4.740 0.002 0.000 0.265 193 N C -0.235 175.117 175.510 -0.263 0.000 1.239 193 N CA 0.095 53.045 53.050 -0.167 0.000 0.909 193 N CB 0.257 38.646 38.487 -0.164 0.000 1.066 193 N HN 0.442 nan 8.380 nan 0.000 0.474 194 L N 5.444 126.492 121.223 -0.291 0.000 2.678 194 L HA -0.057 4.284 4.340 0.002 0.000 0.276 194 L C -0.097 176.628 176.870 -0.242 0.000 1.142 194 L CA 0.322 54.906 54.840 -0.426 0.000 0.961 194 L CB -0.764 41.025 42.059 -0.450 0.000 1.291 194 L HN 0.609 nan 8.230 nan 0.000 0.476 195 Y N 2.083 122.237 120.300 -0.243 0.000 2.896 195 Y HA -0.409 4.142 4.550 0.002 0.000 0.466 195 Y C 1.351 177.126 175.900 -0.208 0.000 1.197 195 Y CA 1.426 59.423 58.100 -0.172 0.000 2.513 195 Y CB -0.890 37.479 38.460 -0.152 0.000 1.232 195 Y HN 0.809 nan 8.280 nan 0.000 0.632 196 D N 1.143 121.545 120.400 0.003 0.000 2.342 196 D HA 0.167 4.808 4.640 0.002 0.000 0.221 196 D C -0.150 176.018 176.300 -0.220 0.000 1.101 196 D CA 0.213 54.143 54.000 -0.117 0.000 0.837 196 D CB -0.663 40.083 40.800 -0.089 0.000 0.938 196 D HN 0.379 nan 8.370 nan 0.000 0.508 197 L N 1.193 122.265 121.223 -0.251 0.000 2.360 197 L HA 0.325 4.666 4.340 0.002 0.000 0.276 197 L C 0.784 177.444 176.870 -0.350 0.000 1.121 197 L CA -0.850 53.781 54.840 -0.349 0.000 0.845 197 L CB 0.809 42.534 42.059 -0.557 0.000 1.143 197 L HN 0.009 nan 8.230 nan 0.000 0.452 198 A N 2.918 125.468 122.820 -0.449 0.000 2.507 198 A HA -0.048 4.273 4.320 0.002 0.000 0.281 198 A C 0.125 177.592 177.584 -0.195 0.000 1.154 198 A CA -0.156 51.486 52.037 -0.658 0.000 0.828 198 A CB -0.519 17.895 19.000 -0.975 0.000 1.069 198 A HN 0.749 nan 8.150 nan 0.000 0.522 199 D N 2.829 123.167 120.400 -0.102 0.000 2.358 199 D HA 0.294 4.935 4.640 0.002 0.000 0.258 199 D C 0.314 176.683 176.300 0.114 0.000 1.223 199 D CA 0.203 54.241 54.000 0.063 0.000 0.886 199 D CB 0.227 41.078 40.800 0.086 0.000 1.120 199 D HN 0.495 nan 8.370 nan 0.000 0.482 200 L N 3.347 124.577 121.223 0.012 0.000 2.473 200 L HA 0.110 4.451 4.340 0.002 0.000 0.268 200 L C 0.736 177.207 176.870 -0.664 0.000 1.215 200 L CA -0.198 54.482 54.840 -0.267 0.000 0.823 200 L CB 0.368 42.174 42.059 -0.421 0.000 1.099 200 L HN 0.471 nan 8.230 nan 0.000 0.483 201 N N -0.116 118.125 118.700 -0.766 0.000 2.707 201 N HA 0.148 4.889 4.740 0.002 0.000 0.235 201 N C 0.414 175.544 175.510 -0.633 0.000 1.028 201 N CA -0.325 52.254 53.050 -0.786 0.000 0.906 201 N CB 0.309 38.408 38.487 -0.647 0.000 1.131 201 N HN 0.429 nan 8.380 nan 0.000 0.509 202 H N 0.788 119.568 119.070 -0.483 0.000 2.543 202 H HA -0.036 4.521 4.556 0.002 0.000 0.286 202 H C 1.156 176.325 175.328 -0.265 0.000 1.037 202 H CA 0.883 56.556 56.048 -0.626 0.000 1.250 202 H CB 0.216 29.121 29.762 -1.429 0.000 1.373 202 H HN 0.507 nan 8.280 nan 0.000 0.580 203 N N 0.721 119.388 118.700 -0.056 0.000 2.521 203 N HA -0.114 4.627 4.740 0.002 0.000 0.188 203 N C -0.038 175.475 175.510 0.006 0.000 1.146 203 N CA -0.016 53.065 53.050 0.052 0.000 0.893 203 N CB 0.074 38.628 38.487 0.112 0.000 0.975 203 N HN 0.210 nan 8.380 nan 0.000 0.451 204 N N 0.169 118.823 118.700 -0.076 0.000 2.420 204 N HA 0.071 4.812 4.740 0.002 0.000 0.249 204 N C 0.160 175.657 175.510 -0.022 0.000 1.033 204 N CA 0.059 53.062 53.050 -0.078 0.000 0.944 204 N CB 1.135 39.517 38.487 -0.174 0.000 1.113 204 N HN -0.007 nan 8.380 nan 0.000 0.502 205 S N 2.594 118.305 115.700 0.018 0.000 2.381 205 S HA -0.192 4.279 4.470 0.002 0.000 0.230 205 S C 1.591 176.225 174.600 0.056 0.000 1.052 205 S CA 2.171 60.404 58.200 0.055 0.000 1.068 205 S CB -0.236 62.991 63.200 0.045 0.000 0.918 205 S HN 0.746 nan 8.310 nan 0.000 0.448 206 T N 2.006 116.568 114.554 0.012 0.000 2.607 206 T HA -0.119 4.232 4.350 0.002 0.000 0.267 206 T C 1.930 176.656 174.700 0.044 0.000 1.049 206 T CA 1.683 63.789 62.100 0.011 0.000 1.162 206 T CB -0.669 68.165 68.868 -0.057 0.000 0.863 206 T HN 0.232 nan 8.240 nan 0.000 0.424 207 V N 1.913 121.804 119.914 -0.037 0.000 2.392 207 V HA -0.198 3.923 4.120 0.002 0.000 0.249 207 V C 2.383 178.559 176.094 0.137 0.000 1.059 207 V CA 2.127 64.408 62.300 -0.033 0.000 1.051 207 V CB -0.734 30.942 31.823 -0.245 0.000 0.658 207 V HN 0.537 nan 8.190 nan 0.000 0.455 208 D N 0.171 120.667 120.400 0.161 0.000 2.084 208 D HA -0.144 4.497 4.640 0.002 0.000 0.196 208 D C 2.003 178.506 176.300 0.339 0.000 0.985 208 D CA 1.698 55.914 54.000 0.361 0.000 0.826 208 D CB -0.138 40.873 40.800 0.352 0.000 0.978 208 D HN 0.196 nan 8.370 nan 0.000 0.456 209 V N 0.061 120.109 119.914 0.222 0.000 2.358 209 V HA -0.209 3.912 4.120 0.002 0.000 0.246 209 V C 2.231 178.429 176.094 0.173 0.000 1.047 209 V CA 1.870 64.268 62.300 0.163 0.000 1.035 209 V CB -1.009 30.884 31.823 0.117 0.000 0.658 209 V HN 0.334 nan 8.190 nan 0.000 0.452 210 Y N 0.769 121.121 120.300 0.087 0.000 2.097 210 Y HA -0.267 4.283 4.550 0.001 0.000 0.282 210 Y C 2.216 178.193 175.900 0.128 0.000 1.152 210 Y CA 1.857 60.008 58.100 0.085 0.000 1.136 210 Y CB -0.411 38.082 38.460 0.055 0.000 0.975 210 Y HN 0.140 nan 8.280 nan 0.000 0.498 211 L N 0.121 121.407 121.223 0.106 0.000 1.989 211 L HA -0.265 4.076 4.340 0.002 0.000 0.211 211 L C 2.557 179.556 176.870 0.214 0.000 1.071 211 L CA 2.027 56.931 54.840 0.106 0.000 0.749 211 L CB -0.581 41.722 42.059 0.406 0.000 0.890 211 L HN 0.140 nan 8.230 nan 0.000 0.431 212 K N -0.256 120.266 120.400 0.203 0.000 2.063 212 K HA -0.200 4.121 4.320 0.002 0.000 0.208 212 K C 1.822 178.354 176.600 -0.113 0.000 1.048 212 K CA 1.655 57.929 56.287 -0.023 0.000 0.928 212 K CB -0.140 32.330 32.500 -0.051 0.000 0.713 212 K HN 0.197 nan 8.250 nan 0.000 0.442 213 D N -0.041 120.309 120.400 -0.083 0.000 2.144 213 D HA -0.114 4.527 4.640 0.002 0.000 0.199 213 D C 1.739 177.959 176.300 -0.132 0.000 0.984 213 D CA 1.273 55.198 54.000 -0.125 0.000 0.834 213 D CB -0.146 40.611 40.800 -0.072 0.000 0.955 213 D HN 0.241 nan 8.370 nan 0.000 0.465 214 A N 0.634 123.379 122.820 -0.126 0.000 1.877 214 A HA -0.169 4.152 4.320 0.002 0.000 0.216 214 A C 2.215 179.902 177.584 0.172 0.000 1.186 214 A CA 0.931 52.970 52.037 0.003 0.000 0.620 214 A CB -0.684 18.344 19.000 0.046 0.000 0.822 214 A HN 0.215 nan 8.150 nan 0.000 0.443 215 I N -0.438 120.217 120.570 0.143 0.000 2.361 215 I HA -0.181 3.990 4.170 0.002 0.000 0.251 215 I C 2.081 178.172 176.117 -0.043 0.000 1.133 215 I CA 1.594 62.894 61.300 -0.001 0.000 1.413 215 I CB -0.339 37.533 38.000 -0.214 0.000 1.073 215 I HN 0.211 nan 8.210 nan 0.000 0.424 216 K N -0.179 120.129 120.400 -0.154 0.000 2.032 216 K HA -0.225 4.096 4.320 0.002 0.000 0.209 216 K C 2.165 178.702 176.600 -0.106 0.000 1.048 216 K CA 2.186 58.329 56.287 -0.241 0.000 0.927 216 K CB -0.409 31.832 32.500 -0.432 0.000 0.712 216 K HN 0.458 nan 8.250 nan 0.000 0.441 217 M N -0.784 118.728 119.600 -0.147 0.000 2.065 217 M HA -0.218 4.263 4.480 0.002 0.000 0.259 217 M C 1.532 177.717 176.300 -0.191 0.000 1.071 217 M CA 1.980 57.141 55.300 -0.230 0.000 1.109 217 M CB -0.450 31.895 32.600 -0.425 0.000 1.313 217 M HN 0.206 nan 8.290 nan 0.000 0.408 218 W N 0.793 122.088 121.300 -0.008 0.000 2.342 218 W HA -0.122 4.539 4.660 0.002 0.000 0.297 218 W C 2.188 178.750 176.519 0.072 0.000 1.213 218 W CA 0.857 58.208 57.345 0.011 0.000 1.251 218 W CB -0.602 28.832 29.460 -0.042 0.000 1.136 218 W HN 0.268 nan 8.180 nan 0.000 0.526 219 L N -0.061 121.299 121.223 0.229 0.000 2.083 219 L HA -0.207 4.134 4.340 0.002 0.000 0.209 219 L C 1.746 178.739 176.870 0.205 0.000 1.083 219 L CA 1.177 56.140 54.840 0.204 0.000 0.752 219 L CB -0.580 41.595 42.059 0.193 0.000 0.899 219 L HN -0.066 nan 8.230 nan 0.000 0.433 220 D N -0.329 120.173 120.400 0.171 0.000 2.317 220 D HA -0.056 4.585 4.640 0.002 0.000 0.211 220 D C 2.187 178.562 176.300 0.125 0.000 0.966 220 D CA 0.741 54.827 54.000 0.143 0.000 0.876 220 D CB 0.161 41.023 40.800 0.104 0.000 0.927 220 D HN 0.293 nan 8.370 nan 0.000 0.519 221 L N -0.448 120.873 121.223 0.162 0.000 2.552 221 L HA 0.087 4.428 4.340 0.002 0.000 0.227 221 L C 1.453 178.457 176.870 0.224 0.000 1.146 221 L CA 0.647 55.622 54.840 0.225 0.000 0.858 221 L CB 0.052 42.340 42.059 0.382 0.000 0.969 221 L HN 0.161 nan 8.230 nan 0.000 0.451 222 G N 0.571 109.499 108.800 0.214 0.000 2.148 222 G HA2 -0.233 3.728 3.960 0.002 0.000 0.203 222 G HA3 -0.233 3.728 3.960 0.002 0.000 0.203 222 G C 0.425 175.465 174.900 0.234 0.000 0.993 222 G CA 0.023 45.243 45.100 0.199 0.000 0.661 222 G HN 0.379 nan 8.290 nan 0.000 0.518 223 I N -1.806 118.925 120.570 0.268 0.000 2.813 223 I HA 0.379 4.550 4.170 0.002 0.000 0.287 223 I C 0.425 176.698 176.117 0.261 0.000 1.196 223 I CA 0.306 61.766 61.300 0.266 0.000 1.421 223 I CB 0.590 38.773 38.000 0.305 0.000 1.365 223 I HN -0.042 nan 8.210 nan 0.000 0.591 224 D N 4.017 124.600 120.400 0.304 0.000 2.398 224 D HA 0.287 4.928 4.640 0.002 0.000 0.210 224 D C 0.562 177.146 176.300 0.472 0.000 1.094 224 D CA 0.220 54.440 54.000 0.368 0.000 0.839 224 D CB 1.225 42.245 40.800 0.366 0.000 0.963 224 D HN 0.855 nan 8.370 nan 0.000 0.506 225 G N 0.449 109.430 108.800 0.303 0.000 2.601 225 G HA2 0.554 4.515 3.960 0.002 0.000 0.291 225 G HA3 0.554 4.515 3.960 0.002 0.000 0.291 225 G C -1.721 173.188 174.900 0.016 0.000 1.456 225 G CA -0.649 44.530 45.100 0.132 0.000 0.804 225 G HN 0.009 nan 8.290 nan 0.000 0.499 226 I N 1.147 121.629 120.570 -0.146 0.000 2.500 226 I HA 0.395 4.566 4.170 0.002 0.000 0.286 226 I C -0.333 175.408 176.117 -0.626 0.000 1.063 226 I CA -0.863 60.286 61.300 -0.252 0.000 1.062 226 I CB 2.144 40.050 38.000 -0.158 0.000 1.223 226 I HN 0.280 nan 8.210 nan 0.000 0.435 227 R N 8.135 128.199 120.500 -0.726 0.000 2.204 227 R HA 0.427 4.768 4.340 0.002 0.000 0.341 227 R C -0.970 175.040 176.300 -0.484 0.000 1.035 227 R CA -0.558 54.814 56.100 -1.213 0.000 0.887 227 R CB 0.890 30.345 30.300 -1.409 0.000 1.114 227 R HN 0.575 nan 8.270 nan 0.000 0.473 228 M N 3.791 123.156 119.600 -0.393 0.000 2.105 228 M HA 0.229 4.710 4.480 0.002 0.000 0.350 228 M C 0.365 176.667 176.300 0.003 0.000 1.308 228 M CA -0.370 54.876 55.300 -0.090 0.000 1.108 228 M CB 1.055 33.620 32.600 -0.059 0.000 1.622 228 M HN 0.493 nan 8.290 nan 0.000 0.468 229 A N 3.592 126.468 122.820 0.093 0.000 2.332 229 A HA 0.604 4.925 4.320 0.002 0.000 0.258 229 A C 1.018 178.662 177.584 0.100 0.000 1.087 229 A CA 0.198 52.314 52.037 0.132 0.000 0.802 229 A CB 0.119 19.225 19.000 0.176 0.000 1.042 229 A HN 1.246 nan 8.150 nan 0.000 0.489 230 A N 0.164 123.052 122.820 0.113 0.000 2.550 230 A HA -0.113 4.208 4.320 0.002 0.000 0.298 230 A C 1.174 178.807 177.584 0.081 0.000 1.485 230 A CA 1.216 53.351 52.037 0.163 0.000 0.780 230 A CB -2.334 16.782 19.000 0.194 0.000 1.045 230 A HN 2.291 nan 8.150 nan 0.000 0.423 231 V N -2.540 117.371 119.914 -0.006 0.000 3.241 231 V HA -0.030 4.091 4.120 0.002 0.000 0.269 231 V C 1.614 177.495 176.094 -0.354 0.000 1.151 231 V CA 2.309 64.563 62.300 -0.077 0.000 1.158 231 V CB -0.407 31.417 31.823 0.001 0.000 0.764 231 V HN 0.594 nan 8.190 nan 0.000 0.508 232 K N -0.760 119.316 120.400 -0.541 0.000 2.379 232 K HA 0.109 4.430 4.320 0.002 0.000 0.194 232 K C 1.144 177.301 176.600 -0.738 0.000 1.031 232 K CA 0.383 56.093 56.287 -0.960 0.000 1.037 232 K CB 0.028 31.646 32.500 -1.471 0.000 0.824 232 K HN 0.699 nan 8.250 nan 0.000 0.516 233 H N -0.834 118.090 119.070 -0.242 0.000 2.505 233 H HA 0.242 4.799 4.556 0.002 0.000 0.286 233 H C -0.079 175.145 175.328 -0.173 0.000 1.072 233 H CA 0.043 55.966 56.048 -0.208 0.000 1.141 233 H CB 0.381 30.050 29.762 -0.155 0.000 1.550 233 H HN 0.049 nan 8.280 nan 0.000 0.547 234 M N 1.273 120.833 119.600 -0.067 0.000 2.530 234 M HA 0.334 4.815 4.480 0.002 0.000 0.307 234 M C -2.629 173.631 176.300 -0.066 0.000 1.161 234 M CA -2.000 53.276 55.300 -0.040 0.000 0.903 234 M CB 2.799 35.432 32.600 0.054 0.000 1.711 234 M HN -0.200 nan 8.290 nan 0.000 0.451 235 P HA -0.007 nan 4.420 nan 0.000 0.263 235 P C 0.002 177.420 177.300 0.197 0.000 1.195 235 P CA 0.087 63.130 63.100 -0.094 0.000 0.762 235 P CB 0.068 31.783 31.700 0.025 0.000 0.799 236 F N 2.582 122.645 119.950 0.189 0.000 2.161 236 F HA -0.105 4.423 4.527 0.002 0.000 0.300 236 F C 2.485 178.418 175.800 0.221 0.000 1.089 236 F CA 1.597 59.801 58.000 0.341 0.000 1.282 236 F CB -2.135 37.134 39.000 0.448 0.000 1.010 236 F HN 0.358 nan 8.300 nan 0.000 0.485 237 G N -1.118 107.844 108.800 0.270 0.000 2.421 237 G HA2 -0.324 3.637 3.960 0.002 0.000 0.216 237 G HA3 -0.324 3.637 3.960 0.002 0.000 0.216 237 G C 1.595 176.632 174.900 0.229 0.000 1.171 237 G CA 0.669 45.892 45.100 0.205 0.000 0.775 237 G HN 0.498 nan 8.290 nan 0.000 0.543 238 W N 1.468 122.822 121.300 0.091 0.000 2.363 238 W HA -0.070 4.590 4.660 0.001 0.000 0.296 238 W C 2.811 179.388 176.519 0.095 0.000 1.212 238 W CA 1.661 59.053 57.345 0.079 0.000 1.260 238 W CB -0.050 29.423 29.460 0.020 0.000 1.131 238 W HN 0.295 nan 8.180 nan 0.000 0.530 239 Q N 0.346 120.219 119.800 0.122 0.000 2.124 239 Q HA -0.272 4.069 4.340 0.002 0.000 0.202 239 Q C 2.124 178.054 176.000 -0.117 0.000 0.977 239 Q CA 1.934 57.683 55.803 -0.091 0.000 0.850 239 Q CB -0.467 28.415 28.738 0.240 0.000 0.901 239 Q HN 0.373 nan 8.270 nan 0.000 0.429 240 K N 1.120 121.496 120.400 -0.040 0.000 2.002 240 K HA -0.181 4.140 4.320 0.002 0.000 0.209 240 K C 2.310 178.851 176.600 -0.097 0.000 1.048 240 K CA 1.763 58.012 56.287 -0.062 0.000 0.930 240 K CB -0.249 32.243 32.500 -0.013 0.000 0.714 240 K HN 0.166 nan 8.250 nan 0.000 0.438 241 S N -0.205 115.420 115.700 -0.124 0.000 2.420 241 S HA -0.210 4.261 4.470 0.002 0.000 0.237 241 S C 1.898 176.344 174.600 -0.257 0.000 1.023 241 S CA 1.133 59.240 58.200 -0.155 0.000 0.991 241 S CB -0.658 62.470 63.200 -0.120 0.000 0.792 241 S HN 0.479 nan 8.310 nan 0.000 0.488 242 F N 1.716 121.310 119.950 -0.593 0.000 2.187 242 F HA 0.182 4.710 4.527 0.001 0.000 0.295 242 F C 2.207 177.818 175.800 -0.315 0.000 1.091 242 F CA 1.142 58.786 58.000 -0.593 0.000 1.308 242 F CB -0.291 38.120 39.000 -0.981 0.000 1.030 242 F HN 0.109 nan 8.300 nan 0.000 0.487 243 M N 0.656 120.260 119.600 0.007 0.000 2.159 243 M HA -0.095 4.386 4.480 0.002 0.000 0.263 243 M C 2.501 178.734 176.300 -0.113 0.000 1.063 243 M CA 1.480 56.766 55.300 -0.024 0.000 1.110 243 M CB -2.050 30.532 32.600 -0.029 0.000 1.374 243 M HN 0.319 nan 8.290 nan 0.000 0.411 244 A N 0.121 122.870 122.820 -0.120 0.000 1.902 244 A HA -0.012 4.309 4.320 0.002 0.000 0.217 244 A C 2.455 179.968 177.584 -0.117 0.000 1.181 244 A CA 2.165 54.145 52.037 -0.095 0.000 0.623 244 A CB -0.965 17.991 19.000 -0.073 0.000 0.818 244 A HN 0.461 nan 8.150 nan 0.000 0.443 245 A N -0.565 122.133 122.820 -0.203 0.000 1.883 245 A HA -0.033 4.288 4.320 0.002 0.000 0.217 245 A C 2.273 179.739 177.584 -0.196 0.000 1.186 245 A CA 1.940 53.841 52.037 -0.227 0.000 0.624 245 A CB -1.043 17.736 19.000 -0.368 0.000 0.822 245 A HN 0.382 nan 8.150 nan 0.000 0.444 246 V N 0.982 120.724 119.914 -0.287 0.000 2.237 246 V HA -0.277 3.844 4.120 0.002 0.000 0.245 246 V C 2.321 178.401 176.094 -0.023 0.000 1.046 246 V CA 2.276 64.476 62.300 -0.167 0.000 1.007 246 V CB -1.053 30.650 31.823 -0.199 0.000 0.638 246 V HN 0.579 nan 8.190 nan 0.000 0.445 247 N N 0.951 119.629 118.700 -0.037 0.000 2.149 247 N HA -0.139 4.603 4.740 0.002 0.000 0.188 247 N C 1.403 176.926 175.510 0.021 0.000 1.019 247 N CA 1.276 54.327 53.050 0.002 0.000 0.857 247 N CB -0.628 37.852 38.487 -0.011 0.000 0.997 247 N HN 0.460 nan 8.380 nan 0.000 0.426 248 N N -0.514 118.196 118.700 0.017 0.000 2.449 248 N HA -0.049 4.692 4.740 0.002 0.000 0.191 248 N C 0.601 176.164 175.510 0.088 0.000 1.161 248 N CA 0.188 53.259 53.050 0.035 0.000 0.863 248 N CB 0.224 38.722 38.487 0.019 0.000 0.980 248 N HN 0.416 nan 8.380 nan 0.000 0.458 249 Y N 0.542 120.811 120.300 -0.052 0.000 3.224 249 Y HA 0.313 4.864 4.550 0.001 0.000 0.184 249 Y C -0.408 175.477 175.900 -0.026 0.000 0.891 249 Y CA 0.359 58.431 58.100 -0.046 0.000 1.736 249 Y CB 0.720 39.136 38.460 -0.072 0.000 1.411 249 Y HN -0.316 nan 8.280 nan 0.000 0.402 250 K N 2.577 122.998 120.400 0.035 0.000 2.920 250 K HA 0.304 4.625 4.320 0.002 0.000 0.175 250 K C -2.918 173.712 176.600 0.050 0.000 1.099 250 K CA -1.932 54.328 56.287 -0.044 0.000 0.939 250 K CB 1.353 33.823 32.500 -0.050 0.000 1.148 250 K HN 0.100 nan 8.250 nan 0.000 0.613 251 P HA -0.098 nan 4.420 nan 0.000 0.260 251 P C -0.213 177.146 177.300 0.099 0.000 1.172 251 P CA 0.113 63.251 63.100 0.063 0.000 0.760 251 P CB 0.606 32.347 31.700 0.069 0.000 0.773 252 V N 1.424 121.405 119.914 0.111 0.000 2.888 252 V HA 0.477 4.598 4.120 0.002 0.000 0.309 252 V C -0.495 175.700 176.094 0.169 0.000 1.114 252 V CA -1.494 60.908 62.300 0.170 0.000 0.940 252 V CB 1.683 33.599 31.823 0.156 0.000 1.021 252 V HN 0.311 nan 8.190 nan 0.000 0.426 253 F N 3.430 123.431 119.950 0.086 0.000 2.580 253 F HA 0.463 4.991 4.527 0.001 0.000 0.398 253 F C 0.461 176.227 175.800 -0.057 0.000 1.023 253 F CA 1.221 59.209 58.000 -0.021 0.000 1.188 253 F CB 0.020 38.872 39.000 -0.247 0.000 1.005 253 F HN 0.821 nan 8.300 nan 0.000 0.546 254 T N 7.976 122.156 114.554 -0.624 0.000 2.876 254 T HA 0.662 5.013 4.350 0.002 0.000 0.289 254 T C -1.203 173.177 174.700 -0.532 0.000 1.014 254 T CA -0.342 61.452 62.100 -0.510 0.000 0.986 254 T CB 1.312 70.043 68.868 -0.228 0.000 1.021 254 T HN 0.422 nan 8.240 nan 0.000 0.458 255 F N -0.839 118.778 119.950 -0.555 0.000 2.608 255 F HA 0.838 5.366 4.527 0.001 0.000 0.309 255 F C -0.144 175.572 175.800 -0.139 0.000 1.103 255 F CA -1.432 56.357 58.000 -0.351 0.000 0.954 255 F CB 0.848 39.604 39.000 -0.407 0.000 1.267 255 F HN 0.738 nan 8.300 nan 0.000 0.444 256 G N 0.324 109.188 108.800 0.106 0.000 2.461 256 G HA2 0.655 4.616 3.960 0.002 0.000 0.329 256 G HA3 0.655 4.616 3.960 0.002 0.000 0.329 256 G C -1.466 173.583 174.900 0.247 0.000 1.170 256 G CA -0.832 44.347 45.100 0.131 0.000 0.935 256 G HN 1.121 nan 8.290 nan 0.000 0.492 257 A N 0.877 123.827 122.820 0.216 0.000 2.341 257 A HA 0.501 4.822 4.320 0.002 0.000 0.326 257 A C -1.063 176.677 177.584 0.260 0.000 1.402 257 A CA -0.573 51.666 52.037 0.336 0.000 0.957 257 A CB 0.093 19.288 19.000 0.326 0.000 1.151 257 A HN 0.625 nan 8.150 nan 0.000 0.533 258 W N 5.409 126.741 121.300 0.053 0.000 2.363 258 W HA 0.390 5.051 4.660 0.002 0.000 0.314 258 W C -1.300 174.965 176.519 -0.425 0.000 0.994 258 W CA -2.283 54.989 57.345 -0.122 0.000 1.449 258 W CB 0.614 30.009 29.460 -0.109 0.000 1.248 258 W HN 0.574 nan 8.180 nan 0.000 0.409 259 F N 6.073 125.769 119.950 -0.423 0.000 2.608 259 F HA 0.208 4.735 4.527 0.002 0.000 0.380 259 F C -0.616 175.020 175.800 -0.272 0.000 1.083 259 F CA 0.800 58.278 58.000 -0.870 0.000 1.266 259 F CB 0.579 39.297 39.000 -0.470 0.000 1.076 259 F HN 0.167 nan 8.300 nan 0.000 0.574 260 L N 6.811 127.355 121.223 -1.132 0.000 2.404 260 L HA 0.415 4.756 4.340 0.002 0.000 0.272 260 L C 0.530 176.950 176.870 -0.750 0.000 0.980 260 L CA -0.779 53.765 54.840 -0.493 0.000 0.836 260 L CB 1.345 43.347 42.059 -0.095 0.000 1.238 260 L HN 0.836 nan 8.230 nan 0.000 0.408 261 G N 2.249 110.865 108.800 -0.307 0.000 2.653 261 G HA2 0.352 4.313 3.960 0.002 0.000 0.265 261 G HA3 0.352 4.313 3.960 0.002 0.000 0.265 261 G C 0.023 174.928 174.900 0.008 0.000 1.237 261 G CA -0.473 44.623 45.100 -0.008 0.000 0.946 261 G HN 0.281 nan 8.290 nan 0.000 0.522 262 V N 1.766 121.724 119.914 0.074 0.000 2.694 262 V HA -0.019 4.102 4.120 0.002 0.000 0.306 262 V C 0.876 176.997 176.094 0.044 0.000 1.054 262 V CA 0.365 62.697 62.300 0.054 0.000 1.161 262 V CB 0.738 32.599 31.823 0.062 0.000 0.916 262 V HN 0.920 nan 8.190 nan 0.000 0.490 263 N N 1.768 120.488 118.700 0.032 0.000 2.708 263 N HA -0.202 4.539 4.740 0.002 0.000 0.251 263 N C 0.249 175.779 175.510 0.033 0.000 1.123 263 N CA 1.487 54.555 53.050 0.030 0.000 0.739 263 N CB -0.624 37.879 38.487 0.028 0.000 1.113 263 N HN 0.985 nan 8.380 nan 0.000 0.561 264 E N 0.582 120.801 120.200 0.032 0.000 2.174 264 E HA 0.439 4.790 4.350 0.002 0.000 0.282 264 E C -0.896 175.713 176.600 0.014 0.000 0.992 264 E CA -0.550 55.867 56.400 0.028 0.000 0.803 264 E CB 1.026 30.748 29.700 0.036 0.000 1.090 264 E HN 0.007 nan 8.360 nan 0.000 0.396 265 V N 4.170 124.084 119.914 0.001 0.000 2.398 265 V HA 0.229 4.350 4.120 0.002 0.000 0.282 265 V C -0.363 175.656 176.094 -0.124 0.000 1.014 265 V CA -0.767 61.519 62.300 -0.024 0.000 0.838 265 V CB 1.344 33.198 31.823 0.053 0.000 1.018 265 V HN 0.636 nan 8.190 nan 0.000 0.432 266 S N 6.233 121.745 115.700 -0.314 0.000 2.480 266 S HA 0.549 5.020 4.470 0.002 0.000 0.286 266 S C -1.380 172.809 174.600 -0.685 0.000 1.180 266 S CA -1.455 56.524 58.200 -0.368 0.000 1.075 266 S CB 1.852 64.877 63.200 -0.292 0.000 0.996 266 S HN 0.566 nan 8.310 nan 0.000 0.487 267 P HA 0.042 nan 4.420 nan 0.000 0.222 267 P C 1.046 178.247 177.300 -0.164 0.000 1.157 267 P CA 0.558 63.557 63.100 -0.169 0.000 0.816 267 P CB 0.204 31.901 31.700 -0.006 0.000 0.813 268 E N 0.071 120.197 120.200 -0.123 0.000 2.077 268 E HA -0.222 4.129 4.350 0.002 0.000 0.193 268 E C 2.050 178.437 176.600 -0.354 0.000 0.989 268 E CA 1.119 57.503 56.400 -0.026 0.000 0.800 268 E CB -0.315 29.527 29.700 0.237 0.000 0.746 268 E HN 0.117 nan 8.360 nan 0.000 0.452 269 N N -0.584 117.632 118.700 -0.808 0.000 2.058 269 N HA -0.196 4.545 4.740 0.002 0.000 0.191 269 N C 1.663 176.864 175.510 -0.516 0.000 1.037 269 N CA 1.804 54.065 53.050 -1.316 0.000 0.848 269 N CB -0.102 37.587 38.487 -1.330 0.000 1.021 269 N HN 0.264 nan 8.380 nan 0.000 0.422 270 H N -0.412 118.437 119.070 -0.368 0.000 2.352 270 H HA -0.088 4.469 4.556 0.002 0.000 0.299 270 H C 2.027 177.260 175.328 -0.158 0.000 1.097 270 H CA 1.201 57.037 56.048 -0.352 0.000 1.311 270 H CB 0.063 29.573 29.762 -0.421 0.000 1.377 270 H HN 0.195 nan 8.280 nan 0.000 0.504 271 K N 0.428 120.828 120.400 -0.001 0.000 2.026 271 K HA -0.168 4.153 4.320 0.002 0.000 0.208 271 K C 2.032 178.654 176.600 0.037 0.000 1.048 271 K CA 1.252 57.557 56.287 0.031 0.000 0.929 271 K CB -0.208 32.330 32.500 0.063 0.000 0.713 271 K HN 0.154 nan 8.250 nan 0.000 0.439 272 F N 1.307 121.164 119.950 -0.155 0.000 2.065 272 F HA -0.272 4.256 4.527 0.001 0.000 0.298 272 F C 2.056 177.838 175.800 -0.030 0.000 1.112 272 F CA 1.904 59.817 58.000 -0.146 0.000 1.212 272 F CB -0.356 38.512 39.000 -0.220 0.000 0.975 272 F HN 0.057 nan 8.300 nan 0.000 0.476 273 A N -0.103 122.819 122.820 0.169 0.000 2.070 273 A HA -0.184 4.137 4.320 0.002 0.000 0.220 273 A C 1.809 179.435 177.584 0.070 0.000 1.159 273 A CA 1.828 53.964 52.037 0.164 0.000 0.656 273 A CB -0.722 18.508 19.000 0.382 0.000 0.800 273 A HN 0.537 nan 8.150 nan 0.000 0.453 274 N N -0.397 118.331 118.700 0.045 0.000 2.415 274 N HA 0.010 4.751 4.740 0.002 0.000 0.176 274 N C 0.662 176.154 175.510 -0.031 0.000 1.042 274 N CA 1.175 54.239 53.050 0.023 0.000 0.902 274 N CB 0.155 38.658 38.487 0.026 0.000 0.986 274 N HN 0.748 nan 8.380 nan 0.000 0.447 275 E N -1.365 118.786 120.200 -0.083 0.000 2.702 275 E HA 0.105 4.456 4.350 0.002 0.000 0.225 275 E C 0.959 177.457 176.600 -0.171 0.000 0.942 275 E CA 0.009 56.356 56.400 -0.089 0.000 1.210 275 E CB 0.375 30.060 29.700 -0.025 0.000 1.143 275 E HN 0.130 nan 8.360 nan 0.000 0.544 276 S N 0.361 115.846 115.700 -0.358 0.000 2.406 276 S HA 0.093 4.564 4.470 0.002 0.000 0.228 276 S C 1.835 176.251 174.600 -0.306 0.000 1.020 276 S CA 0.991 58.871 58.200 -0.534 0.000 0.965 276 S CB 0.042 62.391 63.200 -1.419 0.000 0.798 276 S HN 0.412 nan 8.310 nan 0.000 0.488 277 G N 1.083 109.742 108.800 -0.235 0.000 2.184 277 G HA2 -0.152 3.809 3.960 0.002 0.000 0.206 277 G HA3 -0.152 3.809 3.960 0.002 0.000 0.206 277 G C -0.131 174.693 174.900 -0.127 0.000 0.995 277 G CA 0.043 45.053 45.100 -0.150 0.000 0.651 277 G HN 0.989 nan 8.290 nan 0.000 0.511 278 M N -0.337 119.164 119.600 -0.164 0.000 2.593 278 M HA 0.841 5.322 4.480 0.002 0.000 0.290 278 M C 0.294 176.561 176.300 -0.055 0.000 1.244 278 M CA -0.379 54.853 55.300 -0.113 0.000 0.857 278 M CB 1.767 34.316 32.600 -0.086 0.000 1.738 278 M HN 0.260 nan 8.290 nan 0.000 0.461 279 S N 1.301 116.985 115.700 -0.026 0.000 2.481 279 S HA 0.849 5.320 4.470 0.002 0.000 0.267 279 S C -0.306 174.402 174.600 0.180 0.000 1.174 279 S CA -0.829 57.412 58.200 0.069 0.000 1.027 279 S CB 0.626 63.868 63.200 0.071 0.000 1.117 279 S HN 0.717 nan 8.310 nan 0.000 0.495 280 L N -0.504 120.831 121.223 0.187 0.000 2.568 280 L HA 0.441 4.782 4.340 0.002 0.000 0.257 280 L C -1.513 175.515 176.870 0.263 0.000 1.024 280 L CA -0.835 54.178 54.840 0.289 0.000 0.854 280 L CB 1.832 44.083 42.059 0.320 0.000 1.460 280 L HN 0.472 nan 8.230 nan 0.000 0.409 281 L N 1.628 123.100 121.223 0.416 0.000 2.315 281 L HA 0.137 4.478 4.340 0.002 0.000 0.283 281 L C 0.152 177.349 176.870 0.545 0.000 1.089 281 L CA -0.141 54.970 54.840 0.451 0.000 0.833 281 L CB 0.373 42.725 42.059 0.488 0.000 1.170 281 L HN 0.445 nan 8.230 nan 0.000 0.442 282 D N 3.355 123.946 120.400 0.318 0.000 2.598 282 D HA -0.059 4.582 4.640 0.002 0.000 0.231 282 D C 1.040 177.410 176.300 0.117 0.000 1.127 282 D CA 0.413 54.506 54.000 0.155 0.000 1.126 282 D CB 0.073 40.828 40.800 -0.074 0.000 1.124 282 D HN 0.333 nan 8.370 nan 0.000 0.485 283 F N 0.799 120.862 119.950 0.188 0.000 2.171 283 F HA -0.127 4.401 4.527 0.002 0.000 0.300 283 F C 2.578 178.363 175.800 -0.023 0.000 1.090 283 F CA 0.831 58.871 58.000 0.067 0.000 1.293 283 F CB -0.017 39.025 39.000 0.069 0.000 1.013 283 F HN 0.226 nan 8.300 nan 0.000 0.486 284 R N -0.208 120.437 120.500 0.241 0.000 2.091 284 R HA -0.254 4.087 4.340 0.002 0.000 0.238 284 R C 2.277 178.660 176.300 0.138 0.000 1.136 284 R CA 1.953 58.158 56.100 0.175 0.000 0.959 284 R CB -0.720 29.728 30.300 0.247 0.000 0.856 284 R HN 0.311 nan 8.270 nan 0.000 0.437 285 F N 0.864 120.805 119.950 -0.015 0.000 2.084 285 F HA -0.060 4.468 4.527 0.002 0.000 0.296 285 F C 2.134 177.856 175.800 -0.130 0.000 1.111 285 F CA 1.510 59.482 58.000 -0.046 0.000 1.224 285 F CB -0.694 38.260 39.000 -0.078 0.000 0.991 285 F HN 0.123 nan 8.300 nan 0.000 0.471 286 A N 0.384 123.195 122.820 -0.014 0.000 1.865 286 A HA -0.228 4.093 4.320 0.002 0.000 0.217 286 A C 2.168 179.688 177.584 -0.107 0.000 1.191 286 A CA 1.825 53.701 52.037 -0.268 0.000 0.623 286 A CB -0.949 17.391 19.000 -1.099 0.000 0.826 286 A HN 0.544 nan 8.150 nan 0.000 0.444 287 Q N -0.448 119.310 119.800 -0.069 0.000 2.061 287 Q HA -0.236 4.105 4.340 0.002 0.000 0.204 287 Q C 2.107 178.105 176.000 -0.004 0.000 0.984 287 Q CA 2.047 57.851 55.803 0.002 0.000 0.846 287 Q CB -0.411 28.339 28.738 0.021 0.000 0.902 287 Q HN 0.707 nan 8.270 nan 0.000 0.421 288 K N 0.673 121.048 120.400 -0.042 0.000 2.057 288 K HA -0.091 4.230 4.320 0.002 0.000 0.207 288 K C 2.048 178.600 176.600 -0.079 0.000 1.049 288 K CA 0.921 57.164 56.287 -0.072 0.000 0.931 288 K CB -0.378 32.057 32.500 -0.108 0.000 0.714 288 K HN -0.026 nan 8.250 nan 0.000 0.440 289 V N 1.131 120.981 119.914 -0.105 0.000 2.287 289 V HA -0.290 3.831 4.120 0.002 0.000 0.248 289 V C 2.400 178.651 176.094 0.261 0.000 1.053 289 V CA 2.257 64.578 62.300 0.035 0.000 1.027 289 V CB -0.411 31.408 31.823 -0.006 0.000 0.646 289 V HN 0.355 nan 8.190 nan 0.000 0.447 290 R N -0.817 119.813 120.500 0.216 0.000 2.081 290 R HA -0.169 4.172 4.340 0.002 0.000 0.235 290 R C 2.423 178.787 176.300 0.105 0.000 1.131 290 R CA 1.546 57.796 56.100 0.250 0.000 0.960 290 R CB -0.343 30.060 30.300 0.172 0.000 0.856 290 R HN 0.581 nan 8.270 nan 0.000 0.436 291 Q N -0.060 119.765 119.800 0.041 0.000 2.135 291 Q HA -0.159 4.182 4.340 0.002 0.000 0.204 291 Q C 2.089 178.057 176.000 -0.055 0.000 0.981 291 Q CA 1.625 57.421 55.803 -0.012 0.000 0.856 291 Q CB 0.102 28.826 28.738 -0.024 0.000 0.902 291 Q HN 0.215 nan 8.270 nan 0.000 0.425 292 V N -0.790 119.068 119.914 -0.092 0.000 2.446 292 V HA -0.140 3.981 4.120 0.002 0.000 0.244 292 V C 1.430 177.301 176.094 -0.373 0.000 1.039 292 V CA 1.513 63.635 62.300 -0.296 0.000 1.045 292 V CB -0.255 31.265 31.823 -0.505 0.000 0.681 292 V HN 0.254 nan 8.190 nan 0.000 0.459 293 F N -0.641 119.327 119.950 0.031 0.000 2.622 293 F HA 0.251 4.779 4.527 0.002 0.000 0.288 293 F C 2.373 178.247 175.800 0.123 0.000 1.120 293 F CA 0.580 58.660 58.000 0.134 0.000 1.423 293 F CB 0.033 39.185 39.000 0.254 0.000 1.127 293 F HN -0.104 nan 8.300 nan 0.000 0.588 294 R N 0.281 120.865 120.500 0.139 0.000 2.121 294 R HA 0.021 4.362 4.340 0.002 0.000 0.206 294 R C 1.059 177.270 176.300 -0.149 0.000 1.094 294 R CA 1.175 57.125 56.100 -0.251 0.000 1.055 294 R CB 0.072 29.918 30.300 -0.757 0.000 0.964 294 R HN 0.026 nan 8.270 nan 0.000 0.473 295 D N -0.353 119.997 120.400 -0.085 0.000 2.366 295 D HA -0.013 4.628 4.640 0.002 0.000 0.205 295 D C 0.071 176.341 176.300 -0.050 0.000 1.022 295 D CA 0.370 54.331 54.000 -0.065 0.000 0.868 295 D CB 0.024 40.796 40.800 -0.046 0.000 0.953 295 D HN 0.237 nan 8.370 nan 0.000 0.514 296 N N -0.045 118.623 118.700 -0.054 0.000 2.782 296 N HA -0.189 4.552 4.740 0.002 0.000 0.251 296 N C 0.574 176.053 175.510 -0.051 0.000 1.101 296 N CA 1.307 54.320 53.050 -0.061 0.000 0.764 296 N CB -1.616 36.843 38.487 -0.046 0.000 1.122 296 N HN 0.234 nan 8.380 nan 0.000 0.561 297 T N -4.307 110.221 114.554 -0.044 0.000 3.148 297 T HA 0.155 4.507 4.350 0.002 0.000 0.253 297 T C 0.313 174.993 174.700 -0.034 0.000 1.134 297 T CA 0.644 62.726 62.100 -0.031 0.000 1.051 297 T CB 0.330 69.187 68.868 -0.018 0.000 0.959 297 T HN 0.322 nan 8.240 nan 0.000 0.525 298 D N 0.800 121.166 120.400 -0.056 0.000 2.623 298 D HA 0.346 4.987 4.640 0.002 0.000 0.241 298 D C -1.382 174.859 176.300 -0.099 0.000 1.241 298 D CA -0.641 53.325 54.000 -0.057 0.000 0.788 298 D CB 1.871 42.638 40.800 -0.054 0.000 1.413 298 D HN 0.282 nan 8.370 nan 0.000 0.429 299 N N 0.385 119.043 118.700 -0.069 0.000 2.671 299 N HA 0.234 4.975 4.740 0.002 0.000 0.303 299 N C 0.958 176.354 175.510 -0.190 0.000 1.277 299 N CA -0.483 52.497 53.050 -0.118 0.000 0.933 299 N CB 0.181 38.658 38.487 -0.016 0.000 1.190 299 N HN 0.169 nan 8.380 nan 0.000 0.600 300 M N -0.606 118.810 119.600 -0.306 0.000 2.192 300 M HA -0.101 4.380 4.480 0.002 0.000 0.259 300 M C 1.182 177.297 176.300 -0.310 0.000 1.071 300 M CA 1.483 56.565 55.300 -0.364 0.000 1.082 300 M CB -1.456 30.893 32.600 -0.417 0.000 1.373 300 M HN 0.571 nan 8.290 nan 0.000 0.408 301 Y N -0.795 119.463 120.300 -0.071 0.000 2.181 301 Y HA -0.081 4.470 4.550 0.002 0.000 0.288 301 Y C 2.525 178.392 175.900 -0.055 0.000 1.146 301 Y CA 1.485 59.553 58.100 -0.052 0.000 1.164 301 Y CB -1.517 36.914 38.460 -0.048 0.000 0.982 301 Y HN 0.318 nan 8.280 nan 0.000 0.515 302 G N -0.335 108.503 108.800 0.064 0.000 2.422 302 G HA2 -0.234 3.727 3.960 0.002 0.000 0.218 302 G HA3 -0.234 3.727 3.960 0.002 0.000 0.218 302 G C 1.673 176.553 174.900 -0.035 0.000 1.146 302 G CA 0.901 46.007 45.100 0.010 0.000 0.769 302 G HN 0.298 nan 8.290 nan 0.000 0.547 303 L N 0.747 121.911 121.223 -0.098 0.000 1.989 303 L HA 0.022 4.363 4.340 0.002 0.000 0.211 303 L C 2.738 179.575 176.870 -0.056 0.000 1.071 303 L CA 2.412 57.170 54.840 -0.137 0.000 0.749 303 L CB -0.569 41.340 42.059 -0.250 0.000 0.890 303 L HN 0.246 nan 8.230 nan 0.000 0.431 304 K N -1.064 119.319 120.400 -0.028 0.000 2.063 304 K HA -0.210 4.111 4.320 0.002 0.000 0.208 304 K C 1.986 178.609 176.600 0.039 0.000 1.048 304 K CA 1.406 57.707 56.287 0.024 0.000 0.928 304 K CB -0.243 32.285 32.500 0.048 0.000 0.713 304 K HN 0.435 nan 8.250 nan 0.000 0.442 305 A N 1.676 124.520 122.820 0.041 0.000 1.883 305 A HA -0.233 4.088 4.320 0.002 0.000 0.217 305 A C 2.154 179.761 177.584 0.038 0.000 1.186 305 A CA 1.836 53.897 52.037 0.040 0.000 0.624 305 A CB -0.676 18.347 19.000 0.038 0.000 0.822 305 A HN 0.490 nan 8.150 nan 0.000 0.444 306 M N -0.037 119.580 119.600 0.028 0.000 2.108 306 M HA -0.135 4.346 4.480 0.002 0.000 0.261 306 M C 2.005 178.352 176.300 0.078 0.000 1.066 306 M CA 1.819 57.147 55.300 0.046 0.000 1.107 306 M CB -0.918 31.686 32.600 0.007 0.000 1.356 306 M HN 0.446 nan 8.290 nan 0.000 0.406 307 L N 0.103 121.366 121.223 0.067 0.000 1.970 307 L HA -0.258 4.083 4.340 0.002 0.000 0.212 307 L C 2.424 179.344 176.870 0.083 0.000 1.071 307 L CA 1.853 56.748 54.840 0.090 0.000 0.751 307 L CB -1.000 41.099 42.059 0.067 0.000 0.889 307 L HN 0.357 nan 8.230 nan 0.000 0.432 308 E N 0.132 120.370 120.200 0.063 0.000 2.038 308 E HA -0.183 4.168 4.350 0.002 0.000 0.195 308 E C 2.187 178.809 176.600 0.036 0.000 1.000 308 E CA 1.167 57.597 56.400 0.051 0.000 0.803 308 E CB -0.446 29.280 29.700 0.044 0.000 0.750 308 E HN 0.579 nan 8.360 nan 0.000 0.448 309 G N 1.698 110.516 108.800 0.030 0.000 2.514 309 G HA2 -0.382 3.579 3.960 0.002 0.000 0.217 309 G HA3 -0.382 3.579 3.960 0.002 0.000 0.217 309 G C 1.791 176.677 174.900 -0.023 0.000 1.198 309 G CA 1.758 46.857 45.100 -0.002 0.000 0.780 309 G HN 0.410 nan 8.290 nan 0.000 0.565 310 S N 1.400 117.137 115.700 0.063 0.000 2.370 310 S HA 0.025 4.496 4.470 0.002 0.000 0.226 310 S C 2.576 177.279 174.600 0.172 0.000 1.033 310 S CA 1.789 60.093 58.200 0.174 0.000 1.011 310 S CB -0.622 62.770 63.200 0.320 0.000 0.852 310 S HN 0.777 nan 8.310 nan 0.000 0.457 311 A N 1.193 124.079 122.820 0.110 0.000 2.070 311 A HA 0.431 4.752 4.320 0.002 0.000 0.220 311 A C 2.295 179.900 177.584 0.034 0.000 1.159 311 A CA 1.523 53.611 52.037 0.085 0.000 0.656 311 A CB -0.958 18.085 19.000 0.071 0.000 0.800 311 A HN 0.958 nan 8.150 nan 0.000 0.453 312 A N -1.062 121.749 122.820 -0.016 0.000 2.140 312 A HA 0.128 4.449 4.320 0.002 0.000 0.209 312 A C 1.461 178.957 177.584 -0.146 0.000 1.181 312 A CA 0.871 52.872 52.037 -0.060 0.000 0.824 312 A CB 0.106 19.076 19.000 -0.051 0.000 0.879 312 A HN 0.357 nan 8.150 nan 0.000 0.480 313 D N -1.281 118.950 120.400 -0.282 0.000 2.305 313 D HA 0.052 4.693 4.640 0.002 0.000 0.206 313 D C -0.606 175.318 176.300 -0.627 0.000 0.974 313 D CA 0.753 54.382 54.000 -0.618 0.000 0.871 313 D CB 0.053 40.087 40.800 -1.276 0.000 0.947 313 D HN 0.457 nan 8.370 nan 0.000 0.516 314 Y N 0.371 120.563 120.300 -0.180 0.000 2.342 314 Y HA 0.427 4.979 4.550 0.002 0.000 0.338 314 Y C 1.202 177.067 175.900 -0.058 0.000 0.965 314 Y CA -0.862 57.191 58.100 -0.078 0.000 1.159 314 Y CB 1.742 40.189 38.460 -0.022 0.000 1.157 314 Y HN -0.184 nan 8.280 nan 0.000 0.486 315 A N 2.762 125.636 122.820 0.090 0.000 1.978 315 A HA -0.177 4.144 4.320 0.002 0.000 0.220 315 A C 0.832 178.416 177.584 -0.000 0.000 1.170 315 A CA 1.484 53.530 52.037 0.016 0.000 0.636 315 A CB -0.183 18.822 19.000 0.008 0.000 0.810 315 A HN 0.767 nan 8.150 nan 0.000 0.448 316 Q N -1.479 118.370 119.800 0.081 0.000 3.075 316 Q HA 0.375 4.716 4.340 0.002 0.000 0.318 316 Q C 0.474 176.538 176.000 0.106 0.000 0.907 316 Q CA -0.099 55.753 55.803 0.081 0.000 0.882 316 Q CB 0.985 29.798 28.738 0.125 0.000 1.386 316 Q HN 0.135 nan 8.270 nan 0.000 0.408 317 V N 0.962 120.936 119.914 0.100 0.000 2.380 317 V HA -0.296 3.825 4.120 0.002 0.000 0.251 317 V C 0.993 177.089 176.094 0.002 0.000 1.063 317 V CA 2.416 64.741 62.300 0.041 0.000 1.055 317 V CB 0.121 31.997 31.823 0.088 0.000 0.657 317 V HN 0.706 nan 8.190 nan 0.000 0.455 318 D N -0.436 120.009 120.400 0.075 0.000 2.403 318 D HA -0.121 4.520 4.640 0.002 0.000 0.227 318 D C 0.989 177.356 176.300 0.111 0.000 0.995 318 D CA 0.936 54.987 54.000 0.085 0.000 0.928 318 D CB -0.076 40.833 40.800 0.182 0.000 0.887 318 D HN 0.526 nan 8.370 nan 0.000 0.529 319 D N 0.247 120.733 120.400 0.144 0.000 2.369 319 D HA 0.004 4.645 4.640 0.002 0.000 0.211 319 D C 0.340 176.735 176.300 0.159 0.000 1.077 319 D CA 0.189 54.345 54.000 0.260 0.000 0.842 319 D CB 0.385 41.394 40.800 0.348 0.000 0.947 319 D HN 0.022 nan 8.370 nan 0.000 0.509 320 Q N 0.692 120.472 119.800 -0.034 0.000 2.288 320 Q HA 0.220 4.561 4.340 0.002 0.000 0.258 320 Q C -0.125 175.789 176.000 -0.142 0.000 0.957 320 Q CA -0.349 55.371 55.803 -0.138 0.000 0.919 320 Q CB 1.656 30.185 28.738 -0.349 0.000 1.185 320 Q HN -0.093 nan 8.270 nan 0.000 0.408 321 V N 3.576 123.416 119.914 -0.124 0.000 2.387 321 V HA 0.157 4.278 4.120 0.002 0.000 0.260 321 V C 0.820 176.906 176.094 -0.014 0.000 1.054 321 V CA -0.473 61.720 62.300 -0.179 0.000 0.967 321 V CB -0.168 31.377 31.823 -0.464 0.000 1.036 321 V HN 0.829 nan 8.190 nan 0.000 0.481 322 T N 2.907 117.362 114.554 -0.166 0.000 2.849 322 T HA 0.804 5.155 4.350 0.002 0.000 0.284 322 T C -0.529 174.252 174.700 0.135 0.000 1.004 322 T CA -0.386 61.528 62.100 -0.311 0.000 1.021 322 T CB 1.399 69.713 68.868 -0.922 0.000 1.013 322 T HN 0.832 nan 8.240 nan 0.000 0.527 323 F N -1.386 118.486 119.950 -0.130 0.000 2.944 323 F HA 0.476 5.004 4.527 0.002 0.000 0.324 323 F C -0.200 175.663 175.800 0.104 0.000 1.151 323 F CA -1.361 56.636 58.000 -0.005 0.000 0.883 323 F CB 0.522 39.516 39.000 -0.009 0.000 1.341 323 F HN 0.600 nan 8.300 nan 0.000 0.456 324 I N -1.392 119.288 120.570 0.184 0.000 4.227 324 I HA 0.479 4.650 4.170 0.002 0.000 0.334 324 I C -0.953 175.340 176.117 0.293 0.000 1.341 324 I CA 0.129 61.503 61.300 0.123 0.000 1.123 324 I CB 0.756 38.702 38.000 -0.091 0.000 1.097 324 I HN 0.688 nan 8.210 nan 0.000 0.399 325 D N 0.911 121.555 120.400 0.405 0.000 2.807 325 D HA 0.287 4.928 4.640 0.002 0.000 0.279 325 D C -1.339 175.054 176.300 0.154 0.000 1.247 325 D CA -0.546 53.659 54.000 0.342 0.000 0.749 325 D CB 0.591 41.587 40.800 0.327 0.000 1.264 325 D HN 0.315 nan 8.370 nan 0.000 0.421 326 N N -2.478 116.133 118.700 -0.149 0.000 3.378 326 N HA 0.172 4.913 4.740 0.002 0.000 0.294 326 N C 0.794 175.783 175.510 -0.868 0.000 1.544 326 N CA -0.381 52.214 53.050 -0.758 0.000 0.872 326 N CB -0.107 38.077 38.487 -0.505 0.000 1.670 326 N HN 0.564 nan 8.380 nan 0.000 0.551 327 H N -1.500 116.999 119.070 -0.951 0.000 2.518 327 H HA 0.065 4.622 4.556 0.002 0.000 0.289 327 H C -0.685 174.589 175.328 -0.090 0.000 1.051 327 H CA 1.189 57.004 56.048 -0.387 0.000 1.280 327 H CB -0.272 29.393 29.762 -0.160 0.000 1.380 327 H HN 0.556 nan 8.280 nan 0.000 0.566 328 D N 0.934 121.053 120.400 -0.469 0.000 2.349 328 D HA 0.133 4.774 4.640 0.002 0.000 0.214 328 D C 1.084 177.390 176.300 0.009 0.000 1.063 328 D CA 0.214 54.104 54.000 -0.184 0.000 0.847 328 D CB 0.512 41.234 40.800 -0.130 0.000 0.933 328 D HN 0.594 nan 8.370 nan 0.000 0.513 329 M N -1.627 117.985 119.600 0.021 0.000 2.578 329 M HA 0.419 4.900 4.480 0.002 0.000 0.276 329 M C -1.114 175.243 176.300 0.096 0.000 1.245 329 M CA -0.880 54.483 55.300 0.106 0.000 0.871 329 M CB 2.350 35.075 32.600 0.208 0.000 1.722 329 M HN -0.399 nan 8.290 nan 0.000 0.473 330 E N 2.350 122.608 120.200 0.097 0.000 2.529 330 E HA 0.053 4.404 4.350 0.002 0.000 0.259 330 E C -0.506 176.168 176.600 0.122 0.000 0.966 330 E CA 0.257 56.708 56.400 0.086 0.000 0.937 330 E CB 0.532 30.264 29.700 0.052 0.000 0.923 330 E HN 0.377 nan 8.360 nan 0.000 0.468 331 R N 2.402 122.985 120.500 0.137 0.000 2.583 331 R HA -0.109 4.232 4.340 0.002 0.000 0.274 331 R C 1.032 177.460 176.300 0.214 0.000 0.998 331 R CA 0.055 56.276 56.100 0.202 0.000 1.081 331 R CB 0.130 30.531 30.300 0.168 0.000 0.940 331 R HN 0.620 nan 8.270 nan 0.000 0.413 332 F N 2.229 122.270 119.950 0.151 0.000 2.120 332 F HA -0.226 4.302 4.527 0.002 0.000 0.300 332 F C 1.224 177.125 175.800 0.169 0.000 1.095 332 F CA 1.656 59.746 58.000 0.149 0.000 1.249 332 F CB -0.252 38.842 39.000 0.156 0.000 0.995 332 F HN 0.548 nan 8.300 nan 0.000 0.480 333 H N 0.457 119.714 119.070 0.311 0.000 2.690 333 H HA 0.535 5.092 4.556 0.002 0.000 0.314 333 H C -0.570 174.809 175.328 0.085 0.000 1.069 333 H CA -0.545 55.633 56.048 0.217 0.000 1.436 333 H CB 0.714 30.661 29.762 0.308 0.000 1.462 333 H HN 0.214 nan 8.280 nan 0.000 0.511 334 A N 3.385 125.840 122.820 -0.608 0.000 2.305 334 A HA 0.335 4.656 4.320 0.002 0.000 0.322 334 A C 1.368 178.544 177.584 -0.680 0.000 1.187 334 A CA -0.086 51.675 52.037 -0.462 0.000 0.825 334 A CB 0.396 19.229 19.000 -0.278 0.000 1.164 334 A HN 0.976 nan 8.150 nan 0.000 0.498 335 S N 2.252 117.766 115.700 -0.309 0.000 2.392 335 S HA -0.266 4.205 4.470 0.002 0.000 0.232 335 S C 1.237 175.772 174.600 -0.110 0.000 1.041 335 S CA 1.831 59.947 58.200 -0.140 0.000 1.026 335 S CB -0.575 62.596 63.200 -0.047 0.000 0.845 335 S HN 0.888 nan 8.310 nan 0.000 0.465 336 N N 2.616 121.236 118.700 -0.133 0.000 2.392 336 N HA 0.240 4.981 4.740 0.002 0.000 0.177 336 N C 0.675 176.145 175.510 -0.068 0.000 1.066 336 N CA 0.592 53.598 53.050 -0.073 0.000 0.895 336 N CB -0.462 37.989 38.487 -0.060 0.000 0.988 336 N HN 0.576 nan 8.380 nan 0.000 0.457 337 A N 1.355 124.088 122.820 -0.145 0.000 2.386 337 A HA 0.096 4.417 4.320 0.002 0.000 0.246 337 A C 0.354 178.000 177.584 0.103 0.000 1.089 337 A CA -0.334 51.666 52.037 -0.061 0.000 0.790 337 A CB 0.027 18.945 19.000 -0.136 0.000 1.042 337 A HN 0.293 nan 8.150 nan 0.000 0.497 338 N N 0.128 118.899 118.700 0.119 0.000 2.411 338 N HA 0.095 4.836 4.740 0.002 0.000 0.259 338 N C 1.069 176.697 175.510 0.196 0.000 1.103 338 N CA -0.055 53.072 53.050 0.129 0.000 0.954 338 N CB 0.635 39.176 38.487 0.091 0.000 1.085 338 N HN 0.606 nan 8.380 nan 0.000 0.485 339 R N 2.031 122.601 120.500 0.116 0.000 2.133 339 R HA -0.196 4.145 4.340 0.002 0.000 0.247 339 R C 1.600 177.988 176.300 0.147 0.000 1.151 339 R CA 1.507 57.615 56.100 0.015 0.000 0.971 339 R CB -0.082 30.003 30.300 -0.359 0.000 0.866 339 R HN 0.460 nan 8.270 nan 0.000 0.447 340 R N 1.421 121.993 120.500 0.120 0.000 2.185 340 R HA -0.154 4.187 4.340 0.002 0.000 0.247 340 R C 1.375 177.791 176.300 0.194 0.000 1.159 340 R CA 1.714 57.895 56.100 0.135 0.000 0.988 340 R CB -0.163 30.201 30.300 0.108 0.000 0.871 340 R HN 0.188 nan 8.270 nan 0.000 0.458 341 K N -0.389 120.173 120.400 0.271 0.000 2.057 341 K HA -0.123 4.198 4.320 0.002 0.000 0.207 341 K C 2.032 178.919 176.600 0.479 0.000 1.049 341 K CA 1.616 58.144 56.287 0.403 0.000 0.931 341 K CB -0.273 32.468 32.500 0.402 0.000 0.714 341 K HN 0.239 nan 8.250 nan 0.000 0.440 342 L N 1.464 122.986 121.223 0.499 0.000 2.044 342 L HA -0.165 4.176 4.340 0.002 0.000 0.205 342 L C 1.916 178.752 176.870 -0.057 0.000 1.075 342 L CA 1.523 56.489 54.840 0.209 0.000 0.747 342 L CB -0.168 42.123 42.059 0.386 0.000 0.903 342 L HN 0.137 nan 8.230 nan 0.000 0.435 343 E N -0.434 119.811 120.200 0.075 0.000 2.130 343 E HA -0.320 4.031 4.350 0.002 0.000 0.196 343 E C 2.176 178.739 176.600 -0.062 0.000 0.998 343 E CA 1.612 58.024 56.400 0.019 0.000 0.806 343 E CB -0.318 29.437 29.700 0.091 0.000 0.738 343 E HN 0.667 nan 8.360 nan 0.000 0.459 344 Q N 0.316 120.078 119.800 -0.062 0.000 2.046 344 Q HA -0.105 4.236 4.340 0.002 0.000 0.200 344 Q C 2.334 178.055 176.000 -0.466 0.000 0.975 344 Q CA 1.238 56.944 55.803 -0.161 0.000 0.836 344 Q CB -0.169 28.560 28.738 -0.014 0.000 0.896 344 Q HN 0.314 nan 8.270 nan 0.000 0.428 345 A N 0.254 122.690 122.820 -0.639 0.000 2.024 345 A HA -0.178 4.143 4.320 0.002 0.000 0.220 345 A C 1.874 179.234 177.584 -0.373 0.000 1.164 345 A CA 1.020 52.599 52.037 -0.763 0.000 0.643 345 A CB -0.356 18.079 19.000 -0.942 0.000 0.806 345 A HN 0.258 nan 8.150 nan 0.000 0.451 346 L N -0.674 120.372 121.223 -0.295 0.000 2.007 346 L HA 0.022 4.363 4.340 0.002 0.000 0.205 346 L C 2.977 179.790 176.870 -0.096 0.000 1.073 346 L CA 1.913 56.653 54.840 -0.167 0.000 0.744 346 L CB -1.181 40.792 42.059 -0.144 0.000 0.898 346 L HN 0.354 nan 8.230 nan 0.000 0.435 347 A N -0.979 121.790 122.820 -0.084 0.000 1.917 347 A HA -0.324 3.997 4.320 0.002 0.000 0.219 347 A C 2.313 179.914 177.584 0.028 0.000 1.182 347 A CA 2.156 54.168 52.037 -0.041 0.000 0.633 347 A CB -1.168 17.810 19.000 -0.038 0.000 0.819 347 A HN 0.437 nan 8.150 nan 0.000 0.448 348 F N 1.251 121.139 119.950 -0.104 0.000 2.069 348 F HA -0.170 4.358 4.527 0.002 0.000 0.298 348 F C 2.504 178.351 175.800 0.078 0.000 1.113 348 F CA 2.429 60.437 58.000 0.014 0.000 1.214 348 F CB -0.888 38.016 39.000 -0.160 0.000 0.978 348 F HN 0.206 nan 8.300 nan 0.000 0.474 349 T N 1.637 116.180 114.554 -0.019 0.000 2.708 349 T HA -0.170 4.181 4.350 0.002 0.000 0.266 349 T C 2.083 176.692 174.700 -0.151 0.000 1.037 349 T CA 1.813 63.876 62.100 -0.062 0.000 1.146 349 T CB -0.601 68.291 68.868 0.041 0.000 0.865 349 T HN 0.257 nan 8.240 nan 0.000 0.435 350 L N 1.408 122.566 121.223 -0.107 0.000 2.450 350 L HA -0.033 4.308 4.340 0.002 0.000 0.224 350 L C 2.335 179.134 176.870 -0.119 0.000 1.149 350 L CA 1.191 55.963 54.840 -0.113 0.000 0.816 350 L CB -0.765 41.236 42.059 -0.096 0.000 0.932 350 L HN 0.441 nan 8.230 nan 0.000 0.449 351 T N -6.400 108.090 114.554 -0.107 0.000 3.040 351 T HA 0.224 4.575 4.350 0.002 0.000 0.266 351 T C 0.716 175.393 174.700 -0.039 0.000 1.005 351 T CA -0.317 61.748 62.100 -0.057 0.000 0.906 351 T CB 0.412 69.279 68.868 -0.002 0.000 1.082 351 T HN -0.010 nan 8.240 nan 0.000 0.531 352 S N 2.228 117.811 115.700 -0.195 0.000 2.730 352 S HA 0.613 5.084 4.470 0.002 0.000 0.284 352 S C 0.326 174.813 174.600 -0.188 0.000 1.153 352 S CA -1.042 57.009 58.200 -0.248 0.000 0.995 352 S CB 0.875 63.789 63.200 -0.476 0.000 1.058 352 S HN 0.602 nan 8.310 nan 0.000 0.552 353 R N 0.614 121.029 120.500 -0.140 0.000 2.641 353 R HA 0.595 4.936 4.340 0.002 0.000 0.269 353 R C 0.459 176.641 176.300 -0.198 0.000 1.074 353 R CA 0.476 56.505 56.100 -0.120 0.000 1.133 353 R CB -1.016 29.261 30.300 -0.038 0.000 1.029 353 R HN 0.938 nan 8.270 nan 0.000 0.488 354 G N 0.193 108.892 108.800 -0.169 0.000 2.447 354 G HA2 -0.131 3.830 3.960 0.002 0.000 0.220 354 G HA3 -0.131 3.830 3.960 0.002 0.000 0.220 354 G C -1.499 173.274 174.900 -0.212 0.000 1.261 354 G CA -0.377 44.607 45.100 -0.193 0.000 1.000 354 G HN 0.658 nan 8.290 nan 0.000 0.515 355 V N 1.921 121.707 119.914 -0.214 0.000 2.304 355 V HA 0.497 4.618 4.120 0.002 0.000 0.278 355 V C -2.060 173.927 176.094 -0.178 0.000 1.018 355 V CA -1.267 60.911 62.300 -0.202 0.000 0.814 355 V CB 1.402 33.091 31.823 -0.223 0.000 1.021 355 V HN 0.628 nan 8.190 nan 0.000 0.440 356 P HA 0.272 nan 4.420 nan 0.000 0.266 356 P C -0.421 176.873 177.300 -0.010 0.000 1.215 356 P CA 0.375 63.408 63.100 -0.111 0.000 0.763 356 P CB 0.821 32.451 31.700 -0.116 0.000 0.806 357 A N 4.790 127.649 122.820 0.065 0.000 2.318 357 A HA 0.641 4.962 4.320 0.002 0.000 0.317 357 A C -0.433 177.251 177.584 0.167 0.000 1.159 357 A CA -0.757 51.378 52.037 0.164 0.000 0.799 357 A CB 0.363 19.517 19.000 0.258 0.000 1.194 357 A HN 0.465 nan 8.150 nan 0.000 0.479 358 I N 2.681 123.329 120.570 0.131 0.000 2.339 358 I HA 0.177 4.348 4.170 0.002 0.000 0.290 358 I C -0.742 175.360 176.117 -0.025 0.000 0.994 358 I CA -0.631 60.718 61.300 0.082 0.000 1.191 358 I CB 1.196 39.256 38.000 0.100 0.000 1.343 358 I HN 0.685 nan 8.210 nan 0.000 0.458 359 Y N 8.674 128.900 120.300 -0.123 0.000 2.496 359 Y HA 0.040 4.591 4.550 0.002 0.000 0.334 359 Y C 0.059 175.785 175.900 -0.290 0.000 1.080 359 Y CA -1.170 56.818 58.100 -0.187 0.000 1.355 359 Y CB -0.076 38.331 38.460 -0.089 0.000 1.193 359 Y HN 0.468 nan 8.280 nan 0.000 0.523 360 Y N 4.334 124.228 120.300 -0.676 0.000 2.969 360 Y HA 0.272 4.824 4.550 0.002 0.000 0.339 360 Y C 1.085 176.808 175.900 -0.295 0.000 1.272 360 Y CA 0.020 57.780 58.100 -0.566 0.000 1.577 360 Y CB -0.048 38.193 38.460 -0.365 0.000 1.234 360 Y HN 0.913 nan 8.280 nan 0.000 0.590 361 G N 2.298 111.056 108.800 -0.070 0.000 2.217 361 G HA2 -0.367 3.594 3.960 0.002 0.000 0.246 361 G HA3 -0.367 3.594 3.960 0.002 0.000 0.246 361 G C 0.886 175.697 174.900 -0.148 0.000 0.990 361 G CA 0.404 45.407 45.100 -0.162 0.000 0.627 361 G HN 0.842 nan 8.290 nan 0.000 0.522 362 T N 1.775 116.241 114.554 -0.146 0.000 2.665 362 T HA -0.127 4.224 4.350 0.002 0.000 0.268 362 T C 2.131 176.731 174.700 -0.166 0.000 1.035 362 T CA 2.009 64.055 62.100 -0.090 0.000 1.151 362 T CB -0.274 68.575 68.868 -0.032 0.000 0.862 362 T HN 0.778 nan 8.240 nan 0.000 0.438 363 E N 0.997 121.142 120.200 -0.092 0.000 2.510 363 E HA -0.148 4.203 4.350 0.002 0.000 0.202 363 E C 1.298 177.754 176.600 -0.241 0.000 1.072 363 E CA 0.859 57.166 56.400 -0.155 0.000 0.883 363 E CB -0.157 29.578 29.700 0.058 0.000 0.818 363 E HN 0.394 nan 8.360 nan 0.000 0.548 364 Q N -0.427 119.271 119.800 -0.169 0.000 2.247 364 Q HA 0.077 4.418 4.340 0.002 0.000 0.211 364 Q C -0.518 175.477 176.000 -0.009 0.000 0.861 364 Q CA -0.332 55.426 55.803 -0.075 0.000 0.949 364 Q CB -0.064 28.677 28.738 0.005 0.000 1.115 364 Q HN 0.334 nan 8.270 nan 0.000 0.507 365 Y N -1.355 118.936 120.300 -0.016 0.000 3.790 365 Y HA -0.261 4.290 4.550 0.002 0.000 0.226 365 Y C 0.210 176.151 175.900 0.069 0.000 1.257 365 Y CA 0.180 58.237 58.100 -0.072 0.000 1.765 365 Y CB -2.640 35.691 38.460 -0.216 0.000 1.552 365 Y HN 0.166 nan 8.280 nan 0.000 0.650 366 M N 0.789 120.461 119.600 0.119 0.000 2.239 366 M HA 0.266 4.747 4.480 0.002 0.000 0.348 366 M C 0.497 176.888 176.300 0.152 0.000 1.239 366 M CA 0.717 56.065 55.300 0.079 0.000 1.114 366 M CB 0.591 33.141 32.600 -0.083 0.000 1.641 366 M HN 0.306 nan 8.290 nan 0.000 0.453 367 S N 1.419 117.198 115.700 0.131 0.000 2.568 367 S HA 0.979 5.450 4.470 0.002 0.000 0.302 367 S C -0.210 174.417 174.600 0.045 0.000 1.082 367 S CA -0.885 57.374 58.200 0.099 0.000 1.009 367 S CB 2.190 65.422 63.200 0.054 0.000 1.069 367 S HN 0.990 nan 8.310 nan 0.000 0.500 368 G N -0.225 108.598 108.800 0.038 0.000 2.473 368 G HA2 0.547 4.508 3.960 0.002 0.000 0.298 368 G HA3 0.547 4.508 3.960 0.002 0.000 0.298 368 G C -0.266 174.655 174.900 0.035 0.000 1.575 368 G CA -0.281 44.836 45.100 0.028 0.000 0.846 368 G HN 0.902 nan 8.290 nan 0.000 0.585 369 G N -0.592 108.223 108.800 0.024 0.000 2.504 369 G HA2 0.644 4.605 3.960 0.002 0.000 0.257 369 G HA3 0.644 4.605 3.960 0.002 0.000 0.257 369 G C 0.983 175.905 174.900 0.037 0.000 1.451 369 G CA 0.664 45.779 45.100 0.025 0.000 1.059 369 G HN 1.679 nan 8.290 nan 0.000 0.550 370 T N -1.587 112.986 114.554 0.031 0.000 2.855 370 T HA 0.187 4.538 4.350 0.002 0.000 0.322 370 T C 0.414 175.136 174.700 0.037 0.000 1.088 370 T CA 0.339 62.459 62.100 0.033 0.000 1.104 370 T CB 0.712 69.592 68.868 0.019 0.000 0.996 370 T HN 0.651 nan 8.240 nan 0.000 0.549 371 D N 2.589 123.015 120.400 0.044 0.000 2.571 371 D HA 0.050 4.691 4.640 0.002 0.000 0.231 371 D C -1.337 175.002 176.300 0.065 0.000 1.133 371 D CA -1.366 52.675 54.000 0.068 0.000 0.862 371 D CB 0.596 41.451 40.800 0.091 0.000 1.179 371 D HN 0.410 nan 8.370 nan 0.000 0.474 372 P HA 0.130 nan 4.420 nan 0.000 0.262 372 P C 0.224 177.550 177.300 0.043 0.000 1.304 372 P CA -0.061 63.091 63.100 0.088 0.000 0.859 372 P CB 0.406 32.158 31.700 0.087 0.000 1.310 373 D N 1.586 122.006 120.400 0.033 0.000 2.221 373 D HA -0.151 4.490 4.640 0.002 0.000 0.204 373 D C 1.324 177.641 176.300 0.028 0.000 0.982 373 D CA 1.079 55.092 54.000 0.021 0.000 0.857 373 D CB -0.183 40.628 40.800 0.018 0.000 0.934 373 D HN 0.177 nan 8.370 nan 0.000 0.475 374 N N -0.559 118.171 118.700 0.050 0.000 2.322 374 N HA 0.006 4.747 4.740 0.002 0.000 0.194 374 N C 0.212 175.767 175.510 0.075 0.000 1.126 374 N CA 0.092 53.191 53.050 0.081 0.000 0.845 374 N CB 0.114 38.680 38.487 0.132 0.000 0.976 374 N HN 0.026 nan 8.380 nan 0.000 0.475 375 R N 0.064 120.582 120.500 0.030 0.000 2.700 375 R HA 0.433 4.774 4.340 0.002 0.000 0.377 375 R C -0.222 176.129 176.300 0.085 0.000 1.130 375 R CA -0.292 55.819 56.100 0.018 0.000 1.055 375 R CB 0.749 30.992 30.300 -0.094 0.000 1.387 375 R HN 0.171 nan 8.270 nan 0.000 0.580 376 A N 1.311 124.154 122.820 0.038 0.000 2.425 376 A HA 0.149 4.470 4.320 0.002 0.000 0.242 376 A C 0.136 177.789 177.584 0.115 0.000 1.077 376 A CA -0.286 51.772 52.037 0.036 0.000 0.781 376 A CB 0.229 19.225 19.000 -0.007 0.000 1.020 376 A HN 0.441 nan 8.150 nan 0.000 0.494 377 R N 2.032 122.585 120.500 0.088 0.000 2.570 377 R HA 0.125 4.466 4.340 0.002 0.000 0.277 377 R C 0.020 176.365 176.300 0.076 0.000 1.039 377 R CA -0.209 55.962 56.100 0.118 0.000 1.065 377 R CB 0.088 30.412 30.300 0.041 0.000 0.964 377 R HN 0.728 nan 8.270 nan 0.000 0.428 378 I N 8.342 128.996 120.570 0.141 0.000 2.845 378 I HA -0.050 4.121 4.170 0.002 0.000 0.290 378 I C -1.274 174.715 176.117 -0.213 0.000 1.202 378 I CA -1.338 59.945 61.300 -0.027 0.000 1.406 378 I CB 1.014 39.000 38.000 -0.023 0.000 1.383 378 I HN 0.737 nan 8.210 nan 0.000 0.549 379 P HA -0.146 nan 4.420 nan 0.000 0.216 379 P C -0.075 177.079 177.300 -0.243 0.000 1.157 379 P CA 1.419 64.430 63.100 -0.149 0.000 0.880 379 P CB -0.041 31.610 31.700 -0.082 0.000 0.791 380 S N -3.227 112.259 115.700 -0.356 0.000 2.636 380 S HA 0.499 4.970 4.470 0.002 0.000 0.268 380 S C -1.031 173.175 174.600 -0.657 0.000 1.159 380 S CA -0.836 57.092 58.200 -0.454 0.000 0.815 380 S CB 0.143 63.232 63.200 -0.184 0.000 1.130 380 S HN -0.145 nan 8.310 nan 0.000 0.471 381 F N 1.841 121.629 119.950 -0.269 0.000 2.732 381 F HA 0.534 5.062 4.527 0.002 0.000 0.312 381 F C 1.023 176.717 175.800 -0.177 0.000 1.240 381 F CA -0.506 57.165 58.000 -0.548 0.000 1.211 381 F CB 0.705 39.177 39.000 -0.880 0.000 1.331 381 F HN 0.607 nan 8.300 nan 0.000 0.537 382 S N 0.339 116.071 115.700 0.053 0.000 2.513 382 S HA 0.232 4.703 4.470 0.002 0.000 0.276 382 S C 1.201 175.718 174.600 -0.138 0.000 1.254 382 S CA -0.163 58.038 58.200 0.002 0.000 1.053 382 S CB 0.696 63.889 63.200 -0.012 0.000 0.958 382 S HN 0.541 nan 8.310 nan 0.000 0.491 383 T N 1.481 115.815 114.554 -0.366 0.000 3.122 383 T HA 0.192 4.543 4.350 0.002 0.000 0.250 383 T C 1.227 175.642 174.700 -0.474 0.000 1.067 383 T CA 0.033 61.517 62.100 -1.027 0.000 0.966 383 T CB -0.009 68.394 68.868 -0.774 0.000 1.002 383 T HN 0.399 nan 8.240 nan 0.000 0.542 384 S N 1.925 117.506 115.700 -0.197 0.000 2.501 384 S HA 0.098 4.569 4.470 0.002 0.000 0.220 384 S C 1.352 175.966 174.600 0.024 0.000 0.997 384 S CA 0.449 58.614 58.200 -0.058 0.000 0.919 384 S CB -0.198 62.987 63.200 -0.024 0.000 0.778 384 S HN 0.910 nan 8.310 nan 0.000 0.523 385 T N 0.106 114.693 114.554 0.055 0.000 2.855 385 T HA 0.077 4.428 4.350 0.002 0.000 0.314 385 T C 1.240 176.050 174.700 0.183 0.000 1.077 385 T CA 0.170 62.374 62.100 0.173 0.000 1.095 385 T CB 0.695 69.654 68.868 0.151 0.000 0.987 385 T HN 0.009 nan 8.240 nan 0.000 0.546 386 T N 1.853 116.555 114.554 0.246 0.000 2.896 386 T HA 0.113 4.464 4.350 0.002 0.000 0.263 386 T C 2.402 177.184 174.700 0.137 0.000 1.050 386 T CA 0.999 63.211 62.100 0.187 0.000 1.140 386 T CB -0.737 68.251 68.868 0.199 0.000 0.877 386 T HN 0.808 nan 8.240 nan 0.000 0.457 387 A N 0.584 123.453 122.820 0.082 0.000 1.908 387 A HA -0.135 4.186 4.320 0.002 0.000 0.218 387 A C 2.048 179.617 177.584 -0.026 0.000 1.181 387 A CA 1.607 53.599 52.037 -0.074 0.000 0.627 387 A CB -1.069 17.690 19.000 -0.400 0.000 0.818 387 A HN 0.576 nan 8.150 nan 0.000 0.445 388 Y N 0.647 120.887 120.300 -0.099 0.000 2.097 388 Y HA -0.287 4.264 4.550 0.001 0.000 0.282 388 Y C 2.627 178.493 175.900 -0.056 0.000 1.152 388 Y CA 2.448 60.505 58.100 -0.071 0.000 1.136 388 Y CB -0.437 38.002 38.460 -0.033 0.000 0.975 388 Y HN 0.459 nan 8.280 nan 0.000 0.498 389 Q N -0.960 118.977 119.800 0.228 0.000 2.124 389 Q HA -0.182 4.160 4.340 0.002 0.000 0.202 389 Q C 2.302 178.311 176.000 0.014 0.000 0.977 389 Q CA 1.851 57.731 55.803 0.129 0.000 0.850 389 Q CB -0.361 28.444 28.738 0.112 0.000 0.901 389 Q HN 0.390 nan 8.270 nan 0.000 0.429 390 V N 1.213 121.125 119.914 -0.003 0.000 2.237 390 V HA -0.291 3.830 4.120 0.002 0.000 0.245 390 V C 2.189 178.231 176.094 -0.086 0.000 1.046 390 V CA 1.846 64.122 62.300 -0.041 0.000 1.007 390 V CB -0.541 31.260 31.823 -0.037 0.000 0.638 390 V HN 0.330 nan 8.190 nan 0.000 0.445 391 I N -0.081 120.414 120.570 -0.124 0.000 2.151 391 I HA -0.382 3.789 4.170 0.002 0.000 0.243 391 I C 2.721 178.725 176.117 -0.189 0.000 1.080 391 I CA 2.276 63.475 61.300 -0.168 0.000 1.339 391 I CB -0.526 37.334 38.000 -0.232 0.000 1.039 391 I HN 0.442 nan 8.210 nan 0.000 0.409 392 Q N 1.402 121.066 119.800 -0.227 0.000 2.152 392 Q HA -0.261 4.080 4.340 0.002 0.000 0.206 392 Q C 2.055 177.988 176.000 -0.111 0.000 0.985 392 Q CA 1.775 57.465 55.803 -0.189 0.000 0.863 392 Q CB 0.043 28.704 28.738 -0.128 0.000 0.904 392 Q HN 0.496 nan 8.270 nan 0.000 0.422 393 K N -0.289 120.060 120.400 -0.084 0.000 2.186 393 K HA 0.034 4.355 4.320 0.002 0.000 0.202 393 K C 2.127 178.678 176.600 -0.083 0.000 1.052 393 K CA 0.622 56.867 56.287 -0.069 0.000 0.965 393 K CB 0.224 32.692 32.500 -0.052 0.000 0.746 393 K HN 0.271 nan 8.250 nan 0.000 0.457 394 L N 0.284 121.450 121.223 -0.095 0.000 2.145 394 L HA 0.024 4.365 4.340 0.002 0.000 0.201 394 L C 2.614 179.419 176.870 -0.108 0.000 1.075 394 L CA 0.662 55.442 54.840 -0.099 0.000 0.773 394 L CB -0.720 41.280 42.059 -0.098 0.000 0.936 394 L HN 0.097 nan 8.230 nan 0.000 0.451 395 A N 1.421 124.170 122.820 -0.119 0.000 1.881 395 A HA -0.208 4.113 4.320 0.002 0.000 0.219 395 A C -0.091 177.418 177.584 -0.125 0.000 1.215 395 A CA 2.403 54.365 52.037 -0.126 0.000 0.648 395 A CB -2.189 16.729 19.000 -0.138 0.000 0.832 395 A HN 0.305 nan 8.150 nan 0.000 0.455 396 P HA -0.156 nan 4.420 nan 0.000 0.218 396 P C 1.515 178.749 177.300 -0.110 0.000 1.146 396 P CA 0.866 63.901 63.100 -0.108 0.000 0.813 396 P CB -0.267 31.379 31.700 -0.091 0.000 0.778 397 L N -0.551 120.607 121.223 -0.107 0.000 2.042 397 L HA -0.185 4.156 4.340 0.002 0.000 0.210 397 L C 2.617 179.407 176.870 -0.133 0.000 1.076 397 L CA 1.699 56.476 54.840 -0.105 0.000 0.749 397 L CB -0.700 41.301 42.059 -0.096 0.000 0.893 397 L HN -0.003 nan 8.230 nan 0.000 0.432 398 R N -0.082 120.324 120.500 -0.158 0.000 2.261 398 R HA -0.166 4.175 4.340 0.002 0.000 0.236 398 R C 1.892 178.052 176.300 -0.233 0.000 1.141 398 R CA 0.871 56.845 56.100 -0.211 0.000 1.001 398 R CB -0.113 30.058 30.300 -0.216 0.000 0.866 398 R HN 0.477 nan 8.270 nan 0.000 0.468 399 K N -0.573 119.719 120.400 -0.180 0.000 2.329 399 K HA 0.063 4.384 4.320 0.002 0.000 0.198 399 K C 2.048 178.570 176.600 -0.129 0.000 1.085 399 K CA 0.918 57.106 56.287 -0.165 0.000 0.961 399 K CB 0.478 32.892 32.500 -0.144 0.000 0.971 399 K HN 0.115 nan 8.250 nan 0.000 0.502 400 S N 0.773 116.407 115.700 -0.110 0.000 2.446 400 S HA 0.027 4.498 4.470 0.002 0.000 0.225 400 S C 0.845 175.400 174.600 -0.075 0.000 1.016 400 S CA 0.257 58.407 58.200 -0.084 0.000 0.943 400 S CB -0.073 63.084 63.200 -0.073 0.000 0.786 400 S HN 0.040 nan 8.310 nan 0.000 0.508 401 N N 2.082 120.729 118.700 -0.088 0.000 2.569 401 N HA 0.406 5.147 4.740 0.002 0.000 0.254 401 N C -2.527 172.925 175.510 -0.097 0.000 1.004 401 N CA -2.202 50.810 53.050 -0.062 0.000 0.904 401 N CB 1.873 40.334 38.487 -0.044 0.000 1.165 401 N HN -0.058 nan 8.380 nan 0.000 0.513 402 P HA -0.078 nan 4.420 nan 0.000 0.219 402 P C 0.956 178.176 177.300 -0.133 0.000 1.146 402 P CA 0.772 63.804 63.100 -0.113 0.000 0.808 402 P CB 0.313 32.118 31.700 0.175 0.000 0.779 403 A N -0.475 122.375 122.820 0.051 0.000 1.940 403 A HA -0.184 4.137 4.320 0.002 0.000 0.219 403 A C 2.199 179.776 177.584 -0.013 0.000 1.176 403 A CA 1.495 53.596 52.037 0.107 0.000 0.631 403 A CB -1.556 17.528 19.000 0.141 0.000 0.814 403 A HN 0.168 nan 8.150 nan 0.000 0.446 404 I N -0.776 119.740 120.570 -0.090 0.000 2.333 404 I HA -0.155 4.016 4.170 0.002 0.000 0.246 404 I C 2.882 178.860 176.117 -0.232 0.000 1.106 404 I CA 0.928 62.154 61.300 -0.122 0.000 1.411 404 I CB -0.185 37.740 38.000 -0.125 0.000 1.082 404 I HN 0.324 nan 8.210 nan 0.000 0.420 405 A N 0.143 122.714 122.820 -0.414 0.000 1.872 405 A HA -0.149 4.172 4.320 0.002 0.000 0.214 405 A C 1.687 178.874 177.584 -0.662 0.000 1.187 405 A CA 1.636 53.265 52.037 -0.679 0.000 0.614 405 A CB -0.549 17.781 19.000 -1.115 0.000 0.826 405 A HN 0.499 nan 8.150 nan 0.000 0.442 406 Y N -0.872 119.217 120.300 -0.351 0.000 2.471 406 Y HA 0.379 4.930 4.550 0.002 0.000 0.249 406 Y C 1.614 177.374 175.900 -0.234 0.000 1.116 406 Y CA -0.972 56.887 58.100 -0.402 0.000 1.240 406 Y CB -0.748 37.176 38.460 -0.893 0.000 1.251 406 Y HN 0.236 nan 8.280 nan 0.000 0.527 407 G N 1.208 110.005 108.800 -0.006 0.000 2.690 407 G HA2 0.290 4.251 3.960 0.002 0.000 0.239 407 G HA3 0.290 4.251 3.960 0.002 0.000 0.239 407 G C 0.382 175.392 174.900 0.183 0.000 1.233 407 G CA 0.051 45.278 45.100 0.212 0.000 0.847 407 G HN 0.291 nan 8.290 nan 0.000 0.588 408 S N -1.118 114.707 115.700 0.209 0.000 2.655 408 S HA 0.621 5.092 4.470 0.002 0.000 0.265 408 S C -0.074 174.614 174.600 0.147 0.000 1.240 408 S CA -0.488 57.808 58.200 0.161 0.000 0.986 408 S CB 1.586 64.877 63.200 0.151 0.000 0.985 408 S HN 0.571 nan 8.310 nan 0.000 0.562 409 T N 1.574 116.207 114.554 0.132 0.000 2.864 409 T HA 0.460 4.811 4.350 0.002 0.000 0.299 409 T C -0.937 173.851 174.700 0.147 0.000 1.011 409 T CA -0.453 61.735 62.100 0.148 0.000 0.975 409 T CB 0.972 69.900 68.868 0.100 0.000 0.962 409 T HN 0.654 nan 8.240 nan 0.000 0.448 410 Q N 2.297 122.208 119.800 0.184 0.000 2.337 410 Q HA 0.273 4.614 4.340 0.002 0.000 0.270 410 Q C -0.883 175.242 176.000 0.208 0.000 1.043 410 Q CA -0.715 55.185 55.803 0.162 0.000 0.794 410 Q CB 1.720 30.537 28.738 0.131 0.000 1.281 410 Q HN 0.601 nan 8.270 nan 0.000 0.446 411 E N 3.857 124.165 120.200 0.180 0.000 2.257 411 E HA 0.065 4.416 4.350 0.002 0.000 0.278 411 E C -0.184 176.522 176.600 0.178 0.000 1.049 411 E CA 0.066 56.588 56.400 0.204 0.000 0.876 411 E CB 0.642 30.433 29.700 0.151 0.000 1.035 411 E HN 0.615 nan 8.360 nan 0.000 0.419 412 R N 3.380 124.015 120.500 0.224 0.000 2.225 412 R HA 0.105 4.446 4.340 0.002 0.000 0.194 412 R C -0.097 176.367 176.300 0.273 0.000 0.957 412 R CA 0.272 56.499 56.100 0.212 0.000 1.042 412 R CB 0.405 30.830 30.300 0.209 0.000 1.004 412 R HN 0.534 nan 8.270 nan 0.000 0.509 413 W N 0.403 121.768 121.300 0.107 0.000 3.259 413 W HA 0.585 5.246 4.660 0.002 0.000 0.331 413 W C -1.401 175.158 176.519 0.067 0.000 1.144 413 W CA -0.515 56.879 57.345 0.081 0.000 1.227 413 W CB 1.286 30.797 29.460 0.085 0.000 1.371 413 W HN -0.204 nan 8.180 nan 0.000 0.491 414 I N 6.405 126.900 120.570 -0.125 0.000 2.841 414 I HA 0.480 4.651 4.170 0.002 0.000 0.298 414 I C -1.553 174.399 176.117 -0.276 0.000 1.304 414 I CA -0.584 60.666 61.300 -0.084 0.000 1.019 414 I CB 1.899 39.846 38.000 -0.088 0.000 1.282 414 I HN 0.644 nan 8.210 nan 0.000 0.432 415 N N 3.664 122.226 118.700 -0.231 0.000 3.308 415 N HA 0.286 5.027 4.740 0.002 0.000 0.276 415 N C -0.339 174.923 175.510 -0.413 0.000 1.533 415 N CA -0.604 52.319 53.050 -0.211 0.000 0.878 415 N CB 0.186 38.671 38.487 -0.002 0.000 1.566 415 N HN 0.462 nan 8.380 nan 0.000 0.546 416 N N -0.236 118.390 118.700 -0.123 0.000 2.069 416 N HA -0.161 4.580 4.740 0.002 0.000 0.196 416 N C 0.026 175.446 175.510 -0.150 0.000 1.024 416 N CA 2.227 55.239 53.050 -0.063 0.000 0.869 416 N CB -0.220 38.320 38.487 0.089 0.000 1.035 416 N HN 0.601 nan 8.380 nan 0.000 0.434 417 D N -1.236 119.112 120.400 -0.086 0.000 2.455 417 D HA 0.108 4.749 4.640 0.002 0.000 0.228 417 D C 0.009 176.277 176.300 -0.053 0.000 1.070 417 D CA 0.046 53.994 54.000 -0.087 0.000 0.881 417 D CB 0.841 41.621 40.800 -0.032 0.000 1.087 417 D HN -0.057 nan 8.370 nan 0.000 0.498 418 V N 2.093 122.022 119.914 0.025 0.000 2.509 418 V HA 0.345 4.466 4.120 0.002 0.000 0.284 418 V C -0.423 175.753 176.094 0.136 0.000 1.047 418 V CA -0.602 61.775 62.300 0.128 0.000 0.952 418 V CB 1.961 33.943 31.823 0.266 0.000 0.988 418 V HN 0.010 nan 8.190 nan 0.000 0.469 419 L N 6.739 128.074 121.223 0.186 0.000 2.476 419 L HA 0.638 4.979 4.340 0.002 0.000 0.269 419 L C -0.994 176.086 176.870 0.351 0.000 0.965 419 L CA 0.100 55.082 54.840 0.236 0.000 0.845 419 L CB 1.611 43.773 42.059 0.171 0.000 1.259 419 L HN 0.550 nan 8.230 nan 0.000 0.403 420 I N 6.456 127.260 120.570 0.389 0.000 2.411 420 I HA 0.352 4.523 4.170 0.002 0.000 0.284 420 I C -1.115 175.218 176.117 0.360 0.000 1.012 420 I CA -0.715 60.793 61.300 0.347 0.000 1.119 420 I CB 1.153 39.387 38.000 0.389 0.000 1.261 420 I HN 0.632 nan 8.210 nan 0.000 0.448 421 Y N 3.472 123.910 120.300 0.230 0.000 2.587 421 Y HA 0.785 5.336 4.550 0.002 0.000 0.337 421 Y C -0.590 175.410 175.900 0.166 0.000 1.065 421 Y CA -1.380 56.835 58.100 0.191 0.000 1.126 421 Y CB 1.100 39.675 38.460 0.192 0.000 1.279 421 Y HN 0.473 nan 8.280 nan 0.000 0.489 422 E N 1.645 122.010 120.200 0.275 0.000 2.248 422 E HA 0.474 4.825 4.350 0.002 0.000 0.267 422 E C -1.321 175.402 176.600 0.204 0.000 0.877 422 E CA -1.163 55.339 56.400 0.169 0.000 0.759 422 E CB 1.201 30.980 29.700 0.131 0.000 1.182 422 E HN 0.670 nan 8.360 nan 0.000 0.418 423 R N 3.583 124.180 120.500 0.162 0.000 2.387 423 R HA 0.446 4.787 4.340 0.002 0.000 0.314 423 R C -0.540 175.852 176.300 0.154 0.000 0.958 423 R CA -0.672 55.525 56.100 0.161 0.000 0.846 423 R CB 1.626 32.008 30.300 0.136 0.000 1.147 423 R HN 0.418 nan 8.270 nan 0.000 0.447 424 K N 2.334 122.841 120.400 0.178 0.000 2.371 424 K HA 0.532 4.853 4.320 0.002 0.000 0.251 424 K C -1.578 175.204 176.600 0.303 0.000 0.934 424 K CA -0.752 55.652 56.287 0.195 0.000 0.798 424 K CB 1.737 34.322 32.500 0.142 0.000 1.204 424 K HN 0.427 nan 8.250 nan 0.000 0.427 425 F N 1.966 121.972 119.950 0.095 0.000 3.055 425 F HA 0.261 4.789 4.527 0.002 0.000 0.358 425 F C 0.132 175.981 175.800 0.083 0.000 1.262 425 F CA 0.623 58.683 58.000 0.099 0.000 1.172 425 F CB 0.708 39.787 39.000 0.131 0.000 1.503 425 F HN 0.841 nan 8.300 nan 0.000 0.621 426 G N 3.326 111.931 108.800 -0.325 0.000 2.583 426 G HA2 -0.301 3.660 3.960 0.002 0.000 0.292 426 G HA3 -0.301 3.660 3.960 0.002 0.000 0.292 426 G C 0.486 175.376 174.900 -0.016 0.000 1.203 426 G CA 0.192 45.155 45.100 -0.228 0.000 0.987 426 G HN 1.115 nan 8.290 nan 0.000 0.554 427 S N 2.378 118.098 115.700 0.033 0.000 2.677 427 S HA 0.316 4.787 4.470 0.002 0.000 0.246 427 S C 0.274 174.990 174.600 0.193 0.000 1.005 427 S CA -0.060 58.220 58.200 0.134 0.000 1.062 427 S CB -0.344 62.926 63.200 0.117 0.000 0.778 427 S HN 0.561 nan 8.310 nan 0.000 0.461 428 N N 1.060 119.870 118.700 0.184 0.000 2.238 428 N HA 0.599 5.340 4.740 0.002 0.000 0.302 428 N C -1.175 174.469 175.510 0.224 0.000 1.072 428 N CA -0.358 52.808 53.050 0.193 0.000 0.792 428 N CB 2.465 41.046 38.487 0.157 0.000 1.425 428 N HN -0.043 nan 8.380 nan 0.000 0.478 429 V N -0.178 119.875 119.914 0.231 0.000 3.114 429 V HA 0.880 5.001 4.120 0.002 0.000 0.308 429 V C -0.918 175.255 176.094 0.131 0.000 1.168 429 V CA -0.940 61.465 62.300 0.175 0.000 1.015 429 V CB 2.001 33.915 31.823 0.152 0.000 1.050 429 V HN 0.851 nan 8.190 nan 0.000 0.433 430 A N 1.948 124.823 122.820 0.090 0.000 2.466 430 A HA 0.787 5.108 4.320 0.002 0.000 0.284 430 A C -1.401 176.197 177.584 0.024 0.000 1.049 430 A CA -0.417 51.651 52.037 0.052 0.000 0.760 430 A CB 1.663 20.679 19.000 0.027 0.000 1.274 430 A HN 0.759 nan 8.150 nan 0.000 0.412 431 V N 3.211 123.153 119.914 0.046 0.000 2.347 431 V HA 0.473 4.594 4.120 0.002 0.000 0.280 431 V C -0.231 175.828 176.094 -0.058 0.000 1.021 431 V CA -0.462 61.883 62.300 0.076 0.000 0.847 431 V CB 1.396 33.371 31.823 0.254 0.000 0.990 431 V HN 0.659 nan 8.190 nan 0.000 0.444 432 V N 4.265 123.953 119.914 -0.376 0.000 2.459 432 V HA 0.824 4.945 4.120 0.002 0.000 0.295 432 V C 0.288 176.164 176.094 -0.365 0.000 1.029 432 V CA -0.472 61.479 62.300 -0.582 0.000 0.874 432 V CB 1.767 33.015 31.823 -0.958 0.000 0.985 432 V HN 0.948 nan 8.190 nan 0.000 0.438 433 A N 4.747 127.422 122.820 -0.243 0.000 2.330 433 A HA 0.870 5.191 4.320 0.002 0.000 0.313 433 A C -1.011 176.604 177.584 0.052 0.000 1.124 433 A CA -0.511 51.544 52.037 0.030 0.000 0.774 433 A CB 1.529 20.658 19.000 0.215 0.000 1.198 433 A HN 0.696 nan 8.150 nan 0.000 0.465 434 V N 3.083 123.100 119.914 0.173 0.000 2.482 434 V HA 0.358 4.479 4.120 0.002 0.000 0.295 434 V C -0.566 175.635 176.094 0.178 0.000 1.026 434 V CA -0.805 61.614 62.300 0.198 0.000 0.856 434 V CB 1.777 33.794 31.823 0.322 0.000 1.001 434 V HN 0.874 nan 8.190 nan 0.000 0.424 435 N N 3.914 122.701 118.700 0.144 0.000 2.609 435 N HA 0.235 4.976 4.740 0.002 0.000 0.234 435 N C 1.205 176.781 175.510 0.110 0.000 1.001 435 N CA -0.706 52.407 53.050 0.105 0.000 0.926 435 N CB 1.047 39.584 38.487 0.083 0.000 1.130 435 N HN 0.723 nan 8.380 nan 0.000 0.510 436 R N 2.259 122.806 120.500 0.079 0.000 2.152 436 R HA -0.020 4.321 4.340 0.002 0.000 0.232 436 R C 0.289 176.617 176.300 0.047 0.000 1.117 436 R CA 0.588 56.729 56.100 0.068 0.000 0.981 436 R CB -0.231 29.975 30.300 -0.156 0.000 0.870 436 R HN 0.240 nan 8.270 nan 0.000 0.451 437 N N 1.846 120.562 118.700 0.026 0.000 2.412 437 N HA -0.049 4.692 4.740 0.002 0.000 0.279 437 N C 0.480 176.016 175.510 0.043 0.000 1.287 437 N CA 0.212 53.277 53.050 0.026 0.000 0.948 437 N CB 0.624 39.124 38.487 0.022 0.000 1.255 437 N HN 0.354 nan 8.380 nan 0.000 0.485 438 L N 2.718 123.969 121.223 0.046 0.000 2.478 438 L HA -0.031 4.310 4.340 0.002 0.000 0.223 438 L C 0.779 177.672 176.870 0.039 0.000 1.140 438 L CA 0.762 55.633 54.840 0.051 0.000 0.842 438 L CB -0.117 41.976 42.059 0.058 0.000 0.953 438 L HN 0.499 nan 8.230 nan 0.000 0.452 439 N N -0.532 118.187 118.700 0.031 0.000 2.227 439 N HA 0.228 4.969 4.740 0.002 0.000 0.196 439 N C 0.206 175.731 175.510 0.024 0.000 1.142 439 N CA 0.002 53.068 53.050 0.025 0.000 0.887 439 N CB 0.846 39.346 38.487 0.020 0.000 1.022 439 N HN 0.150 nan 8.380 nan 0.000 0.500 440 A N 1.138 123.973 122.820 0.026 0.000 2.371 440 A HA 0.662 4.983 4.320 0.002 0.000 0.311 440 A C -2.710 174.889 177.584 0.026 0.000 1.068 440 A CA -1.503 50.549 52.037 0.024 0.000 0.744 440 A CB 1.492 20.506 19.000 0.023 0.000 1.239 440 A HN -0.164 nan 8.150 nan 0.000 0.435 441 P HA 0.609 nan 4.420 nan 0.000 0.280 441 P C -0.736 176.562 177.300 -0.003 0.000 1.272 441 P CA -0.322 62.786 63.100 0.014 0.000 0.819 441 P CB 1.508 33.215 31.700 0.012 0.000 1.122 442 A N 0.331 123.127 122.820 -0.040 0.000 2.374 442 A HA 0.519 4.840 4.320 0.002 0.000 0.305 442 A C -0.335 177.120 177.584 -0.215 0.000 1.053 442 A CA -0.471 51.513 52.037 -0.088 0.000 0.726 442 A CB 0.841 19.789 19.000 -0.087 0.000 1.229 442 A HN 0.298 nan 8.150 nan 0.000 0.431 443 S N 2.408 117.998 115.700 -0.183 0.000 2.416 443 S HA 0.315 4.786 4.470 0.002 0.000 0.302 443 S C 0.059 174.380 174.600 -0.465 0.000 1.120 443 S CA -0.326 57.722 58.200 -0.254 0.000 1.067 443 S CB -0.554 62.585 63.200 -0.102 0.000 1.057 443 S HN 0.448 nan 8.310 nan 0.000 0.518 444 I N 5.053 125.099 120.570 -0.873 0.000 2.294 444 I HA 0.239 4.410 4.170 0.002 0.000 0.295 444 I C 0.533 176.214 176.117 -0.727 0.000 1.098 444 I CA -0.121 60.413 61.300 -1.277 0.000 1.277 444 I CB -0.381 36.414 38.000 -2.008 0.000 1.434 444 I HN 0.465 nan 8.210 nan 0.000 0.498 445 S N 2.562 118.103 115.700 -0.265 0.000 2.570 445 S HA 0.784 5.255 4.470 0.002 0.000 0.286 445 S C 0.642 175.387 174.600 0.242 0.000 1.099 445 S CA -0.279 57.918 58.200 -0.005 0.000 0.913 445 S CB 2.135 65.355 63.200 0.033 0.000 1.085 445 S HN 1.038 nan 8.310 nan 0.000 0.480 446 G N 0.033 108.928 108.800 0.160 0.000 2.143 446 G HA2 -0.226 3.735 3.960 0.002 0.000 0.248 446 G HA3 -0.226 3.735 3.960 0.002 0.000 0.248 446 G C -0.234 174.814 174.900 0.247 0.000 0.991 446 G CA 0.244 45.455 45.100 0.186 0.000 0.689 446 G HN 1.111 nan 8.290 nan 0.000 0.522 447 L N 0.897 122.258 121.223 0.230 0.000 2.360 447 L HA 0.644 4.985 4.340 0.002 0.000 0.276 447 L C 0.172 177.120 176.870 0.130 0.000 1.121 447 L CA -0.336 54.653 54.840 0.249 0.000 0.845 447 L CB 1.330 43.478 42.059 0.148 0.000 1.143 447 L HN 0.091 nan 8.230 nan 0.000 0.452 448 V N 4.536 124.528 119.914 0.129 0.000 2.604 448 V HA 0.747 4.868 4.120 0.002 0.000 0.305 448 V C 0.194 176.320 176.094 0.053 0.000 1.043 448 V CA 0.049 62.388 62.300 0.065 0.000 0.888 448 V CB 1.715 33.574 31.823 0.060 0.000 0.995 448 V HN 0.996 nan 8.190 nan 0.000 0.429 449 T N 0.233 114.791 114.554 0.005 0.000 2.669 449 T HA 0.393 4.744 4.350 0.002 0.000 0.283 449 T C 0.404 175.088 174.700 -0.027 0.000 1.019 449 T CA -0.161 61.935 62.100 -0.007 0.000 1.039 449 T CB 1.900 70.736 68.868 -0.054 0.000 1.374 449 T HN 0.322 nan 8.240 nan 0.000 0.523 450 S N -0.094 115.587 115.700 -0.031 0.000 2.540 450 S HA 0.336 4.807 4.470 0.002 0.000 0.218 450 S C 0.533 175.072 174.600 -0.102 0.000 0.977 450 S CA -0.486 57.691 58.200 -0.038 0.000 0.918 450 S CB -0.577 62.626 63.200 0.005 0.000 0.806 450 S HN 0.485 nan 8.310 nan 0.000 0.496 451 L N 3.195 124.321 121.223 -0.161 0.000 2.462 451 L HA 0.229 4.570 4.340 0.002 0.000 0.272 451 L C -2.371 174.363 176.870 -0.227 0.000 1.166 451 L CA -1.770 52.903 54.840 -0.278 0.000 0.880 451 L CB -0.154 41.594 42.059 -0.519 0.000 1.142 451 L HN -0.083 nan 8.230 nan 0.000 0.473 452 P HA -0.038 nan 4.420 nan 0.000 0.270 452 P C -0.783 176.504 177.300 -0.022 0.000 1.223 452 P CA -0.418 62.555 63.100 -0.212 0.000 0.785 452 P CB 0.390 31.843 31.700 -0.411 0.000 0.923 453 Q N 0.983 120.773 119.800 -0.016 0.000 2.283 453 Q HA 0.350 4.691 4.340 0.002 0.000 0.301 453 Q C -0.099 175.934 176.000 0.056 0.000 1.063 453 Q CA 0.554 56.373 55.803 0.026 0.000 0.952 453 Q CB -0.393 28.343 28.738 -0.003 0.000 1.166 453 Q HN 0.702 nan 8.270 nan 0.000 0.381 454 G N 1.899 110.752 108.800 0.088 0.000 2.328 454 G HA2 0.117 4.078 3.960 0.002 0.000 0.299 454 G HA3 0.117 4.078 3.960 0.002 0.000 0.299 454 G C -1.582 173.275 174.900 -0.072 0.000 1.435 454 G CA -0.742 44.328 45.100 -0.049 0.000 0.865 454 G HN 0.483 nan 8.290 nan 0.000 0.601 455 S N -0.019 115.547 115.700 -0.223 0.000 2.452 455 S HA 0.615 5.086 4.470 0.002 0.000 0.284 455 S C -1.157 173.260 174.600 -0.306 0.000 1.171 455 S CA -0.159 57.947 58.200 -0.156 0.000 1.064 455 S CB 0.279 63.414 63.200 -0.108 0.000 0.967 455 S HN 0.373 nan 8.310 nan 0.000 0.484 456 Y N 2.934 123.193 120.300 -0.067 0.000 2.328 456 Y HA 0.390 4.941 4.550 0.002 0.000 0.337 456 Y C 0.507 176.489 175.900 0.136 0.000 0.966 456 Y CA -1.111 57.007 58.100 0.030 0.000 1.136 456 Y CB 0.855 39.324 38.460 0.016 0.000 1.170 456 Y HN 0.500 nan 8.280 nan 0.000 0.470 457 N N 1.577 120.423 118.700 0.243 0.000 2.515 457 N HA 0.061 4.802 4.740 0.002 0.000 0.279 457 N C -0.860 174.800 175.510 0.250 0.000 1.164 457 N CA -0.610 52.562 53.050 0.203 0.000 0.982 457 N CB 0.785 39.325 38.487 0.088 0.000 1.170 457 N HN 0.629 nan 8.380 nan 0.000 0.474 458 D N 0.341 120.828 120.400 0.145 0.000 2.358 458 D HA 0.037 4.678 4.640 0.002 0.000 0.258 458 D C 0.914 177.182 176.300 -0.053 0.000 1.223 458 D CA -0.226 53.748 54.000 -0.044 0.000 0.886 458 D CB 0.657 41.403 40.800 -0.090 0.000 1.120 458 D HN 0.150 nan 8.370 nan 0.000 0.482 459 V N 4.479 124.337 119.914 -0.094 0.000 2.688 459 V HA -0.198 3.923 4.120 0.002 0.000 0.256 459 V C 2.122 178.172 176.094 -0.074 0.000 1.084 459 V CA 1.220 63.482 62.300 -0.065 0.000 1.103 459 V CB -0.531 31.247 31.823 -0.076 0.000 0.688 459 V HN 0.691 nan 8.190 nan 0.000 0.480 460 L N 0.343 121.503 121.223 -0.105 0.000 2.599 460 L HA 0.209 4.550 4.340 0.002 0.000 0.230 460 L C 1.707 178.549 176.870 -0.046 0.000 1.141 460 L CA 0.729 55.521 54.840 -0.080 0.000 0.877 460 L CB -0.681 41.315 42.059 -0.104 0.000 1.009 460 L HN 0.548 nan 8.230 nan 0.000 0.447 461 G N 0.462 109.241 108.800 -0.036 0.000 2.323 461 G HA2 -0.264 3.697 3.960 0.002 0.000 0.292 461 G HA3 -0.264 3.697 3.960 0.002 0.000 0.292 461 G C 1.033 175.930 174.900 -0.006 0.000 1.040 461 G CA 0.450 45.542 45.100 -0.012 0.000 0.942 461 G HN 0.643 nan 8.290 nan 0.000 0.506 462 G N -1.591 107.200 108.800 -0.014 0.000 2.175 462 G HA2 -0.252 3.709 3.960 0.002 0.000 0.265 462 G HA3 -0.252 3.709 3.960 0.002 0.000 0.265 462 G C 1.314 176.215 174.900 0.000 0.000 0.979 462 G CA 1.174 46.273 45.100 -0.002 0.000 0.663 462 G HN 1.666 nan 8.290 nan 0.000 0.533 463 L N -0.099 121.120 121.223 -0.006 0.000 2.021 463 L HA 0.079 4.420 4.340 0.002 0.000 0.215 463 L C 2.064 178.940 176.870 0.011 0.000 1.074 463 L CA 2.277 57.120 54.840 0.005 0.000 0.760 463 L CB -0.133 41.927 42.059 0.002 0.000 0.889 463 L HN 0.398 nan 8.230 nan 0.000 0.433 464 L N 0.267 121.489 121.223 -0.003 0.000 3.036 464 L HA 0.203 4.544 4.340 0.002 0.000 0.237 464 L C 0.146 177.023 176.870 0.013 0.000 1.319 464 L CA -0.108 54.737 54.840 0.008 0.000 1.112 464 L CB -0.833 41.225 42.059 -0.002 0.000 1.480 464 L HN 0.409 nan 8.230 nan 0.000 0.506 465 N N -0.013 118.698 118.700 0.017 0.000 2.754 465 N HA -0.161 4.580 4.740 0.002 0.000 0.248 465 N C 0.636 176.163 175.510 0.029 0.000 1.093 465 N CA 0.766 53.833 53.050 0.029 0.000 0.699 465 N CB -0.855 37.657 38.487 0.041 0.000 1.016 465 N HN 0.615 nan 8.380 nan 0.000 0.552 466 G N 0.026 108.826 108.800 0.001 0.000 2.621 466 G HA2 0.469 4.430 3.960 0.002 0.000 0.271 466 G HA3 0.469 4.430 3.960 0.002 0.000 0.271 466 G C 0.192 175.115 174.900 0.039 0.000 1.236 466 G CA -0.038 45.051 45.100 -0.018 0.000 0.958 466 G HN 0.472 nan 8.290 nan 0.000 0.512 467 N N -1.995 116.755 118.700 0.082 0.000 2.972 467 N HA 0.284 5.025 4.740 0.002 0.000 0.262 467 N C -1.281 174.352 175.510 0.205 0.000 1.478 467 N CA -0.611 52.507 53.050 0.112 0.000 0.841 467 N CB 1.385 39.935 38.487 0.105 0.000 1.512 467 N HN 0.314 nan 8.380 nan 0.000 0.548 468 T N 1.023 115.641 114.554 0.106 0.000 2.856 468 T HA 0.349 4.700 4.350 0.002 0.000 0.292 468 T C -0.223 174.384 174.700 -0.155 0.000 0.980 468 T CA -0.351 61.805 62.100 0.094 0.000 1.091 468 T CB 0.380 69.269 68.868 0.035 0.000 0.936 468 T HN 0.354 nan 8.240 nan 0.000 0.503 469 L N 3.247 124.247 121.223 -0.371 0.000 2.289 469 L HA 0.579 4.920 4.340 0.002 0.000 0.285 469 L C 0.097 176.748 176.870 -0.366 0.000 1.049 469 L CA 0.081 54.420 54.840 -0.836 0.000 0.804 469 L CB 1.754 42.656 42.059 -1.928 0.000 1.195 469 L HN 0.532 nan 8.230 nan 0.000 0.428 470 S N 4.014 119.542 115.700 -0.287 0.000 2.532 470 S HA 0.552 5.023 4.470 0.002 0.000 0.318 470 S C -0.881 173.661 174.600 -0.096 0.000 1.083 470 S CA -0.596 57.533 58.200 -0.118 0.000 1.131 470 S CB 0.347 63.503 63.200 -0.073 0.000 0.973 470 S HN 0.405 nan 8.310 nan 0.000 0.468 471 V N 5.628 125.528 119.914 -0.023 0.000 2.364 471 V HA 0.551 4.672 4.120 0.002 0.000 0.272 471 V C 1.247 177.341 176.094 0.001 0.000 1.036 471 V CA -0.285 61.999 62.300 -0.026 0.000 0.880 471 V CB 0.878 32.693 31.823 -0.012 0.000 0.991 471 V HN 0.878 nan 8.190 nan 0.000 0.460 472 G N 3.731 112.520 108.800 -0.017 0.000 2.666 472 G HA2 0.405 4.366 3.960 0.002 0.000 0.207 472 G HA3 0.405 4.366 3.960 0.002 0.000 0.207 472 G C 0.291 175.183 174.900 -0.012 0.000 1.481 472 G CA 0.050 45.144 45.100 -0.010 0.000 1.071 472 G HN 0.815 nan 8.290 nan 0.000 0.572 473 S N -1.670 114.023 115.700 -0.011 0.000 2.584 473 S HA 0.462 4.933 4.470 0.002 0.000 0.273 473 S C 1.107 175.699 174.600 -0.014 0.000 1.311 473 S CA 0.547 58.739 58.200 -0.013 0.000 1.034 473 S CB 1.060 64.255 63.200 -0.008 0.000 0.939 473 S HN 2.349 nan 8.310 nan 0.000 0.513 474 G N 1.253 110.043 108.800 -0.018 0.000 2.148 474 G HA2 0.111 4.072 3.960 0.002 0.000 0.254 474 G HA3 0.111 4.072 3.960 0.002 0.000 0.254 474 G C 1.156 176.044 174.900 -0.020 0.000 0.981 474 G CA 0.450 45.541 45.100 -0.015 0.000 0.670 474 G HN 2.422 nan 8.290 nan 0.000 0.528 475 G N -1.284 107.495 108.800 -0.035 0.000 2.179 475 G HA2 0.172 4.133 3.960 0.002 0.000 0.260 475 G HA3 0.172 4.133 3.960 0.002 0.000 0.260 475 G C 0.816 175.690 174.900 -0.043 0.000 0.977 475 G CA 1.176 46.244 45.100 -0.052 0.000 0.641 475 G HN 2.333 nan 8.290 nan 0.000 0.533 476 A N 0.198 123.003 122.820 -0.023 0.000 2.484 476 A HA 0.728 5.049 4.320 0.002 0.000 0.268 476 A C 0.839 178.406 177.584 -0.027 0.000 1.114 476 A CA 1.059 53.090 52.037 -0.010 0.000 0.780 476 A CB 0.319 19.321 19.000 0.003 0.000 1.061 476 A HN 2.050 nan 8.150 nan 0.000 0.505 477 A N 3.749 126.551 122.820 -0.030 0.000 2.276 477 A HA 0.581 4.902 4.320 0.002 0.000 0.300 477 A C 0.748 178.332 177.584 0.001 0.000 1.235 477 A CA -0.402 51.600 52.037 -0.059 0.000 0.867 477 A CB 0.004 18.933 19.000 -0.119 0.000 1.137 477 A HN 0.975 nan 8.150 nan 0.000 0.527 478 S N 2.323 118.019 115.700 -0.006 0.000 2.558 478 S HA -0.017 4.454 4.470 0.002 0.000 0.287 478 S C 0.441 175.090 174.600 0.083 0.000 1.321 478 S CA -0.068 58.147 58.200 0.025 0.000 1.048 478 S CB -0.080 63.126 63.200 0.010 0.000 0.844 478 S HN 0.799 nan 8.310 nan 0.000 0.512 479 N N 1.515 120.243 118.700 0.047 0.000 2.412 479 N HA 0.372 5.113 4.740 0.002 0.000 0.254 479 N C -0.461 175.097 175.510 0.081 0.000 1.232 479 N CA 0.247 53.300 53.050 0.005 0.000 0.880 479 N CB 0.093 38.563 38.487 -0.028 0.000 1.076 479 N HN 0.590 nan 8.380 nan 0.000 0.458 480 F N -1.827 118.058 119.950 -0.108 0.000 2.662 480 F HA 0.533 5.061 4.527 0.002 0.000 0.312 480 F C -0.933 174.812 175.800 -0.092 0.000 1.113 480 F CA -1.106 56.841 58.000 -0.088 0.000 0.951 480 F CB 0.999 39.942 39.000 -0.094 0.000 1.344 480 F HN 0.069 nan 8.300 nan 0.000 0.462 481 T N 3.009 117.618 114.554 0.091 0.000 2.795 481 T HA 0.506 4.857 4.350 0.002 0.000 0.282 481 T C -1.068 173.731 174.700 0.165 0.000 0.980 481 T CA -0.297 61.793 62.100 -0.017 0.000 1.012 481 T CB 1.268 70.151 68.868 0.026 0.000 0.936 481 T HN 0.674 nan 8.240 nan 0.000 0.457 482 L N 4.405 125.633 121.223 0.009 0.000 2.272 482 L HA 0.640 4.981 4.340 0.002 0.000 0.284 482 L C 0.588 177.506 176.870 0.081 0.000 1.045 482 L CA -0.375 54.550 54.840 0.142 0.000 0.842 482 L CB -0.361 41.743 42.059 0.076 0.000 1.224 482 L HN 0.807 nan 8.230 nan 0.000 0.430 483 A N 4.130 127.012 122.820 0.103 0.000 2.614 483 A HA 0.410 4.731 4.320 0.002 0.000 0.231 483 A C 0.762 178.383 177.584 0.061 0.000 1.076 483 A CA 0.410 52.489 52.037 0.070 0.000 0.767 483 A CB -0.165 18.878 19.000 0.070 0.000 1.012 483 A HN 1.100 nan 8.150 nan 0.000 0.512 484 A N 0.665 123.514 122.820 0.049 0.000 2.498 484 A HA 0.484 4.805 4.320 0.002 0.000 0.239 484 A C 1.725 179.345 177.584 0.060 0.000 1.068 484 A CA 0.703 52.769 52.037 0.049 0.000 0.766 484 A CB -0.850 18.175 19.000 0.041 0.000 1.003 484 A HN 2.797 nan 8.150 nan 0.000 0.497 485 G N 1.619 110.461 108.800 0.071 0.000 2.269 485 G HA2 -0.039 3.922 3.960 0.002 0.000 0.277 485 G HA3 -0.039 3.922 3.960 0.002 0.000 0.277 485 G C 0.801 175.752 174.900 0.084 0.000 1.008 485 G CA 0.909 46.062 45.100 0.089 0.000 0.774 485 G HN 1.902 nan 8.290 nan 0.000 0.511 486 G N -0.800 108.048 108.800 0.079 0.000 2.406 486 G HA2 0.562 4.523 3.960 0.002 0.000 0.251 486 G HA3 0.562 4.523 3.960 0.002 0.000 0.251 486 G C -0.094 174.843 174.900 0.062 0.000 1.271 486 G CA 0.702 45.844 45.100 0.070 0.000 0.859 486 G HN 0.721 nan 8.290 nan 0.000 0.540 487 T N 0.554 115.117 114.554 0.015 0.000 3.031 487 T HA 0.632 4.983 4.350 0.002 0.000 0.305 487 T C -0.092 174.514 174.700 -0.156 0.000 0.985 487 T CA -0.129 61.949 62.100 -0.038 0.000 1.008 487 T CB 1.553 70.413 68.868 -0.014 0.000 1.005 487 T HN 0.974 nan 8.240 nan 0.000 0.444 488 A N 2.443 125.065 122.820 -0.329 0.000 2.386 488 A HA 0.980 5.301 4.320 0.002 0.000 0.308 488 A C -1.023 176.006 177.584 -0.925 0.000 1.128 488 A CA -0.824 50.822 52.037 -0.653 0.000 0.789 488 A CB 1.600 20.088 19.000 -0.853 0.000 1.325 488 A HN 0.667 nan 8.150 nan 0.000 0.437 489 V N 1.632 120.947 119.914 -0.999 0.000 2.577 489 V HA 0.384 4.505 4.120 0.002 0.000 0.294 489 V C -1.380 174.324 176.094 -0.649 0.000 1.052 489 V CA -0.508 61.344 62.300 -0.748 0.000 0.891 489 V CB 1.220 32.825 31.823 -0.364 0.000 1.017 489 V HN 0.833 nan 8.190 nan 0.000 0.436 490 W N 4.075 125.330 121.300 -0.076 0.000 2.627 490 W HA 0.776 5.437 4.660 0.002 0.000 0.339 490 W C -0.103 176.395 176.519 -0.035 0.000 1.058 490 W CA -0.619 56.703 57.345 -0.039 0.000 1.223 490 W CB 2.008 31.394 29.460 -0.123 0.000 1.389 490 W HN 0.706 nan 8.180 nan 0.000 0.541 491 Q N 1.267 121.237 119.800 0.283 0.000 2.462 491 Q HA 0.653 4.994 4.340 0.002 0.000 0.285 491 Q C -2.305 173.917 176.000 0.372 0.000 1.035 491 Q CA -1.081 54.850 55.803 0.215 0.000 0.799 491 Q CB 3.392 32.200 28.738 0.118 0.000 1.452 491 Q HN 0.462 nan 8.270 nan 0.000 0.404 492 Y N 0.825 121.217 120.300 0.153 0.000 2.396 492 Y HA 0.588 5.139 4.550 0.002 0.000 0.332 492 Y C -1.642 174.325 175.900 0.112 0.000 1.034 492 Y CA -0.220 57.995 58.100 0.192 0.000 1.057 492 Y CB 2.429 41.005 38.460 0.193 0.000 1.220 492 Y HN 0.926 nan 8.280 nan 0.000 0.440 493 T N 2.593 116.780 114.554 -0.612 0.000 2.893 493 T HA 0.985 5.336 4.350 0.002 0.000 0.293 493 T C -0.894 173.425 174.700 -0.635 0.000 1.027 493 T CA -0.387 61.444 62.100 -0.448 0.000 0.988 493 T CB 1.708 70.460 68.868 -0.193 0.000 1.043 493 T HN 1.219 nan 8.240 nan 0.000 0.461 494 A N 1.398 124.012 122.820 -0.343 0.000 2.601 494 A HA 0.902 5.223 4.320 0.002 0.000 0.291 494 A C -0.227 177.318 177.584 -0.064 0.000 1.075 494 A CA -0.719 51.197 52.037 -0.202 0.000 0.671 494 A CB 0.633 19.551 19.000 -0.137 0.000 1.277 494 A HN 1.791 nan 8.150 nan 0.000 0.417 495 A N 0.465 123.266 122.820 -0.032 0.000 2.540 495 A HA 0.529 4.850 4.320 0.002 0.000 0.239 495 A C 0.393 177.978 177.584 0.002 0.000 1.061 495 A CA 0.797 52.826 52.037 -0.013 0.000 0.758 495 A CB -0.454 18.544 19.000 -0.003 0.000 0.991 495 A HN 1.000 nan 8.150 nan 0.000 0.502 496 T N 2.943 117.490 114.554 -0.011 0.000 2.753 496 T HA 0.437 4.788 4.350 0.002 0.000 0.297 496 T C 1.387 176.080 174.700 -0.011 0.000 0.981 496 T CA 0.254 62.342 62.100 -0.021 0.000 0.956 496 T CB 1.324 70.152 68.868 -0.066 0.000 0.936 496 T HN 0.863 nan 8.240 nan 0.000 0.463 497 A N 3.380 126.204 122.820 0.006 0.000 1.873 497 A HA 0.041 4.362 4.320 0.002 0.000 0.215 497 A C 1.644 179.247 177.584 0.032 0.000 1.186 497 A CA 1.076 53.126 52.037 0.023 0.000 0.616 497 A CB -0.450 18.566 19.000 0.026 0.000 0.823 497 A HN 0.658 nan 8.150 nan 0.000 0.442 498 T N 0.140 114.704 114.554 0.016 0.000 2.889 498 T HA 0.478 4.830 4.350 0.002 0.000 0.291 498 T C -3.009 171.715 174.700 0.039 0.000 0.995 498 T CA -2.275 59.844 62.100 0.032 0.000 1.092 498 T CB 0.915 69.792 68.868 0.016 0.000 0.954 498 T HN -0.013 nan 8.240 nan 0.000 0.506 499 P HA 0.241 nan 4.420 nan 0.000 0.266 499 P C -0.943 176.447 177.300 0.150 0.000 1.215 499 P CA 0.025 63.256 63.100 0.219 0.000 0.763 499 P CB 0.276 32.145 31.700 0.282 0.000 0.806 500 T N 4.694 119.309 114.554 0.102 0.000 2.881 500 T HA 0.474 4.825 4.350 0.002 0.000 0.291 500 T C 0.247 175.069 174.700 0.205 0.000 0.990 500 T CA -0.407 61.685 62.100 -0.013 0.000 0.976 500 T CB 0.625 69.219 68.868 -0.456 0.000 0.970 500 T HN 0.149 nan 8.240 nan 0.000 0.438 501 I N 2.539 123.290 120.570 0.301 0.000 2.371 501 I HA 0.395 4.566 4.170 0.002 0.000 0.290 501 I C 1.345 177.691 176.117 0.381 0.000 1.028 501 I CA -0.016 61.489 61.300 0.342 0.000 1.345 501 I CB 1.262 39.392 38.000 0.218 0.000 1.407 501 I HN 0.899 nan 8.210 nan 0.000 0.501 502 G N 4.882 113.727 108.800 0.075 0.000 2.724 502 G HA2 0.042 4.003 3.960 0.002 0.000 0.205 502 G HA3 0.042 4.003 3.960 0.002 0.000 0.205 502 G C 0.346 175.077 174.900 -0.283 0.000 1.112 502 G CA 0.304 45.187 45.100 -0.362 0.000 0.793 502 G HN 0.594 nan 8.290 nan 0.000 0.526 503 H N -1.167 117.578 119.070 -0.542 0.000 3.017 503 H HA 0.602 5.160 4.556 0.002 0.000 0.346 503 H C -2.088 172.877 175.328 -0.604 0.000 1.286 503 H CA -0.347 55.438 56.048 -0.438 0.000 1.120 503 H CB 2.333 32.005 29.762 -0.149 0.000 1.860 503 H HN -0.080 nan 8.280 nan 0.000 0.542 504 V N 1.492 120.784 119.914 -1.036 0.000 2.817 504 V HA 0.612 4.733 4.120 0.002 0.000 0.303 504 V C -0.213 175.721 176.094 -0.266 0.000 1.151 504 V CA -0.181 61.801 62.300 -0.530 0.000 0.929 504 V CB 1.794 33.218 31.823 -0.665 0.000 1.030 504 V HN 0.976 nan 8.190 nan 0.000 0.427 505 G N 4.679 113.535 108.800 0.093 0.000 2.732 505 G HA2 0.747 4.708 3.960 0.002 0.000 0.296 505 G HA3 0.747 4.708 3.960 0.002 0.000 0.296 505 G C -3.424 171.597 174.900 0.202 0.000 1.448 505 G CA -1.032 44.191 45.100 0.205 0.000 0.911 505 G HN 0.479 nan 8.290 nan 0.000 0.528 506 P HA 0.266 nan 4.420 nan 0.000 0.286 506 P C 0.351 177.669 177.300 0.029 0.000 1.293 506 P CA -0.291 62.877 63.100 0.112 0.000 0.770 506 P CB 1.012 32.749 31.700 0.061 0.000 1.206 507 M N -1.358 118.161 119.600 -0.135 0.000 2.313 507 M HA 0.291 4.772 4.480 0.002 0.000 0.273 507 M C 0.456 176.294 176.300 -0.770 0.000 1.049 507 M CA 0.417 55.478 55.300 -0.399 0.000 1.004 507 M CB -0.152 32.365 32.600 -0.137 0.000 1.461 507 M HN 0.411 nan 8.290 nan 0.000 0.514 508 M N 1.109 120.407 119.600 -0.503 0.000 2.206 508 M HA 0.629 5.110 4.480 0.002 0.000 0.272 508 M C -2.084 174.110 176.300 -0.176 0.000 1.012 508 M CA -0.161 54.910 55.300 -0.381 0.000 0.986 508 M CB 1.974 34.450 32.600 -0.208 0.000 1.740 508 M HN 0.051 nan 8.290 nan 0.000 0.472 509 A N 3.833 126.606 122.820 -0.077 0.000 2.540 509 A HA 0.637 4.958 4.320 0.002 0.000 0.291 509 A C -1.873 175.775 177.584 0.106 0.000 1.083 509 A CA -0.980 51.084 52.037 0.046 0.000 0.650 509 A CB 1.540 20.598 19.000 0.096 0.000 1.292 509 A HN 0.858 nan 8.150 nan 0.000 0.435 510 K N 0.129 120.570 120.400 0.069 0.000 2.098 510 K HA 0.680 5.001 4.320 0.002 0.000 0.257 510 K C -2.732 173.885 176.600 0.028 0.000 0.999 510 K CA -1.617 54.699 56.287 0.049 0.000 0.924 510 K CB 0.594 33.108 32.500 0.024 0.000 1.028 510 K HN 0.280 nan 8.250 nan 0.000 0.466 511 P HA 0.004 nan 4.420 nan 0.000 0.267 511 P C 0.558 177.818 177.300 -0.067 0.000 1.200 511 P CA 0.836 63.884 63.100 -0.086 0.000 0.772 511 P CB 0.615 32.248 31.700 -0.112 0.000 0.855 512 G N 0.181 108.925 108.800 -0.092 0.000 2.234 512 G HA2 -0.205 3.756 3.960 0.002 0.000 0.235 512 G HA3 -0.205 3.756 3.960 0.002 0.000 0.235 512 G C 0.033 174.909 174.900 -0.041 0.000 0.997 512 G CA -0.082 44.978 45.100 -0.066 0.000 0.623 512 G HN 0.544 nan 8.290 nan 0.000 0.514 513 V N 1.972 121.876 119.914 -0.017 0.000 2.732 513 V HA 0.519 4.640 4.120 0.002 0.000 0.297 513 V C 0.848 176.959 176.094 0.028 0.000 1.060 513 V CA 0.506 62.815 62.300 0.015 0.000 1.038 513 V CB 1.572 33.426 31.823 0.052 0.000 1.003 513 V HN 0.285 nan 8.190 nan 0.000 0.481 514 T N 6.359 120.932 114.554 0.032 0.000 2.727 514 T HA 0.469 4.820 4.350 0.002 0.000 0.298 514 T C -0.000 174.752 174.700 0.087 0.000 0.942 514 T CA -0.019 62.108 62.100 0.044 0.000 0.997 514 T CB 0.065 68.944 68.868 0.019 0.000 0.917 514 T HN 0.597 nan 8.240 nan 0.000 0.487 515 I N 0.912 121.557 120.570 0.126 0.000 2.664 515 I HA 0.673 4.844 4.170 0.002 0.000 0.308 515 I C -0.387 175.789 176.117 0.098 0.000 0.984 515 I CA -0.638 60.761 61.300 0.165 0.000 1.213 515 I CB 1.596 39.760 38.000 0.272 0.000 1.379 515 I HN 0.310 nan 8.210 nan 0.000 0.501 516 T N 6.375 120.987 114.554 0.096 0.000 2.779 516 T HA 0.590 4.941 4.350 0.002 0.000 0.280 516 T C -0.148 174.565 174.700 0.022 0.000 0.987 516 T CA -0.232 61.901 62.100 0.054 0.000 0.966 516 T CB 1.142 70.052 68.868 0.070 0.000 0.933 516 T HN 0.419 nan 8.240 nan 0.000 0.442 517 I N 3.575 124.122 120.570 -0.039 0.000 2.390 517 I HA 0.329 4.500 4.170 0.002 0.000 0.283 517 I C -0.457 175.685 176.117 0.043 0.000 1.016 517 I CA -0.775 60.469 61.300 -0.092 0.000 1.151 517 I CB 1.192 39.044 38.000 -0.247 0.000 1.293 517 I HN 0.492 nan 8.210 nan 0.000 0.458 518 D N 4.475 124.892 120.400 0.028 0.000 2.272 518 D HA 0.810 5.451 4.640 0.002 0.000 0.247 518 D C 0.371 176.577 176.300 -0.156 0.000 0.990 518 D CA -0.027 53.962 54.000 -0.018 0.000 0.931 518 D CB 2.497 43.230 40.800 -0.112 0.000 1.195 518 D HN 0.736 nan 8.370 nan 0.000 0.477 519 G N 0.034 108.598 108.800 -0.394 0.000 2.513 519 G HA2 0.215 4.176 3.960 0.002 0.000 0.182 519 G HA3 0.215 4.176 3.960 0.002 0.000 0.182 519 G C -1.378 173.192 174.900 -0.551 0.000 1.190 519 G CA -0.704 44.147 45.100 -0.415 0.000 0.987 519 G HN 0.349 nan 8.290 nan 0.000 0.479 520 R N -0.840 119.319 120.500 -0.568 0.000 2.707 520 R HA 0.596 4.937 4.340 0.002 0.000 0.272 520 R C 0.506 176.535 176.300 -0.452 0.000 1.011 520 R CA -0.017 55.807 56.100 -0.460 0.000 0.893 520 R CB 1.439 31.693 30.300 -0.077 0.000 1.233 520 R HN 2.333 nan 8.270 nan 0.000 0.464 521 G N 0.846 109.487 108.800 -0.264 0.000 2.141 521 G HA2 -0.268 3.693 3.960 0.002 0.000 0.242 521 G HA3 -0.268 3.693 3.960 0.002 0.000 0.242 521 G C 0.367 175.361 174.900 0.156 0.000 0.982 521 G CA 0.151 45.225 45.100 -0.045 0.000 0.662 521 G HN 0.447 nan 8.290 nan 0.000 0.527 522 F N 1.103 121.048 119.950 -0.008 0.000 2.293 522 F HA 0.353 4.881 4.527 0.001 0.000 0.300 522 F C 2.069 178.063 175.800 0.324 0.000 1.086 522 F CA 1.393 59.395 58.000 0.003 0.000 1.375 522 F CB -0.923 37.798 39.000 -0.465 0.000 1.045 522 F HN 1.283 nan 8.300 nan 0.000 0.516 523 G N -0.389 108.646 108.800 0.391 0.000 2.712 523 G HA2 -0.150 3.811 3.960 0.002 0.000 0.686 523 G HA3 -0.150 3.811 3.960 0.002 0.000 0.686 523 G C 0.722 175.893 174.900 0.452 0.000 1.321 523 G CA -0.044 45.274 45.100 0.363 0.000 0.813 523 G HN 0.402 nan 8.290 nan 0.000 0.599 524 S N -0.802 115.063 115.700 0.275 0.000 2.387 524 S HA 0.228 4.699 4.470 0.002 0.000 0.226 524 S C 1.392 176.133 174.600 0.236 0.000 1.026 524 S CA 1.518 59.866 58.200 0.246 0.000 0.972 524 S CB 0.112 63.391 63.200 0.131 0.000 0.814 524 S HN 1.334 nan 8.310 nan 0.000 0.477 525 S N 2.213 117.982 115.700 0.115 0.000 2.499 525 S HA 0.300 4.771 4.470 0.002 0.000 0.275 525 S C -0.035 174.317 174.600 -0.413 0.000 1.257 525 S CA -0.562 57.595 58.200 -0.070 0.000 1.050 525 S CB 0.644 63.802 63.200 -0.071 0.000 0.937 525 S HN 0.461 nan 8.310 nan 0.000 0.490 526 K N 2.221 122.258 120.400 -0.605 0.000 2.559 526 K HA 0.138 4.459 4.320 0.002 0.000 0.279 526 K C 0.778 176.588 176.600 -1.317 0.000 0.967 526 K CA 0.329 55.851 56.287 -1.275 0.000 1.000 526 K CB 0.105 32.270 32.500 -0.559 0.000 0.890 526 K HN 0.733 nan 8.250 nan 0.000 0.501 527 G N 1.610 109.134 108.800 -2.128 0.000 3.286 527 G HA2 0.369 4.330 3.960 0.002 0.000 0.166 527 G HA3 0.369 4.330 3.960 0.002 0.000 0.166 527 G C -1.026 173.488 174.900 -0.643 0.000 1.155 527 G CA -0.344 44.082 45.100 -1.122 0.000 0.871 527 G HN 0.584 nan 8.290 nan 0.000 0.637 528 T N -0.499 113.887 114.554 -0.281 0.000 2.907 528 T HA 0.623 4.974 4.350 0.002 0.000 0.292 528 T C -1.137 173.514 174.700 -0.083 0.000 1.043 528 T CA -0.296 61.679 62.100 -0.207 0.000 1.003 528 T CB 2.154 70.853 68.868 -0.282 0.000 1.084 528 T HN 0.373 nan 8.240 nan 0.000 0.483 529 V N 2.221 121.994 119.914 -0.234 0.000 2.638 529 V HA 0.476 4.597 4.120 0.002 0.000 0.306 529 V C -1.590 174.355 176.094 -0.249 0.000 1.052 529 V CA -0.997 61.238 62.300 -0.109 0.000 0.885 529 V CB 1.339 33.196 31.823 0.056 0.000 0.999 529 V HN 0.832 nan 8.190 nan 0.000 0.424 530 Y N 3.609 123.917 120.300 0.014 0.000 2.335 530 Y HA 0.611 5.162 4.550 0.002 0.000 0.338 530 Y C -0.295 175.570 175.900 -0.058 0.000 0.977 530 Y CA -0.987 57.144 58.100 0.052 0.000 1.114 530 Y CB 1.448 39.928 38.460 0.033 0.000 1.182 530 Y HN 0.546 nan 8.280 nan 0.000 0.463 531 F N 2.801 122.801 119.950 0.084 0.000 2.434 531 F HA 0.525 5.053 4.527 0.002 0.000 0.316 531 F C 0.962 176.933 175.800 0.285 0.000 1.222 531 F CA -0.218 57.803 58.000 0.034 0.000 1.207 531 F CB 0.420 39.279 39.000 -0.235 0.000 1.466 531 F HN 0.830 nan 8.300 nan 0.000 0.545 532 G N 1.234 110.256 108.800 0.370 0.000 2.669 532 G HA2 -0.360 3.601 3.960 0.002 0.000 0.250 532 G HA3 -0.360 3.601 3.960 0.002 0.000 0.250 532 G C 1.129 176.179 174.900 0.250 0.000 1.247 532 G CA 0.212 45.499 45.100 0.311 0.000 0.958 532 G HN 0.499 nan 8.290 nan 0.000 0.559 533 T N -1.346 113.349 114.554 0.236 0.000 3.057 533 T HA 0.359 4.710 4.350 0.002 0.000 0.254 533 T C 1.180 176.029 174.700 0.249 0.000 1.094 533 T CA 1.688 63.906 62.100 0.197 0.000 1.088 533 T CB -0.014 68.934 68.868 0.133 0.000 0.934 533 T HN 0.802 nan 8.240 nan 0.000 0.497 534 T N 3.286 117.994 114.554 0.257 0.000 2.799 534 T HA 0.587 4.938 4.350 0.002 0.000 0.296 534 T C 0.154 174.954 174.700 0.166 0.000 0.947 534 T CA -0.346 61.862 62.100 0.181 0.000 1.141 534 T CB 0.612 69.552 68.868 0.120 0.000 0.891 534 T HN 0.540 nan 8.240 nan 0.000 0.533 535 A N 3.712 126.563 122.820 0.053 0.000 2.301 535 A HA 0.694 5.015 4.320 0.002 0.000 0.312 535 A C -0.391 177.095 177.584 -0.163 0.000 1.182 535 A CA -0.593 51.340 52.037 -0.173 0.000 0.826 535 A CB 0.747 19.645 19.000 -0.169 0.000 1.134 535 A HN 0.670 nan 8.150 nan 0.000 0.501 536 V N 2.452 122.236 119.914 -0.216 0.000 2.531 536 V HA 0.724 4.845 4.120 0.002 0.000 0.301 536 V C -0.010 175.992 176.094 -0.152 0.000 1.034 536 V CA 0.102 62.318 62.300 -0.141 0.000 0.865 536 V CB 1.572 33.346 31.823 -0.081 0.000 0.995 536 V HN 1.308 nan 8.190 nan 0.000 0.424 537 S N 2.658 118.281 115.700 -0.129 0.000 2.656 537 S HA 0.959 5.430 4.470 0.002 0.000 0.273 537 S C 0.159 174.697 174.600 -0.103 0.000 1.168 537 S CA 0.118 58.239 58.200 -0.132 0.000 0.817 537 S CB 1.591 64.691 63.200 -0.167 0.000 1.146 537 S HN 2.166 nan 8.310 nan 0.000 0.475 538 G N 1.465 110.198 108.800 -0.111 0.000 2.550 538 G HA2 0.032 3.993 3.960 0.002 0.000 0.277 538 G HA3 0.032 3.993 3.960 0.002 0.000 0.277 538 G C 1.142 176.008 174.900 -0.057 0.000 1.190 538 G CA 1.279 46.327 45.100 -0.086 0.000 0.971 538 G HN 2.002 nan 8.290 nan 0.000 0.559 539 A N -0.825 121.965 122.820 -0.050 0.000 1.881 539 A HA -0.180 4.141 4.320 0.002 0.000 0.219 539 A C 2.005 179.569 177.584 -0.033 0.000 1.215 539 A CA 3.036 55.051 52.037 -0.037 0.000 0.648 539 A CB -0.921 18.056 19.000 -0.039 0.000 0.832 539 A HN 0.827 nan 8.150 nan 0.000 0.455 540 D N -0.572 119.801 120.400 -0.046 0.000 2.354 540 D HA -0.040 4.601 4.640 0.002 0.000 0.216 540 D C 0.432 176.719 176.300 -0.021 0.000 0.970 540 D CA 0.621 54.592 54.000 -0.049 0.000 0.905 540 D CB -0.254 40.497 40.800 -0.082 0.000 0.903 540 D HN 0.493 nan 8.370 nan 0.000 0.508 541 I N 1.347 121.916 120.570 -0.002 0.000 2.268 541 I HA -0.001 4.170 4.170 0.002 0.000 0.290 541 I C 1.365 177.516 176.117 0.055 0.000 1.125 541 I CA -0.209 61.121 61.300 0.051 0.000 1.236 541 I CB 0.869 38.918 38.000 0.081 0.000 1.469 541 I HN -0.180 nan 8.210 nan 0.000 0.512 542 T N 2.449 117.029 114.554 0.043 0.000 2.607 542 T HA -0.136 4.215 4.350 0.002 0.000 0.267 542 T C 0.847 175.584 174.700 0.062 0.000 1.049 542 T CA 1.483 63.605 62.100 0.036 0.000 1.162 542 T CB -0.136 68.746 68.868 0.023 0.000 0.863 542 T HN 0.646 nan 8.240 nan 0.000 0.424 543 S N -0.446 115.308 115.700 0.090 0.000 2.570 543 S HA 0.619 5.090 4.470 0.002 0.000 0.286 543 S C -1.840 172.891 174.600 0.218 0.000 1.099 543 S CA -1.081 57.191 58.200 0.122 0.000 0.913 543 S CB 2.713 65.957 63.200 0.072 0.000 1.085 543 S HN 0.526 nan 8.310 nan 0.000 0.480 544 W N 2.870 124.178 121.300 0.013 0.000 3.615 544 W HA 0.431 5.092 4.660 0.002 0.000 0.319 544 W C -1.367 175.185 176.519 0.055 0.000 1.172 544 W CA -0.509 56.854 57.345 0.030 0.000 1.240 544 W CB 1.480 30.942 29.460 0.003 0.000 1.313 544 W HN 1.133 nan 8.180 nan 0.000 0.487 545 E N 2.061 122.309 120.200 0.080 0.000 2.350 545 E HA 0.202 4.553 4.350 0.002 0.000 0.243 545 E C -0.055 176.565 176.600 0.033 0.000 0.959 545 E CA -0.605 55.886 56.400 0.151 0.000 0.883 545 E CB 1.147 30.899 29.700 0.088 0.000 1.820 545 E HN 0.203 nan 8.360 nan 0.000 0.441 546 D N 0.074 120.502 120.400 0.047 0.000 2.117 546 D HA -0.117 4.524 4.640 0.002 0.000 0.198 546 D C 1.682 177.826 176.300 -0.260 0.000 0.982 546 D CA 2.429 56.414 54.000 -0.025 0.000 0.828 546 D CB 0.284 41.073 40.800 -0.019 0.000 0.967 546 D HN 0.562 nan 8.370 nan 0.000 0.464 547 T N -2.752 111.676 114.554 -0.209 0.000 3.014 547 T HA 0.119 4.471 4.350 0.002 0.000 0.250 547 T C 0.827 175.428 174.700 -0.166 0.000 1.060 547 T CA -0.278 61.633 62.100 -0.314 0.000 1.040 547 T CB 0.924 69.693 68.868 -0.165 0.000 0.971 547 T HN 0.016 nan 8.240 nan 0.000 0.497 548 Q N 0.039 119.828 119.800 -0.019 0.000 2.359 548 Q HA 0.705 5.046 4.340 0.002 0.000 0.274 548 Q C -2.022 173.957 176.000 -0.036 0.000 1.074 548 Q CA -1.001 54.820 55.803 0.030 0.000 0.810 548 Q CB 2.064 30.794 28.738 -0.013 0.000 1.342 548 Q HN 0.462 nan 8.270 nan 0.000 0.427 549 I N 2.929 123.442 120.570 -0.095 0.000 2.569 549 I HA 0.429 4.600 4.170 0.002 0.000 0.290 549 I C -0.897 175.175 176.117 -0.075 0.000 1.088 549 I CA -0.954 60.224 61.300 -0.203 0.000 1.047 549 I CB 1.986 39.644 38.000 -0.570 0.000 1.237 549 I HN 0.363 nan 8.210 nan 0.000 0.421 550 K N 5.507 125.908 120.400 0.001 0.000 2.244 550 K HA 0.742 5.063 4.320 0.002 0.000 0.260 550 K C -1.084 175.545 176.600 0.049 0.000 0.951 550 K CA -0.625 55.676 56.287 0.025 0.000 0.826 550 K CB 2.811 35.329 32.500 0.029 0.000 1.108 550 K HN 0.444 nan 8.250 nan 0.000 0.433 551 V N 1.583 121.527 119.914 0.050 0.000 3.012 551 V HA 0.411 4.532 4.120 0.002 0.000 0.307 551 V C -1.406 174.710 176.094 0.037 0.000 1.166 551 V CA -0.975 61.360 62.300 0.058 0.000 0.974 551 V CB 2.185 34.070 31.823 0.102 0.000 1.040 551 V HN 0.682 nan 8.190 nan 0.000 0.428 552 K N 5.426 125.812 120.400 -0.023 0.000 2.276 552 K HA 0.557 4.878 4.320 0.002 0.000 0.283 552 K C -0.302 176.165 176.600 -0.222 0.000 1.044 552 K CA -0.357 55.882 56.287 -0.080 0.000 0.944 552 K CB 1.238 33.686 32.500 -0.086 0.000 1.012 552 K HN 0.667 nan 8.250 nan 0.000 0.472 553 I N 5.485 125.905 120.570 -0.250 0.000 2.587 553 I HA 0.028 4.199 4.170 0.002 0.000 0.284 553 I C -1.956 173.821 176.117 -0.567 0.000 1.134 553 I CA -1.952 59.006 61.300 -0.571 0.000 1.410 553 I CB 0.074 37.921 38.000 -0.255 0.000 1.392 553 I HN 0.286 nan 8.210 nan 0.000 0.545 554 P HA 0.007 nan 4.420 nan 0.000 0.270 554 P C -0.371 176.717 177.300 -0.354 0.000 1.223 554 P CA -0.359 62.431 63.100 -0.516 0.000 0.785 554 P CB 0.594 31.954 31.700 -0.566 0.000 0.923 555 A N 2.130 124.819 122.820 -0.219 0.000 3.048 555 A HA 0.370 4.691 4.320 0.002 0.000 0.264 555 A C 0.399 177.914 177.584 -0.115 0.000 1.796 555 A CA -0.201 51.752 52.037 -0.140 0.000 1.445 555 A CB -1.468 17.477 19.000 -0.092 0.000 1.074 555 A HN 0.388 nan 8.150 nan 0.000 0.621 556 V N -1.813 118.008 119.914 -0.155 0.000 2.975 556 V HA 0.874 4.995 4.120 0.002 0.000 0.318 556 V C 0.706 176.805 176.094 0.009 0.000 1.077 556 V CA -0.907 61.343 62.300 -0.084 0.000 1.000 556 V CB 0.825 32.534 31.823 -0.189 0.000 1.066 556 V HN 0.874 nan 8.190 nan 0.000 0.452 557 A N 1.397 124.293 122.820 0.126 0.000 2.507 557 A HA 0.542 4.863 4.320 0.002 0.000 0.235 557 A C 1.016 178.742 177.584 0.236 0.000 1.070 557 A CA 0.446 52.580 52.037 0.162 0.000 0.768 557 A CB -0.610 18.492 19.000 0.170 0.000 1.011 557 A HN 2.001 nan 8.150 nan 0.000 0.502 558 G N -0.345 108.561 108.800 0.176 0.000 2.559 558 G HA2 0.579 4.540 3.960 0.002 0.000 0.235 558 G HA3 0.579 4.540 3.960 0.002 0.000 0.235 558 G C 0.550 175.617 174.900 0.277 0.000 1.266 558 G CA 0.636 45.855 45.100 0.197 0.000 0.847 558 G HN 2.218 nan 8.290 nan 0.000 0.583 559 G N 0.309 109.294 108.800 0.308 0.000 2.359 559 G HA2 0.092 4.053 3.960 0.002 0.000 0.303 559 G HA3 0.092 4.053 3.960 0.002 0.000 0.303 559 G C -0.980 174.124 174.900 0.340 0.000 1.293 559 G CA -0.768 44.479 45.100 0.244 0.000 0.964 559 G HN 0.822 nan 8.290 nan 0.000 0.531 560 N N -0.352 118.424 118.700 0.127 0.000 2.455 560 N HA 0.693 5.434 4.740 0.002 0.000 0.280 560 N C -1.148 174.373 175.510 0.019 0.000 1.055 560 N CA 0.071 53.221 53.050 0.167 0.000 0.961 560 N CB 0.612 39.143 38.487 0.073 0.000 1.121 560 N HN 0.450 nan 8.380 nan 0.000 0.476 561 Y N 0.541 120.978 120.300 0.230 0.000 2.536 561 Y HA 0.432 4.983 4.550 0.002 0.000 0.347 561 Y C -0.213 175.763 175.900 0.128 0.000 1.000 561 Y CA -1.065 57.141 58.100 0.176 0.000 1.051 561 Y CB 1.398 39.982 38.460 0.206 0.000 1.259 561 Y HN 0.404 nan 8.280 nan 0.000 0.468 562 N N 2.540 121.356 118.700 0.194 0.000 2.485 562 N HA 0.298 5.039 4.740 0.002 0.000 0.243 562 N C -0.751 174.787 175.510 0.047 0.000 0.987 562 N CA -0.297 52.819 53.050 0.109 0.000 0.940 562 N CB 0.455 38.979 38.487 0.062 0.000 1.122 562 N HN 0.407 nan 8.380 nan 0.000 0.509 563 I N 1.130 121.695 120.570 -0.008 0.000 2.696 563 I HA 0.255 4.426 4.170 0.002 0.000 0.284 563 I C 0.681 176.773 176.117 -0.042 0.000 1.129 563 I CA 0.118 61.314 61.300 -0.174 0.000 1.410 563 I CB 0.106 37.938 38.000 -0.280 0.000 1.399 563 I HN 0.453 nan 8.210 nan 0.000 0.579 564 K N 3.884 124.256 120.400 -0.048 0.000 2.639 564 K HA 0.598 4.919 4.320 0.002 0.000 0.279 564 K C -1.886 174.790 176.600 0.127 0.000 0.976 564 K CA -0.662 55.648 56.287 0.038 0.000 0.861 564 K CB 2.197 34.716 32.500 0.031 0.000 1.436 564 K HN 0.438 nan 8.250 nan 0.000 0.400 565 V N -1.136 118.845 119.914 0.112 0.000 3.160 565 V HA 1.009 5.130 4.120 0.002 0.000 0.310 565 V C -1.644 174.608 176.094 0.263 0.000 1.181 565 V CA -0.291 62.119 62.300 0.184 0.000 1.047 565 V CB 1.797 33.571 31.823 -0.082 0.000 1.068 565 V HN 1.020 nan 8.190 nan 0.000 0.441 566 A N 2.446 125.477 122.820 0.353 0.000 2.381 566 A HA 0.779 5.100 4.320 0.002 0.000 0.299 566 A C -0.325 177.418 177.584 0.265 0.000 1.049 566 A CA -0.514 51.696 52.037 0.287 0.000 0.715 566 A CB 1.024 20.212 19.000 0.314 0.000 1.222 566 A HN 1.582 nan 8.150 nan 0.000 0.428 567 N N 1.703 120.555 118.700 0.253 0.000 2.267 567 N HA 0.219 4.960 4.740 0.002 0.000 0.226 567 N C 1.154 176.686 175.510 0.036 0.000 1.314 567 N CA 0.315 53.504 53.050 0.232 0.000 0.887 567 N CB 0.413 39.036 38.487 0.226 0.000 1.120 567 N HN 0.792 nan 8.380 nan 0.000 0.440 568 A N -0.323 122.463 122.820 -0.057 0.000 2.139 568 A HA -0.027 4.294 4.320 0.002 0.000 0.221 568 A C 2.000 179.558 177.584 -0.043 0.000 1.159 568 A CA 1.869 53.832 52.037 -0.123 0.000 0.662 568 A CB -1.233 17.684 19.000 -0.139 0.000 0.796 568 A HN 0.906 nan 8.150 nan 0.000 0.463 569 A N -2.506 120.319 122.820 0.007 0.000 2.178 569 A HA 0.428 4.749 4.320 0.002 0.000 0.211 569 A C 1.877 179.478 177.584 0.028 0.000 1.157 569 A CA 1.230 53.277 52.037 0.018 0.000 0.780 569 A CB -0.451 18.569 19.000 0.032 0.000 0.828 569 A HN 1.756 nan 8.150 nan 0.000 0.476 570 G N -1.716 107.110 108.800 0.044 0.000 2.238 570 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 570 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 570 G C 0.437 175.381 174.900 0.073 0.000 0.996 570 G CA 0.139 45.276 45.100 0.061 0.000 0.632 570 G HN 0.608 nan 8.290 nan 0.000 0.503 571 T N 2.532 117.129 114.554 0.072 0.000 2.778 571 T HA 0.463 4.814 4.350 0.002 0.000 0.282 571 T C 0.802 175.558 174.700 0.093 0.000 0.983 571 T CA 0.807 62.950 62.100 0.071 0.000 1.193 571 T CB 1.026 69.939 68.868 0.075 0.000 0.938 571 T HN 1.335 nan 8.240 nan 0.000 0.523 572 A N 4.060 126.916 122.820 0.059 0.000 2.322 572 A HA 0.643 4.964 4.320 0.002 0.000 0.269 572 A C 0.818 178.436 177.584 0.057 0.000 1.094 572 A CA -0.717 51.351 52.037 0.051 0.000 0.807 572 A CB 0.460 19.443 19.000 -0.029 0.000 1.047 572 A HN 0.860 nan 8.150 nan 0.000 0.487 573 S N 1.800 117.543 115.700 0.072 0.000 2.758 573 S HA 0.428 4.899 4.470 0.002 0.000 0.292 573 S C 0.351 174.981 174.600 0.050 0.000 1.131 573 S CA -0.572 57.675 58.200 0.078 0.000 0.997 573 S CB 0.442 63.717 63.200 0.125 0.000 1.111 573 S HN 0.925 nan 8.310 nan 0.000 0.552 574 N N 0.006 118.741 118.700 0.058 0.000 2.229 574 N HA 0.125 4.866 4.740 0.002 0.000 0.242 574 N C -0.527 175.026 175.510 0.071 0.000 1.327 574 N CA -0.335 52.747 53.050 0.055 0.000 0.896 574 N CB -0.297 38.230 38.487 0.067 0.000 1.129 574 N HN 0.461 nan 8.380 nan 0.000 0.490 575 V N -0.319 119.636 119.914 0.068 0.000 2.581 575 V HA 0.199 4.320 4.120 0.002 0.000 0.303 575 V C -1.148 175.017 176.094 0.120 0.000 1.041 575 V CA -0.687 61.658 62.300 0.075 0.000 0.907 575 V CB 0.856 32.699 31.823 0.033 0.000 0.994 575 V HN 0.676 nan 8.190 nan 0.000 0.442 576 Y N 5.113 125.420 120.300 0.011 0.000 2.837 576 Y HA 0.290 4.841 4.550 0.002 0.000 0.356 576 Y C 0.733 176.653 175.900 0.033 0.000 1.035 576 Y CA -1.251 56.862 58.100 0.021 0.000 1.165 576 Y CB 0.233 38.697 38.460 0.006 0.000 1.147 576 Y HN 0.875 nan 8.280 nan 0.000 0.628 577 D N 0.935 121.329 120.400 -0.010 0.000 2.349 577 D HA -0.048 4.593 4.640 0.002 0.000 0.239 577 D C 0.204 176.539 176.300 0.057 0.000 1.315 577 D CA 0.272 54.293 54.000 0.036 0.000 0.937 577 D CB 0.609 41.403 40.800 -0.010 0.000 1.133 577 D HN 0.527 nan 8.370 nan 0.000 0.489 578 N N -2.053 116.702 118.700 0.092 0.000 2.818 578 N HA -0.220 4.521 4.740 0.002 0.000 0.250 578 N C -1.076 174.534 175.510 0.167 0.000 1.108 578 N CA 0.276 53.383 53.050 0.095 0.000 0.745 578 N CB -2.033 36.469 38.487 0.025 0.000 1.104 578 N HN 0.465 nan 8.380 nan 0.000 0.557 579 F N 1.194 121.222 119.950 0.131 0.000 2.384 579 F HA 0.426 4.954 4.527 0.002 0.000 0.338 579 F C 0.641 176.556 175.800 0.192 0.000 1.103 579 F CA -0.324 57.769 58.000 0.156 0.000 1.157 579 F CB 0.829 39.915 39.000 0.143 0.000 1.167 579 F HN 0.075 nan 8.300 nan 0.000 0.529 580 E N 5.100 125.136 120.200 -0.273 0.000 2.155 580 E HA 0.343 4.694 4.350 0.002 0.000 0.264 580 E C -1.583 175.102 176.600 0.142 0.000 0.886 580 E CA -0.752 55.671 56.400 0.038 0.000 0.752 580 E CB 1.716 31.383 29.700 -0.056 0.000 1.133 580 E HN 0.494 nan 8.360 nan 0.000 0.414 581 V N 6.540 126.709 119.914 0.425 0.000 2.334 581 V HA 0.196 4.317 4.120 0.002 0.000 0.267 581 V C 0.560 176.770 176.094 0.192 0.000 1.040 581 V CA -0.400 62.106 62.300 0.343 0.000 0.866 581 V CB 0.529 32.481 31.823 0.216 0.000 1.019 581 V HN 0.669 nan 8.190 nan 0.000 0.468 582 L N 3.363 124.658 121.223 0.120 0.000 2.476 582 L HA 0.147 4.488 4.340 0.002 0.000 0.264 582 L C 1.617 178.530 176.870 0.072 0.000 1.224 582 L CA 0.208 55.094 54.840 0.076 0.000 0.821 582 L CB 0.394 42.478 42.059 0.043 0.000 1.101 582 L HN 0.575 nan 8.230 nan 0.000 0.488 583 S N 0.031 115.766 115.700 0.059 0.000 2.607 583 S HA 0.238 4.709 4.470 0.002 0.000 0.224 583 S C 0.479 175.099 174.600 0.033 0.000 0.969 583 S CA 0.586 58.816 58.200 0.050 0.000 0.927 583 S CB -0.106 63.122 63.200 0.046 0.000 0.772 583 S HN 0.947 nan 8.310 nan 0.000 0.533 584 G N 0.677 109.494 108.800 0.030 0.000 2.302 584 G HA2 0.013 3.974 3.960 0.002 0.000 0.276 584 G HA3 0.013 3.974 3.960 0.002 0.000 0.276 584 G C -2.118 172.792 174.900 0.017 0.000 1.316 584 G CA -1.023 44.088 45.100 0.019 0.000 0.988 584 G HN 0.093 nan 8.290 nan 0.000 0.479 585 D N 1.395 121.802 120.400 0.012 0.000 2.472 585 D HA 0.352 4.993 4.640 0.002 0.000 0.237 585 D C 0.471 176.779 176.300 0.013 0.000 1.141 585 D CA 0.597 54.602 54.000 0.008 0.000 0.875 585 D CB 0.678 41.482 40.800 0.007 0.000 1.192 585 D HN 0.362 nan 8.370 nan 0.000 0.450 586 Q N 0.310 120.114 119.800 0.007 0.000 2.241 586 Q HA 0.682 5.023 4.340 0.002 0.000 0.262 586 Q C -0.310 175.707 176.000 0.029 0.000 1.014 586 Q CA -1.047 54.768 55.803 0.020 0.000 0.885 586 Q CB 2.298 31.040 28.738 0.006 0.000 1.311 586 Q HN 0.337 nan 8.270 nan 0.000 0.461 587 V N -2.671 117.282 119.914 0.064 0.000 2.891 587 V HA 0.486 4.607 4.120 0.002 0.000 0.304 587 V C -0.433 175.747 176.094 0.143 0.000 1.171 587 V CA -0.984 61.373 62.300 0.094 0.000 0.943 587 V CB 1.797 33.676 31.823 0.095 0.000 1.037 587 V HN 0.711 nan 8.190 nan 0.000 0.427 588 S N 2.721 118.534 115.700 0.189 0.000 2.430 588 S HA 0.587 5.058 4.470 0.002 0.000 0.282 588 S C -0.333 174.399 174.600 0.220 0.000 1.186 588 S CA -0.191 58.161 58.200 0.254 0.000 1.060 588 S CB 0.126 63.587 63.200 0.436 0.000 0.966 588 S HN 1.012 nan 8.310 nan 0.000 0.501 589 V N 6.915 126.955 119.914 0.210 0.000 2.448 589 V HA 0.481 4.602 4.120 0.002 0.000 0.295 589 V C 0.304 176.451 176.094 0.088 0.000 1.025 589 V CA -0.947 61.407 62.300 0.091 0.000 0.859 589 V CB 1.572 33.402 31.823 0.011 0.000 0.988 589 V HN 0.862 nan 8.190 nan 0.000 0.431 590 R N 4.166 124.664 120.500 -0.004 0.000 2.202 590 R HA 0.463 4.804 4.340 0.002 0.000 0.334 590 R C -1.458 174.787 176.300 -0.092 0.000 1.036 590 R CA -0.290 55.860 56.100 0.083 0.000 0.878 590 R CB 0.419 30.793 30.300 0.123 0.000 1.067 590 R HN 0.469 nan 8.270 nan 0.000 0.457 591 F N 3.930 123.877 119.950 -0.004 0.000 2.408 591 F HA 0.369 4.897 4.527 0.002 0.000 0.344 591 F C -0.144 175.680 175.800 0.040 0.000 1.112 591 F CA -0.586 57.395 58.000 -0.031 0.000 1.096 591 F CB 1.926 40.918 39.000 -0.014 0.000 1.129 591 F HN 0.126 nan 8.300 nan 0.000 0.486 592 V N 4.402 124.395 119.914 0.132 0.000 2.483 592 V HA 0.495 4.616 4.120 0.002 0.000 0.297 592 V C -0.905 175.175 176.094 -0.024 0.000 1.027 592 V CA -0.872 61.395 62.300 -0.055 0.000 0.855 592 V CB 1.850 33.470 31.823 -0.338 0.000 0.995 592 V HN 0.539 nan 8.190 nan 0.000 0.424 593 V N 5.761 125.556 119.914 -0.198 0.000 2.495 593 V HA 0.609 4.730 4.120 0.002 0.000 0.298 593 V C -0.391 175.648 176.094 -0.091 0.000 1.031 593 V CA -0.354 61.740 62.300 -0.342 0.000 0.871 593 V CB 1.840 32.899 31.823 -1.273 0.000 0.988 593 V HN 0.947 nan 8.190 nan 0.000 0.432 594 N N 4.207 122.912 118.700 0.009 0.000 2.459 594 N HA 0.359 5.100 4.740 0.002 0.000 0.288 594 N C -0.037 175.520 175.510 0.078 0.000 1.186 594 N CA -0.533 52.549 53.050 0.053 0.000 0.917 594 N CB 0.976 39.500 38.487 0.061 0.000 1.219 594 N HN 0.753 nan 8.380 nan 0.000 0.525 595 N N -0.092 118.622 118.700 0.024 0.000 2.705 595 N HA -0.208 4.533 4.740 0.002 0.000 0.255 595 N C -1.172 174.302 175.510 -0.060 0.000 1.008 595 N CA 0.423 53.465 53.050 -0.015 0.000 0.742 595 N CB -0.865 37.653 38.487 0.052 0.000 0.906 595 N HN 0.630 nan 8.380 nan 0.000 0.541 596 A N 0.317 123.050 122.820 -0.145 0.000 3.158 596 A HA 0.402 4.723 4.320 0.002 0.000 0.319 596 A C 0.833 178.218 177.584 -0.332 0.000 1.204 596 A CA -0.005 51.794 52.037 -0.397 0.000 0.992 596 A CB -0.163 18.545 19.000 -0.487 0.000 1.110 596 A HN 0.388 nan 8.150 nan 0.000 0.519 597 T N -0.043 114.319 114.554 -0.320 0.000 2.903 597 T HA 0.494 4.845 4.350 0.002 0.000 0.314 597 T C 0.462 175.196 174.700 0.057 0.000 1.078 597 T CA 0.585 62.622 62.100 -0.105 0.000 1.114 597 T CB 0.781 69.648 68.868 -0.002 0.000 0.987 597 T HN 1.174 nan 8.240 nan 0.000 0.548 598 T N -2.038 112.747 114.554 0.384 0.000 2.731 598 T HA 0.732 5.083 4.350 0.002 0.000 0.300 598 T C -0.855 173.937 174.700 0.153 0.000 1.283 598 T CA -0.715 61.498 62.100 0.187 0.000 1.005 598 T CB 1.217 70.205 68.868 0.200 0.000 1.420 598 T HN 1.222 nan 8.240 nan 0.000 0.503 599 A N 0.810 123.674 122.820 0.073 0.000 2.354 599 A HA 0.727 5.048 4.320 0.002 0.000 0.321 599 A C -0.301 177.301 177.584 0.031 0.000 1.125 599 A CA -0.933 51.126 52.037 0.037 0.000 0.799 599 A CB 0.575 19.590 19.000 0.024 0.000 1.293 599 A HN 0.827 nan 8.150 nan 0.000 0.452 600 L N 1.588 122.813 121.223 0.004 0.000 2.667 600 L HA 0.213 4.554 4.340 0.002 0.000 0.278 600 L C 1.593 178.478 176.870 0.026 0.000 1.217 600 L CA 2.528 57.371 54.840 0.005 0.000 0.935 600 L CB -0.725 41.327 42.059 -0.010 0.000 1.193 600 L HN 1.478 nan 8.230 nan 0.000 0.493 601 G N 2.970 111.798 108.800 0.046 0.000 2.279 601 G HA2 -0.254 3.707 3.960 0.002 0.000 0.223 601 G HA3 -0.254 3.707 3.960 0.002 0.000 0.223 601 G C 0.502 175.446 174.900 0.073 0.000 1.015 601 G CA 0.052 45.185 45.100 0.056 0.000 0.621 601 G HN 0.538 nan 8.290 nan 0.000 0.506 602 Q N 1.394 121.235 119.800 0.068 0.000 2.307 602 Q HA 0.435 4.776 4.340 0.002 0.000 0.259 602 Q C -0.613 175.431 176.000 0.073 0.000 0.998 602 Q CA -0.176 55.657 55.803 0.050 0.000 0.923 602 Q CB 0.162 28.909 28.738 0.016 0.000 1.196 602 Q HN 0.466 nan 8.270 nan 0.000 0.416 603 N N 2.384 121.122 118.700 0.064 0.000 2.284 603 N HA 0.288 5.029 4.740 0.002 0.000 0.300 603 N C -1.090 174.282 175.510 -0.230 0.000 1.047 603 N CA -0.411 52.618 53.050 -0.035 0.000 0.821 603 N CB 2.131 40.682 38.487 0.106 0.000 1.337 603 N HN 0.273 nan 8.380 nan 0.000 0.482 604 V N 2.715 122.097 119.914 -0.887 0.000 2.686 604 V HA 0.234 4.355 4.120 0.002 0.000 0.295 604 V C -0.614 175.236 176.094 -0.407 0.000 1.055 604 V CA 0.311 62.181 62.300 -0.716 0.000 1.050 604 V CB -0.117 30.898 31.823 -1.347 0.000 0.984 604 V HN 0.519 nan 8.190 nan 0.000 0.482 605 Y N 3.413 123.591 120.300 -0.204 0.000 2.665 605 Y HA 0.748 5.299 4.550 0.002 0.000 0.336 605 Y C -0.294 175.615 175.900 0.016 0.000 1.085 605 Y CA -1.190 56.827 58.100 -0.138 0.000 1.096 605 Y CB 1.790 40.153 38.460 -0.162 0.000 1.301 605 Y HN 0.509 nan 8.280 nan 0.000 0.493 606 L N 0.547 121.830 121.223 0.100 0.000 2.385 606 L HA 0.788 5.130 4.340 0.002 0.000 0.273 606 L C -0.693 176.093 176.870 -0.139 0.000 0.990 606 L CA 0.022 54.845 54.840 -0.028 0.000 0.821 606 L CB 2.045 43.997 42.059 -0.179 0.000 1.279 606 L HN 0.638 nan 8.230 nan 0.000 0.412 607 T N 2.816 117.272 114.554 -0.164 0.000 2.924 607 T HA 0.947 5.298 4.350 0.002 0.000 0.291 607 T C -0.498 173.967 174.700 -0.392 0.000 1.045 607 T CA -0.017 61.973 62.100 -0.183 0.000 1.015 607 T CB 1.461 70.321 68.868 -0.013 0.000 1.103 607 T HN 1.035 nan 8.240 nan 0.000 0.496 608 G N 0.285 108.652 108.800 -0.722 0.000 2.608 608 G HA2 0.428 4.389 3.960 0.002 0.000 0.291 608 G HA3 0.428 4.389 3.960 0.002 0.000 0.291 608 G C 0.538 174.663 174.900 -1.291 0.000 1.425 608 G CA 0.008 44.496 45.100 -1.020 0.000 0.787 608 G HN 0.809 nan 8.290 nan 0.000 0.484 609 S N -1.582 113.612 115.700 -0.843 0.000 2.603 609 S HA 0.173 4.644 4.470 0.002 0.000 0.229 609 S C 0.994 175.503 174.600 -0.151 0.000 0.972 609 S CA 0.804 58.783 58.200 -0.369 0.000 0.935 609 S CB -0.757 62.512 63.200 0.115 0.000 0.769 609 S HN 1.578 nan 8.310 nan 0.000 0.536 610 V N -0.754 119.065 119.914 -0.159 0.000 2.815 610 V HA 0.654 4.775 4.120 0.002 0.000 0.314 610 V C 1.258 177.322 176.094 -0.051 0.000 1.064 610 V CA -0.424 61.846 62.300 -0.050 0.000 0.952 610 V CB 1.278 33.100 31.823 -0.001 0.000 1.020 610 V HN 0.221 nan 8.190 nan 0.000 0.439 611 S N 0.496 116.200 115.700 0.006 0.000 2.419 611 S HA -0.190 4.281 4.470 0.002 0.000 0.235 611 S C 1.260 175.867 174.600 0.013 0.000 1.019 611 S CA 1.593 59.807 58.200 0.023 0.000 0.982 611 S CB -0.633 62.609 63.200 0.070 0.000 0.789 611 S HN 0.897 nan 8.310 nan 0.000 0.490 612 E N 0.793 121.002 120.200 0.015 0.000 2.409 612 E HA 0.175 4.526 4.350 0.002 0.000 0.198 612 E C 1.360 177.950 176.600 -0.017 0.000 1.024 612 E CA 0.522 56.933 56.400 0.019 0.000 0.861 612 E CB -0.134 29.593 29.700 0.044 0.000 0.788 612 E HN 0.527 nan 8.360 nan 0.000 0.521 613 L N -1.626 119.557 121.223 -0.067 0.000 2.858 613 L HA 0.304 4.645 4.340 0.002 0.000 0.251 613 L C 1.063 177.852 176.870 -0.135 0.000 1.149 613 L CA 0.493 55.248 54.840 -0.142 0.000 0.955 613 L CB 0.489 42.413 42.059 -0.224 0.000 1.289 613 L HN 0.335 nan 8.230 nan 0.000 0.542 614 G N 0.433 109.188 108.800 -0.074 0.000 2.175 614 G HA2 -0.284 3.677 3.960 0.002 0.000 0.244 614 G HA3 -0.284 3.677 3.960 0.002 0.000 0.244 614 G C 0.452 175.340 174.900 -0.020 0.000 0.982 614 G CA 0.091 45.172 45.100 -0.032 0.000 0.641 614 G HN 0.341 nan 8.290 nan 0.000 0.527 615 N N -1.051 117.589 118.700 -0.101 0.000 2.725 615 N HA -0.220 4.521 4.740 0.002 0.000 0.251 615 N C 0.890 176.457 175.510 0.096 0.000 1.031 615 N CA 1.895 54.897 53.050 -0.081 0.000 0.720 615 N CB -1.680 36.832 38.487 0.042 0.000 0.930 615 N HN 1.272 nan 8.380 nan 0.000 0.543 616 W N -3.108 118.282 121.300 0.149 0.000 2.303 616 W HA -0.262 4.399 4.660 0.002 0.000 0.267 616 W C 0.342 177.025 176.519 0.274 0.000 1.054 616 W CA 0.357 57.855 57.345 0.256 0.000 0.501 616 W CB -1.284 28.300 29.460 0.208 0.000 2.076 616 W HN 0.264 nan 8.180 nan 0.000 1.317 617 D N 0.547 121.129 120.400 0.303 0.000 2.339 617 D HA 0.170 4.811 4.640 0.002 0.000 0.241 617 D C -0.819 175.553 176.300 0.121 0.000 1.183 617 D CA -1.992 52.138 54.000 0.216 0.000 0.859 617 D CB 1.238 42.114 40.800 0.127 0.000 1.067 617 D HN -0.179 nan 8.370 nan 0.000 0.484 618 P HA -0.109 nan 4.420 nan 0.000 0.218 618 P C 0.959 178.198 177.300 -0.102 0.000 1.148 618 P CA 0.999 64.059 63.100 -0.067 0.000 0.822 618 P CB 0.184 31.845 31.700 -0.066 0.000 0.784 619 A N 0.325 123.124 122.820 -0.035 0.000 1.969 619 A HA -0.145 4.176 4.320 0.002 0.000 0.218 619 A C 1.842 179.407 177.584 -0.032 0.000 1.169 619 A CA 1.368 53.377 52.037 -0.046 0.000 0.635 619 A CB -0.826 18.168 19.000 -0.010 0.000 0.810 619 A HN 0.209 nan 8.150 nan 0.000 0.445 620 K N -0.034 120.362 120.400 -0.006 0.000 2.410 620 K HA 0.424 4.745 4.320 0.002 0.000 0.200 620 K C 0.472 177.074 176.600 0.002 0.000 1.023 620 K CA 0.188 56.479 56.287 0.008 0.000 1.149 620 K CB 0.190 32.702 32.500 0.020 0.000 0.859 620 K HN 0.412 nan 8.250 nan 0.000 0.514 621 A N 1.650 124.456 122.820 -0.024 0.000 2.448 621 A HA 0.199 4.520 4.320 0.002 0.000 0.239 621 A C 0.328 177.957 177.584 0.076 0.000 1.080 621 A CA -0.142 51.887 52.037 -0.014 0.000 0.779 621 A CB 0.199 19.152 19.000 -0.079 0.000 1.026 621 A HN 0.151 nan 8.150 nan 0.000 0.499 622 I N 1.029 121.625 120.570 0.044 0.000 2.396 622 I HA 0.598 4.769 4.170 0.002 0.000 0.292 622 I C 0.935 176.977 176.117 -0.125 0.000 0.999 622 I CA 1.041 62.337 61.300 -0.007 0.000 1.310 622 I CB 0.000 37.956 38.000 -0.074 0.000 1.404 622 I HN 1.045 nan 8.210 nan 0.000 0.496 623 G N 7.601 116.167 108.800 -0.391 0.000 2.325 623 G HA2 0.060 4.021 3.960 0.002 0.000 0.285 623 G HA3 0.060 4.021 3.960 0.002 0.000 0.285 623 G C -3.181 171.385 174.900 -0.557 0.000 1.303 623 G CA -0.865 43.670 45.100 -0.942 0.000 0.970 623 G HN 0.425 nan 8.290 nan 0.000 0.490 624 P HA 0.371 nan 4.420 nan 0.000 0.271 624 P C 0.191 177.008 177.300 -0.806 0.000 1.218 624 P CA -0.006 62.442 63.100 -1.086 0.000 0.780 624 P CB 0.476 31.907 31.700 -0.449 0.000 0.901 625 M N 1.578 120.785 119.600 -0.655 0.000 2.202 625 M HA 0.190 4.671 4.480 0.002 0.000 0.316 625 M C 0.249 176.547 176.300 -0.003 0.000 1.138 625 M CA 0.065 55.107 55.300 -0.430 0.000 1.151 625 M CB 0.027 32.551 32.600 -0.127 0.000 1.422 625 M HN 0.268 nan 8.290 nan 0.000 0.471 626 Y N 1.156 121.334 120.300 -0.203 0.000 2.392 626 Y HA 0.279 4.830 4.550 0.002 0.000 0.323 626 Y C 0.689 176.253 175.900 -0.560 0.000 1.291 626 Y CA -1.386 56.434 58.100 -0.467 0.000 1.345 626 Y CB 0.420 38.398 38.460 -0.804 0.000 1.320 626 Y HN 0.758 nan 8.280 nan 0.000 0.518 627 N N -2.096 116.448 118.700 -0.260 0.000 2.278 627 N HA 0.070 4.811 4.740 0.002 0.000 0.239 627 N C -0.571 174.869 175.510 -0.118 0.000 1.411 627 N CA -0.083 52.800 53.050 -0.278 0.000 0.908 627 N CB -0.372 37.576 38.487 -0.898 0.000 1.307 627 N HN 0.620 nan 8.380 nan 0.000 0.522 628 Q N -0.487 119.304 119.800 -0.016 0.000 2.618 628 Q HA 0.355 4.696 4.340 0.002 0.000 0.209 628 Q C 1.208 177.186 176.000 -0.036 0.000 0.797 628 Q CA 0.483 56.251 55.803 -0.059 0.000 0.888 628 Q CB 0.596 29.264 28.738 -0.116 0.000 1.244 628 Q HN 0.066 nan 8.270 nan 0.000 0.626 629 V N 0.784 120.685 119.914 -0.022 0.000 2.267 629 V HA -0.176 3.945 4.120 0.002 0.000 0.228 629 V C 2.155 178.118 176.094 -0.219 0.000 1.040 629 V CA 1.518 63.756 62.300 -0.103 0.000 1.010 629 V CB -0.852 30.910 31.823 -0.102 0.000 0.649 629 V HN 0.155 nan 8.190 nan 0.000 0.464 630 V N -1.464 118.181 119.914 -0.449 0.000 2.231 630 V HA -0.205 3.916 4.120 0.002 0.000 0.248 630 V C 0.880 176.479 176.094 -0.826 0.000 1.054 630 V CA 1.754 63.579 62.300 -0.792 0.000 1.015 630 V CB -0.790 30.294 31.823 -1.232 0.000 0.638 630 V HN 0.506 nan 8.190 nan 0.000 0.444 631 Y N -1.029 118.982 120.300 -0.482 0.000 2.468 631 Y HA 0.678 5.229 4.550 0.002 0.000 0.342 631 Y C -0.038 175.875 175.900 0.023 0.000 1.021 631 Y CA -1.119 56.913 58.100 -0.115 0.000 1.079 631 Y CB 1.452 39.918 38.460 0.009 0.000 1.226 631 Y HN 0.097 nan 8.280 nan 0.000 0.460 632 Q N 1.186 121.045 119.800 0.099 0.000 2.312 632 Q HA 0.286 4.627 4.340 0.002 0.000 0.263 632 Q C -1.224 174.774 176.000 -0.003 0.000 0.995 632 Q CA -0.931 54.884 55.803 0.019 0.000 0.853 632 Q CB 1.405 30.139 28.738 -0.007 0.000 1.300 632 Q HN 0.583 nan 8.270 nan 0.000 0.448 633 Y N 4.293 124.446 120.300 -0.246 0.000 2.788 633 Y HA 0.041 4.592 4.550 0.002 0.000 0.341 633 Y C -1.432 174.413 175.900 -0.093 0.000 1.258 633 Y CA -1.111 56.816 58.100 -0.289 0.000 1.503 633 Y CB 0.621 38.861 38.460 -0.367 0.000 1.325 633 Y HN 0.563 nan 8.280 nan 0.000 0.614 634 P HA 0.077 nan 4.420 nan 0.000 0.254 634 P C -1.249 175.897 177.300 -0.257 0.000 1.631 634 P CA 0.241 62.718 63.100 -1.038 0.000 0.861 634 P CB -0.267 30.890 31.700 -0.905 0.000 1.663 635 N N 0.776 119.378 118.700 -0.163 0.000 2.424 635 N HA 0.231 4.972 4.740 0.002 0.000 0.271 635 N C -0.908 174.595 175.510 -0.012 0.000 0.985 635 N CA -0.149 52.915 53.050 0.024 0.000 0.921 635 N CB 0.581 39.129 38.487 0.101 0.000 1.149 635 N HN 0.051 nan 8.380 nan 0.000 0.492 636 W N 2.675 123.932 121.300 -0.072 0.000 2.606 636 W HA 0.468 5.129 4.660 0.002 0.000 0.332 636 W C -0.105 176.383 176.519 -0.051 0.000 1.052 636 W CA -0.781 56.523 57.345 -0.068 0.000 1.223 636 W CB 0.455 29.808 29.460 -0.179 0.000 1.383 636 W HN 0.408 nan 8.180 nan 0.000 0.524 637 Y N -0.065 120.310 120.300 0.125 0.000 2.615 637 Y HA 0.828 5.379 4.550 0.002 0.000 0.341 637 Y C -1.885 174.147 175.900 0.220 0.000 1.089 637 Y CA -2.527 55.607 58.100 0.057 0.000 1.049 637 Y CB 1.855 40.274 38.460 -0.068 0.000 1.296 637 Y HN 0.460 nan 8.280 nan 0.000 0.470 638 Y N 0.504 120.895 120.300 0.152 0.000 2.452 638 Y HA 0.267 4.818 4.550 0.002 0.000 0.323 638 Y C -1.996 174.046 175.900 0.237 0.000 1.244 638 Y CA -1.451 56.673 58.100 0.040 0.000 1.158 638 Y CB 1.520 39.895 38.460 -0.142 0.000 1.332 638 Y HN 0.811 nan 8.280 nan 0.000 0.456 639 D N 4.403 124.773 120.400 -0.051 0.000 2.280 639 D HA 0.558 5.199 4.640 0.002 0.000 0.243 639 D C -0.816 175.552 176.300 0.113 0.000 1.129 639 D CA 0.094 54.169 54.000 0.125 0.000 0.848 639 D CB 1.904 42.810 40.800 0.176 0.000 1.107 639 D HN 0.222 nan 8.370 nan 0.000 0.471 640 V N 0.964 121.049 119.914 0.284 0.000 2.735 640 V HA 0.318 4.439 4.120 0.002 0.000 0.310 640 V C 0.236 176.483 176.094 0.255 0.000 1.061 640 V CA -0.989 61.468 62.300 0.263 0.000 0.913 640 V CB 2.120 34.074 31.823 0.219 0.000 1.005 640 V HN 0.487 nan 8.190 nan 0.000 0.428 641 S N 3.331 119.141 115.700 0.183 0.000 2.422 641 S HA 0.576 5.047 4.470 0.002 0.000 0.283 641 S C -0.430 174.257 174.600 0.144 0.000 1.163 641 S CA -0.434 57.852 58.200 0.143 0.000 1.054 641 S CB 0.122 63.371 63.200 0.080 0.000 0.967 641 S HN 0.994 nan 8.310 nan 0.000 0.499 642 V N 3.216 123.234 119.914 0.173 0.000 2.960 642 V HA 0.776 4.897 4.120 0.002 0.000 0.315 642 V C -2.917 173.244 176.094 0.113 0.000 1.087 642 V CA -3.120 59.284 62.300 0.173 0.000 0.982 642 V CB 1.297 33.308 31.823 0.313 0.000 1.039 642 V HN 0.553 nan 8.190 nan 0.000 0.437 643 P HA 0.297 nan 4.420 nan 0.000 0.271 643 P C -0.057 177.257 177.300 0.024 0.000 1.233 643 P CA 0.451 63.577 63.100 0.042 0.000 0.764 643 P CB 0.388 32.106 31.700 0.029 0.000 0.825 644 A N 3.847 126.680 122.820 0.023 0.000 2.498 644 A HA 0.444 4.765 4.320 0.002 0.000 0.239 644 A C 1.669 179.243 177.584 -0.016 0.000 1.068 644 A CA 0.775 52.819 52.037 0.011 0.000 0.766 644 A CB -1.083 17.930 19.000 0.021 0.000 1.003 644 A HN 0.814 nan 8.150 nan 0.000 0.497 645 G N 1.388 110.166 108.800 -0.037 0.000 2.347 645 G HA2 -0.295 3.666 3.960 0.002 0.000 0.247 645 G HA3 -0.295 3.666 3.960 0.002 0.000 0.247 645 G C 0.583 175.434 174.900 -0.082 0.000 1.037 645 G CA 0.934 46.005 45.100 -0.049 0.000 0.622 645 G HN 0.906 nan 8.290 nan 0.000 0.521 646 K N 1.205 121.552 120.400 -0.089 0.000 2.414 646 K HA 0.420 4.741 4.320 0.002 0.000 0.272 646 K C 0.020 176.505 176.600 -0.191 0.000 0.993 646 K CA 0.619 56.847 56.287 -0.098 0.000 0.964 646 K CB 0.358 32.822 32.500 -0.059 0.000 0.925 646 K HN 0.098 nan 8.250 nan 0.000 0.487 647 T N 4.110 118.586 114.554 -0.131 0.000 2.762 647 T HA 0.348 4.699 4.350 0.002 0.000 0.303 647 T C -0.262 174.394 174.700 -0.073 0.000 0.977 647 T CA -0.453 61.559 62.100 -0.146 0.000 0.961 647 T CB -0.129 68.709 68.868 -0.050 0.000 0.944 647 T HN 0.282 nan 8.240 nan 0.000 0.481 648 I N 2.585 123.084 120.570 -0.119 0.000 2.460 648 I HA 0.429 4.600 4.170 0.002 0.000 0.298 648 I C 0.468 176.825 176.117 0.401 0.000 0.989 648 I CA -0.806 60.571 61.300 0.128 0.000 1.173 648 I CB 1.798 39.907 38.000 0.182 0.000 1.338 648 I HN 0.404 nan 8.210 nan 0.000 0.456 649 E N 4.761 125.180 120.200 0.364 0.000 2.175 649 E HA 0.591 4.942 4.350 0.002 0.000 0.278 649 E C -1.453 175.405 176.600 0.430 0.000 0.969 649 E CA -0.539 56.133 56.400 0.453 0.000 0.796 649 E CB 1.365 31.346 29.700 0.469 0.000 1.104 649 E HN 0.431 nan 8.360 nan 0.000 0.395 650 F N 1.083 121.191 119.950 0.264 0.000 2.626 650 F HA 0.717 5.245 4.527 0.002 0.000 0.311 650 F C -1.082 174.852 175.800 0.225 0.000 1.088 650 F CA -1.173 56.846 58.000 0.033 0.000 0.949 650 F CB 1.279 40.205 39.000 -0.124 0.000 1.322 650 F HN 0.154 nan 8.300 nan 0.000 0.461 651 K N 0.935 121.445 120.400 0.183 0.000 2.512 651 K HA 0.684 5.005 4.320 0.002 0.000 0.263 651 K C -2.048 174.466 176.600 -0.144 0.000 0.966 651 K CA -0.667 55.692 56.287 0.121 0.000 0.851 651 K CB 2.057 34.883 32.500 0.543 0.000 1.395 651 K HN 0.564 nan 8.250 nan 0.000 0.440 652 F N 2.023 122.024 119.950 0.084 0.000 2.432 652 F HA 0.547 5.075 4.527 0.002 0.000 0.329 652 F C -0.094 175.773 175.800 0.111 0.000 1.076 652 F CA -0.601 57.461 58.000 0.102 0.000 1.018 652 F CB 0.986 40.122 39.000 0.227 0.000 1.201 652 F HN 0.126 nan 8.300 nan 0.000 0.489 653 L N 1.209 122.640 121.223 0.347 0.000 2.309 653 L HA 0.582 4.923 4.340 0.002 0.000 0.261 653 L C -0.870 176.092 176.870 0.154 0.000 1.021 653 L CA -1.141 53.787 54.840 0.147 0.000 0.823 653 L CB 2.336 44.256 42.059 -0.232 0.000 1.366 653 L HN 0.429 nan 8.230 nan 0.000 0.423 654 K N 1.691 122.120 120.400 0.048 0.000 2.507 654 K HA 0.394 4.715 4.320 0.002 0.000 0.253 654 K C -1.085 175.473 176.600 -0.071 0.000 0.969 654 K CA -0.541 55.689 56.287 -0.095 0.000 0.908 654 K CB 1.509 33.908 32.500 -0.170 0.000 1.127 654 K HN 0.356 nan 8.250 nan 0.000 0.437 655 K N 2.069 122.447 120.400 -0.037 0.000 2.123 655 K HA 0.259 4.580 4.320 0.002 0.000 0.259 655 K C -0.748 175.842 176.600 -0.016 0.000 0.960 655 K CA -0.709 55.520 56.287 -0.096 0.000 0.872 655 K CB 1.633 33.919 32.500 -0.357 0.000 1.079 655 K HN 0.347 nan 8.250 nan 0.000 0.440 656 Q N 1.159 120.937 119.800 -0.037 0.000 2.650 656 Q HA 0.279 4.620 4.340 0.002 0.000 0.239 656 Q C -0.093 175.898 176.000 -0.015 0.000 0.893 656 Q CA 0.408 56.209 55.803 -0.003 0.000 0.755 656 Q CB 1.091 29.829 28.738 0.000 0.000 1.349 656 Q HN 0.869 nan 8.270 nan 0.000 0.461 657 G N 1.998 110.795 108.800 -0.005 0.000 2.595 657 G HA2 -0.369 3.592 3.960 0.002 0.000 0.297 657 G HA3 -0.369 3.592 3.960 0.002 0.000 0.297 657 G C 0.543 175.412 174.900 -0.052 0.000 1.181 657 G CA 0.631 45.724 45.100 -0.011 0.000 0.963 657 G HN 1.244 nan 8.290 nan 0.000 0.541 658 S N -0.731 114.940 115.700 -0.049 0.000 2.666 658 S HA 0.457 4.928 4.470 0.002 0.000 0.239 658 S C 0.533 175.097 174.600 -0.061 0.000 1.031 658 S CA 1.084 59.242 58.200 -0.070 0.000 1.015 658 S CB 0.763 63.938 63.200 -0.041 0.000 0.981 658 S HN 0.921 nan 8.310 nan 0.000 0.547 659 T N 3.071 117.598 114.554 -0.044 0.000 2.814 659 T HA 0.468 4.819 4.350 0.002 0.000 0.297 659 T C -0.378 174.296 174.700 -0.044 0.000 0.956 659 T CA -0.120 61.967 62.100 -0.022 0.000 1.123 659 T CB 1.311 70.177 68.868 -0.004 0.000 0.902 659 T HN 0.305 nan 8.240 nan 0.000 0.528 660 V N 3.941 123.842 119.914 -0.021 0.000 2.604 660 V HA 0.687 4.808 4.120 0.002 0.000 0.305 660 V C -0.481 175.634 176.094 0.034 0.000 1.043 660 V CA -0.381 61.885 62.300 -0.056 0.000 0.888 660 V CB 2.254 33.988 31.823 -0.148 0.000 0.995 660 V HN 0.881 nan 8.190 nan 0.000 0.429 661 T N 7.062 121.631 114.554 0.025 0.000 2.809 661 T HA 0.418 4.769 4.350 0.002 0.000 0.296 661 T C -0.742 174.076 174.700 0.197 0.000 1.015 661 T CA 0.005 62.195 62.100 0.150 0.000 0.954 661 T CB 0.466 69.418 68.868 0.140 0.000 0.950 661 T HN 0.738 nan 8.240 nan 0.000 0.450 662 W N 2.200 123.587 121.300 0.145 0.000 2.150 662 W HA 0.288 4.949 4.660 0.002 0.000 0.341 662 W C 1.073 177.653 176.519 0.101 0.000 1.276 662 W CA -0.492 56.926 57.345 0.121 0.000 1.238 662 W CB 0.389 29.868 29.460 0.032 0.000 1.128 662 W HN 0.594 nan 8.180 nan 0.000 0.581 663 E N 0.974 121.264 120.200 0.151 0.000 2.390 663 E HA 0.342 4.693 4.350 0.002 0.000 0.261 663 E C 0.684 177.198 176.600 -0.144 0.000 1.076 663 E CA -0.117 56.041 56.400 -0.403 0.000 0.905 663 E CB 0.598 29.897 29.700 -0.668 0.000 0.984 663 E HN 0.562 nan 8.360 nan 0.000 0.427 664 G N 1.315 109.971 108.800 -0.240 0.000 2.510 664 G HA2 0.482 4.443 3.960 0.002 0.000 0.280 664 G HA3 0.482 4.443 3.960 0.002 0.000 0.280 664 G C 0.431 175.234 174.900 -0.161 0.000 1.386 664 G CA -0.077 44.952 45.100 -0.119 0.000 1.047 664 G HN 0.912 nan 8.290 nan 0.000 0.527 665 G N -0.871 107.853 108.800 -0.127 0.000 2.574 665 G HA2 -0.019 3.942 3.960 0.002 0.000 0.282 665 G HA3 -0.019 3.942 3.960 0.002 0.000 0.282 665 G C 0.399 175.194 174.900 -0.176 0.000 1.257 665 G CA 0.628 45.640 45.100 -0.147 0.000 0.956 665 G HN 1.730 nan 8.290 nan 0.000 0.560 666 S N 0.390 115.963 115.700 -0.212 0.000 2.718 666 S HA 0.635 5.106 4.470 0.002 0.000 0.300 666 S C 0.056 174.487 174.600 -0.281 0.000 1.117 666 S CA -0.830 57.243 58.200 -0.213 0.000 1.002 666 S CB 1.414 64.514 63.200 -0.166 0.000 1.092 666 S HN 0.808 nan 8.310 nan 0.000 0.542 667 N N 2.078 120.661 118.700 -0.194 0.000 2.407 667 N HA 0.054 4.795 4.740 0.002 0.000 0.250 667 N C -0.233 175.129 175.510 -0.246 0.000 1.236 667 N CA 0.446 53.427 53.050 -0.115 0.000 0.879 667 N CB -0.050 38.484 38.487 0.080 0.000 1.088 667 N HN 0.560 nan 8.380 nan 0.000 0.450 668 H N 0.404 119.246 119.070 -0.380 0.000 2.562 668 H HA 0.290 4.847 4.556 0.002 0.000 0.352 668 H C -0.024 175.140 175.328 -0.273 0.000 1.125 668 H CA 0.198 55.917 56.048 -0.549 0.000 1.379 668 H CB 0.850 29.794 29.762 -1.364 0.000 1.464 668 H HN 0.372 nan 8.280 nan 0.000 0.563 669 T N 3.302 117.965 114.554 0.181 0.000 2.876 669 T HA 0.475 4.826 4.350 0.002 0.000 0.289 669 T C -0.698 174.352 174.700 0.582 0.000 1.014 669 T CA -0.806 61.523 62.100 0.383 0.000 0.986 669 T CB 1.320 70.315 68.868 0.212 0.000 1.021 669 T HN 0.525 nan 8.240 nan 0.000 0.458 670 F N -0.901 119.247 119.950 0.329 0.000 2.719 670 F HA 0.697 5.225 4.527 0.002 0.000 0.309 670 F C -1.620 174.262 175.800 0.137 0.000 1.138 670 F CA -0.949 57.182 58.000 0.220 0.000 0.943 670 F CB 0.883 40.010 39.000 0.211 0.000 1.304 670 F HN 0.446 nan 8.300 nan 0.000 0.445 671 T N 2.973 117.311 114.554 -0.360 0.000 2.809 671 T HA 0.739 5.090 4.350 0.002 0.000 0.296 671 T C 0.017 174.427 174.700 -0.483 0.000 1.015 671 T CA -0.175 61.647 62.100 -0.464 0.000 0.954 671 T CB 0.953 69.728 68.868 -0.155 0.000 0.950 671 T HN 0.969 nan 8.240 nan 0.000 0.450 672 A N 5.613 128.034 122.820 -0.664 0.000 2.565 672 A HA 0.420 4.741 4.320 0.002 0.000 0.237 672 A C -2.197 175.348 177.584 -0.065 0.000 1.053 672 A CA -0.868 51.024 52.037 -0.242 0.000 0.755 672 A CB -0.442 18.473 19.000 -0.142 0.000 0.980 672 A HN 0.464 nan 8.150 nan 0.000 0.506 673 P HA 0.066 nan 4.420 nan 0.000 0.269 673 P C 0.847 178.159 177.300 0.021 0.000 1.215 673 P CA 0.331 63.451 63.100 0.033 0.000 0.780 673 P CB 0.622 32.360 31.700 0.062 0.000 0.898 674 S N -0.036 115.674 115.700 0.017 0.000 2.453 674 S HA 0.047 4.518 4.470 0.002 0.000 0.231 674 S C 0.738 175.352 174.600 0.023 0.000 1.005 674 S CA 0.697 58.905 58.200 0.013 0.000 0.949 674 S CB -0.544 62.662 63.200 0.010 0.000 0.774 674 S HN 0.686 nan 8.310 nan 0.000 0.510 675 S N -0.979 114.742 115.700 0.034 0.000 2.587 675 S HA 0.631 5.102 4.470 0.002 0.000 0.269 675 S C -0.002 174.633 174.600 0.059 0.000 1.154 675 S CA -0.182 58.043 58.200 0.042 0.000 0.824 675 S CB 0.907 64.127 63.200 0.033 0.000 1.118 675 S HN 1.738 nan 8.310 nan 0.000 0.462 676 G N 1.158 110.004 108.800 0.076 0.000 2.693 676 G HA2 0.182 4.143 3.960 0.002 0.000 0.226 676 G HA3 0.182 4.143 3.960 0.002 0.000 0.226 676 G C 0.047 175.014 174.900 0.113 0.000 1.354 676 G CA 0.435 45.593 45.100 0.095 0.000 0.873 676 G HN 2.324 nan 8.290 nan 0.000 0.562 677 T N -2.298 112.323 114.554 0.112 0.000 2.922 677 T HA 1.020 5.371 4.350 0.002 0.000 0.281 677 T C 0.212 174.961 174.700 0.082 0.000 1.005 677 T CA 0.608 62.779 62.100 0.117 0.000 0.982 677 T CB 1.857 70.802 68.868 0.129 0.000 1.158 677 T HN 2.641 nan 8.240 nan 0.000 0.566 678 A N 0.038 122.897 122.820 0.065 0.000 2.608 678 A HA 0.673 4.994 4.320 0.002 0.000 0.292 678 A C -0.696 176.869 177.584 -0.032 0.000 1.066 678 A CA -0.933 51.122 52.037 0.030 0.000 0.676 678 A CB 1.287 20.320 19.000 0.055 0.000 1.277 678 A HN 0.859 nan 8.150 nan 0.000 0.413 679 T N 2.453 116.977 114.554 -0.050 0.000 2.892 679 T HA 0.446 4.797 4.350 0.002 0.000 0.311 679 T C -0.625 173.985 174.700 -0.149 0.000 1.033 679 T CA -0.207 61.836 62.100 -0.096 0.000 0.991 679 T CB 0.203 69.065 68.868 -0.011 0.000 0.981 679 T HN 0.430 nan 8.240 nan 0.000 0.457 680 I N 4.065 124.428 120.570 -0.344 0.000 2.291 680 I HA 0.315 4.486 4.170 0.002 0.000 0.292 680 I C 0.394 176.427 176.117 -0.140 0.000 1.064 680 I CA -0.807 60.290 61.300 -0.337 0.000 1.269 680 I CB 0.066 37.543 38.000 -0.871 0.000 1.418 680 I HN 0.463 nan 8.210 nan 0.000 0.485 681 N N 7.312 126.006 118.700 -0.011 0.000 2.469 681 N HA 0.514 5.255 4.740 0.002 0.000 0.253 681 N C -0.880 174.705 175.510 0.125 0.000 0.970 681 N CA -0.239 52.835 53.050 0.040 0.000 0.940 681 N CB 1.498 39.999 38.487 0.022 0.000 1.128 681 N HN 0.402 nan 8.380 nan 0.000 0.503 682 V N 0.891 120.915 119.914 0.182 0.000 3.040 682 V HA 0.658 4.779 4.120 0.002 0.000 0.312 682 V C -0.137 176.075 176.094 0.196 0.000 1.115 682 V CA -1.198 61.238 62.300 0.226 0.000 0.998 682 V CB 1.908 33.880 31.823 0.247 0.000 1.042 682 V HN 0.488 nan 8.190 nan 0.000 0.433 683 N N 1.822 120.656 118.700 0.224 0.000 2.498 683 N HA 0.194 4.935 4.740 0.002 0.000 0.287 683 N C -0.750 174.929 175.510 0.282 0.000 1.097 683 N CA -0.451 52.724 53.050 0.209 0.000 0.973 683 N CB 1.680 40.270 38.487 0.172 0.000 1.153 683 N HN 0.966 nan 8.380 nan 0.000 0.472 684 W N 2.724 124.076 121.300 0.085 0.000 2.322 684 W HA 0.001 4.662 4.660 0.002 0.000 0.328 684 W C -0.685 175.922 176.519 0.146 0.000 1.395 684 W CA 0.102 57.516 57.345 0.114 0.000 1.267 684 W CB 0.245 29.705 29.460 -0.000 0.000 1.259 684 W HN 0.445 nan 8.180 nan 0.000 0.560 685 Q N 7.710 127.237 119.800 -0.456 0.000 2.322 685 Q HA 0.215 4.556 4.340 0.002 0.000 0.256 685 Q C -1.843 173.942 176.000 -0.360 0.000 0.960 685 Q CA -1.676 53.951 55.803 -0.293 0.000 0.934 685 Q CB 1.237 29.827 28.738 -0.246 0.000 1.200 685 Q HN 0.199 nan 8.270 nan 0.000 0.435 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.221 63.100 0.201 0.000 0.800 686 P CB 0.000 31.807 31.700 0.178 0.000 0.726