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 1vfu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH NTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.199 176.300 -0.168 0.000 1.140 1 M CA 0.000 55.232 55.300 -0.114 0.000 0.988 1 M CB 0.000 32.534 32.600 -0.109 0.000 1.302 2 L N 4.101 125.236 121.223 -0.148 0.000 2.838 2 L HA -0.047 4.294 4.340 0.001 0.000 0.287 2 L C 0.573 177.289 176.870 -0.256 0.000 1.124 2 L CA -0.277 54.463 54.840 -0.167 0.000 1.091 2 L CB -0.568 41.420 42.059 -0.118 0.000 1.448 2 L HN 0.750 nan 8.230 nan 0.000 0.455 3 L N 1.723 122.702 121.223 -0.406 0.000 2.376 3 L HA -0.089 4.251 4.340 0.001 0.000 0.219 3 L C 2.130 178.699 176.870 -0.501 0.000 1.133 3 L CA 1.063 55.436 54.840 -0.779 0.000 0.816 3 L CB -0.613 40.594 42.059 -1.420 0.000 0.933 3 L HN 0.480 nan 8.230 nan 0.000 0.449 4 E N 0.692 120.754 120.200 -0.230 0.000 2.153 4 E HA -0.113 4.238 4.350 0.001 0.000 0.194 4 E C 2.083 178.687 176.600 0.008 0.000 0.988 4 E CA 1.157 57.525 56.400 -0.055 0.000 0.811 4 E CB -0.245 29.438 29.700 -0.028 0.000 0.746 4 E HN 0.471 nan 8.360 nan 0.000 0.466 5 A N 0.581 123.386 122.820 -0.025 0.000 2.302 5 A HA 0.149 4.470 4.320 0.001 0.000 0.219 5 A C 0.433 178.090 177.584 0.121 0.000 1.243 5 A CA -0.008 52.072 52.037 0.071 0.000 0.856 5 A CB -0.230 18.782 19.000 0.020 0.000 0.893 5 A HN 0.073 nan 8.150 nan 0.000 0.491 6 I N -0.447 120.147 120.570 0.040 0.000 2.392 6 I HA 0.472 4.643 4.170 0.001 0.000 0.295 6 I C -0.648 175.577 176.117 0.179 0.000 0.985 6 I CA -0.492 60.838 61.300 0.049 0.000 1.221 6 I CB 1.487 39.397 38.000 -0.150 0.000 1.366 6 I HN 0.266 nan 8.210 nan 0.000 0.467 7 F N 6.044 126.013 119.950 0.032 0.000 2.588 7 F HA 0.648 5.176 4.527 0.001 0.000 0.314 7 F C -0.669 175.124 175.800 -0.013 0.000 1.069 7 F CA -0.205 57.808 58.000 0.022 0.000 0.931 7 F CB 1.636 40.523 39.000 -0.188 0.000 1.260 7 F HN 0.477 nan 8.300 nan 0.000 0.465 8 H N 2.852 120.879 119.070 -1.738 0.000 2.961 8 H HA 0.250 4.807 4.556 0.001 0.000 0.278 8 H C -2.189 172.316 175.328 -1.372 0.000 1.338 8 H CA -0.479 54.663 56.048 -1.510 0.000 1.373 8 H CB 1.901 31.041 29.762 -1.036 0.000 1.915 8 H HN 0.822 nan 8.280 nan 0.000 0.500 9 E N 2.553 121.835 120.200 -1.531 0.000 2.311 9 E HA 0.541 4.892 4.350 0.001 0.000 0.281 9 E C -1.196 175.098 176.600 -0.510 0.000 0.905 9 E CA -0.758 55.257 56.400 -0.641 0.000 0.778 9 E CB 1.768 31.354 29.700 -0.190 0.000 1.240 9 E HN 0.604 nan 8.360 nan 0.000 0.410 10 A N 4.616 127.403 122.820 -0.055 0.000 2.849 10 A HA 0.061 4.382 4.320 0.001 0.000 0.246 10 A C 0.086 177.816 177.584 0.243 0.000 1.820 10 A CA 1.059 53.234 52.037 0.231 0.000 1.512 10 A CB -1.053 18.163 19.000 0.360 0.000 0.884 10 A HN 0.641 nan 8.150 nan 0.000 0.626 11 K N -2.965 117.540 120.400 0.175 0.000 2.886 11 K HA 0.565 4.886 4.320 0.001 0.000 0.291 11 K C 0.718 177.465 176.600 0.246 0.000 1.057 11 K CA -0.518 55.914 56.287 0.241 0.000 0.797 11 K CB -0.365 32.227 32.500 0.153 0.000 1.490 11 K HN 1.271 nan 8.250 nan 0.000 0.365 12 G N 0.919 109.855 108.800 0.228 0.000 2.690 12 G HA2 -0.378 3.582 3.960 0.001 0.000 0.334 12 G HA3 -0.378 3.582 3.960 0.001 0.000 0.334 12 G C 0.623 175.673 174.900 0.250 0.000 1.250 12 G CA 0.878 46.100 45.100 0.202 0.000 0.994 12 G HN 0.766 nan 8.290 nan 0.000 0.549 13 S N 0.169 115.975 115.700 0.175 0.000 2.634 13 S HA 0.392 4.862 4.470 0.001 0.000 0.221 13 S C 0.738 175.223 174.600 -0.193 0.000 0.952 13 S CA 0.892 59.109 58.200 0.029 0.000 0.930 13 S CB 0.008 63.116 63.200 -0.153 0.000 0.780 13 S HN 0.493 nan 8.310 nan 0.000 0.498 14 Y N 0.467 120.889 120.300 0.204 0.000 2.499 14 Y HA 0.550 5.101 4.550 0.001 0.000 0.253 14 Y C 0.593 176.487 175.900 -0.010 0.000 1.105 14 Y CA -0.570 57.574 58.100 0.073 0.000 1.240 14 Y CB 0.901 39.315 38.460 -0.076 0.000 1.289 14 Y HN 0.196 nan 8.280 nan 0.000 0.534 15 A N 0.475 123.385 122.820 0.151 0.000 2.686 15 A HA 0.592 4.913 4.320 0.001 0.000 0.299 15 A C -1.677 175.967 177.584 0.100 0.000 1.151 15 A CA -0.515 51.559 52.037 0.062 0.000 0.851 15 A CB -0.654 18.491 19.000 0.241 0.000 1.448 15 A HN 0.235 nan 8.150 nan 0.000 0.404 16 Y N 0.477 120.743 120.300 -0.057 0.000 2.581 16 Y HA 0.930 5.480 4.550 0.001 0.000 0.345 16 Y C -3.194 172.591 175.900 -0.192 0.000 1.036 16 Y CA -3.257 54.801 58.100 -0.069 0.000 1.042 16 Y CB 1.533 40.025 38.460 0.055 0.000 1.289 16 Y HN 0.280 nan 8.280 nan 0.000 0.471 17 P HA 0.309 nan 4.420 nan 0.000 0.288 17 P C 0.196 177.579 177.300 0.139 0.000 1.267 17 P CA -0.427 62.645 63.100 -0.047 0.000 0.815 17 P CB 2.240 33.914 31.700 -0.044 0.000 0.989 18 I N -0.243 120.361 120.570 0.056 0.000 3.928 18 I HA 0.230 4.400 4.170 0.001 0.000 0.335 18 I C 0.055 176.200 176.117 0.047 0.000 1.325 18 I CA -0.190 61.168 61.300 0.097 0.000 1.107 18 I CB -0.057 37.980 38.000 0.062 0.000 1.014 18 I HN 0.313 nan 8.210 nan 0.000 0.400 19 S N 0.419 116.135 115.700 0.026 0.000 2.669 19 S HA 0.172 4.642 4.470 0.001 0.000 0.266 19 S C 0.116 174.718 174.600 0.004 0.000 1.149 19 S CA -0.423 57.788 58.200 0.017 0.000 0.842 19 S CB 0.726 63.926 63.200 0.000 0.000 1.160 19 S HN 0.362 nan 8.310 nan 0.000 0.487 20 E N 0.079 120.279 120.200 0.000 0.000 2.476 20 E HA 0.088 4.438 4.350 0.001 0.000 0.191 20 E C 0.960 177.525 176.600 -0.058 0.000 1.064 20 E CA 1.002 57.390 56.400 -0.020 0.000 0.866 20 E CB -0.161 29.535 29.700 -0.007 0.000 0.952 20 E HN 0.823 nan 8.360 nan 0.000 0.492 21 T N -3.328 111.194 114.554 -0.053 0.000 3.028 21 T HA 0.084 4.435 4.350 0.001 0.000 0.262 21 T C 0.466 175.121 174.700 -0.074 0.000 0.916 21 T CA -0.379 61.685 62.100 -0.060 0.000 0.873 21 T CB 0.202 69.051 68.868 -0.033 0.000 1.232 21 T HN 0.017 nan 8.240 nan 0.000 0.529 22 Q N 1.003 120.752 119.800 -0.084 0.000 2.274 22 Q HA 0.741 5.081 4.340 0.001 0.000 0.260 22 Q C -1.517 174.371 176.000 -0.187 0.000 0.974 22 Q CA -0.788 54.942 55.803 -0.121 0.000 0.876 22 Q CB 2.933 31.619 28.738 -0.087 0.000 1.297 22 Q HN 0.386 nan 8.270 nan 0.000 0.446 23 L N 1.805 122.861 121.223 -0.278 0.000 2.406 23 L HA 0.548 4.889 4.340 0.001 0.000 0.272 23 L C -1.147 175.458 176.870 -0.442 0.000 0.980 23 L CA -0.816 53.788 54.840 -0.393 0.000 0.831 23 L CB 1.625 43.395 42.059 -0.481 0.000 1.253 23 L HN 0.499 nan 8.230 nan 0.000 0.406 24 R N 3.515 123.715 120.500 -0.499 0.000 2.441 24 R HA 0.649 4.989 4.340 0.001 0.000 0.284 24 R C -1.299 174.697 176.300 -0.506 0.000 1.070 24 R CA -0.167 55.602 56.100 -0.551 0.000 1.047 24 R CB 1.245 31.018 30.300 -0.877 0.000 1.016 24 R HN 0.454 nan 8.270 nan 0.000 0.477 25 V N 1.522 121.248 119.914 -0.313 0.000 2.623 25 V HA 0.663 4.783 4.120 0.001 0.000 0.304 25 V C -0.616 175.549 176.094 0.118 0.000 1.054 25 V CA -0.967 61.280 62.300 -0.088 0.000 0.882 25 V CB 1.945 33.638 31.823 -0.218 0.000 1.002 25 V HN 0.717 nan 8.190 nan 0.000 0.424 26 R N 3.420 124.115 120.500 0.326 0.000 2.711 26 R HA 0.881 5.221 4.340 0.001 0.000 0.284 26 R C -1.377 175.333 176.300 0.683 0.000 0.968 26 R CA -0.792 55.585 56.100 0.462 0.000 0.924 26 R CB 2.671 33.201 30.300 0.382 0.000 1.162 26 R HN 0.910 nan 8.270 nan 0.000 0.465 27 L N 1.800 123.350 121.223 0.546 0.000 2.472 27 L HA 0.626 4.966 4.340 0.001 0.000 0.260 27 L C -1.329 175.762 176.870 0.369 0.000 0.963 27 L CA -0.768 54.252 54.840 0.300 0.000 0.829 27 L CB 2.152 44.171 42.059 -0.066 0.000 1.348 27 L HN 0.758 nan 8.230 nan 0.000 0.408 28 R N 4.001 124.635 120.500 0.224 0.000 2.867 28 R HA 1.036 5.376 4.340 0.001 0.000 0.268 28 R C -1.602 174.811 176.300 0.188 0.000 1.014 28 R CA -0.295 55.898 56.100 0.155 0.000 0.946 28 R CB 2.148 32.373 30.300 -0.125 0.000 1.208 28 R HN 0.830 nan 8.270 nan 0.000 0.477 29 A N 1.027 123.997 122.820 0.250 0.000 2.564 29 A HA 0.406 4.727 4.320 0.001 0.000 0.291 29 A C -1.426 176.281 177.584 0.203 0.000 1.102 29 A CA -1.003 51.174 52.037 0.232 0.000 0.660 29 A CB 1.193 20.269 19.000 0.126 0.000 1.283 29 A HN 0.804 nan 8.150 nan 0.000 0.430 30 K N 0.622 121.036 120.400 0.023 0.000 2.518 30 K HA 0.036 4.356 4.320 0.001 0.000 0.276 30 K C 0.011 176.557 176.600 -0.090 0.000 0.974 30 K CA 0.220 56.401 56.287 -0.176 0.000 0.986 30 K CB 0.297 32.696 32.500 -0.169 0.000 0.901 30 K HN 0.567 nan 8.250 nan 0.000 0.497 31 K N 2.107 122.416 120.400 -0.153 0.000 2.336 31 K HA 0.037 4.358 4.320 0.001 0.000 0.290 31 K C 0.402 176.980 176.600 -0.036 0.000 1.067 31 K CA 0.833 57.081 56.287 -0.065 0.000 0.962 31 K CB 0.017 32.468 32.500 -0.081 0.000 1.008 31 K HN 0.852 nan 8.250 nan 0.000 0.467 32 G N 3.983 112.792 108.800 0.015 0.000 3.131 32 G HA2 -0.258 3.702 3.960 0.001 0.000 0.198 32 G HA3 -0.258 3.702 3.960 0.001 0.000 0.198 32 G C 0.805 175.724 174.900 0.030 0.000 1.435 32 G CA 0.095 45.205 45.100 0.018 0.000 1.016 32 G HN 0.649 nan 8.290 nan 0.000 0.499 33 D N 0.675 121.079 120.400 0.007 0.000 2.191 33 D HA -0.009 4.631 4.640 0.001 0.000 0.190 33 D C 1.374 177.683 176.300 0.015 0.000 1.007 33 D CA 1.768 55.764 54.000 -0.006 0.000 0.865 33 D CB -0.001 40.778 40.800 -0.036 0.000 0.929 33 D HN 0.488 nan 8.370 nan 0.000 0.447 34 V N -0.098 119.862 119.914 0.075 0.000 2.483 34 V HA 0.228 4.349 4.120 0.001 0.000 0.295 34 V C 1.031 177.220 176.094 0.157 0.000 1.035 34 V CA -0.476 61.855 62.300 0.052 0.000 0.896 34 V CB 2.207 33.991 31.823 -0.065 0.000 0.986 34 V HN -0.149 nan 8.190 nan 0.000 0.447 35 V N 3.314 123.270 119.914 0.070 0.000 2.854 35 V HA 0.275 4.396 4.120 0.001 0.000 0.236 35 V C 0.771 176.935 176.094 0.116 0.000 1.157 35 V CA 0.511 62.886 62.300 0.125 0.000 1.187 35 V CB 0.244 32.109 31.823 0.070 0.000 0.949 35 V HN 0.810 nan 8.190 nan 0.000 0.488 36 R N -0.192 120.306 120.500 -0.004 0.000 2.670 36 R HA 0.600 4.940 4.340 0.001 0.000 0.289 36 R C -1.660 174.539 176.300 -0.169 0.000 0.965 36 R CA -0.261 55.824 56.100 -0.026 0.000 0.899 36 R CB 1.788 32.091 30.300 0.005 0.000 1.173 36 R HN 0.380 nan 8.270 nan 0.000 0.456 37 C N 4.325 123.515 119.300 -0.184 0.000 2.789 37 C HA 0.406 4.866 4.460 0.001 0.000 0.324 37 C C -0.839 174.133 174.990 -0.030 0.000 1.042 37 C CA -0.427 58.474 59.018 -0.195 0.000 1.396 37 C CB 0.540 27.951 27.740 -0.549 0.000 1.870 37 C HN 1.008 nan 8.230 nan 0.000 0.470 38 E N 3.569 123.756 120.200 -0.021 0.000 2.202 38 E HA 0.682 5.033 4.350 0.001 0.000 0.272 38 E C -1.139 175.387 176.600 -0.123 0.000 0.951 38 E CA -0.456 55.924 56.400 -0.032 0.000 0.813 38 E CB 1.938 31.638 29.700 -0.000 0.000 1.151 38 E HN 0.586 nan 8.360 nan 0.000 0.398 39 V N 4.885 124.679 119.914 -0.199 0.000 2.370 39 V HA 0.262 4.383 4.120 0.001 0.000 0.283 39 V C -0.593 175.403 176.094 -0.163 0.000 1.023 39 V CA -0.760 61.322 62.300 -0.363 0.000 0.857 39 V CB 0.967 32.443 31.823 -0.579 0.000 0.985 39 V HN 0.528 nan 8.190 nan 0.000 0.443 40 L N 7.217 128.348 121.223 -0.154 0.000 2.282 40 L HA 0.626 4.967 4.340 0.001 0.000 0.288 40 L C -0.284 176.634 176.870 0.080 0.000 1.033 40 L CA -0.185 54.559 54.840 -0.160 0.000 0.807 40 L CB 0.644 42.574 42.059 -0.215 0.000 1.209 40 L HN 0.742 nan 8.230 nan 0.000 0.423 41 Y N 1.276 121.523 120.300 -0.088 0.000 2.805 41 Y HA 1.020 5.571 4.550 0.001 0.000 0.323 41 Y C -0.537 175.378 175.900 0.026 0.000 1.279 41 Y CA -1.413 56.697 58.100 0.016 0.000 1.103 41 Y CB 1.744 40.217 38.460 0.021 0.000 1.324 41 Y HN 0.688 nan 8.280 nan 0.000 0.498 42 A N 0.673 123.613 122.820 0.199 0.000 2.571 42 A HA 0.346 4.666 4.320 0.001 0.000 0.296 42 A C -2.035 175.657 177.584 0.180 0.000 1.005 42 A CA -0.564 51.522 52.037 0.082 0.000 0.682 42 A CB 0.505 19.520 19.000 0.026 0.000 1.292 42 A HN 0.925 nan 8.150 nan 0.000 0.420 43 D N 0.507 120.997 120.400 0.151 0.000 2.488 43 D HA 0.220 4.861 4.640 0.001 0.000 0.238 43 D C 1.412 177.829 176.300 0.194 0.000 1.138 43 D CA 0.433 54.543 54.000 0.183 0.000 0.873 43 D CB 0.609 41.500 40.800 0.151 0.000 1.183 43 D HN 0.492 nan 8.370 nan 0.000 0.458 44 R N 2.260 122.904 120.500 0.240 0.000 2.122 44 R HA -0.251 4.090 4.340 0.001 0.000 0.236 44 R C 1.691 178.080 176.300 0.149 0.000 1.129 44 R CA 1.834 58.045 56.100 0.185 0.000 0.925 44 R CB -0.541 29.880 30.300 0.201 0.000 0.850 44 R HN 0.641 nan 8.270 nan 0.000 0.431 45 Y N 0.726 121.062 120.300 0.060 0.000 2.574 45 Y HA 0.066 4.616 4.550 0.001 0.000 0.294 45 Y C 1.114 177.034 175.900 0.033 0.000 1.142 45 Y CA -0.023 58.102 58.100 0.041 0.000 1.314 45 Y CB -0.746 37.739 38.460 0.041 0.000 0.991 45 Y HN 0.136 nan 8.280 nan 0.000 0.555 46 A N 0.375 123.307 122.820 0.188 0.000 2.609 46 A HA 0.026 4.346 4.320 0.001 0.000 0.232 46 A C 0.898 178.525 177.584 0.073 0.000 1.041 46 A CA 0.335 52.438 52.037 0.110 0.000 0.753 46 A CB -0.126 18.924 19.000 0.084 0.000 0.966 46 A HN 0.247 nan 8.150 nan 0.000 0.510 47 S N 3.119 118.852 115.700 0.056 0.000 2.549 47 S HA 0.270 4.740 4.470 0.001 0.000 0.283 47 S C -0.539 174.074 174.600 0.021 0.000 1.320 47 S CA -0.720 57.501 58.200 0.036 0.000 1.058 47 S CB 0.426 63.644 63.200 0.030 0.000 0.882 47 S HN 0.628 nan 8.310 nan 0.000 0.498 48 P HA -0.163 nan 4.420 nan 0.000 0.216 48 P C -0.034 177.267 177.300 0.002 0.000 1.153 48 P CA 1.274 64.374 63.100 0.001 0.000 0.858 48 P CB -0.042 31.653 31.700 -0.007 0.000 0.789 49 E N 0.390 120.593 120.200 0.004 0.000 2.545 49 E HA 0.107 4.457 4.350 0.001 0.000 0.271 49 E C 0.568 177.172 176.600 0.007 0.000 1.508 49 E CA -0.034 56.368 56.400 0.004 0.000 1.774 49 E CB -0.192 29.510 29.700 0.003 0.000 1.460 49 E HN 0.448 nan 8.360 nan 0.000 0.449 50 E N 0.254 120.459 120.200 0.008 0.000 2.440 50 E HA 0.235 4.586 4.350 0.001 0.000 0.263 50 E C -0.785 175.819 176.600 0.008 0.000 0.938 50 E CA -0.765 55.641 56.400 0.008 0.000 0.831 50 E CB 1.420 31.128 29.700 0.012 0.000 1.456 50 E HN -0.069 nan 8.360 nan 0.000 0.427 51 E N 0.822 121.024 120.200 0.004 0.000 2.214 51 E HA 0.356 4.706 4.350 0.001 0.000 0.274 51 E C -0.704 175.891 176.600 -0.009 0.000 0.977 51 E CA -0.468 55.936 56.400 0.007 0.000 0.827 51 E CB 1.236 30.939 29.700 0.005 0.000 1.130 51 E HN 0.366 nan 8.360 nan 0.000 0.394 52 L N 1.162 122.386 121.223 0.002 0.000 2.416 52 L HA 0.561 4.901 4.340 0.001 0.000 0.262 52 L C 0.585 177.407 176.870 -0.081 0.000 1.093 52 L CA -0.790 54.016 54.840 -0.057 0.000 0.801 52 L CB 1.050 43.078 42.059 -0.052 0.000 1.191 52 L HN 0.458 nan 8.230 nan 0.000 0.459 53 A N -0.149 122.473 122.820 -0.329 0.000 2.269 53 A HA 0.692 5.012 4.320 0.001 0.000 0.319 53 A C -0.984 176.436 177.584 -0.273 0.000 1.110 53 A CA -0.286 51.496 52.037 -0.423 0.000 0.847 53 A CB 0.590 18.903 19.000 -1.146 0.000 1.161 53 A HN 0.753 nan 8.150 nan 0.000 0.497 54 H N -1.264 117.688 119.070 -0.197 0.000 2.797 54 H HA 0.838 5.394 4.556 0.001 0.000 0.362 54 H C -0.347 175.040 175.328 0.099 0.000 1.183 54 H CA 0.232 56.269 56.048 -0.019 0.000 1.197 54 H CB 2.027 31.777 29.762 -0.019 0.000 1.835 54 H HN 1.107 nan 8.280 nan 0.000 0.567 55 A N 1.389 124.321 122.820 0.188 0.000 2.540 55 A HA 0.332 4.652 4.320 0.001 0.000 0.315 55 A C -2.014 175.603 177.584 0.056 0.000 1.037 55 A CA -0.630 51.480 52.037 0.122 0.000 0.940 55 A CB 0.339 19.409 19.000 0.117 0.000 1.262 55 A HN 0.462 nan 8.150 nan 0.000 0.377 56 L N 2.962 124.223 121.223 0.063 0.000 2.315 56 L HA 0.692 5.032 4.340 0.001 0.000 0.283 56 L C 0.687 177.600 176.870 0.072 0.000 1.089 56 L CA 0.349 55.227 54.840 0.064 0.000 0.833 56 L CB 0.885 42.989 42.059 0.074 0.000 1.170 56 L HN 1.196 nan 8.230 nan 0.000 0.442 57 A N 4.854 127.728 122.820 0.089 0.000 2.410 57 A HA 0.547 4.867 4.320 0.001 0.000 0.292 57 A C 0.713 178.459 177.584 0.271 0.000 1.232 57 A CA 0.103 52.236 52.037 0.160 0.000 0.893 57 A CB -0.831 18.297 19.000 0.212 0.000 1.131 57 A HN 0.938 nan 8.150 nan 0.000 0.530 58 G N 1.779 110.698 108.800 0.198 0.000 2.406 58 G HA2 0.343 4.303 3.960 0.001 0.000 0.251 58 G HA3 0.343 4.303 3.960 0.001 0.000 0.251 58 G C 0.239 175.246 174.900 0.179 0.000 1.271 58 G CA -0.583 44.630 45.100 0.188 0.000 0.859 58 G HN 0.846 nan 8.290 nan 0.000 0.540 59 K N 1.969 122.431 120.400 0.104 0.000 2.245 59 K HA 0.267 4.587 4.320 0.001 0.000 0.281 59 K C 1.338 177.880 176.600 -0.097 0.000 1.079 59 K CA 0.183 56.338 56.287 -0.220 0.000 1.000 59 K CB 0.087 32.455 32.500 -0.221 0.000 1.038 59 K HN 0.433 nan 8.250 nan 0.000 0.430 60 A N 3.712 126.496 122.820 -0.060 0.000 2.067 60 A HA 0.200 4.520 4.320 0.001 0.000 0.217 60 A C 0.847 178.423 177.584 -0.013 0.000 1.156 60 A CA 1.082 53.112 52.037 -0.012 0.000 0.683 60 A CB 0.017 19.024 19.000 0.012 0.000 0.808 60 A HN 0.830 nan 8.150 nan 0.000 0.455 61 G N -2.674 106.129 108.800 0.005 0.000 2.328 61 G HA2 0.473 4.434 3.960 0.001 0.000 0.295 61 G HA3 0.473 4.434 3.960 0.001 0.000 0.295 61 G C -1.373 173.626 174.900 0.165 0.000 1.413 61 G CA 0.096 45.224 45.100 0.047 0.000 0.817 61 G HN 0.525 nan 8.290 nan 0.000 0.546 62 S N 0.556 116.349 115.700 0.154 0.000 2.668 62 S HA 0.581 5.052 4.470 0.001 0.000 0.277 62 S C -0.610 174.088 174.600 0.163 0.000 1.170 62 S CA -0.738 57.578 58.200 0.194 0.000 0.994 62 S CB 1.929 65.178 63.200 0.081 0.000 1.051 62 S HN 0.979 nan 8.310 nan 0.000 0.484 63 D N 1.561 122.112 120.400 0.252 0.000 2.446 63 D HA 0.208 4.849 4.640 0.001 0.000 0.288 63 D C 0.671 177.025 176.300 0.089 0.000 1.195 63 D CA -0.617 53.475 54.000 0.153 0.000 1.095 63 D CB 0.058 40.995 40.800 0.229 0.000 1.153 63 D HN 0.506 nan 8.370 nan 0.000 0.568 64 E N -1.416 118.822 120.200 0.063 0.000 2.512 64 E HA 0.064 4.414 4.350 0.001 0.000 0.195 64 E C 0.646 177.229 176.600 -0.029 0.000 1.083 64 E CA 0.183 56.590 56.400 0.013 0.000 0.873 64 E CB 0.108 29.806 29.700 -0.003 0.000 0.897 64 E HN 0.267 nan 8.360 nan 0.000 0.514 65 R N -2.053 118.418 120.500 -0.048 0.000 2.517 65 R HA 0.143 4.484 4.340 0.001 0.000 0.228 65 R C -0.616 175.337 176.300 -0.577 0.000 0.950 65 R CA -0.143 55.770 56.100 -0.312 0.000 1.314 65 R CB 0.613 30.652 30.300 -0.434 0.000 1.739 65 R HN -0.075 nan 8.270 nan 0.000 0.481 66 F N 0.696 120.607 119.950 -0.066 0.000 2.618 66 F HA 0.470 4.998 4.527 0.001 0.000 0.332 66 F C -0.205 175.479 175.800 -0.193 0.000 1.061 66 F CA -0.926 56.964 58.000 -0.183 0.000 0.974 66 F CB 1.278 40.040 39.000 -0.396 0.000 1.310 66 F HN -0.315 nan 8.300 nan 0.000 0.491 67 D N 0.305 120.680 120.400 -0.042 0.000 2.505 67 D HA 0.286 4.927 4.640 0.001 0.000 0.249 67 D C -1.426 174.734 176.300 -0.234 0.000 1.082 67 D CA -0.268 53.676 54.000 -0.094 0.000 0.839 67 D CB 1.790 42.570 40.800 -0.032 0.000 1.317 67 D HN 0.273 nan 8.370 nan 0.000 0.497 68 Y N 0.985 121.194 120.300 -0.152 0.000 2.352 68 Y HA 0.475 5.026 4.550 0.001 0.000 0.339 68 Y C -0.165 175.557 175.900 -0.296 0.000 0.992 68 Y CA -0.763 57.306 58.100 -0.050 0.000 1.100 68 Y CB 1.166 39.645 38.460 0.030 0.000 1.192 68 Y HN 0.180 nan 8.280 nan 0.000 0.458 69 F N 1.309 121.431 119.950 0.287 0.000 2.508 69 F HA 0.526 5.054 4.527 0.001 0.000 0.325 69 F C -0.162 175.767 175.800 0.214 0.000 1.090 69 F CA -0.963 57.167 58.000 0.217 0.000 0.945 69 F CB 2.054 41.172 39.000 0.197 0.000 1.156 69 F HN 0.392 nan 8.300 nan 0.000 0.463 70 E N 1.688 122.067 120.200 0.299 0.000 2.290 70 E HA 0.796 5.147 4.350 0.001 0.000 0.274 70 E C -1.885 174.777 176.600 0.104 0.000 0.889 70 E CA -0.800 55.706 56.400 0.177 0.000 0.760 70 E CB 1.999 31.760 29.700 0.102 0.000 1.206 70 E HN 0.775 nan 8.360 nan 0.000 0.419 71 A N 3.524 126.358 122.820 0.023 0.000 2.520 71 A HA 0.583 4.904 4.320 0.001 0.000 0.298 71 A C -1.975 175.519 177.584 -0.150 0.000 1.051 71 A CA -0.714 51.295 52.037 -0.045 0.000 0.690 71 A CB 1.451 20.421 19.000 -0.050 0.000 1.281 71 A HN 0.491 nan 8.150 nan 0.000 0.402 72 L N 2.031 123.170 121.223 -0.139 0.000 2.289 72 L HA 0.682 5.023 4.340 0.001 0.000 0.285 72 L C -1.321 175.397 176.870 -0.253 0.000 1.049 72 L CA -0.533 54.191 54.840 -0.194 0.000 0.804 72 L CB 1.010 42.996 42.059 -0.122 0.000 1.195 72 L HN 0.534 nan 8.230 nan 0.000 0.428 73 L N 5.064 126.041 121.223 -0.409 0.000 2.296 73 L HA 0.466 4.806 4.340 0.001 0.000 0.286 73 L C -0.048 176.600 176.870 -0.370 0.000 1.023 73 L CA -0.379 54.070 54.840 -0.653 0.000 0.812 73 L CB 1.261 42.665 42.059 -1.092 0.000 1.223 73 L HN 0.515 nan 8.230 nan 0.000 0.421 74 E N 2.441 122.578 120.200 -0.105 0.000 2.194 74 E HA 0.235 4.585 4.350 0.001 0.000 0.284 74 E C -0.874 175.798 176.600 0.120 0.000 1.035 74 E CA -0.099 56.324 56.400 0.037 0.000 0.836 74 E CB 1.186 30.957 29.700 0.117 0.000 1.070 74 E HN 0.461 nan 8.360 nan 0.000 0.401 75 C N 2.932 122.249 119.300 0.028 0.000 2.492 75 C HA 0.111 4.572 4.460 0.001 0.000 0.284 75 C C 1.918 176.928 174.990 0.034 0.000 1.082 75 C CA -0.617 58.436 59.018 0.058 0.000 1.555 75 C CB -0.777 26.962 27.740 -0.002 0.000 1.798 75 C HN 0.811 nan 8.230 nan 0.000 0.413 76 S N 1.605 117.337 115.700 0.054 0.000 2.402 76 S HA -0.128 4.343 4.470 0.001 0.000 0.233 76 S C 0.890 175.502 174.600 0.021 0.000 1.030 76 S CA 1.764 59.983 58.200 0.032 0.000 1.003 76 S CB -0.668 62.554 63.200 0.036 0.000 0.813 76 S HN 0.848 nan 8.310 nan 0.000 0.477 77 T N -1.400 113.175 114.554 0.034 0.000 2.944 77 T HA 0.618 4.968 4.350 0.001 0.000 0.284 77 T C 0.040 174.728 174.700 -0.019 0.000 1.010 77 T CA -0.993 61.127 62.100 0.032 0.000 1.025 77 T CB 1.326 70.236 68.868 0.070 0.000 1.079 77 T HN -0.029 nan 8.240 nan 0.000 0.516 78 K N -0.053 120.275 120.400 -0.119 0.000 2.458 78 K HA 0.228 4.548 4.320 0.001 0.000 0.194 78 K C 0.495 176.971 176.600 -0.207 0.000 1.024 78 K CA 0.154 56.218 56.287 -0.371 0.000 1.108 78 K CB 0.027 31.892 32.500 -1.058 0.000 0.846 78 K HN 0.443 nan 8.250 nan 0.000 0.518 79 R N -0.036 120.510 120.500 0.077 0.000 2.604 79 R HA 0.649 4.989 4.340 0.001 0.000 0.287 79 R C -0.950 175.485 176.300 0.225 0.000 0.970 79 R CA -0.838 55.411 56.100 0.249 0.000 0.946 79 R CB 2.031 32.541 30.300 0.350 0.000 1.127 79 R HN -0.104 nan 8.270 nan 0.000 0.473 80 V N 1.408 121.484 119.914 0.269 0.000 3.236 80 V HA 0.464 4.584 4.120 0.001 0.000 0.287 80 V C -1.792 174.488 176.094 0.310 0.000 1.491 80 V CA -0.750 61.714 62.300 0.273 0.000 1.037 80 V CB 2.379 34.334 31.823 0.220 0.000 1.160 80 V HN 0.922 nan 8.190 nan 0.000 0.453 81 K N 3.515 124.102 120.400 0.312 0.000 2.439 81 K HA 0.888 5.208 4.320 0.001 0.000 0.260 81 K C -1.824 174.994 176.600 0.363 0.000 1.032 81 K CA -0.698 55.731 56.287 0.236 0.000 0.882 81 K CB 2.572 35.135 32.500 0.106 0.000 1.420 81 K HN 1.392 nan 8.250 nan 0.000 0.455 82 Y N -3.320 117.045 120.300 0.109 0.000 2.661 82 Y HA 0.537 5.087 4.550 0.001 0.000 0.339 82 Y C -2.130 173.812 175.900 0.070 0.000 1.186 82 Y CA -1.294 56.845 58.100 0.065 0.000 1.137 82 Y CB 0.733 39.175 38.460 -0.030 0.000 1.354 82 Y HN 0.487 nan 8.280 nan 0.000 0.469 83 V N 3.272 123.272 119.914 0.144 0.000 2.962 83 V HA 0.743 4.863 4.120 0.001 0.000 0.313 83 V C -1.489 174.680 176.094 0.125 0.000 1.099 83 V CA -1.044 61.355 62.300 0.165 0.000 0.971 83 V CB 1.976 33.894 31.823 0.160 0.000 1.028 83 V HN 0.731 nan 8.190 nan 0.000 0.430 84 F N 4.659 124.689 119.950 0.133 0.000 2.411 84 F HA 0.666 5.193 4.527 0.001 0.000 0.324 84 F C 0.038 175.840 175.800 0.004 0.000 1.086 84 F CA -0.754 57.294 58.000 0.080 0.000 1.028 84 F CB 1.559 40.630 39.000 0.119 0.000 1.284 84 F HN 0.252 nan 8.300 nan 0.000 0.501 85 L N 4.230 125.510 121.223 0.095 0.000 2.514 85 L HA 0.405 4.745 4.340 0.001 0.000 0.257 85 L C -1.506 175.316 176.870 -0.081 0.000 1.101 85 L CA -0.238 54.486 54.840 -0.192 0.000 0.911 85 L CB 0.557 42.414 42.059 -0.337 0.000 1.162 85 L HN 0.469 nan 8.230 nan 0.000 0.477 86 L N 2.974 124.183 121.223 -0.023 0.000 2.265 86 L HA 0.519 4.859 4.340 0.001 0.000 0.288 86 L C 0.473 177.298 176.870 -0.076 0.000 1.058 86 L CA -0.234 54.572 54.840 -0.057 0.000 0.809 86 L CB 1.190 43.233 42.059 -0.028 0.000 1.179 86 L HN 0.385 nan 8.230 nan 0.000 0.429 87 T N 1.491 115.994 114.554 -0.085 0.000 2.925 87 T HA 0.635 4.986 4.350 0.001 0.000 0.285 87 T C 0.455 175.129 174.700 -0.043 0.000 1.021 87 T CA -0.438 61.629 62.100 -0.054 0.000 1.042 87 T CB 2.010 70.856 68.868 -0.037 0.000 1.037 87 T HN 0.784 nan 8.240 nan 0.000 0.481 88 G N 0.842 109.626 108.800 -0.026 0.000 2.887 88 G HA2 0.510 4.470 3.960 0.001 0.000 0.277 88 G HA3 0.510 4.470 3.960 0.001 0.000 0.277 88 G C -1.963 172.937 174.900 -0.001 0.000 1.346 88 G CA -1.617 43.473 45.100 -0.017 0.000 1.058 88 G HN 0.395 nan 8.290 nan 0.000 0.535 89 P HA -0.016 nan 4.420 nan 0.000 0.223 89 P C 0.492 177.796 177.300 0.007 0.000 1.144 89 P CA 1.062 64.167 63.100 0.009 0.000 0.783 89 P CB 0.274 31.977 31.700 0.005 0.000 0.771 90 Q N -1.417 118.384 119.800 0.002 0.000 2.324 90 Q HA 0.429 4.770 4.340 0.001 0.000 0.373 90 Q C 0.901 176.904 176.000 0.005 0.000 0.909 90 Q CA -0.024 55.781 55.803 0.003 0.000 1.135 90 Q CB -0.371 28.367 28.738 0.000 0.000 1.313 90 Q HN 0.032 nan 8.270 nan 0.000 0.417 91 G N 1.585 110.389 108.800 0.006 0.000 2.420 91 G HA2 -0.338 3.623 3.960 0.001 0.000 0.305 91 G HA3 -0.338 3.623 3.960 0.001 0.000 0.305 91 G C 0.071 174.974 174.900 0.006 0.000 0.971 91 G CA 0.861 45.965 45.100 0.007 0.000 0.843 91 G HN 0.465 nan 8.290 nan 0.000 0.512 92 E N 0.176 120.377 120.200 0.001 0.000 1.998 92 E HA 0.639 4.989 4.350 0.001 0.000 0.257 92 E C 0.666 177.266 176.600 -0.000 0.000 1.038 92 E CA -0.063 56.341 56.400 0.006 0.000 0.869 92 E CB 0.320 30.021 29.700 0.003 0.000 1.135 92 E HN 0.646 nan 8.360 nan 0.000 0.430 93 A N 2.570 125.390 122.820 0.000 0.000 2.433 93 A HA 0.418 4.739 4.320 0.001 0.000 0.250 93 A C 0.004 177.595 177.584 0.011 0.000 1.113 93 A CA -0.195 51.826 52.037 -0.026 0.000 0.794 93 A CB 0.570 19.531 19.000 -0.065 0.000 1.067 93 A HN 0.522 nan 8.150 nan 0.000 0.510 94 V N -1.218 118.688 119.914 -0.012 0.000 3.167 94 V HA 0.354 4.474 4.120 0.001 0.000 0.293 94 V C -1.773 174.381 176.094 0.100 0.000 1.379 94 V CA -0.522 61.849 62.300 0.119 0.000 1.019 94 V CB 1.922 33.812 31.823 0.112 0.000 1.115 94 V HN 0.776 nan 8.190 nan 0.000 0.442 95 Y N 2.380 122.801 120.300 0.202 0.000 2.352 95 Y HA 0.631 5.181 4.550 0.001 0.000 0.339 95 Y C -0.424 175.670 175.900 0.323 0.000 0.992 95 Y CA -0.610 57.625 58.100 0.225 0.000 1.100 95 Y CB 1.817 40.359 38.460 0.137 0.000 1.192 95 Y HN 0.608 nan 8.280 nan 0.000 0.458 96 F N 2.838 122.944 119.950 0.259 0.000 2.467 96 F HA 0.807 5.334 4.527 0.000 0.000 0.336 96 F C 0.047 175.920 175.800 0.122 0.000 1.123 96 F CA -0.412 57.619 58.000 0.051 0.000 0.964 96 F CB 0.958 39.994 39.000 0.061 0.000 1.136 96 F HN 0.621 nan 8.300 nan 0.000 0.447 97 G N 3.625 112.343 108.800 -0.136 0.000 2.682 97 G HA2 0.104 4.065 3.960 0.001 0.000 0.290 97 G HA3 0.104 4.065 3.960 0.001 0.000 0.290 97 G C -0.181 174.102 174.900 -1.028 0.000 1.425 97 G CA -0.582 44.174 45.100 -0.574 0.000 0.807 97 G HN 0.712 nan 8.290 nan 0.000 0.482 98 E N -1.051 118.290 120.200 -1.432 0.000 2.394 98 E HA -0.208 4.142 4.350 0.001 0.000 0.202 98 E C 1.890 178.190 176.600 -0.501 0.000 1.029 98 E CA 2.112 57.871 56.400 -1.068 0.000 0.855 98 E CB 0.040 29.269 29.700 -0.785 0.000 0.770 98 E HN 0.500 nan 8.360 nan 0.000 0.527 99 T N -3.788 110.541 114.554 -0.375 0.000 3.014 99 T HA 0.466 4.817 4.350 0.001 0.000 0.250 99 T C 0.742 175.362 174.700 -0.133 0.000 1.060 99 T CA 0.177 62.155 62.100 -0.204 0.000 1.040 99 T CB 1.079 69.854 68.868 -0.155 0.000 0.971 99 T HN 0.315 nan 8.240 nan 0.000 0.497 100 G N 0.711 109.415 108.800 -0.160 0.000 2.346 100 G HA2 0.301 4.262 3.960 0.001 0.000 0.294 100 G HA3 0.301 4.262 3.960 0.001 0.000 0.294 100 G C -1.694 173.116 174.900 -0.150 0.000 1.294 100 G CA -1.189 43.840 45.100 -0.119 0.000 0.962 100 G HN 0.210 nan 8.290 nan 0.000 0.508 101 F N 1.079 121.100 119.950 0.119 0.000 2.408 101 F HA 0.782 5.309 4.527 0.000 0.000 0.344 101 F C 0.852 176.706 175.800 0.090 0.000 1.112 101 F CA 0.061 58.129 58.000 0.113 0.000 1.096 101 F CB 2.144 41.149 39.000 0.008 0.000 1.129 101 F HN 0.588 nan 8.300 nan 0.000 0.486 102 S N 1.171 117.044 115.700 0.288 0.000 2.550 102 S HA 0.661 5.131 4.470 0.001 0.000 0.270 102 S C 0.347 175.082 174.600 0.225 0.000 1.145 102 S CA -0.085 58.226 58.200 0.185 0.000 0.852 102 S CB 1.421 64.672 63.200 0.086 0.000 1.119 102 S HN 0.757 nan 8.310 nan 0.000 0.465 103 A N 2.482 125.397 122.820 0.159 0.000 1.898 103 A HA 0.155 4.476 4.320 0.001 0.000 0.216 103 A C 0.501 178.137 177.584 0.086 0.000 1.181 103 A CA 0.972 53.125 52.037 0.193 0.000 0.620 103 A CB -0.577 18.491 19.000 0.114 0.000 0.819 103 A HN 0.840 nan 8.150 nan 0.000 0.442 104 E N -0.207 119.943 120.200 -0.084 0.000 2.152 104 E HA 0.334 4.685 4.350 0.001 0.000 0.285 104 E C 0.632 176.912 176.600 -0.534 0.000 1.043 104 E CA -0.477 55.756 56.400 -0.278 0.000 0.839 104 E CB 1.068 30.682 29.700 -0.144 0.000 1.069 104 E HN 0.435 nan 8.360 nan 0.000 0.399 105 R N 2.827 122.652 120.500 -1.125 0.000 2.224 105 R HA -0.352 3.989 4.340 0.001 0.000 0.255 105 R C 1.955 178.033 176.300 -0.370 0.000 1.130 105 R CA 2.822 58.292 56.100 -1.050 0.000 0.957 105 R CB -0.404 29.503 30.300 -0.655 0.000 0.907 105 R HN 0.671 nan 8.270 nan 0.000 0.446 106 S N 0.127 115.672 115.700 -0.257 0.000 2.351 106 S HA -0.167 4.303 4.470 0.001 0.000 0.220 106 S C 1.752 176.280 174.600 -0.120 0.000 1.035 106 S CA 1.509 59.621 58.200 -0.147 0.000 1.031 106 S CB -0.387 62.745 63.200 -0.114 0.000 0.928 106 S HN 0.457 nan 8.310 nan 0.000 0.433 107 K N 1.603 121.935 120.400 -0.113 0.000 2.442 107 K HA 0.086 4.406 4.320 0.001 0.000 0.199 107 K C 2.163 178.732 176.600 -0.052 0.000 1.044 107 K CA 0.823 57.068 56.287 -0.070 0.000 0.941 107 K CB -0.422 32.050 32.500 -0.048 0.000 0.759 107 K HN 0.572 nan 8.250 nan 0.000 0.472 108 A N 1.054 123.839 122.820 -0.059 0.000 1.975 108 A HA 0.216 4.536 4.320 0.001 0.000 0.215 108 A C 1.081 178.612 177.584 -0.088 0.000 1.170 108 A CA 1.122 53.156 52.037 -0.006 0.000 0.656 108 A CB -0.218 18.849 19.000 0.111 0.000 0.821 108 A HN 0.397 nan 8.150 nan 0.000 0.449 109 G N -2.396 106.333 108.800 -0.118 0.000 2.582 109 G HA2 0.207 4.167 3.960 0.001 0.000 0.222 109 G HA3 0.207 4.167 3.960 0.001 0.000 0.222 109 G C -0.535 174.239 174.900 -0.210 0.000 1.311 109 G CA -0.062 44.925 45.100 -0.189 0.000 0.915 109 G HN 1.611 nan 8.290 nan 0.000 0.528 110 V N 0.063 119.794 119.914 -0.305 0.000 2.697 110 V HA 0.581 4.702 4.120 0.001 0.000 0.296 110 V C -0.160 175.687 176.094 -0.413 0.000 1.140 110 V CA -0.952 61.175 62.300 -0.289 0.000 0.921 110 V CB 0.746 32.480 31.823 -0.148 0.000 1.036 110 V HN 1.118 nan 8.190 nan 0.000 0.438 111 F N 4.302 123.953 119.950 -0.499 0.000 2.535 111 F HA 0.428 4.955 4.527 0.001 0.000 0.332 111 F C 0.947 176.450 175.800 -0.495 0.000 1.208 111 F CA 0.691 58.349 58.000 -0.569 0.000 1.330 111 F CB 0.529 39.014 39.000 -0.859 0.000 1.167 111 F HN 0.452 nan 8.300 nan 0.000 0.597 112 Q N 0.854 120.642 119.800 -0.021 0.000 2.289 112 Q HA 0.220 4.560 4.340 0.001 0.000 0.270 112 Q C -1.832 174.307 176.000 0.232 0.000 1.038 112 Q CA -0.818 55.037 55.803 0.087 0.000 0.812 112 Q CB 2.531 31.284 28.738 0.026 0.000 1.300 112 Q HN 0.610 nan 8.270 nan 0.000 0.427 113 Y N 1.583 122.012 120.300 0.216 0.000 2.960 113 Y HA 0.350 4.900 4.550 0.001 0.000 0.343 113 Y C 0.952 176.972 175.900 0.200 0.000 1.106 113 Y CA -0.010 58.215 58.100 0.210 0.000 1.221 113 Y CB 0.130 38.718 38.460 0.214 0.000 1.232 113 Y HN 0.984 nan 8.280 nan 0.000 0.577 114 A N 3.820 126.700 122.820 0.099 0.000 1.861 114 A HA -0.308 4.013 4.320 0.001 0.000 0.248 114 A C -0.062 177.742 177.584 0.367 0.000 2.075 114 A CA 2.512 54.662 52.037 0.189 0.000 0.818 114 A CB -0.972 18.098 19.000 0.116 0.000 0.844 114 A HN 0.707 nan 8.150 nan 0.000 0.498 115 Y N -2.953 117.466 120.300 0.199 0.000 2.581 115 Y HA 0.561 5.112 4.550 0.001 0.000 0.337 115 Y C -1.001 175.140 175.900 0.401 0.000 1.108 115 Y CA -1.014 57.236 58.100 0.251 0.000 1.033 115 Y CB 1.416 39.968 38.460 0.153 0.000 1.318 115 Y HN 0.218 nan 8.280 nan 0.000 0.459 116 I N 5.533 126.004 120.570 -0.165 0.000 2.361 116 I HA 0.193 4.364 4.170 0.001 0.000 0.282 116 I C -0.938 175.193 176.117 0.023 0.000 1.075 116 I CA -0.614 60.741 61.300 0.091 0.000 1.205 116 I CB 0.013 38.000 38.000 -0.022 0.000 1.406 116 I HN 0.546 nan 8.210 nan 0.000 0.481 117 H N 4.636 123.778 119.070 0.121 0.000 2.899 117 H HA 0.094 4.650 4.556 0.001 0.000 0.303 117 H C 1.394 176.782 175.328 0.100 0.000 1.042 117 H CA -0.498 55.648 56.048 0.163 0.000 1.479 117 H CB 0.556 30.438 29.762 0.200 0.000 1.493 117 H HN 0.481 nan 8.280 nan 0.000 0.534 118 R N 1.233 121.834 120.500 0.169 0.000 2.154 118 R HA -0.217 4.124 4.340 0.001 0.000 0.248 118 R C 1.530 177.906 176.300 0.127 0.000 1.155 118 R CA 1.931 58.101 56.100 0.117 0.000 0.979 118 R CB -0.496 29.856 30.300 0.087 0.000 0.869 118 R HN 0.542 nan 8.270 nan 0.000 0.452 119 S N -0.141 115.650 115.700 0.152 0.000 2.561 119 S HA -0.011 4.460 4.470 0.001 0.000 0.225 119 S C 0.835 175.497 174.600 0.102 0.000 0.977 119 S CA 0.534 58.805 58.200 0.118 0.000 0.926 119 S CB 0.060 63.327 63.200 0.113 0.000 0.769 119 S HN 0.594 nan 8.310 nan 0.000 0.533 120 E N 0.971 121.247 120.200 0.126 0.000 2.585 120 E HA 0.247 4.597 4.350 0.001 0.000 0.206 120 E C -1.107 175.566 176.600 0.121 0.000 1.007 120 E CA -0.232 56.226 56.400 0.096 0.000 1.028 120 E CB 1.170 30.923 29.700 0.089 0.000 1.087 120 E HN 0.307 nan 8.360 nan 0.000 0.455 121 V N 1.875 121.866 119.914 0.129 0.000 2.364 121 V HA 0.150 4.270 4.120 0.001 0.000 0.272 121 V C 0.063 176.276 176.094 0.198 0.000 1.036 121 V CA -0.563 61.828 62.300 0.152 0.000 0.880 121 V CB 0.466 32.361 31.823 0.120 0.000 0.991 121 V HN 0.312 nan 8.190 nan 0.000 0.460 122 F N 4.009 123.970 119.950 0.018 0.000 2.539 122 F HA 0.060 4.588 4.527 0.001 0.000 0.393 122 F C 0.569 176.356 175.800 -0.021 0.000 1.032 122 F CA 0.473 58.459 58.000 -0.023 0.000 1.120 122 F CB 0.322 39.268 39.000 -0.091 0.000 1.014 122 F HN 0.483 nan 8.300 nan 0.000 0.546 123 T N 3.920 118.723 114.554 0.415 0.000 2.847 123 T HA 0.248 4.598 4.350 0.001 0.000 0.291 123 T C -0.204 174.562 174.700 0.111 0.000 0.998 123 T CA -0.643 61.548 62.100 0.153 0.000 0.967 123 T CB 1.309 70.245 68.868 0.113 0.000 0.954 123 T HN 0.656 nan 8.240 nan 0.000 0.441 124 T N 1.839 116.368 114.554 -0.042 0.000 2.925 124 T HA 0.682 5.033 4.350 0.001 0.000 0.285 124 T C -2.849 171.794 174.700 -0.095 0.000 1.021 124 T CA -2.640 59.413 62.100 -0.078 0.000 1.042 124 T CB 1.045 69.783 68.868 -0.217 0.000 1.037 124 T HN 0.100 nan 8.240 nan 0.000 0.481 125 P HA 0.074 nan 4.420 nan 0.000 0.266 125 P C 0.777 177.949 177.300 -0.213 0.000 1.186 125 P CA 0.006 63.022 63.100 -0.140 0.000 0.767 125 P CB 0.466 32.007 31.700 -0.265 0.000 0.820 126 E N 2.079 122.247 120.200 -0.054 0.000 2.112 126 E HA -0.106 4.244 4.350 0.001 0.000 0.190 126 E C 1.850 178.449 176.600 -0.001 0.000 0.979 126 E CA 1.184 57.573 56.400 -0.020 0.000 0.814 126 E CB -0.450 29.286 29.700 0.059 0.000 0.762 126 E HN 0.699 nan 8.360 nan 0.000 0.460 127 W N 0.967 122.269 121.300 0.004 0.000 2.388 127 W HA 0.112 4.773 4.660 0.001 0.000 0.294 127 W C 1.847 178.369 176.519 0.004 0.000 1.212 127 W CA 0.896 58.242 57.345 0.003 0.000 1.271 127 W CB -1.072 28.391 29.460 0.005 0.000 1.126 127 W HN -0.034 nan 8.180 nan 0.000 0.535 128 A N 2.220 124.408 122.820 -1.054 0.000 1.892 128 A HA -0.264 4.057 4.320 0.001 0.000 0.218 128 A C 2.142 179.486 177.584 -0.400 0.000 1.188 128 A CA 2.662 54.110 52.037 -0.982 0.000 0.631 128 A CB -0.970 17.458 19.000 -0.954 0.000 0.822 128 A HN 0.360 nan 8.150 nan 0.000 0.447 129 K N -0.042 120.185 120.400 -0.288 0.000 2.113 129 K HA -0.190 4.130 4.320 0.001 0.000 0.208 129 K C 1.140 177.665 176.600 -0.125 0.000 1.047 129 K CA 1.624 57.802 56.287 -0.182 0.000 0.928 129 K CB -0.185 32.233 32.500 -0.138 0.000 0.716 129 K HN 0.824 nan 8.250 nan 0.000 0.446 130 E N 0.153 120.315 120.200 -0.063 0.000 2.496 130 E HA 0.260 4.610 4.350 0.001 0.000 0.200 130 E C 0.136 176.755 176.600 0.032 0.000 1.016 130 E CA -0.320 56.072 56.400 -0.014 0.000 0.962 130 E CB 0.540 30.272 29.700 0.053 0.000 1.071 130 E HN 0.137 nan 8.360 nan 0.000 0.457 131 A N 0.992 123.810 122.820 -0.003 0.000 2.275 131 A HA 0.361 4.681 4.320 0.001 0.000 0.276 131 A C 0.253 177.814 177.584 -0.038 0.000 1.232 131 A CA -0.014 52.051 52.037 0.048 0.000 0.814 131 A CB 0.558 19.563 19.000 0.009 0.000 1.145 131 A HN 0.156 nan 8.150 nan 0.000 0.508 132 V N 0.148 120.035 119.914 -0.045 0.000 2.923 132 V HA 0.225 4.346 4.120 0.001 0.000 0.261 132 V C -0.643 175.404 176.094 -0.079 0.000 1.271 132 V CA -0.061 62.181 62.300 -0.097 0.000 0.932 132 V CB 0.734 32.532 31.823 -0.042 0.000 1.083 132 V HN 0.986 nan 8.190 nan 0.000 0.481 133 I N 2.529 122.978 120.570 -0.202 0.000 2.750 133 I HA 0.763 4.934 4.170 0.001 0.000 0.308 133 I C -1.558 174.521 176.117 -0.064 0.000 1.016 133 I CA -0.918 60.272 61.300 -0.183 0.000 1.098 133 I CB 2.434 40.184 38.000 -0.415 0.000 1.279 133 I HN 0.626 nan 8.210 nan 0.000 0.454 134 Y N 4.509 124.711 120.300 -0.163 0.000 2.388 134 Y HA 0.296 4.846 4.550 0.001 0.000 0.328 134 Y C -0.017 175.823 175.900 -0.101 0.000 0.963 134 Y CA -0.466 57.574 58.100 -0.101 0.000 1.240 134 Y CB 0.973 39.373 38.460 -0.100 0.000 1.118 134 Y HN 0.682 nan 8.280 nan 0.000 0.484 135 Q N 6.232 125.940 119.800 -0.153 0.000 2.289 135 Q HA 0.324 4.664 4.340 0.001 0.000 0.273 135 Q C -1.271 174.593 176.000 -0.227 0.000 1.029 135 Q CA 0.161 55.979 55.803 0.025 0.000 0.896 135 Q CB 0.491 29.457 28.738 0.381 0.000 1.182 135 Q HN 0.781 nan 8.270 nan 0.000 0.385 136 I N 4.899 125.285 120.570 -0.306 0.000 2.406 136 I HA 0.225 4.396 4.170 0.001 0.000 0.290 136 I C -0.884 175.149 176.117 -0.141 0.000 0.999 136 I CA -0.761 60.366 61.300 -0.289 0.000 1.124 136 I CB 1.233 39.023 38.000 -0.350 0.000 1.289 136 I HN 0.673 nan 8.210 nan 0.000 0.441 137 F N 9.833 129.560 119.950 -0.373 0.000 2.329 137 F HA 0.362 4.889 4.527 0.001 0.000 0.362 137 F C -1.265 174.366 175.800 -0.283 0.000 1.113 137 F CA -1.913 55.909 58.000 -0.296 0.000 1.212 137 F CB 0.621 39.500 39.000 -0.201 0.000 1.509 137 F HN 0.352 nan 8.300 nan 0.000 0.546 138 P HA -0.348 nan 4.420 nan 0.000 0.226 138 P C 1.338 178.504 177.300 -0.223 0.000 1.154 138 P CA 1.687 64.484 63.100 -0.504 0.000 0.918 138 P CB 0.246 31.191 31.700 -1.258 0.000 0.790 139 E N -0.593 119.492 120.200 -0.192 0.000 2.204 139 E HA -0.159 4.191 4.350 0.001 0.000 0.195 139 E C 1.681 178.477 176.600 0.327 0.000 0.990 139 E CA 0.973 57.517 56.400 0.241 0.000 0.821 139 E CB -0.069 29.776 29.700 0.242 0.000 0.750 139 E HN 0.084 nan 8.360 nan 0.000 0.477 140 R N -1.391 119.253 120.500 0.240 0.000 2.432 140 R HA 0.198 4.539 4.340 0.001 0.000 0.260 140 R C 1.307 177.725 176.300 0.197 0.000 0.935 140 R CA -0.171 56.012 56.100 0.139 0.000 1.080 140 R CB -0.263 30.133 30.300 0.160 0.000 1.155 140 R HN 0.140 nan 8.270 nan 0.000 0.531 141 F N -0.226 119.791 119.950 0.113 0.000 2.138 141 F HA 0.410 4.937 4.527 0.001 0.000 0.283 141 F C 0.184 176.376 175.800 0.654 0.000 1.100 141 F CA 0.500 58.636 58.000 0.225 0.000 1.189 141 F CB 0.368 39.425 39.000 0.095 0.000 1.060 141 F HN -0.051 nan 8.300 nan 0.000 0.492 142 A N 0.530 123.515 122.820 0.276 0.000 2.517 142 A HA 0.356 4.677 4.320 0.001 0.000 0.297 142 A C -1.722 175.730 177.584 -0.220 0.000 1.050 142 A CA -0.692 51.237 52.037 -0.179 0.000 0.694 142 A CB 0.669 19.356 19.000 -0.522 0.000 1.277 142 A HN 0.277 nan 8.150 nan 0.000 0.400 143 N N 1.608 119.980 118.700 -0.546 0.000 2.485 143 N HA 0.400 5.141 4.740 0.001 0.000 0.243 143 N C 0.772 176.103 175.510 -0.299 0.000 0.987 143 N CA 0.532 53.391 53.050 -0.318 0.000 0.940 143 N CB 1.554 39.834 38.487 -0.345 0.000 1.122 143 N HN 0.797 nan 8.380 nan 0.000 0.509 144 G N 1.490 110.179 108.800 -0.185 0.000 3.020 144 G HA2 -0.010 3.951 3.960 0.001 0.000 0.217 144 G HA3 -0.010 3.951 3.960 0.001 0.000 0.217 144 G C -0.092 174.736 174.900 -0.120 0.000 1.144 144 G CA -0.069 44.924 45.100 -0.177 0.000 0.760 144 G HN 0.578 nan 8.290 nan 0.000 0.548 145 D N -0.354 119.993 120.400 -0.087 0.000 2.381 145 D HA 0.237 4.878 4.640 0.001 0.000 0.245 145 D C -1.811 174.460 176.300 -0.049 0.000 1.297 145 D CA -1.666 52.298 54.000 -0.060 0.000 0.931 145 D CB 1.870 42.648 40.800 -0.036 0.000 1.334 145 D HN -0.051 nan 8.370 nan 0.000 0.535 146 P HA -0.120 nan 4.420 nan 0.000 0.236 146 P C 1.003 178.280 177.300 -0.039 0.000 1.172 146 P CA 0.570 63.644 63.100 -0.042 0.000 0.759 146 P CB 0.232 31.905 31.700 -0.045 0.000 0.843 147 S N 1.733 117.410 115.700 -0.039 0.000 2.362 147 S HA -0.164 4.306 4.470 0.001 0.000 0.221 147 S C 1.786 176.357 174.600 -0.048 0.000 1.032 147 S CA 1.122 59.299 58.200 -0.038 0.000 0.973 147 S CB -1.807 61.374 63.200 -0.032 0.000 0.849 147 S HN 0.220 nan 8.310 nan 0.000 0.465 148 N N 2.123 120.795 118.700 -0.045 0.000 2.585 148 N HA -0.039 4.701 4.740 0.001 0.000 0.188 148 N C -0.733 174.715 175.510 -0.103 0.000 1.102 148 N CA 0.766 53.779 53.050 -0.061 0.000 0.920 148 N CB -0.974 37.491 38.487 -0.038 0.000 0.963 148 N HN 0.280 nan 8.380 nan 0.000 0.447 149 D N 1.241 121.585 120.400 -0.093 0.000 2.506 149 D HA 0.098 4.739 4.640 0.001 0.000 0.234 149 D C -2.024 174.142 176.300 -0.223 0.000 1.143 149 D CA -0.627 53.291 54.000 -0.137 0.000 0.871 149 D CB 0.194 40.947 40.800 -0.079 0.000 1.190 149 D HN 0.251 nan 8.370 nan 0.000 0.459 150 P HA 0.252 nan 4.420 nan 0.000 0.276 150 P C -2.491 174.629 177.300 -0.299 0.000 1.252 150 P CA -1.126 61.689 63.100 -0.475 0.000 0.802 150 P CB 0.184 31.237 31.700 -1.079 0.000 1.035 151 P HA 0.015 nan 4.420 nan 0.000 0.270 151 P C 0.704 177.968 177.300 -0.060 0.000 1.221 151 P CA 0.820 63.865 63.100 -0.092 0.000 0.788 151 P CB -0.015 31.657 31.700 -0.046 0.000 0.904 152 G N 0.833 109.616 108.800 -0.027 0.000 2.380 152 G HA2 -0.283 3.677 3.960 0.001 0.000 0.298 152 G HA3 -0.283 3.677 3.960 0.001 0.000 0.298 152 G C 0.253 175.143 174.900 -0.017 0.000 0.989 152 G CA 0.490 45.586 45.100 -0.007 0.000 0.836 152 G HN 0.575 nan 8.290 nan 0.000 0.511 153 T N 1.426 115.953 114.554 -0.046 0.000 3.058 153 T HA 0.280 4.630 4.350 0.001 0.000 0.249 153 T C 0.890 175.532 174.700 -0.097 0.000 0.949 153 T CA 0.337 62.403 62.100 -0.056 0.000 1.204 153 T CB 0.023 68.859 68.868 -0.052 0.000 0.963 153 T HN 0.632 nan 8.240 nan 0.000 0.634 154 E N 2.671 122.751 120.200 -0.201 0.000 2.598 154 E HA -0.087 4.263 4.350 0.001 0.000 0.273 154 E C 0.502 177.001 176.600 -0.168 0.000 1.029 154 E CA 0.126 56.382 56.400 -0.240 0.000 0.985 154 E CB 0.375 29.843 29.700 -0.387 0.000 0.988 154 E HN 0.432 nan 8.360 nan 0.000 0.460 155 Q N 1.238 121.041 119.800 0.006 0.000 2.361 155 Q HA -0.044 4.296 4.340 0.001 0.000 0.276 155 Q C -0.388 175.825 176.000 0.355 0.000 1.022 155 Q CA 0.332 56.234 55.803 0.165 0.000 0.898 155 Q CB 0.375 29.193 28.738 0.133 0.000 1.246 155 Q HN 0.586 nan 8.270 nan 0.000 0.410 156 W N 2.674 124.119 121.300 0.241 0.000 2.290 156 W HA 0.434 5.094 4.660 0.001 0.000 0.408 156 W C -1.067 175.549 176.519 0.163 0.000 0.966 156 W CA -0.438 57.080 57.345 0.288 0.000 1.579 156 W CB -0.022 29.568 29.460 0.217 0.000 1.662 156 W HN 0.516 nan 8.180 nan 0.000 0.341 157 A N 4.188 127.132 122.820 0.207 0.000 2.413 157 A HA 0.322 4.642 4.320 0.001 0.000 0.307 157 A C 0.808 178.404 177.584 0.020 0.000 1.087 157 A CA -0.693 51.429 52.037 0.141 0.000 0.750 157 A CB 1.734 20.808 19.000 0.124 0.000 1.296 157 A HN 0.525 nan 8.150 nan 0.000 0.423 158 K N -0.060 120.358 120.400 0.031 0.000 2.504 158 K HA -0.074 4.247 4.320 0.001 0.000 0.195 158 K C -0.300 176.285 176.600 -0.026 0.000 1.036 158 K CA 1.616 57.890 56.287 -0.022 0.000 0.984 158 K CB -0.045 32.450 32.500 -0.007 0.000 0.788 158 K HN 0.745 nan 8.250 nan 0.000 0.488 159 D N 0.404 120.805 120.400 0.002 0.000 2.349 159 D HA 0.086 4.727 4.640 0.001 0.000 0.214 159 D C -0.025 176.281 176.300 0.009 0.000 1.063 159 D CA -0.030 53.974 54.000 0.006 0.000 0.847 159 D CB 0.637 41.451 40.800 0.023 0.000 0.933 159 D HN 0.219 nan 8.370 nan 0.000 0.513 160 A N 1.088 123.910 122.820 0.003 0.000 2.425 160 A HA 0.472 4.792 4.320 0.001 0.000 0.242 160 A C 0.472 178.052 177.584 -0.006 0.000 1.077 160 A CA -0.079 51.976 52.037 0.031 0.000 0.781 160 A CB 0.440 19.468 19.000 0.047 0.000 1.020 160 A HN 0.023 nan 8.150 nan 0.000 0.494 161 R N 1.676 122.194 120.500 0.030 0.000 2.684 161 R HA 0.232 4.573 4.340 0.001 0.000 0.252 161 R C -2.907 173.416 176.300 0.039 0.000 1.628 161 R CA -1.214 54.891 56.100 0.008 0.000 1.622 161 R CB 0.218 30.520 30.300 0.004 0.000 1.418 161 R HN 0.721 nan 8.270 nan 0.000 0.697 162 P HA 0.004 nan 4.420 nan 0.000 0.266 162 P C -0.124 177.203 177.300 0.045 0.000 1.186 162 P CA 0.113 63.290 63.100 0.128 0.000 0.767 162 P CB 1.453 33.261 31.700 0.180 0.000 0.820 163 R N 0.262 120.795 120.500 0.055 0.000 2.923 163 R HA 0.224 4.564 4.340 0.001 0.000 0.252 163 R C 1.802 178.120 176.300 0.029 0.000 1.130 163 R CA -0.848 55.255 56.100 0.004 0.000 1.043 163 R CB 0.615 30.945 30.300 0.050 0.000 1.205 163 R HN 0.522 nan 8.270 nan 0.000 0.495 164 H N 0.749 119.859 119.070 0.067 0.000 2.538 164 H HA -0.157 4.400 4.556 0.001 0.000 0.295 164 H C 0.540 175.911 175.328 0.071 0.000 1.095 164 H CA 1.861 57.950 56.048 0.069 0.000 1.216 164 H CB 0.246 30.033 29.762 0.042 0.000 1.355 164 H HN 0.522 nan 8.280 nan 0.000 0.567 165 D N -0.867 119.633 120.400 0.166 0.000 2.454 165 D HA -0.000 4.640 4.640 0.001 0.000 0.214 165 D C 0.670 177.009 176.300 0.066 0.000 1.088 165 D CA -0.091 53.996 54.000 0.146 0.000 0.855 165 D CB -0.121 40.749 40.800 0.118 0.000 1.025 165 D HN -0.088 nan 8.370 nan 0.000 0.502 166 S N 0.020 115.755 115.700 0.058 0.000 2.549 166 S HA 0.196 4.667 4.470 0.001 0.000 0.278 166 S C -0.230 174.312 174.600 -0.096 0.000 1.344 166 S CA 0.169 58.375 58.200 0.011 0.000 1.025 166 S CB 0.289 63.594 63.200 0.174 0.000 0.851 166 S HN 0.273 nan 8.310 nan 0.000 0.530 167 F N -0.268 119.589 119.950 -0.154 0.000 2.608 167 F HA 0.377 4.904 4.527 0.001 0.000 0.309 167 F C -0.526 175.129 175.800 -0.241 0.000 1.103 167 F CA -0.735 57.197 58.000 -0.113 0.000 0.954 167 F CB 1.716 40.595 39.000 -0.201 0.000 1.267 167 F HN 0.598 nan 8.300 nan 0.000 0.444 168 Y N 0.507 121.009 120.300 0.337 0.000 2.666 168 Y HA 0.271 4.822 4.550 0.001 0.000 0.260 168 Y C 1.224 177.391 175.900 0.445 0.000 1.089 168 Y CA 0.219 58.512 58.100 0.321 0.000 1.246 168 Y CB 1.564 40.097 38.460 0.121 0.000 1.353 168 Y HN 0.784 nan 8.280 nan 0.000 0.558 169 G N 0.762 109.807 108.800 0.409 0.000 2.143 169 G HA2 -0.253 3.707 3.960 0.001 0.000 0.248 169 G HA3 -0.253 3.707 3.960 0.001 0.000 0.248 169 G C 0.725 175.829 174.900 0.340 0.000 0.991 169 G CA -0.037 45.220 45.100 0.261 0.000 0.689 169 G HN 0.699 nan 8.290 nan 0.000 0.522 170 G N 0.276 109.396 108.800 0.533 0.000 2.321 170 G HA2 0.513 4.474 3.960 0.001 0.000 0.237 170 G HA3 0.513 4.474 3.960 0.001 0.000 0.237 170 G C 0.137 175.253 174.900 0.360 0.000 1.282 170 G CA 0.961 46.339 45.100 0.463 0.000 0.886 170 G HN 1.099 nan 8.290 nan 0.000 0.528 171 D N 0.325 120.851 120.400 0.209 0.000 2.744 171 D HA 0.270 4.910 4.640 0.001 0.000 0.304 171 D C 1.181 177.499 176.300 0.030 0.000 1.179 171 D CA -0.944 53.170 54.000 0.190 0.000 1.024 171 D CB 0.520 41.410 40.800 0.150 0.000 1.453 171 D HN 0.175 nan 8.370 nan 0.000 0.529 172 L N -0.900 120.326 121.223 0.005 0.000 2.109 172 L HA -0.015 4.325 4.340 0.001 0.000 0.207 172 L C 2.248 179.103 176.870 -0.025 0.000 1.086 172 L CA 0.937 55.738 54.840 -0.065 0.000 0.760 172 L CB -0.467 41.573 42.059 -0.032 0.000 0.910 172 L HN 0.436 nan 8.230 nan 0.000 0.437 173 K N 0.948 121.343 120.400 -0.008 0.000 2.020 173 K HA -0.167 4.154 4.320 0.001 0.000 0.212 173 K C 1.948 178.513 176.600 -0.059 0.000 1.050 173 K CA 1.844 58.112 56.287 -0.033 0.000 0.929 173 K CB -0.835 31.642 32.500 -0.037 0.000 0.714 173 K HN 0.230 nan 8.250 nan 0.000 0.443 174 G N -0.227 108.530 108.800 -0.071 0.000 2.422 174 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 174 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 174 G C 1.537 176.408 174.900 -0.049 0.000 1.146 174 G CA 1.072 46.087 45.100 -0.142 0.000 0.769 174 G HN 0.218 nan 8.290 nan 0.000 0.547 175 V N 1.430 121.419 119.914 0.125 0.000 2.392 175 V HA -0.213 3.907 4.120 0.001 0.000 0.249 175 V C 2.771 178.955 176.094 0.149 0.000 1.059 175 V CA 1.641 64.129 62.300 0.313 0.000 1.051 175 V CB -0.411 31.540 31.823 0.214 0.000 0.658 175 V HN 0.435 nan 8.190 nan 0.000 0.455 176 I N -0.024 120.562 120.570 0.027 0.000 2.252 176 I HA -0.179 3.991 4.170 0.001 0.000 0.245 176 I C 2.174 178.265 176.117 -0.043 0.000 1.102 176 I CA 1.472 62.762 61.300 -0.017 0.000 1.385 176 I CB -0.645 37.328 38.000 -0.045 0.000 1.064 176 I HN 0.305 nan 8.210 nan 0.000 0.414 177 D N 0.970 121.314 120.400 -0.094 0.000 2.309 177 D HA -0.118 4.523 4.640 0.001 0.000 0.212 177 D C 1.911 178.093 176.300 -0.197 0.000 0.968 177 D CA 0.858 54.762 54.000 -0.159 0.000 0.882 177 D CB -0.119 40.541 40.800 -0.232 0.000 0.918 177 D HN 0.262 nan 8.370 nan 0.000 0.503 178 R N 0.126 120.533 120.500 -0.156 0.000 2.362 178 R HA 0.214 4.554 4.340 0.001 0.000 0.227 178 R C 2.234 178.597 176.300 0.105 0.000 0.905 178 R CA -0.214 55.805 56.100 -0.134 0.000 1.067 178 R CB -0.311 29.862 30.300 -0.212 0.000 1.078 178 R HN 0.263 nan 8.270 nan 0.000 0.516 179 L N 1.051 122.315 121.223 0.069 0.000 2.089 179 L HA -0.189 4.151 4.340 0.001 0.000 0.213 179 L C -0.660 176.249 176.870 0.065 0.000 1.079 179 L CA 1.874 56.752 54.840 0.064 0.000 0.758 179 L CB -1.450 40.615 42.059 0.010 0.000 0.891 179 L HN 0.073 nan 8.230 nan 0.000 0.433 180 P HA -0.247 nan 4.420 nan 0.000 0.214 180 P C 1.424 178.800 177.300 0.127 0.000 1.163 180 P CA 1.460 64.596 63.100 0.060 0.000 0.883 180 P CB -0.091 31.629 31.700 0.033 0.000 0.788 181 Y N -0.022 120.309 120.300 0.053 0.000 2.097 181 Y HA -0.224 4.327 4.550 0.001 0.000 0.282 181 Y C 2.012 178.004 175.900 0.153 0.000 1.152 181 Y CA 1.379 59.565 58.100 0.143 0.000 1.136 181 Y CB -1.121 37.465 38.460 0.210 0.000 0.975 181 Y HN -0.237 nan 8.280 nan 0.000 0.498 182 L N 1.189 122.552 121.223 0.233 0.000 1.990 182 L HA -0.259 4.081 4.340 0.001 0.000 0.213 182 L C 2.562 179.375 176.870 -0.095 0.000 1.072 182 L CA 2.269 57.101 54.840 -0.014 0.000 0.755 182 L CB -1.437 40.632 42.059 0.016 0.000 0.889 182 L HN 0.437 nan 8.230 nan 0.000 0.432 183 E N -0.751 119.429 120.200 -0.033 0.000 2.085 183 E HA -0.283 4.068 4.350 0.001 0.000 0.194 183 E C 2.115 178.677 176.600 -0.063 0.000 0.994 183 E CA 1.416 57.787 56.400 -0.049 0.000 0.801 183 E CB -0.002 29.683 29.700 -0.025 0.000 0.743 183 E HN 0.561 nan 8.360 nan 0.000 0.453 184 E N 0.226 120.399 120.200 -0.045 0.000 2.110 184 E HA -0.208 4.142 4.350 0.001 0.000 0.193 184 E C 2.264 178.781 176.600 -0.139 0.000 0.988 184 E CA 0.780 57.155 56.400 -0.043 0.000 0.804 184 E CB -0.058 29.675 29.700 0.056 0.000 0.745 184 E HN 0.209 nan 8.360 nan 0.000 0.458 185 L N -0.075 121.017 121.223 -0.218 0.000 2.046 185 L HA -0.038 4.302 4.340 0.001 0.000 0.208 185 L C 1.537 178.293 176.870 -0.189 0.000 1.077 185 L CA 2.498 57.145 54.840 -0.322 0.000 0.747 185 L CB -0.230 41.643 42.059 -0.311 0.000 0.896 185 L HN 0.341 nan 8.230 nan 0.000 0.432 186 G N -1.457 107.269 108.800 -0.122 0.000 2.159 186 G HA2 -0.154 3.807 3.960 0.001 0.000 0.170 186 G HA3 -0.154 3.807 3.960 0.001 0.000 0.170 186 G C 0.247 175.153 174.900 0.011 0.000 1.007 186 G CA 0.142 45.213 45.100 -0.049 0.000 0.672 186 G HN 0.872 nan 8.290 nan 0.000 0.507 187 V N -0.506 119.386 119.914 -0.037 0.000 2.924 187 V HA 0.784 4.904 4.120 0.001 0.000 0.305 187 V C 1.137 177.222 176.094 -0.015 0.000 1.073 187 V CA 1.190 63.486 62.300 -0.007 0.000 1.098 187 V CB 1.451 33.244 31.823 -0.050 0.000 1.000 187 V HN 1.097 nan 8.190 nan 0.000 0.484 188 T N -0.210 114.356 114.554 0.019 0.000 3.132 188 T HA 0.761 5.111 4.350 0.001 0.000 0.274 188 T C 0.143 174.839 174.700 -0.007 0.000 1.011 188 T CA 0.309 62.414 62.100 0.009 0.000 0.899 188 T CB -0.122 68.793 68.868 0.079 0.000 1.089 188 T HN 2.056 nan 8.240 nan 0.000 0.543 189 A N 1.021 123.825 122.820 -0.025 0.000 2.590 189 A HA 0.653 4.974 4.320 0.001 0.000 0.294 189 A C -2.070 175.452 177.584 -0.103 0.000 1.046 189 A CA -1.021 50.983 52.037 -0.055 0.000 0.684 189 A CB 0.685 19.723 19.000 0.064 0.000 1.279 189 A HN 0.371 nan 8.150 nan 0.000 0.415 190 L N 1.852 122.953 121.223 -0.204 0.000 2.372 190 L HA 0.477 4.817 4.340 0.001 0.000 0.274 190 L C -0.927 175.641 176.870 -0.504 0.000 0.988 190 L CA -0.629 53.965 54.840 -0.410 0.000 0.833 190 L CB 1.682 43.334 42.059 -0.679 0.000 1.236 190 L HN 0.804 nan 8.230 nan 0.000 0.410 191 Y N 4.035 124.082 120.300 -0.422 0.000 2.350 191 Y HA 0.586 5.137 4.550 0.001 0.000 0.340 191 Y C -1.130 174.563 175.900 -0.345 0.000 1.006 191 Y CA -0.720 57.256 58.100 -0.207 0.000 1.166 191 Y CB 0.543 39.042 38.460 0.065 0.000 1.168 191 Y HN 0.279 nan 8.280 nan 0.000 0.502 192 F N 3.095 122.694 119.950 -0.584 0.000 2.450 192 F HA 0.511 5.038 4.527 0.001 0.000 0.328 192 F C 1.004 176.251 175.800 -0.922 0.000 1.068 192 F CA -0.482 57.113 58.000 -0.676 0.000 1.007 192 F CB 1.396 40.141 39.000 -0.425 0.000 1.251 192 F HN 0.597 nan 8.300 nan 0.000 0.492 193 T N -1.163 113.112 114.554 -0.465 0.000 2.865 193 T HA 0.440 4.790 4.350 0.001 0.000 0.302 193 T C -2.642 171.815 174.700 -0.404 0.000 1.078 193 T CA -1.933 59.932 62.100 -0.392 0.000 0.942 193 T CB 0.335 69.036 68.868 -0.278 0.000 1.387 193 T HN 0.147 nan 8.240 nan 0.000 0.557 194 P HA 0.269 nan 4.420 nan 0.000 0.269 194 P C 0.161 177.199 177.300 -0.437 0.000 1.209 194 P CA -0.098 62.674 63.100 -0.546 0.000 0.776 194 P CB 0.140 31.458 31.700 -0.636 0.000 0.876 195 I N -2.746 117.522 120.570 -0.504 0.000 4.541 195 I HA 0.304 4.475 4.170 0.001 0.000 0.337 195 I C 0.018 176.165 176.117 0.050 0.000 1.338 195 I CA -0.238 60.950 61.300 -0.186 0.000 1.244 195 I CB -0.063 37.716 38.000 -0.369 0.000 1.417 195 I HN 0.071 nan 8.210 nan 0.000 0.501 196 F N 2.736 122.604 119.950 -0.135 0.000 2.403 196 F HA 0.611 5.138 4.527 0.001 0.000 0.320 196 F C 1.482 177.266 175.800 -0.027 0.000 1.176 196 F CA -1.126 56.818 58.000 -0.093 0.000 1.206 196 F CB 0.714 39.645 39.000 -0.115 0.000 1.235 196 F HN -0.007 nan 8.300 nan 0.000 0.565 197 A N 2.137 125.093 122.820 0.228 0.000 2.553 197 A HA 0.283 4.604 4.320 0.001 0.000 0.258 197 A C 0.087 177.726 177.584 0.091 0.000 1.069 197 A CA 0.543 52.656 52.037 0.126 0.000 0.767 197 A CB -0.323 18.759 19.000 0.137 0.000 0.997 197 A HN 0.588 nan 8.150 nan 0.000 0.512 198 S N 3.264 118.994 115.700 0.050 0.000 2.537 198 S HA 0.676 5.147 4.470 0.001 0.000 0.271 198 S C -2.149 172.474 174.600 0.040 0.000 1.148 198 S CA -0.504 57.726 58.200 0.049 0.000 0.868 198 S CB 1.662 64.886 63.200 0.040 0.000 1.115 198 S HN 0.418 nan 8.310 nan 0.000 0.461 199 P HA 0.014 nan 4.420 nan 0.000 0.215 199 P C 0.936 178.284 177.300 0.080 0.000 1.157 199 P CA 0.791 63.932 63.100 0.069 0.000 0.856 199 P CB -0.537 31.205 31.700 0.070 0.000 0.786 200 S N 0.035 115.728 115.700 -0.012 0.000 2.622 200 S HA -0.111 4.359 4.470 0.001 0.000 0.251 200 S C 1.160 175.747 174.600 -0.021 0.000 1.402 200 S CA 0.334 58.425 58.200 -0.180 0.000 0.972 200 S CB -0.940 61.940 63.200 -0.534 0.000 0.913 200 S HN 0.311 nan 8.310 nan 0.000 0.573 201 H N -0.305 118.553 119.070 -0.353 0.000 2.592 201 H HA 0.091 4.648 4.556 0.001 0.000 0.265 201 H C 1.527 176.809 175.328 -0.077 0.000 0.955 201 H CA 0.868 56.777 56.048 -0.231 0.000 1.175 201 H CB 0.031 29.546 29.762 -0.412 0.000 1.433 201 H HN 0.930 nan 8.280 nan 0.000 0.537 202 H N -1.140 118.071 119.070 0.235 0.000 2.604 202 H HA 0.219 4.775 4.556 0.001 0.000 0.273 202 H C 0.630 175.955 175.328 -0.005 0.000 0.971 202 H CA -0.294 55.889 56.048 0.226 0.000 1.249 202 H CB 0.398 30.430 29.762 0.450 0.000 1.449 202 H HN -0.157 nan 8.280 nan 0.000 0.512 203 K N -0.455 120.034 120.400 0.148 0.000 3.291 203 K HA -0.219 4.102 4.320 0.001 0.000 0.290 203 K C -0.537 176.061 176.600 -0.003 0.000 1.235 203 K CA 0.735 57.049 56.287 0.046 0.000 0.848 203 K CB -2.737 29.747 32.500 -0.028 0.000 1.295 203 K HN 0.470 nan 8.250 nan 0.000 0.497 204 Y N 0.854 121.386 120.300 0.385 0.000 2.500 204 Y HA 0.002 4.552 4.550 0.001 0.000 0.270 204 Y C 0.647 176.629 175.900 0.137 0.000 1.134 204 Y CA 0.569 58.750 58.100 0.135 0.000 1.293 204 Y CB 0.370 38.804 38.460 -0.044 0.000 1.063 204 Y HN 0.202 nan 8.280 nan 0.000 0.534 205 D N -1.082 119.501 120.400 0.305 0.000 2.622 205 D HA 0.129 4.770 4.640 0.001 0.000 0.262 205 D C -0.211 176.143 176.300 0.091 0.000 1.189 205 D CA -0.329 53.801 54.000 0.217 0.000 0.985 205 D CB -0.052 40.867 40.800 0.198 0.000 0.994 205 D HN -0.185 nan 8.370 nan 0.000 0.513 206 T N 0.829 115.365 114.554 -0.030 0.000 2.777 206 T HA 0.158 4.508 4.350 0.001 0.000 0.273 206 T C 1.286 175.946 174.700 -0.068 0.000 1.016 206 T CA 0.476 62.449 62.100 -0.211 0.000 1.156 206 T CB 0.970 69.310 68.868 -0.880 0.000 1.019 206 T HN 0.573 nan 8.240 nan 0.000 0.503 207 A N 2.699 125.540 122.820 0.036 0.000 2.055 207 A HA 0.288 4.608 4.320 0.001 0.000 0.205 207 A C 0.918 178.663 177.584 0.269 0.000 1.235 207 A CA 0.100 52.244 52.037 0.179 0.000 0.822 207 A CB 0.485 19.575 19.000 0.150 0.000 0.903 207 A HN 0.715 nan 8.150 nan 0.000 0.473 208 D N -1.601 118.917 120.400 0.197 0.000 2.411 208 D HA 0.252 4.893 4.640 0.001 0.000 0.239 208 D C -0.186 176.276 176.300 0.270 0.000 1.307 208 D CA -0.576 53.611 54.000 0.311 0.000 0.930 208 D CB -0.279 40.679 40.800 0.264 0.000 1.395 208 D HN 0.153 nan 8.370 nan 0.000 0.536 209 Y N 1.385 121.946 120.300 0.434 0.000 2.228 209 Y HA -0.166 4.384 4.550 0.001 0.000 0.285 209 Y C 2.004 177.998 175.900 0.156 0.000 1.178 209 Y CA 1.189 59.488 58.100 0.333 0.000 1.202 209 Y CB -0.048 38.731 38.460 0.531 0.000 0.974 209 Y HN 0.431 nan 8.280 nan 0.000 0.527 210 L N -0.704 120.819 121.223 0.499 0.000 2.627 210 L HA 0.284 4.625 4.340 0.001 0.000 0.232 210 L C 0.442 177.580 176.870 0.446 0.000 1.150 210 L CA -0.125 55.024 54.840 0.515 0.000 0.917 210 L CB -0.435 41.840 42.059 0.360 0.000 1.104 210 L HN 0.100 nan 8.230 nan 0.000 0.445 211 A N 0.427 123.455 122.820 0.347 0.000 2.459 211 A HA 0.529 4.850 4.320 0.001 0.000 0.296 211 A C -0.296 177.464 177.584 0.293 0.000 1.039 211 A CA -0.619 51.605 52.037 0.312 0.000 0.698 211 A CB 1.324 20.451 19.000 0.211 0.000 1.261 211 A HN -0.041 nan 8.150 nan 0.000 0.405 212 I N 2.407 123.175 120.570 0.330 0.000 2.775 212 I HA -0.017 4.154 4.170 0.001 0.000 0.290 212 I C 0.812 177.045 176.117 0.194 0.000 1.203 212 I CA 0.325 61.783 61.300 0.264 0.000 1.433 212 I CB 0.095 38.227 38.000 0.219 0.000 1.354 212 I HN 0.761 nan 8.210 nan 0.000 0.579 213 D N 8.294 128.800 120.400 0.176 0.000 2.472 213 D HA 0.007 4.647 4.640 0.001 0.000 0.237 213 D C -1.746 174.550 176.300 -0.007 0.000 1.141 213 D CA -1.094 52.931 54.000 0.042 0.000 0.875 213 D CB 1.758 42.499 40.800 -0.098 0.000 1.192 213 D HN 0.218 nan 8.370 nan 0.000 0.450 214 P HA -0.229 nan 4.420 nan 0.000 0.211 214 P C 1.268 178.512 177.300 -0.094 0.000 1.181 214 P CA 2.193 65.267 63.100 -0.043 0.000 0.929 214 P CB -0.140 31.528 31.700 -0.054 0.000 0.789 215 Q N -1.759 117.906 119.800 -0.225 0.000 2.458 215 Q HA -0.206 4.135 4.340 0.001 0.000 0.215 215 Q C 1.163 177.071 176.000 -0.153 0.000 0.989 215 Q CA 1.587 57.226 55.803 -0.272 0.000 0.895 215 Q CB -0.821 27.648 28.738 -0.448 0.000 0.934 215 Q HN 0.194 nan 8.270 nan 0.000 0.475 216 F N -0.303 119.626 119.950 -0.034 0.000 2.505 216 F HA 0.466 4.993 4.527 0.001 0.000 0.289 216 F C 1.465 177.255 175.800 -0.016 0.000 1.101 216 F CA 0.473 58.449 58.000 -0.039 0.000 1.446 216 F CB 0.567 39.523 39.000 -0.072 0.000 1.123 216 F HN 0.294 nan 8.300 nan 0.000 0.564 217 G N -0.510 108.402 108.800 0.186 0.000 2.455 217 G HA2 0.366 4.326 3.960 0.001 0.000 0.223 217 G HA3 0.366 4.326 3.960 0.001 0.000 0.223 217 G C -2.115 172.864 174.900 0.132 0.000 1.226 217 G CA -0.251 44.930 45.100 0.136 0.000 0.948 217 G HN 0.173 nan 8.290 nan 0.000 0.478 218 D N -1.506 118.983 120.400 0.148 0.000 2.596 218 D HA 0.533 5.174 4.640 0.001 0.000 0.262 218 D C 1.179 177.598 176.300 0.199 0.000 1.210 218 D CA -0.873 53.216 54.000 0.148 0.000 0.873 218 D CB 0.863 41.724 40.800 0.102 0.000 1.408 218 D HN 0.534 nan 8.370 nan 0.000 0.441 219 L N -0.137 121.196 121.223 0.184 0.000 2.129 219 L HA -0.028 4.313 4.340 0.001 0.000 0.212 219 L C -1.017 175.976 176.870 0.205 0.000 1.087 219 L CA 2.218 57.180 54.840 0.203 0.000 0.757 219 L CB -1.689 40.455 42.059 0.142 0.000 0.896 219 L HN 0.401 nan 8.230 nan 0.000 0.434 220 P HA -0.078 nan 4.420 nan 0.000 0.214 220 P C 1.664 179.028 177.300 0.107 0.000 1.162 220 P CA 1.674 64.837 63.100 0.106 0.000 0.874 220 P CB -0.029 31.715 31.700 0.072 0.000 0.784 221 T N -1.005 113.616 114.554 0.112 0.000 2.833 221 T HA -0.155 4.195 4.350 0.001 0.000 0.269 221 T C 1.489 176.250 174.700 0.102 0.000 1.054 221 T CA 0.987 63.138 62.100 0.085 0.000 1.135 221 T CB -0.971 67.947 68.868 0.082 0.000 0.869 221 T HN -0.019 nan 8.240 nan 0.000 0.466 222 F N 2.386 122.360 119.950 0.039 0.000 2.084 222 F HA -0.040 4.487 4.527 0.001 0.000 0.296 222 F C 2.487 178.305 175.800 0.030 0.000 1.111 222 F CA 1.161 59.185 58.000 0.039 0.000 1.224 222 F CB -0.138 38.943 39.000 0.135 0.000 0.991 222 F HN -0.133 nan 8.300 nan 0.000 0.471 223 R N 0.083 120.679 120.500 0.160 0.000 2.117 223 R HA -0.200 4.140 4.340 0.001 0.000 0.243 223 R C 2.404 178.678 176.300 -0.043 0.000 1.143 223 R CA 1.469 57.602 56.100 0.055 0.000 0.968 223 R CB -0.716 29.647 30.300 0.105 0.000 0.863 223 R HN 0.344 nan 8.270 nan 0.000 0.444 224 R N 0.674 121.157 120.500 -0.027 0.000 2.080 224 R HA -0.162 4.179 4.340 0.001 0.000 0.236 224 R C 2.378 178.611 176.300 -0.112 0.000 1.137 224 R CA 1.467 57.539 56.100 -0.047 0.000 0.943 224 R CB -0.417 29.869 30.300 -0.023 0.000 0.846 224 R HN 0.086 nan 8.270 nan 0.000 0.431 225 L N 0.722 121.839 121.223 -0.176 0.000 2.012 225 L HA -0.161 4.179 4.340 0.001 0.000 0.210 225 L C 2.095 178.771 176.870 -0.324 0.000 1.073 225 L CA 1.643 56.337 54.840 -0.243 0.000 0.748 225 L CB -0.501 41.364 42.059 -0.324 0.000 0.891 225 L HN 0.026 nan 8.230 nan 0.000 0.431 226 V N -0.220 119.428 119.914 -0.444 0.000 2.287 226 V HA -0.302 3.819 4.120 0.001 0.000 0.248 226 V C 2.364 178.217 176.094 -0.402 0.000 1.053 226 V CA 2.104 64.101 62.300 -0.504 0.000 1.027 226 V CB -0.979 30.616 31.823 -0.379 0.000 0.646 226 V HN 0.455 nan 8.190 nan 0.000 0.447 227 D N -0.394 119.911 120.400 -0.159 0.000 2.117 227 D HA -0.129 4.512 4.640 0.001 0.000 0.198 227 D C 2.299 178.572 176.300 -0.045 0.000 0.982 227 D CA 1.027 55.009 54.000 -0.029 0.000 0.828 227 D CB -0.093 40.704 40.800 -0.005 0.000 0.967 227 D HN 0.398 nan 8.370 nan 0.000 0.464 228 E N 0.479 120.628 120.200 -0.086 0.000 2.208 228 E HA -0.041 4.309 4.350 0.001 0.000 0.193 228 E C 1.908 178.462 176.600 -0.078 0.000 0.988 228 E CA 0.307 56.666 56.400 -0.067 0.000 0.828 228 E CB 0.043 29.704 29.700 -0.066 0.000 0.763 228 E HN 0.184 nan 8.360 nan 0.000 0.478 229 A N 0.072 122.807 122.820 -0.142 0.000 1.898 229 A HA -0.119 4.202 4.320 0.001 0.000 0.214 229 A C 1.844 179.370 177.584 -0.096 0.000 1.183 229 A CA 1.157 53.106 52.037 -0.148 0.000 0.622 229 A CB -0.705 18.154 19.000 -0.235 0.000 0.824 229 A HN 0.288 nan 8.150 nan 0.000 0.444 230 H N 0.172 119.180 119.070 -0.103 0.000 2.267 230 H HA -0.150 4.406 4.556 0.001 0.000 0.297 230 H C 2.001 177.274 175.328 -0.092 0.000 1.080 230 H CA 1.456 57.437 56.048 -0.111 0.000 1.278 230 H CB -0.095 29.605 29.762 -0.104 0.000 1.365 230 H HN 0.559 nan 8.280 nan 0.000 0.489 231 R N 1.230 121.769 120.500 0.066 0.000 2.395 231 R HA -0.039 4.301 4.340 0.001 0.000 0.202 231 R C 0.843 177.136 176.300 -0.012 0.000 1.088 231 R CA 0.863 56.969 56.100 0.010 0.000 1.090 231 R CB -0.045 30.256 30.300 0.001 0.000 0.876 231 R HN 0.298 nan 8.270 nan 0.000 0.477 232 R N -0.243 120.247 120.500 -0.016 0.000 2.572 232 R HA 0.132 4.472 4.340 0.001 0.000 0.370 232 R C 0.273 176.546 176.300 -0.046 0.000 1.005 232 R CA 0.325 56.405 56.100 -0.033 0.000 1.146 232 R CB 1.357 31.636 30.300 -0.035 0.000 1.390 232 R HN 0.497 nan 8.270 nan 0.000 0.553 233 G N 1.767 110.541 108.800 -0.044 0.000 2.155 233 G HA2 -0.278 3.683 3.960 0.001 0.000 0.257 233 G HA3 -0.278 3.683 3.960 0.001 0.000 0.257 233 G C 0.111 174.967 174.900 -0.073 0.000 0.983 233 G CA 0.305 45.366 45.100 -0.065 0.000 0.676 233 G HN 0.266 nan 8.290 nan 0.000 0.528 234 I N 0.084 120.616 120.570 -0.064 0.000 2.404 234 I HA 0.464 4.635 4.170 0.001 0.000 0.293 234 I C 0.523 176.578 176.117 -0.104 0.000 0.992 234 I CA -0.910 60.336 61.300 -0.089 0.000 1.149 234 I CB 1.655 39.598 38.000 -0.094 0.000 1.315 234 I HN -0.086 nan 8.210 nan 0.000 0.446 235 K N 5.315 125.615 120.400 -0.166 0.000 2.267 235 K HA 0.659 4.979 4.320 0.001 0.000 0.236 235 K C -0.922 175.571 176.600 -0.177 0.000 1.030 235 K CA -0.944 55.221 56.287 -0.203 0.000 0.930 235 K CB 1.724 33.924 32.500 -0.499 0.000 1.182 235 K HN 0.342 nan 8.250 nan 0.000 0.474 236 I N 2.765 123.254 120.570 -0.135 0.000 2.448 236 I HA 0.271 4.441 4.170 0.001 0.000 0.281 236 I C -0.620 175.506 176.117 0.016 0.000 1.027 236 I CA -0.635 60.622 61.300 -0.072 0.000 1.111 236 I CB 0.974 38.925 38.000 -0.081 0.000 1.236 236 I HN 0.405 nan 8.210 nan 0.000 0.452 237 I N 6.455 127.065 120.570 0.066 0.000 2.392 237 I HA 0.483 4.653 4.170 0.001 0.000 0.295 237 I C 0.128 176.329 176.117 0.140 0.000 0.985 237 I CA -0.593 60.802 61.300 0.159 0.000 1.221 237 I CB 1.836 40.082 38.000 0.411 0.000 1.366 237 I HN 0.295 nan 8.210 nan 0.000 0.467 238 L N 4.016 125.248 121.223 0.014 0.000 2.333 238 L HA 0.428 4.769 4.340 0.001 0.000 0.269 238 L C -0.234 176.695 176.870 0.097 0.000 1.010 238 L CA -0.910 53.917 54.840 -0.023 0.000 0.818 238 L CB 2.167 44.089 42.059 -0.229 0.000 1.306 238 L HN 0.421 nan 8.230 nan 0.000 0.430 239 D N 2.083 122.490 120.400 0.011 0.000 2.336 239 D HA 0.341 4.981 4.640 0.001 0.000 0.249 239 D C -0.279 176.037 176.300 0.027 0.000 1.213 239 D CA 0.156 54.200 54.000 0.073 0.000 0.870 239 D CB 1.523 42.327 40.800 0.006 0.000 1.076 239 D HN 0.538 nan 8.370 nan 0.000 0.483 240 A N 3.692 126.568 122.820 0.093 0.000 2.253 240 A HA 0.382 4.703 4.320 0.001 0.000 0.316 240 A C -0.096 177.343 177.584 -0.242 0.000 1.327 240 A CA -0.654 51.341 52.037 -0.069 0.000 0.917 240 A CB 0.664 19.338 19.000 -0.543 0.000 1.162 240 A HN 0.351 nan 8.150 nan 0.000 0.535 241 V N 4.947 124.898 119.914 0.062 0.000 2.221 241 V HA 0.135 4.256 4.120 0.001 0.000 0.258 241 V C 0.214 176.452 176.094 0.238 0.000 1.179 241 V CA 0.021 62.336 62.300 0.026 0.000 1.022 241 V CB -0.813 30.992 31.823 -0.030 0.000 1.228 241 V HN 0.865 nan 8.190 nan 0.000 0.487 242 F N 1.808 121.687 119.950 -0.120 0.000 2.530 242 F HA 0.065 4.592 4.527 0.001 0.000 0.292 242 F C 2.147 177.740 175.800 -0.345 0.000 1.109 242 F CA 0.411 58.252 58.000 -0.265 0.000 1.450 242 F CB -0.937 37.850 39.000 -0.356 0.000 1.114 242 F HN 0.499 nan 8.300 nan 0.000 0.560 243 N N 0.428 119.068 118.700 -0.100 0.000 2.037 243 N HA -0.206 4.534 4.740 0.001 0.000 0.196 243 N C 0.411 175.880 175.510 -0.068 0.000 1.034 243 N CA 1.986 54.965 53.050 -0.118 0.000 0.861 243 N CB -0.195 38.261 38.487 -0.050 0.000 1.039 243 N HN 0.485 nan 8.380 nan 0.000 0.427 244 H N -2.953 116.081 119.070 -0.060 0.000 2.908 244 H HA 0.828 5.385 4.556 0.001 0.000 0.350 244 H C -1.099 174.213 175.328 -0.027 0.000 1.217 244 H CA -0.713 55.301 56.048 -0.056 0.000 1.168 244 H CB 1.217 30.939 29.762 -0.067 0.000 1.891 244 H HN 0.128 nan 8.280 nan 0.000 0.566 245 A N 0.169 123.107 122.820 0.196 0.000 2.443 245 A HA 0.795 5.115 4.320 0.001 0.000 0.278 245 A C 0.101 177.783 177.584 0.163 0.000 1.252 245 A CA -0.694 51.404 52.037 0.101 0.000 0.816 245 A CB 0.862 19.770 19.000 -0.153 0.000 1.369 245 A HN 1.118 nan 8.150 nan 0.000 0.446 246 G N -0.739 108.121 108.800 0.100 0.000 2.400 246 G HA2 0.429 4.389 3.960 0.001 0.000 0.301 246 G HA3 0.429 4.389 3.960 0.001 0.000 0.301 246 G C -0.052 174.930 174.900 0.137 0.000 1.154 246 G CA 0.286 45.456 45.100 0.116 0.000 0.852 246 G HN 0.778 nan 8.290 nan 0.000 0.511 247 D N 0.232 120.671 120.400 0.066 0.000 2.392 247 D HA -0.097 4.543 4.640 0.001 0.000 0.228 247 D C 1.378 177.887 176.300 0.349 0.000 1.003 247 D CA 0.664 54.728 54.000 0.107 0.000 0.917 247 D CB 0.409 41.280 40.800 0.118 0.000 0.890 247 D HN 0.271 nan 8.370 nan 0.000 0.532 248 Q N -0.749 119.227 119.800 0.293 0.000 2.282 248 Q HA 0.132 4.472 4.340 0.001 0.000 0.206 248 Q C -0.096 176.123 176.000 0.364 0.000 0.878 248 Q CA -0.448 55.524 55.803 0.282 0.000 0.944 248 Q CB -0.033 28.829 28.738 0.207 0.000 1.100 248 Q HN 0.354 nan 8.270 nan 0.000 0.509 249 F N 2.404 122.501 119.950 0.244 0.000 2.623 249 F HA -0.170 4.357 4.527 0.001 0.000 0.386 249 F C 1.237 177.181 175.800 0.239 0.000 1.068 249 F CA -0.746 57.416 58.000 0.270 0.000 1.265 249 F CB 0.221 39.410 39.000 0.315 0.000 1.026 249 F HN 0.091 nan 8.300 nan 0.000 0.568 250 F N 5.135 124.996 119.950 -0.149 0.000 2.065 250 F HA -0.143 4.385 4.527 0.001 0.000 0.298 250 F C 1.876 177.398 175.800 -0.463 0.000 1.112 250 F CA 1.759 59.605 58.000 -0.258 0.000 1.212 250 F CB -1.429 37.438 39.000 -0.221 0.000 0.975 250 F HN 0.436 nan 8.300 nan 0.000 0.476 251 A N 0.580 121.960 122.820 -2.401 0.000 1.892 251 A HA -0.195 4.125 4.320 0.001 0.000 0.218 251 A C 2.221 179.557 177.584 -0.414 0.000 1.188 251 A CA 1.929 52.886 52.037 -1.799 0.000 0.631 251 A CB -1.734 16.189 19.000 -1.796 0.000 0.822 251 A HN 0.596 nan 8.150 nan 0.000 0.447 252 F N 0.219 120.101 119.950 -0.114 0.000 2.031 252 F HA -0.149 4.378 4.527 0.001 0.000 0.295 252 F C 2.355 178.073 175.800 -0.136 0.000 1.133 252 F CA 2.142 60.049 58.000 -0.155 0.000 1.188 252 F CB -0.493 38.479 39.000 -0.047 0.000 0.974 252 F HN 0.185 nan 8.300 nan 0.000 0.473 253 R N 0.116 120.609 120.500 -0.012 0.000 2.226 253 R HA -0.251 4.089 4.340 0.001 0.000 0.246 253 R C 1.840 178.045 176.300 -0.159 0.000 1.161 253 R CA 1.917 57.972 56.100 -0.076 0.000 0.997 253 R CB -0.640 29.713 30.300 0.090 0.000 0.870 253 R HN 0.477 nan 8.270 nan 0.000 0.465 254 D N -1.091 119.216 120.400 -0.154 0.000 2.103 254 D HA -0.096 4.544 4.640 0.001 0.000 0.199 254 D C 1.664 177.890 176.300 -0.124 0.000 0.978 254 D CA 1.037 54.988 54.000 -0.082 0.000 0.829 254 D CB 0.181 40.982 40.800 0.001 0.000 0.981 254 D HN 0.033 nan 8.370 nan 0.000 0.464 255 V N 0.659 120.447 119.914 -0.209 0.000 2.568 255 V HA -0.192 3.928 4.120 0.001 0.000 0.253 255 V C 2.420 178.369 176.094 -0.243 0.000 1.072 255 V CA 1.070 63.259 62.300 -0.185 0.000 1.084 255 V CB -0.422 31.247 31.823 -0.257 0.000 0.676 255 V HN 0.344 nan 8.190 nan 0.000 0.469 256 L N -0.899 120.086 121.223 -0.396 0.000 2.179 256 L HA -0.123 4.217 4.340 0.001 0.000 0.208 256 L C 2.368 179.155 176.870 -0.140 0.000 1.096 256 L CA 1.057 55.719 54.840 -0.297 0.000 0.779 256 L CB -0.245 41.625 42.059 -0.314 0.000 0.922 256 L HN 0.366 nan 8.230 nan 0.000 0.443 257 Q N 0.570 120.301 119.800 -0.115 0.000 1.868 257 Q HA -0.087 4.253 4.340 0.001 0.000 0.233 257 Q C 2.060 178.028 176.000 -0.052 0.000 0.967 257 Q CA 1.365 57.131 55.803 -0.062 0.000 0.863 257 Q CB -0.011 28.702 28.738 -0.042 0.000 0.907 257 Q HN 0.060 nan 8.270 nan 0.000 0.442 258 K N -0.168 120.204 120.400 -0.048 0.000 2.059 258 K HA -0.069 4.252 4.320 0.001 0.000 0.212 258 K C 1.127 177.687 176.600 -0.067 0.000 1.050 258 K CA 0.953 57.209 56.287 -0.052 0.000 0.927 258 K CB -0.570 31.901 32.500 -0.048 0.000 0.714 258 K HN 0.518 nan 8.250 nan 0.000 0.447 259 G N 0.907 109.680 108.800 -0.045 0.000 2.498 259 G HA2 -0.352 3.608 3.960 0.001 0.000 0.251 259 G HA3 -0.352 3.608 3.960 0.001 0.000 0.251 259 G C 0.389 175.171 174.900 -0.198 0.000 1.170 259 G CA 0.317 45.404 45.100 -0.022 0.000 0.944 259 G HN 0.343 nan 8.290 nan 0.000 0.567 260 E N 0.892 120.734 120.200 -0.597 0.000 2.396 260 E HA -0.125 4.225 4.350 0.001 0.000 0.200 260 E C 2.456 178.872 176.600 -0.308 0.000 1.023 260 E CA 1.275 57.255 56.400 -0.700 0.000 0.857 260 E CB -0.060 29.172 29.700 -0.780 0.000 0.775 260 E HN 0.455 nan 8.360 nan 0.000 0.525 261 Q N 0.115 119.786 119.800 -0.215 0.000 2.311 261 Q HA 0.022 4.363 4.340 0.001 0.000 0.203 261 Q C 1.188 177.115 176.000 -0.123 0.000 0.954 261 Q CA 0.268 55.984 55.803 -0.144 0.000 0.885 261 Q CB -0.051 28.619 28.738 -0.113 0.000 0.963 261 Q HN 0.018 nan 8.270 nan 0.000 0.471 262 S N 0.991 116.628 115.700 -0.105 0.000 2.560 262 S HA 0.038 4.509 4.470 0.001 0.000 0.284 262 S C 1.052 175.544 174.600 -0.179 0.000 1.327 262 S CA -0.336 57.808 58.200 -0.094 0.000 1.055 262 S CB 0.793 63.987 63.200 -0.010 0.000 0.868 262 S HN 0.097 nan 8.310 nan 0.000 0.506 263 R N 2.546 122.824 120.500 -0.369 0.000 2.323 263 R HA 0.050 4.390 4.340 0.001 0.000 0.198 263 R C -0.114 175.728 176.300 -0.762 0.000 0.988 263 R CA 0.789 56.549 56.100 -0.566 0.000 1.041 263 R CB -0.245 29.605 30.300 -0.750 0.000 0.926 263 R HN 0.812 nan 8.270 nan 0.000 0.476 264 Y N -0.212 119.892 120.300 -0.326 0.000 2.636 264 Y HA 0.126 4.677 4.550 0.001 0.000 0.260 264 Y C 1.667 177.572 175.900 0.009 0.000 1.177 264 Y CA -0.441 57.337 58.100 -0.538 0.000 1.209 264 Y CB 0.391 38.391 38.460 -0.766 0.000 1.166 264 Y HN -0.032 nan 8.280 nan 0.000 0.531 265 K N -0.526 119.984 120.400 0.184 0.000 2.148 265 K HA -0.105 4.215 4.320 0.001 0.000 0.204 265 K C -0.099 176.751 176.600 0.418 0.000 1.050 265 K CA 1.675 58.175 56.287 0.356 0.000 0.942 265 K CB -0.041 32.625 32.500 0.277 0.000 0.724 265 K HN 0.084 nan 8.250 nan 0.000 0.446 266 D N -0.214 120.371 120.400 0.308 0.000 2.881 266 D HA 0.026 4.667 4.640 0.001 0.000 0.240 266 D C -0.411 176.116 176.300 0.378 0.000 1.249 266 D CA 0.004 54.165 54.000 0.268 0.000 0.839 266 D CB -0.050 40.850 40.800 0.167 0.000 1.042 266 D HN 0.358 nan 8.370 nan 0.000 0.475 267 W N -0.276 121.050 121.300 0.043 0.000 2.870 267 W HA 0.241 4.902 4.660 0.001 0.000 0.358 267 W C -0.210 175.912 176.519 -0.661 0.000 1.043 267 W CA -0.280 56.870 57.345 -0.325 0.000 1.692 267 W CB 0.280 29.480 29.460 -0.433 0.000 1.100 267 W HN -0.165 nan 8.180 nan 0.000 0.557 268 F N -1.646 118.490 119.950 0.309 0.000 2.692 268 F HA 0.421 4.948 4.527 0.001 0.000 0.320 268 F C -0.583 175.304 175.800 0.145 0.000 1.123 268 F CA -1.668 56.521 58.000 0.314 0.000 0.961 268 F CB 0.441 39.701 39.000 0.434 0.000 1.383 268 F HN -0.484 nan 8.300 nan 0.000 0.483 269 F N 2.200 122.343 119.950 0.322 0.000 2.441 269 F HA 0.436 4.964 4.527 0.001 0.000 0.337 269 F C 0.016 175.932 175.800 0.193 0.000 1.182 269 F CA -0.192 57.923 58.000 0.191 0.000 1.279 269 F CB 0.275 39.342 39.000 0.111 0.000 1.614 269 F HN 0.143 nan 8.300 nan 0.000 0.574 270 I N 1.593 122.323 120.570 0.267 0.000 2.472 270 I HA 0.086 4.257 4.170 0.001 0.000 0.290 270 I C 1.303 177.427 176.117 0.012 0.000 1.016 270 I CA 0.009 61.388 61.300 0.132 0.000 1.348 270 I CB 1.062 39.001 38.000 -0.102 0.000 1.417 270 I HN 0.505 nan 8.210 nan 0.000 0.521 271 E N 3.626 123.829 120.200 0.005 0.000 1.987 271 E HA -0.083 4.267 4.350 0.001 0.000 0.198 271 E C -0.371 176.173 176.600 -0.092 0.000 0.968 271 E CA 1.277 57.674 56.400 -0.004 0.000 0.867 271 E CB 0.162 29.872 29.700 0.016 0.000 0.819 271 E HN 0.657 nan 8.360 nan 0.000 0.516 272 D N -2.019 118.296 120.400 -0.141 0.000 2.689 272 D HA 0.374 5.014 4.640 0.001 0.000 0.255 272 D C -1.155 174.960 176.300 -0.308 0.000 1.113 272 D CA -0.511 53.439 54.000 -0.083 0.000 1.115 272 D CB 0.923 41.757 40.800 0.056 0.000 1.334 272 D HN -0.058 nan 8.370 nan 0.000 0.621 273 F N 0.125 120.069 119.950 -0.011 0.000 2.518 273 F HA 0.467 4.995 4.527 0.001 0.000 0.323 273 F C -1.837 173.940 175.800 -0.038 0.000 1.129 273 F CA -1.921 56.056 58.000 -0.039 0.000 0.920 273 F CB 0.345 39.320 39.000 -0.042 0.000 1.160 273 F HN 0.021 nan 8.300 nan 0.000 0.440 274 P HA 0.223 nan 4.420 nan 0.000 0.271 274 P C -1.097 176.140 177.300 -0.105 0.000 1.212 274 P CA -0.135 62.969 63.100 0.006 0.000 0.788 274 P CB 0.432 32.123 31.700 -0.016 0.000 0.865 275 V N -0.360 119.450 119.914 -0.174 0.000 3.012 275 V HA 0.370 4.491 4.120 0.001 0.000 0.307 275 V C -0.083 175.800 176.094 -0.352 0.000 1.166 275 V CA -0.856 61.240 62.300 -0.339 0.000 0.974 275 V CB 1.841 33.419 31.823 -0.407 0.000 1.040 275 V HN 0.697 nan 8.190 nan 0.000 0.428 276 S N 1.696 117.047 115.700 -0.581 0.000 3.766 276 S HA -0.138 4.333 4.470 0.001 0.000 0.416 276 S C 0.197 174.725 174.600 -0.121 0.000 0.902 276 S CA 0.645 58.631 58.200 -0.358 0.000 1.283 276 S CB -0.834 62.314 63.200 -0.086 0.000 0.891 276 S HN 0.753 nan 8.310 nan 0.000 0.556 277 K N 0.262 120.602 120.400 -0.100 0.000 2.132 277 K HA 0.242 4.562 4.320 0.001 0.000 0.240 277 K C 1.865 178.465 176.600 -0.000 0.000 1.036 277 K CA 0.056 56.320 56.287 -0.039 0.000 0.888 277 K CB 0.101 32.582 32.500 -0.031 0.000 1.071 277 K HN 0.285 nan 8.250 nan 0.000 0.502 278 T N -0.024 114.535 114.554 0.007 0.000 2.668 278 T HA -0.249 4.102 4.350 0.001 0.000 0.265 278 T C 1.718 176.436 174.700 0.030 0.000 1.041 278 T CA 2.364 64.476 62.100 0.019 0.000 1.160 278 T CB -0.156 68.719 68.868 0.013 0.000 0.857 278 T HN 0.656 nan 8.240 nan 0.000 0.455 279 S N -1.447 114.269 115.700 0.028 0.000 3.113 279 S HA 0.187 4.657 4.470 0.001 0.000 0.265 279 S C 0.550 175.179 174.600 0.048 0.000 1.079 279 S CA -0.448 57.775 58.200 0.038 0.000 0.892 279 S CB 0.045 63.257 63.200 0.021 0.000 0.880 279 S HN 0.375 nan 8.310 nan 0.000 0.444 280 R N 3.443 123.961 120.500 0.030 0.000 2.513 280 R HA 0.055 4.396 4.340 0.001 0.000 0.333 280 R C -0.577 175.755 176.300 0.054 0.000 0.925 280 R CA 0.962 57.081 56.100 0.032 0.000 1.072 280 R CB -0.131 30.177 30.300 0.013 0.000 0.914 280 R HN 0.417 nan 8.270 nan 0.000 0.408 281 T N 2.016 116.640 114.554 0.117 0.000 2.738 281 T HA 0.116 4.467 4.350 0.001 0.000 0.294 281 T C 0.270 175.100 174.700 0.216 0.000 0.914 281 T CA -0.626 61.639 62.100 0.275 0.000 1.052 281 T CB 0.246 69.320 68.868 0.342 0.000 0.897 281 T HN 0.634 nan 8.240 nan 0.000 0.522 282 N N 4.248 122.941 118.700 -0.011 0.000 3.091 282 N HA 0.277 5.017 4.740 0.001 0.000 0.301 282 N C -0.726 174.807 175.510 0.038 0.000 1.325 282 N CA -0.685 52.332 53.050 -0.054 0.000 1.143 282 N CB -0.101 38.281 38.487 -0.176 0.000 1.450 282 N HN 0.878 nan 8.380 nan 0.000 0.542 283 Y N -3.158 117.148 120.300 0.010 0.000 2.889 283 Y HA 0.212 4.762 4.550 0.001 0.000 0.379 283 Y C -1.564 174.376 175.900 0.067 0.000 1.179 283 Y CA -1.585 56.544 58.100 0.049 0.000 1.178 283 Y CB 0.700 39.214 38.460 0.090 0.000 1.460 283 Y HN -0.170 nan 8.280 nan 0.000 0.472 284 E N 1.728 122.015 120.200 0.145 0.000 2.289 284 E HA 0.390 4.740 4.350 0.001 0.000 0.278 284 E C -0.926 175.540 176.600 -0.224 0.000 1.032 284 E CA -0.197 56.193 56.400 -0.016 0.000 0.854 284 E CB 1.781 31.508 29.700 0.045 0.000 1.046 284 E HN 0.472 nan 8.360 nan 0.000 0.409 285 T N 2.534 116.938 114.554 -0.251 0.000 2.918 285 T HA 0.117 4.467 4.350 0.001 0.000 0.286 285 T C 0.769 175.364 174.700 -0.174 0.000 1.026 285 T CA -0.662 61.273 62.100 -0.275 0.000 1.031 285 T CB 0.561 69.253 68.868 -0.292 0.000 1.046 285 T HN 0.494 nan 8.240 nan 0.000 0.479 286 F N 1.568 121.361 119.950 -0.262 0.000 2.202 286 F HA 0.147 4.675 4.527 0.001 0.000 0.301 286 F C 1.120 176.816 175.800 -0.172 0.000 1.082 286 F CA 1.019 58.908 58.000 -0.184 0.000 1.313 286 F CB -0.645 38.270 39.000 -0.142 0.000 1.024 286 F HN 0.563 nan 8.300 nan 0.000 0.495 287 A N 0.714 122.747 122.820 -1.313 0.000 3.516 287 A HA 0.523 4.843 4.320 0.001 0.000 0.164 287 A C 1.623 178.895 177.584 -0.521 0.000 1.887 287 A CA 0.370 51.722 52.037 -1.142 0.000 0.978 287 A CB -0.543 17.674 19.000 -1.305 0.000 1.863 287 A HN 0.092 nan 8.150 nan 0.000 0.697 288 V N -0.113 119.566 119.914 -0.392 0.000 2.591 288 V HA -0.005 4.115 4.120 0.001 0.000 0.249 288 V C 1.465 177.452 176.094 -0.178 0.000 1.053 288 V CA 2.195 64.356 62.300 -0.231 0.000 1.068 288 V CB -0.599 31.118 31.823 -0.177 0.000 0.689 288 V HN 0.880 nan 8.190 nan 0.000 0.462 289 Q N -0.687 119.001 119.800 -0.187 0.000 2.429 289 Q HA 0.093 4.433 4.340 0.001 0.000 0.201 289 Q C -1.325 174.622 176.000 -0.088 0.000 0.599 289 Q CA -0.192 55.544 55.803 -0.112 0.000 1.049 289 Q CB -0.044 28.658 28.738 -0.060 0.000 1.424 289 Q HN 0.241 nan 8.270 nan 0.000 0.334 290 V N 2.874 122.707 119.914 -0.134 0.000 2.479 290 V HA 0.128 4.249 4.120 0.001 0.000 0.281 290 V C -1.567 174.507 176.094 -0.033 0.000 1.031 290 V CA -0.823 61.438 62.300 -0.063 0.000 1.038 290 V CB 0.969 32.783 31.823 -0.014 0.000 0.981 290 V HN 0.409 nan 8.190 nan 0.000 0.478 291 P HA -0.120 nan 4.420 nan 0.000 0.213 291 P C 1.411 178.763 177.300 0.087 0.000 1.170 291 P CA 1.598 64.769 63.100 0.118 0.000 0.893 291 P CB 0.123 31.890 31.700 0.110 0.000 0.784 292 A N -1.580 121.269 122.820 0.050 0.000 2.272 292 A HA -0.062 4.259 4.320 0.001 0.000 0.213 292 A C 1.048 178.599 177.584 -0.054 0.000 1.183 292 A CA 1.145 53.200 52.037 0.030 0.000 0.719 292 A CB -1.263 17.774 19.000 0.062 0.000 0.771 292 A HN 0.190 nan 8.150 nan 0.000 0.484 293 M N 1.119 120.633 119.600 -0.143 0.000 1.960 293 M HA 0.251 4.731 4.480 0.001 0.000 0.271 293 M C -2.987 173.120 176.300 -0.321 0.000 0.862 293 M CA -1.604 53.541 55.300 -0.258 0.000 0.854 293 M CB 2.631 34.922 32.600 -0.516 0.000 1.575 293 M HN -0.067 nan 8.290 nan 0.000 0.375 294 P HA 0.192 nan 4.420 nan 0.000 0.293 294 P C -1.001 176.304 177.300 0.010 0.000 1.300 294 P CA -0.384 62.454 63.100 -0.437 0.000 0.792 294 P CB 1.147 32.449 31.700 -0.665 0.000 0.925 295 K N 3.972 124.399 120.400 0.045 0.000 2.436 295 K HA 0.128 4.449 4.320 0.001 0.000 0.275 295 K C -0.472 176.274 176.600 0.242 0.000 0.999 295 K CA -0.200 56.160 56.287 0.121 0.000 0.980 295 K CB 0.115 32.591 32.500 -0.039 0.000 0.919 295 K HN 0.498 nan 8.250 nan 0.000 0.484 296 L N 4.937 126.205 121.223 0.074 0.000 2.264 296 L HA 0.288 4.628 4.340 0.001 0.000 0.289 296 L C 0.660 177.519 176.870 -0.019 0.000 1.044 296 L CA -0.537 54.254 54.840 -0.081 0.000 0.807 296 L CB 1.183 43.083 42.059 -0.266 0.000 1.192 296 L HN 0.652 nan 8.230 nan 0.000 0.425 297 R N 1.970 122.496 120.500 0.044 0.000 2.824 297 R HA -0.008 4.333 4.340 0.001 0.000 0.240 297 R C 0.981 177.204 176.300 -0.128 0.000 1.548 297 R CA 0.086 56.284 56.100 0.164 0.000 1.119 297 R CB 0.062 30.275 30.300 -0.145 0.000 1.189 297 R HN 0.778 nan 8.270 nan 0.000 0.596 298 T N -0.572 113.885 114.554 -0.162 0.000 3.098 298 T HA -0.063 4.287 4.350 0.001 0.000 0.266 298 T C 0.944 175.555 174.700 -0.148 0.000 1.145 298 T CA 0.838 62.750 62.100 -0.315 0.000 1.092 298 T CB 0.046 68.528 68.868 -0.644 0.000 0.908 298 T HN 0.603 nan 8.240 nan 0.000 0.526 299 E N 1.171 121.333 120.200 -0.063 0.000 2.299 299 E HA 0.047 4.397 4.350 0.001 0.000 0.193 299 E C 0.810 177.376 176.600 -0.058 0.000 0.998 299 E CA -0.171 56.218 56.400 -0.019 0.000 0.851 299 E CB 0.035 29.756 29.700 0.035 0.000 0.795 299 E HN 0.403 nan 8.360 nan 0.000 0.492 300 N N 1.724 120.355 118.700 -0.115 0.000 2.452 300 N HA -0.006 4.735 4.740 0.001 0.000 0.266 300 N C -2.015 173.396 175.510 -0.165 0.000 1.175 300 N CA -1.503 51.467 53.050 -0.132 0.000 0.945 300 N CB 1.245 39.620 38.487 -0.186 0.000 1.063 300 N HN -0.212 nan 8.380 nan 0.000 0.472 301 P HA -0.152 nan 4.420 nan 0.000 0.217 301 P C 0.560 177.797 177.300 -0.104 0.000 1.148 301 P CA 1.439 64.481 63.100 -0.098 0.000 0.834 301 P CB 0.393 32.074 31.700 -0.031 0.000 0.783 302 E N -0.799 119.369 120.200 -0.053 0.000 2.016 302 E HA -0.094 4.256 4.350 0.001 0.000 0.190 302 E C 2.074 178.498 176.600 -0.293 0.000 0.985 302 E CA 1.027 57.460 56.400 0.054 0.000 0.802 302 E CB -0.928 29.067 29.700 0.492 0.000 0.762 302 E HN 0.003 nan 8.360 nan 0.000 0.448 303 V N 2.190 121.617 119.914 -0.812 0.000 2.252 303 V HA -0.335 3.786 4.120 0.001 0.000 0.249 303 V C 2.527 178.303 176.094 -0.530 0.000 1.056 303 V CA 2.246 63.915 62.300 -1.051 0.000 1.022 303 V CB -0.555 30.675 31.823 -0.988 0.000 0.641 303 V HN 0.265 nan 8.190 nan 0.000 0.445 304 K N -0.106 120.044 120.400 -0.417 0.000 2.020 304 K HA -0.307 4.014 4.320 0.001 0.000 0.212 304 K C 2.184 178.356 176.600 -0.714 0.000 1.050 304 K CA 2.299 58.299 56.287 -0.478 0.000 0.929 304 K CB -0.207 31.994 32.500 -0.498 0.000 0.714 304 K HN 0.407 nan 8.250 nan 0.000 0.443 305 E N -0.274 119.668 120.200 -0.431 0.000 2.150 305 E HA -0.187 4.163 4.350 0.001 0.000 0.193 305 E C 1.739 178.322 176.600 -0.028 0.000 0.985 305 E CA 1.098 57.371 56.400 -0.212 0.000 0.814 305 E CB -0.384 29.277 29.700 -0.065 0.000 0.752 305 E HN 0.443 nan 8.360 nan 0.000 0.466 306 Y N 0.693 120.917 120.300 -0.127 0.000 2.070 306 Y HA -0.191 4.360 4.550 0.001 0.000 0.280 306 Y C 1.864 177.739 175.900 -0.042 0.000 1.148 306 Y CA 2.117 60.213 58.100 -0.007 0.000 1.125 306 Y CB -0.402 38.042 38.460 -0.026 0.000 0.975 306 Y HN 0.047 nan 8.280 nan 0.000 0.492 307 L N -1.299 119.978 121.223 0.090 0.000 2.083 307 L HA -0.218 4.123 4.340 0.001 0.000 0.209 307 L C 2.445 179.360 176.870 0.074 0.000 1.083 307 L CA 1.295 56.029 54.840 -0.176 0.000 0.752 307 L CB -0.845 40.785 42.059 -0.715 0.000 0.899 307 L HN 0.231 nan 8.230 nan 0.000 0.433 308 F N 0.377 120.271 119.950 -0.094 0.000 2.269 308 F HA -0.229 4.299 4.527 0.001 0.000 0.301 308 F C 2.245 178.062 175.800 0.029 0.000 1.082 308 F CA 0.363 58.349 58.000 -0.023 0.000 1.360 308 F CB -0.065 38.890 39.000 -0.074 0.000 1.041 308 F HN 0.193 nan 8.300 nan 0.000 0.512 309 D N -0.072 120.440 120.400 0.188 0.000 2.137 309 D HA -0.106 4.534 4.640 0.001 0.000 0.202 309 D C 2.349 178.761 176.300 0.186 0.000 0.970 309 D CA 0.861 54.926 54.000 0.109 0.000 0.837 309 D CB -0.422 40.353 40.800 -0.041 0.000 0.981 309 D HN -0.004 nan 8.370 nan 0.000 0.475 310 V N 1.341 121.370 119.914 0.192 0.000 2.568 310 V HA -0.239 3.881 4.120 0.001 0.000 0.253 310 V C 2.348 178.825 176.094 0.640 0.000 1.072 310 V CA 1.703 64.262 62.300 0.432 0.000 1.084 310 V CB -0.665 31.418 31.823 0.434 0.000 0.676 310 V HN 0.168 nan 8.190 nan 0.000 0.469 311 A N 0.053 123.154 122.820 0.468 0.000 1.840 311 A HA -0.139 4.182 4.320 0.001 0.000 0.214 311 A C 2.387 180.300 177.584 0.547 0.000 1.198 311 A CA 1.341 53.682 52.037 0.507 0.000 0.608 311 A CB -0.461 18.675 19.000 0.227 0.000 0.839 311 A HN 0.444 nan 8.150 nan 0.000 0.443 312 R N -1.440 119.259 120.500 0.333 0.000 2.105 312 R HA -0.136 4.204 4.340 0.001 0.000 0.239 312 R C 2.097 178.586 176.300 0.315 0.000 1.135 312 R CA 1.581 57.843 56.100 0.269 0.000 0.967 312 R CB -0.636 29.764 30.300 0.168 0.000 0.861 312 R HN 0.700 nan 8.270 nan 0.000 0.442 313 F N 0.285 120.301 119.950 0.109 0.000 2.026 313 F HA -0.298 4.230 4.527 0.001 0.000 0.296 313 F C 1.703 177.447 175.800 -0.092 0.000 1.133 313 F CA 1.343 59.294 58.000 -0.082 0.000 1.188 313 F CB -0.291 38.550 39.000 -0.265 0.000 0.968 313 F HN 0.001 nan 8.300 nan 0.000 0.476 314 W N 0.697 121.975 121.300 -0.037 0.000 2.364 314 W HA -0.188 4.472 4.660 0.001 0.000 0.281 314 W C 2.281 178.848 176.519 0.080 0.000 1.219 314 W CA 1.037 58.305 57.345 -0.127 0.000 1.220 314 W CB -0.440 29.098 29.460 0.131 0.000 1.127 314 W HN 0.084 nan 8.180 nan 0.000 0.556 315 M N -0.626 119.206 119.600 0.387 0.000 2.419 315 M HA -0.084 4.396 4.480 0.001 0.000 0.264 315 M C 1.706 178.130 176.300 0.206 0.000 1.082 315 M CA 1.123 56.599 55.300 0.293 0.000 1.119 315 M CB -0.273 32.527 32.600 0.334 0.000 1.398 315 M HN -0.151 nan 8.290 nan 0.000 0.453 316 E N 0.724 121.035 120.200 0.186 0.000 2.204 316 E HA -0.150 4.200 4.350 0.001 0.000 0.194 316 E C 1.739 178.422 176.600 0.139 0.000 0.989 316 E CA 1.033 57.525 56.400 0.153 0.000 0.824 316 E CB 0.115 29.922 29.700 0.179 0.000 0.756 316 E HN 0.385 nan 8.360 nan 0.000 0.477 317 Q N -0.925 118.962 119.800 0.144 0.000 2.444 317 Q HA 0.141 4.482 4.340 0.001 0.000 0.206 317 Q C 0.860 176.978 176.000 0.196 0.000 0.948 317 Q CA 0.782 56.694 55.803 0.181 0.000 0.946 317 Q CB 0.433 29.333 28.738 0.271 0.000 1.027 317 Q HN 0.311 nan 8.270 nan 0.000 0.513 318 G N 2.294 111.206 108.800 0.186 0.000 2.204 318 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 318 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 318 G C 0.120 175.158 174.900 0.231 0.000 1.062 318 G CA 0.334 45.554 45.100 0.201 0.000 0.798 318 G HN 0.527 nan 8.290 nan 0.000 0.496 319 I N -2.753 117.923 120.570 0.177 0.000 2.532 319 I HA 0.519 4.689 4.170 0.001 0.000 0.292 319 I C 0.525 176.677 176.117 0.057 0.000 1.014 319 I CA -0.803 60.556 61.300 0.098 0.000 1.340 319 I CB 0.966 38.998 38.000 0.054 0.000 1.422 319 I HN -0.021 nan 8.210 nan 0.000 0.528 320 D N 4.540 124.962 120.400 0.036 0.000 2.328 320 D HA 0.284 4.924 4.640 0.001 0.000 0.226 320 D C 0.640 177.041 176.300 0.169 0.000 1.066 320 D CA 0.356 54.384 54.000 0.047 0.000 0.861 320 D CB 0.693 41.405 40.800 -0.146 0.000 0.912 320 D HN 0.911 nan 8.370 nan 0.000 0.521 321 G N 0.314 109.129 108.800 0.024 0.000 2.321 321 G HA2 0.267 4.227 3.960 0.001 0.000 0.298 321 G HA3 0.267 4.227 3.960 0.001 0.000 0.298 321 G C -2.249 172.557 174.900 -0.157 0.000 1.385 321 G CA -1.170 43.982 45.100 0.088 0.000 0.856 321 G HN 0.042 nan 8.290 nan 0.000 0.584 322 W N -0.159 121.283 121.300 0.238 0.000 2.761 322 W HA 0.812 5.472 4.660 0.001 0.000 0.340 322 W C 0.115 176.635 176.519 0.001 0.000 1.072 322 W CA -0.963 56.483 57.345 0.168 0.000 1.215 322 W CB 1.953 31.558 29.460 0.242 0.000 1.420 322 W HN 0.419 nan 8.180 nan 0.000 0.519 323 R N 3.124 123.740 120.500 0.193 0.000 2.275 323 R HA 0.420 4.761 4.340 0.001 0.000 0.326 323 R C -1.216 174.994 176.300 -0.150 0.000 0.973 323 R CA -0.722 55.311 56.100 -0.111 0.000 0.854 323 R CB 0.439 30.749 30.300 0.018 0.000 1.156 323 R HN 0.711 nan 8.270 nan 0.000 0.487 324 L N 4.434 125.408 121.223 -0.416 0.000 2.325 324 L HA 0.237 4.578 4.340 0.001 0.000 0.284 324 L C 1.045 177.653 176.870 -0.437 0.000 1.089 324 L CA -0.123 54.398 54.840 -0.532 0.000 0.836 324 L CB 0.352 41.804 42.059 -1.011 0.000 1.184 324 L HN 0.379 nan 8.230 nan 0.000 0.444 325 N N 3.013 121.553 118.700 -0.266 0.000 2.452 325 N HA 0.037 4.777 4.740 0.001 0.000 0.266 325 N C 0.434 175.827 175.510 -0.196 0.000 1.175 325 N CA -0.064 52.877 53.050 -0.181 0.000 0.945 325 N CB 1.075 39.517 38.487 -0.074 0.000 1.063 325 N HN 0.457 nan 8.380 nan 0.000 0.472 326 V N 2.745 122.531 119.914 -0.213 0.000 5.175 326 V HA -0.335 3.785 4.120 0.001 0.000 0.279 326 V C 1.745 177.751 176.094 -0.146 0.000 0.571 326 V CA 1.057 63.254 62.300 -0.172 0.000 0.694 326 V CB -2.560 29.219 31.823 -0.073 0.000 0.525 326 V HN 0.839 nan 8.190 nan 0.000 1.093 327 A N 1.862 124.512 122.820 -0.282 0.000 1.917 327 A HA -0.227 4.093 4.320 0.001 0.000 0.219 327 A C 1.904 179.446 177.584 -0.070 0.000 1.182 327 A CA 1.967 53.869 52.037 -0.225 0.000 0.633 327 A CB -0.468 17.936 19.000 -0.993 0.000 0.819 327 A HN 1.154 nan 8.150 nan 0.000 0.448 328 N N 0.213 118.669 118.700 -0.406 0.000 2.724 328 N HA -0.123 4.617 4.740 0.001 0.000 0.198 328 N C 0.290 175.847 175.510 0.078 0.000 1.301 328 N CA 1.141 53.949 53.050 -0.404 0.000 0.942 328 N CB -0.414 37.776 38.487 -0.495 0.000 1.033 328 N HN 0.696 nan 8.380 nan 0.000 0.447 329 E N -0.164 120.099 120.200 0.104 0.000 2.812 329 E HA 0.132 4.482 4.350 0.001 0.000 0.211 329 E C -0.746 175.876 176.600 0.036 0.000 0.986 329 E CA -0.281 56.175 56.400 0.092 0.000 1.119 329 E CB 1.163 30.879 29.700 0.028 0.000 1.046 329 E HN 0.236 nan 8.360 nan 0.000 0.474 330 V N 0.351 120.316 119.914 0.086 0.000 2.789 330 V HA 0.263 4.384 4.120 0.001 0.000 0.311 330 V C -1.081 174.971 176.094 -0.070 0.000 1.073 330 V CA -1.123 61.050 62.300 -0.212 0.000 0.921 330 V CB 1.848 33.204 31.823 -0.779 0.000 1.009 330 V HN 0.166 nan 8.190 nan 0.000 0.426 331 D N 3.515 123.890 120.400 -0.042 0.000 2.583 331 D HA -0.117 4.523 4.640 0.001 0.000 0.232 331 D C 0.710 177.169 176.300 0.265 0.000 1.128 331 D CA 0.534 54.631 54.000 0.162 0.000 0.859 331 D CB 0.480 41.352 40.800 0.120 0.000 1.169 331 D HN 0.795 nan 8.370 nan 0.000 0.481 332 H N 1.891 121.129 119.070 0.280 0.000 2.460 332 H HA -0.096 4.460 4.556 0.001 0.000 0.297 332 H C 2.117 177.607 175.328 0.269 0.000 1.103 332 H CA 2.019 58.267 56.048 0.335 0.000 1.292 332 H CB -0.216 29.637 29.762 0.151 0.000 1.376 332 H HN 0.668 nan 8.280 nan 0.000 0.531 333 A N 0.656 123.664 122.820 0.313 0.000 1.851 333 A HA -0.242 4.078 4.320 0.001 0.000 0.216 333 A C 2.209 179.955 177.584 0.270 0.000 1.195 333 A CA 1.746 53.920 52.037 0.228 0.000 0.622 333 A CB -1.204 17.892 19.000 0.161 0.000 0.831 333 A HN 0.436 nan 8.150 nan 0.000 0.444 334 F N -0.770 119.225 119.950 0.075 0.000 2.043 334 F HA -0.264 4.263 4.527 0.001 0.000 0.297 334 F C 2.190 178.141 175.800 0.252 0.000 1.121 334 F CA 2.074 60.110 58.000 0.059 0.000 1.199 334 F CB -0.686 38.129 39.000 -0.310 0.000 0.968 334 F HN 0.447 nan 8.300 nan 0.000 0.478 335 W N 0.444 122.076 121.300 0.553 0.000 2.350 335 W HA -0.189 4.471 4.660 0.001 0.000 0.289 335 W C 2.660 179.327 176.519 0.246 0.000 1.215 335 W CA 0.844 58.424 57.345 0.391 0.000 1.236 335 W CB -0.298 29.300 29.460 0.229 0.000 1.130 335 W HN -0.060 nan 8.180 nan 0.000 0.541 336 R N 0.258 121.007 120.500 0.415 0.000 2.062 336 R HA -0.105 4.235 4.340 0.001 0.000 0.229 336 R C 1.872 178.282 176.300 0.183 0.000 1.128 336 R CA 1.442 57.685 56.100 0.239 0.000 0.960 336 R CB -0.571 29.833 30.300 0.172 0.000 0.855 336 R HN 0.281 nan 8.270 nan 0.000 0.432 337 E N 0.042 120.353 120.200 0.186 0.000 2.204 337 E HA -0.188 4.162 4.350 0.001 0.000 0.195 337 E C 1.615 178.137 176.600 -0.131 0.000 0.990 337 E CA 0.812 57.274 56.400 0.103 0.000 0.821 337 E CB -0.126 29.732 29.700 0.262 0.000 0.750 337 E HN 0.181 nan 8.360 nan 0.000 0.477 338 F N 2.035 121.820 119.950 -0.273 0.000 2.069 338 F HA -0.209 4.319 4.527 0.001 0.000 0.298 338 F C 2.471 178.146 175.800 -0.207 0.000 1.113 338 F CA 1.791 59.497 58.000 -0.489 0.000 1.214 338 F CB -0.155 38.866 39.000 0.036 0.000 0.978 338 F HN -0.208 nan 8.300 nan 0.000 0.474 339 R N 0.307 120.871 120.500 0.106 0.000 2.094 339 R HA -0.228 4.112 4.340 0.001 0.000 0.239 339 R C 2.610 178.869 176.300 -0.068 0.000 1.137 339 R CA 1.848 57.971 56.100 0.038 0.000 0.943 339 R CB -0.530 29.844 30.300 0.123 0.000 0.850 339 R HN 0.205 nan 8.270 nan 0.000 0.433 340 R N 0.804 121.273 120.500 -0.052 0.000 2.096 340 R HA -0.186 4.154 4.340 0.001 0.000 0.240 340 R C 2.327 178.560 176.300 -0.111 0.000 1.139 340 R CA 1.799 57.868 56.100 -0.052 0.000 0.952 340 R CB -0.621 29.665 30.300 -0.023 0.000 0.854 340 R HN 0.385 nan 8.270 nan 0.000 0.436 341 L N 0.255 121.335 121.223 -0.238 0.000 1.910 341 L HA -0.222 4.118 4.340 0.001 0.000 0.221 341 L C 2.407 179.142 176.870 -0.224 0.000 1.084 341 L CA 1.675 56.346 54.840 -0.282 0.000 0.779 341 L CB -0.744 40.979 42.059 -0.560 0.000 0.888 341 L HN 0.041 nan 8.230 nan 0.000 0.432 342 V N 0.481 120.175 119.914 -0.368 0.000 2.257 342 V HA -0.427 3.694 4.120 0.001 0.000 0.257 342 V C 2.674 178.746 176.094 -0.037 0.000 1.077 342 V CA 2.288 64.465 62.300 -0.204 0.000 1.063 342 V CB -0.805 30.827 31.823 -0.319 0.000 0.664 342 V HN 0.488 nan 8.190 nan 0.000 0.450 343 K N 0.302 120.681 120.400 -0.034 0.000 2.148 343 K HA -0.063 4.258 4.320 0.001 0.000 0.204 343 K C 2.444 179.061 176.600 0.028 0.000 1.050 343 K CA 1.608 57.912 56.287 0.029 0.000 0.942 343 K CB -0.665 31.860 32.500 0.041 0.000 0.724 343 K HN 0.749 nan 8.250 nan 0.000 0.446 344 S N 0.696 116.398 115.700 0.004 0.000 2.387 344 S HA -0.073 4.397 4.470 0.001 0.000 0.226 344 S C 1.857 176.473 174.600 0.026 0.000 1.026 344 S CA 0.493 58.703 58.200 0.016 0.000 0.972 344 S CB -0.318 62.885 63.200 0.005 0.000 0.814 344 S HN 0.146 nan 8.310 nan 0.000 0.477 345 L N 2.096 123.332 121.223 0.021 0.000 2.610 345 L HA 0.427 4.767 4.340 0.001 0.000 0.232 345 L C 0.161 177.071 176.870 0.066 0.000 1.149 345 L CA 0.489 55.355 54.840 0.043 0.000 0.872 345 L CB -0.967 41.118 42.059 0.042 0.000 0.992 345 L HN 0.621 nan 8.230 nan 0.000 0.447 346 N N -1.927 116.814 118.700 0.068 0.000 4.849 346 N HA 0.038 4.778 4.740 0.001 0.000 0.165 346 N C -2.550 173.022 175.510 0.103 0.000 1.128 346 N CA -0.456 52.647 53.050 0.089 0.000 1.014 346 N CB 0.993 39.548 38.487 0.113 0.000 1.597 346 N HN -0.299 nan 8.380 nan 0.000 0.955 347 P HA -0.006 nan 4.420 nan 0.000 0.220 347 P C -0.145 177.245 177.300 0.150 0.000 1.148 347 P CA 1.162 64.326 63.100 0.106 0.000 0.803 347 P CB 0.248 32.000 31.700 0.087 0.000 0.782 348 D N -1.483 119.033 120.400 0.193 0.000 2.349 348 D HA 0.169 4.809 4.640 0.001 0.000 0.214 348 D C 0.563 177.137 176.300 0.456 0.000 1.063 348 D CA -0.053 54.147 54.000 0.333 0.000 0.847 348 D CB -0.305 40.711 40.800 0.360 0.000 0.933 348 D HN 0.055 nan 8.370 nan 0.000 0.513 349 A N 0.615 123.619 122.820 0.306 0.000 2.462 349 A HA 0.352 4.673 4.320 0.001 0.000 0.243 349 A C -0.233 177.555 177.584 0.339 0.000 1.076 349 A CA -0.136 52.097 52.037 0.327 0.000 0.773 349 A CB 0.212 19.371 19.000 0.265 0.000 1.010 349 A HN 0.256 nan 8.150 nan 0.000 0.493 350 L N 2.761 124.217 121.223 0.389 0.000 2.317 350 L HA 0.627 4.968 4.340 0.001 0.000 0.281 350 L C -0.634 176.402 176.870 0.275 0.000 1.024 350 L CA -0.133 54.868 54.840 0.269 0.000 0.810 350 L CB 1.258 43.464 42.059 0.244 0.000 1.240 350 L HN 0.586 nan 8.230 nan 0.000 0.427 351 I N 5.943 126.636 120.570 0.204 0.000 2.359 351 I HA 0.337 4.508 4.170 0.001 0.000 0.284 351 I C -0.890 175.201 176.117 -0.045 0.000 1.018 351 I CA -0.643 60.775 61.300 0.196 0.000 1.173 351 I CB 1.458 39.640 38.000 0.303 0.000 1.326 351 I HN 0.231 nan 8.210 nan 0.000 0.462 352 V N 5.495 125.258 119.914 -0.253 0.000 2.398 352 V HA 0.589 4.709 4.120 0.001 0.000 0.286 352 V C 0.702 176.331 176.094 -0.775 0.000 1.026 352 V CA -0.470 61.472 62.300 -0.597 0.000 0.868 352 V CB 1.529 32.712 31.823 -1.067 0.000 0.982 352 V HN 0.819 nan 8.190 nan 0.000 0.443 353 G N 2.621 110.871 108.800 -0.917 0.000 2.434 353 G HA2 0.573 4.533 3.960 0.001 0.000 0.330 353 G HA3 0.573 4.533 3.960 0.001 0.000 0.330 353 G C -0.628 173.810 174.900 -0.770 0.000 1.155 353 G CA -0.317 44.018 45.100 -1.275 0.000 0.917 353 G HN 0.657 nan 8.290 nan 0.000 0.493 354 E N 1.386 121.190 120.200 -0.660 0.000 2.346 354 E HA 0.282 4.633 4.350 0.001 0.000 0.239 354 E C -0.830 175.623 176.600 -0.245 0.000 0.943 354 E CA -0.495 55.724 56.400 -0.302 0.000 0.751 354 E CB 0.486 30.057 29.700 -0.214 0.000 1.241 354 E HN 0.186 nan 8.360 nan 0.000 0.423 355 I N 3.051 123.500 120.570 -0.202 0.000 2.433 355 I HA 0.192 4.363 4.170 0.001 0.000 0.292 355 I C 0.543 176.545 176.117 -0.192 0.000 1.001 355 I CA -0.618 60.503 61.300 -0.299 0.000 1.119 355 I CB 1.204 38.940 38.000 -0.439 0.000 1.289 355 I HN 0.683 nan 8.210 nan 0.000 0.438 356 W N 5.395 126.295 121.300 -0.667 0.000 3.305 356 W HA 0.083 4.744 4.660 0.001 0.000 0.392 356 W C 0.158 176.207 176.519 -0.782 0.000 1.121 356 W CA -0.053 56.797 57.345 -0.826 0.000 1.909 356 W CB 0.374 29.515 29.460 -0.530 0.000 1.065 356 W HN 0.774 nan 8.180 nan 0.000 0.714 357 H N -3.415 115.514 119.070 -0.235 0.000 3.448 357 H HA 0.246 4.802 4.556 0.001 0.000 0.311 357 H C -0.740 174.735 175.328 0.246 0.000 1.666 357 H CA -0.977 55.082 56.048 0.018 0.000 1.221 357 H CB -0.243 29.578 29.762 0.098 0.000 1.749 357 H HN -0.363 nan 8.280 nan 0.000 0.659 358 D N -0.201 120.541 120.400 0.570 0.000 2.412 358 D HA 0.205 4.845 4.640 0.001 0.000 0.257 358 D C 0.495 177.178 176.300 0.638 0.000 1.217 358 D CA 0.468 54.778 54.000 0.516 0.000 0.897 358 D CB 0.657 41.654 40.800 0.329 0.000 1.132 358 D HN 0.717 nan 8.370 nan 0.000 0.493 359 A N 3.163 126.347 122.820 0.607 0.000 2.337 359 A HA 0.026 4.346 4.320 0.001 0.000 0.227 359 A C 2.028 179.802 177.584 0.316 0.000 1.259 359 A CA 0.596 52.954 52.037 0.535 0.000 0.870 359 A CB -0.397 18.734 19.000 0.218 0.000 0.927 359 A HN 0.589 nan 8.150 nan 0.000 0.497 360 S N 0.020 115.976 115.700 0.427 0.000 2.372 360 S HA -0.195 4.275 4.470 0.001 0.000 0.227 360 S C 2.043 176.680 174.600 0.062 0.000 1.044 360 S CA 1.763 60.144 58.200 0.301 0.000 1.050 360 S CB -1.300 62.103 63.200 0.339 0.000 0.901 360 S HN 0.727 nan 8.310 nan 0.000 0.447 361 G N 0.361 109.128 108.800 -0.054 0.000 2.442 361 G HA2 -0.177 3.783 3.960 0.001 0.000 0.219 361 G HA3 -0.177 3.783 3.960 0.001 0.000 0.219 361 G C 1.162 175.875 174.900 -0.312 0.000 1.141 361 G CA 0.788 45.726 45.100 -0.270 0.000 0.763 361 G HN 0.647 nan 8.290 nan 0.000 0.554 362 W N 0.068 121.321 121.300 -0.078 0.000 3.047 362 W HA 0.347 5.008 4.660 0.001 0.000 0.250 362 W C 0.621 176.921 176.519 -0.365 0.000 1.314 362 W CA -0.026 57.104 57.345 -0.358 0.000 1.540 362 W CB -0.113 29.022 29.460 -0.542 0.000 1.127 362 W HN 0.093 nan 8.180 nan 0.000 0.679 363 L N 0.701 121.880 121.223 -0.073 0.000 3.047 363 L HA 0.227 4.567 4.340 0.001 0.000 0.242 363 L C 0.757 177.531 176.870 -0.162 0.000 1.315 363 L CA -0.091 54.686 54.840 -0.105 0.000 1.042 363 L CB -0.210 41.719 42.059 -0.216 0.000 1.420 363 L HN -0.258 nan 8.230 nan 0.000 0.517 364 M N -0.284 119.119 119.600 -0.327 0.000 2.576 364 M HA 0.323 4.803 4.480 0.001 0.000 0.322 364 M C 1.368 177.211 176.300 -0.763 0.000 1.184 364 M CA 0.141 55.220 55.300 -0.369 0.000 0.967 364 M CB 0.875 33.358 32.600 -0.195 0.000 1.372 364 M HN 0.371 nan 8.290 nan 0.000 0.509 365 G N 0.599 108.438 108.800 -1.601 0.000 2.179 365 G HA2 -0.275 3.685 3.960 0.001 0.000 0.260 365 G HA3 -0.275 3.685 3.960 0.001 0.000 0.260 365 G C 0.513 175.009 174.900 -0.673 0.000 0.977 365 G CA 0.603 44.505 45.100 -1.997 0.000 0.641 365 G HN 0.610 nan 8.290 nan 0.000 0.533 366 D N -0.600 119.547 120.400 -0.421 0.000 2.431 366 D HA 0.252 4.892 4.640 0.001 0.000 0.213 366 D C 1.194 177.432 176.300 -0.103 0.000 1.130 366 D CA 0.579 54.469 54.000 -0.183 0.000 0.834 366 D CB 0.144 40.871 40.800 -0.121 0.000 0.985 366 D HN 0.549 nan 8.370 nan 0.000 0.504 367 Q N -0.761 118.940 119.800 -0.165 0.000 1.749 367 Q HA 0.314 4.654 4.340 0.001 0.000 0.148 367 Q C -0.206 175.759 176.000 -0.060 0.000 0.429 367 Q CA -0.378 55.329 55.803 -0.160 0.000 0.698 367 Q CB 0.835 29.336 28.738 -0.395 0.000 0.863 367 Q HN 0.076 nan 8.270 nan 0.000 0.272 368 F N 1.506 121.432 119.950 -0.040 0.000 2.370 368 F HA 0.201 4.728 4.527 0.001 0.000 0.319 368 F C 0.908 176.730 175.800 0.036 0.000 1.129 368 F CA -0.787 57.161 58.000 -0.086 0.000 1.109 368 F CB 0.713 39.578 39.000 -0.226 0.000 1.262 368 F HN 0.219 nan 8.300 nan 0.000 0.534 369 D N -0.294 120.244 120.400 0.231 0.000 2.301 369 D HA 0.032 4.673 4.640 0.001 0.000 0.206 369 D C 0.359 176.710 176.300 0.085 0.000 0.979 369 D CA 0.882 55.012 54.000 0.216 0.000 0.874 369 D CB 0.494 41.343 40.800 0.083 0.000 0.968 369 D HN 0.444 nan 8.370 nan 0.000 0.510 370 S N -0.879 114.808 115.700 -0.022 0.000 2.627 370 S HA 0.522 4.993 4.470 0.001 0.000 0.268 370 S C -0.921 173.512 174.600 -0.279 0.000 1.130 370 S CA -0.813 57.302 58.200 -0.142 0.000 0.819 370 S CB 1.554 64.647 63.200 -0.179 0.000 1.100 370 S HN -0.020 nan 8.310 nan 0.000 0.465 371 V N -1.706 118.028 119.914 -0.301 0.000 3.158 371 V HA 0.724 4.845 4.120 0.001 0.000 0.311 371 V C -0.300 175.599 176.094 -0.326 0.000 1.181 371 V CA -1.464 60.612 62.300 -0.373 0.000 1.054 371 V CB 1.612 33.287 31.823 -0.247 0.000 1.085 371 V HN 0.965 nan 8.190 nan 0.000 0.446 372 M N 3.045 122.474 119.600 -0.285 0.000 2.252 372 M HA 0.216 4.697 4.480 0.001 0.000 0.348 372 M C 0.198 176.443 176.300 -0.092 0.000 1.334 372 M CA 0.395 55.614 55.300 -0.136 0.000 1.071 372 M CB -0.933 31.673 32.600 0.010 0.000 1.763 372 M HN 0.883 nan 8.290 nan 0.000 0.452 373 N N 3.616 122.274 118.700 -0.070 0.000 2.968 373 N HA 0.018 4.759 4.740 0.001 0.000 0.271 373 N C 0.593 176.020 175.510 -0.139 0.000 1.174 373 N CA -0.103 52.885 53.050 -0.102 0.000 1.096 373 N CB -0.232 38.206 38.487 -0.083 0.000 1.403 373 N HN 0.519 nan 8.380 nan 0.000 0.522 374 Y N 0.643 120.718 120.300 -0.375 0.000 2.352 374 Y HA -0.052 4.499 4.550 0.001 0.000 0.292 374 Y C 1.305 177.069 175.900 -0.226 0.000 1.136 374 Y CA 0.389 58.184 58.100 -0.509 0.000 1.227 374 Y CB -0.094 37.551 38.460 -1.359 0.000 0.991 374 Y HN 0.179 nan 8.280 nan 0.000 0.545 375 L N 0.259 120.874 121.223 -1.013 0.000 2.056 375 L HA -0.125 4.216 4.340 0.001 0.000 0.207 375 L C 2.398 179.143 176.870 -0.209 0.000 1.078 375 L CA 1.365 55.806 54.840 -0.665 0.000 0.749 375 L CB -1.699 39.960 42.059 -0.667 0.000 0.901 375 L HN 0.469 nan 8.230 nan 0.000 0.433 376 F N 0.591 120.395 119.950 -0.243 0.000 2.126 376 F HA -0.248 4.280 4.527 0.001 0.000 0.299 376 F C 2.734 178.520 175.800 -0.024 0.000 1.096 376 F CA 1.776 59.716 58.000 -0.099 0.000 1.255 376 F CB -0.383 38.591 39.000 -0.043 0.000 0.997 376 F HN 0.019 nan 8.300 nan 0.000 0.479 377 R N 0.625 121.297 120.500 0.287 0.000 2.096 377 R HA -0.172 4.169 4.340 0.001 0.000 0.235 377 R C 2.124 178.459 176.300 0.058 0.000 1.127 377 R CA 2.000 58.208 56.100 0.181 0.000 0.968 377 R CB -0.411 30.028 30.300 0.233 0.000 0.861 377 R HN 0.481 nan 8.270 nan 0.000 0.440 378 E N -0.405 119.807 120.200 0.020 0.000 2.047 378 E HA -0.093 4.257 4.350 0.001 0.000 0.191 378 E C 1.988 178.579 176.600 -0.015 0.000 0.987 378 E CA 1.568 57.978 56.400 0.017 0.000 0.799 378 E CB 0.029 29.724 29.700 -0.008 0.000 0.752 378 E HN 0.235 nan 8.360 nan 0.000 0.449 379 S N 0.259 115.912 115.700 -0.077 0.000 2.419 379 S HA -0.109 4.361 4.470 0.001 0.000 0.233 379 S C 2.057 176.695 174.600 0.064 0.000 1.016 379 S CA 0.596 58.764 58.200 -0.053 0.000 0.974 379 S CB 0.009 63.082 63.200 -0.211 0.000 0.786 379 S HN 0.043 nan 8.310 nan 0.000 0.492 380 V N 1.708 121.607 119.914 -0.026 0.000 2.346 380 V HA -0.046 4.074 4.120 0.001 0.000 0.244 380 V C 2.063 178.302 176.094 0.242 0.000 1.037 380 V CA 1.209 63.560 62.300 0.085 0.000 1.029 380 V CB -0.433 31.279 31.823 -0.184 0.000 0.663 380 V HN 0.438 nan 8.190 nan 0.000 0.454 381 I N -0.246 120.467 120.570 0.237 0.000 2.179 381 I HA -0.273 3.897 4.170 0.001 0.000 0.242 381 I C 2.690 178.844 176.117 0.061 0.000 1.088 381 I CA 1.702 63.151 61.300 0.248 0.000 1.357 381 I CB -0.330 37.794 38.000 0.207 0.000 1.051 381 I HN 0.232 nan 8.210 nan 0.000 0.409 382 R N -0.601 119.913 120.500 0.023 0.000 2.189 382 R HA -0.139 4.201 4.340 0.001 0.000 0.218 382 R C 2.019 178.271 176.300 -0.079 0.000 1.074 382 R CA 1.095 57.177 56.100 -0.030 0.000 0.991 382 R CB -0.116 30.169 30.300 -0.025 0.000 0.883 382 R HN 0.286 nan 8.270 nan 0.000 0.457 383 F N -0.661 119.066 119.950 -0.373 0.000 2.243 383 F HA 0.124 4.651 4.527 0.001 0.000 0.287 383 F C 1.248 176.627 175.800 -0.702 0.000 1.067 383 F CA 0.874 58.445 58.000 -0.715 0.000 1.304 383 F CB -0.089 38.042 39.000 -1.447 0.000 1.087 383 F HN -0.186 nan 8.300 nan 0.000 0.513 384 F N -0.153 119.503 119.950 -0.490 0.000 2.262 384 F HA 0.217 4.744 4.527 0.001 0.000 0.292 384 F C 2.395 177.960 175.800 -0.392 0.000 1.081 384 F CA 0.788 58.469 58.000 -0.532 0.000 1.355 384 F CB -0.903 37.917 39.000 -0.300 0.000 1.069 384 F HN 0.045 nan 8.300 nan 0.000 0.506 385 A N 0.309 123.052 122.820 -0.129 0.000 1.844 385 A HA -0.085 4.236 4.320 0.001 0.000 0.212 385 A C 2.199 179.670 177.584 -0.188 0.000 1.221 385 A CA 1.853 53.738 52.037 -0.254 0.000 0.607 385 A CB -1.355 17.396 19.000 -0.415 0.000 0.878 385 A HN 0.322 nan 8.150 nan 0.000 0.451 386 T N -3.763 110.706 114.554 -0.142 0.000 2.985 386 T HA 0.337 4.688 4.350 0.001 0.000 0.266 386 T C 1.480 176.116 174.700 -0.106 0.000 1.076 386 T CA 1.270 63.307 62.100 -0.106 0.000 1.135 386 T CB -0.341 68.485 68.868 -0.071 0.000 0.890 386 T HN 1.825 nan 8.240 nan 0.000 0.480 387 G N 1.603 110.316 108.800 -0.145 0.000 2.160 387 G HA2 -0.284 3.677 3.960 0.001 0.000 0.251 387 G HA3 -0.284 3.677 3.960 0.001 0.000 0.251 387 G C 0.493 175.341 174.900 -0.085 0.000 1.008 387 G CA 0.454 45.466 45.100 -0.148 0.000 0.724 387 G HN 0.607 nan 8.290 nan 0.000 0.514 388 E N -0.662 119.495 120.200 -0.072 0.000 2.274 388 E HA 0.112 4.462 4.350 0.001 0.000 0.194 388 E C 1.476 178.049 176.600 -0.045 0.000 0.996 388 E CA 1.119 57.491 56.400 -0.046 0.000 0.840 388 E CB 0.091 29.767 29.700 -0.041 0.000 0.772 388 E HN 0.929 nan 8.360 nan 0.000 0.491 389 I N -1.694 118.841 120.570 -0.058 0.000 2.769 389 I HA 0.330 4.501 4.170 0.001 0.000 0.298 389 I C 0.053 176.152 176.117 -0.029 0.000 1.128 389 I CA -1.229 60.005 61.300 -0.110 0.000 1.031 389 I CB 1.862 39.763 38.000 -0.165 0.000 1.235 389 I HN -0.149 nan 8.210 nan 0.000 0.423 390 H N 3.968 123.065 119.070 0.045 0.000 2.505 390 H HA 0.505 5.062 4.556 0.001 0.000 0.358 390 H C 0.726 176.087 175.328 0.055 0.000 1.304 390 H CA -0.346 55.757 56.048 0.091 0.000 1.393 390 H CB 1.339 31.119 29.762 0.030 0.000 1.591 390 H HN 0.814 nan 8.280 nan 0.000 0.595 391 A N 0.220 123.200 122.820 0.267 0.000 2.172 391 A HA -0.114 4.206 4.320 0.001 0.000 0.216 391 A C 1.932 179.482 177.584 -0.057 0.000 1.154 391 A CA 1.016 53.018 52.037 -0.057 0.000 0.701 391 A CB -0.554 18.551 19.000 0.176 0.000 0.789 391 A HN 0.799 nan 8.150 nan 0.000 0.465 392 E N -0.813 119.513 120.200 0.209 0.000 2.140 392 E HA -0.107 4.243 4.350 0.001 0.000 0.191 392 E C 2.177 178.716 176.600 -0.101 0.000 0.973 392 E CA 0.797 57.269 56.400 0.119 0.000 0.829 392 E CB -0.067 29.798 29.700 0.275 0.000 0.781 392 E HN 0.518 nan 8.360 nan 0.000 0.466 393 R N 0.997 121.288 120.500 -0.348 0.000 2.090 393 R HA -0.075 4.265 4.340 0.001 0.000 0.228 393 R C 1.920 177.998 176.300 -0.371 0.000 1.110 393 R CA 0.966 56.835 56.100 -0.385 0.000 0.973 393 R CB -0.804 29.144 30.300 -0.587 0.000 0.869 393 R HN 0.147 nan 8.270 nan 0.000 0.440 394 F N 0.671 120.217 119.950 -0.674 0.000 2.216 394 F HA -0.176 4.352 4.527 0.001 0.000 0.300 394 F C 1.641 176.911 175.800 -0.885 0.000 1.085 394 F CA 1.840 59.284 58.000 -0.925 0.000 1.326 394 F CB -0.105 37.885 39.000 -1.684 0.000 1.027 394 F HN 0.187 nan 8.300 nan 0.000 0.497 395 D N 0.247 120.178 120.400 -0.781 0.000 2.162 395 D HA -0.085 4.555 4.640 0.001 0.000 0.203 395 D C 2.212 178.285 176.300 -0.379 0.000 0.967 395 D CA 1.257 54.877 54.000 -0.633 0.000 0.840 395 D CB -0.217 40.462 40.800 -0.203 0.000 0.972 395 D HN 0.305 nan 8.370 nan 0.000 0.482 396 A N 0.867 123.516 122.820 -0.286 0.000 1.828 396 A HA -0.188 4.132 4.320 0.001 0.000 0.215 396 A C 2.107 179.565 177.584 -0.211 0.000 1.203 396 A CA 1.799 53.733 52.037 -0.173 0.000 0.614 396 A CB -0.875 18.050 19.000 -0.126 0.000 0.844 396 A HN 0.302 nan 8.150 nan 0.000 0.445 397 E N -0.612 119.427 120.200 -0.269 0.000 2.065 397 E HA -0.259 4.091 4.350 0.001 0.000 0.201 397 E C 1.946 178.360 176.600 -0.311 0.000 1.016 397 E CA 1.460 57.702 56.400 -0.264 0.000 0.818 397 E CB -0.419 29.114 29.700 -0.279 0.000 0.749 397 E HN 0.378 nan 8.360 nan 0.000 0.453 398 L N 0.851 121.788 121.223 -0.477 0.000 1.990 398 L HA -0.208 4.133 4.340 0.001 0.000 0.213 398 L C 2.509 179.243 176.870 -0.226 0.000 1.072 398 L CA 2.005 56.588 54.840 -0.429 0.000 0.755 398 L CB -1.047 40.578 42.059 -0.724 0.000 0.889 398 L HN 0.146 nan 8.230 nan 0.000 0.432 399 T N -1.475 112.950 114.554 -0.214 0.000 2.788 399 T HA -0.230 4.120 4.350 0.001 0.000 0.268 399 T C 2.066 176.642 174.700 -0.206 0.000 1.044 399 T CA 1.413 63.422 62.100 -0.153 0.000 1.139 399 T CB -0.191 68.626 68.868 -0.085 0.000 0.867 399 T HN 0.248 nan 8.240 nan 0.000 0.454 400 R N 0.763 121.167 120.500 -0.159 0.000 2.090 400 R HA 0.075 4.415 4.340 0.001 0.000 0.228 400 R C 2.517 178.680 176.300 -0.228 0.000 1.110 400 R CA 1.178 57.193 56.100 -0.141 0.000 0.973 400 R CB -0.315 29.959 30.300 -0.043 0.000 0.869 400 R HN 0.365 nan 8.270 nan 0.000 0.440 401 A N 0.570 123.254 122.820 -0.227 0.000 2.014 401 A HA -0.061 4.260 4.320 0.001 0.000 0.218 401 A C 2.074 179.481 177.584 -0.294 0.000 1.163 401 A CA 0.625 52.499 52.037 -0.272 0.000 0.652 401 A CB -0.401 18.459 19.000 -0.233 0.000 0.808 401 A HN 0.230 nan 8.150 nan 0.000 0.449 402 R N -0.865 119.493 120.500 -0.236 0.000 2.148 402 R HA -0.031 4.310 4.340 0.001 0.000 0.227 402 R C 1.085 177.212 176.300 -0.287 0.000 1.103 402 R CA 1.192 57.165 56.100 -0.212 0.000 0.983 402 R CB -0.141 30.063 30.300 -0.159 0.000 0.874 402 R HN 0.397 nan 8.270 nan 0.000 0.451 403 M N 0.144 119.502 119.600 -0.403 0.000 2.495 403 M HA -0.014 4.466 4.480 0.001 0.000 0.237 403 M C 1.538 177.593 176.300 -0.408 0.000 1.131 403 M CA 0.232 55.253 55.300 -0.465 0.000 1.032 403 M CB -0.233 31.845 32.600 -0.871 0.000 1.513 403 M HN 0.059 nan 8.290 nan 0.000 0.488 404 L N -0.588 120.343 121.223 -0.487 0.000 2.131 404 L HA -0.074 4.266 4.340 0.001 0.000 0.210 404 L C 0.092 176.570 176.870 -0.653 0.000 1.092 404 L CA 1.548 55.970 54.840 -0.698 0.000 0.759 404 L CB -0.309 41.058 42.059 -1.153 0.000 0.903 404 L HN 0.190 nan 8.230 nan 0.000 0.435 405 Y N -3.367 116.868 120.300 -0.108 0.000 2.644 405 Y HA 0.449 5.000 4.550 0.001 0.000 0.338 405 Y C -2.209 173.611 175.900 -0.133 0.000 1.119 405 Y CA -2.971 55.077 58.100 -0.087 0.000 1.060 405 Y CB 0.176 38.611 38.460 -0.042 0.000 1.294 405 Y HN -0.323 nan 8.280 nan 0.000 0.472 406 P HA -0.025 nan 4.420 nan 0.000 0.266 406 P C 0.445 177.564 177.300 -0.301 0.000 1.195 406 P CA 0.288 63.082 63.100 -0.510 0.000 0.768 406 P CB 0.624 31.861 31.700 -0.770 0.000 0.838 407 E N 2.295 122.369 120.200 -0.211 0.000 2.114 407 E HA -0.363 3.987 4.350 0.001 0.000 0.199 407 E C 1.187 177.639 176.600 -0.248 0.000 1.008 407 E CA 1.449 57.778 56.400 -0.119 0.000 0.810 407 E CB -0.642 29.068 29.700 0.016 0.000 0.739 407 E HN 0.384 nan 8.360 nan 0.000 0.456 408 Q N 1.002 120.568 119.800 -0.390 0.000 2.133 408 Q HA -0.197 4.144 4.340 0.001 0.000 0.208 408 Q C 2.223 177.814 176.000 -0.681 0.000 0.991 408 Q CA 2.693 58.116 55.803 -0.635 0.000 0.867 408 Q CB -0.464 27.592 28.738 -1.136 0.000 0.911 408 Q HN 0.536 nan 8.270 nan 0.000 0.417 409 A N -0.045 122.435 122.820 -0.566 0.000 1.903 409 A HA 0.149 4.469 4.320 0.001 0.000 0.213 409 A C 2.240 179.737 177.584 -0.146 0.000 1.185 409 A CA 1.145 53.008 52.037 -0.291 0.000 0.628 409 A CB -0.905 18.074 19.000 -0.036 0.000 0.830 409 A HN 0.361 nan 8.150 nan 0.000 0.446 410 A N -0.394 122.374 122.820 -0.087 0.000 1.892 410 A HA -0.284 4.036 4.320 0.001 0.000 0.218 410 A C 2.160 179.662 177.584 -0.137 0.000 1.188 410 A CA 2.011 54.015 52.037 -0.056 0.000 0.631 410 A CB -0.624 18.328 19.000 -0.080 0.000 0.822 410 A HN 0.541 nan 8.150 nan 0.000 0.447 411 Q N 0.168 119.859 119.800 -0.182 0.000 2.439 411 Q HA -0.091 4.249 4.340 0.001 0.000 0.211 411 Q C 1.456 177.342 176.000 -0.190 0.000 0.978 411 Q CA 1.637 57.321 55.803 -0.200 0.000 0.897 411 Q CB -0.477 28.141 28.738 -0.200 0.000 0.956 411 Q HN 0.554 nan 8.270 nan 0.000 0.483 412 G N 0.198 108.893 108.800 -0.174 0.000 3.159 412 G HA2 0.185 4.146 3.960 0.001 0.000 0.232 412 G HA3 0.185 4.146 3.960 0.001 0.000 0.232 412 G C 0.207 175.082 174.900 -0.041 0.000 1.116 412 G CA -0.436 44.587 45.100 -0.129 0.000 0.767 412 G HN 0.122 nan 8.290 nan 0.000 0.547 413 L N 1.113 122.299 121.223 -0.062 0.000 2.499 413 L HA 0.179 4.520 4.340 0.001 0.000 0.273 413 L C -0.133 176.768 176.870 0.051 0.000 1.195 413 L CA -1.015 53.806 54.840 -0.031 0.000 0.882 413 L CB -0.333 41.699 42.059 -0.045 0.000 1.133 413 L HN 0.208 nan 8.230 nan 0.000 0.483 414 W N 4.020 125.181 121.300 -0.233 0.000 2.585 414 W HA 0.157 4.817 4.660 0.001 0.000 0.337 414 W C 0.441 176.752 176.519 -0.346 0.000 1.226 414 W CA -0.848 56.340 57.345 -0.262 0.000 1.463 414 W CB -0.817 28.509 29.460 -0.224 0.000 1.458 414 W HN 0.402 nan 8.180 nan 0.000 0.458 415 N N 5.440 123.918 118.700 -0.371 0.000 2.402 415 N HA 0.149 4.889 4.740 0.001 0.000 0.252 415 N C -0.438 174.667 175.510 -0.676 0.000 1.118 415 N CA -0.206 52.262 53.050 -0.970 0.000 0.945 415 N CB 0.807 38.262 38.487 -1.720 0.000 1.147 415 N HN 0.111 nan 8.380 nan 0.000 0.495 416 L N -0.362 120.690 121.223 -0.284 0.000 2.319 416 L HA 0.574 4.914 4.340 0.001 0.000 0.267 416 L C 0.645 177.611 176.870 0.159 0.000 1.011 416 L CA -0.720 54.110 54.840 -0.016 0.000 0.818 416 L CB 0.179 42.280 42.059 0.069 0.000 1.316 416 L HN 0.278 nan 8.230 nan 0.000 0.432 417 L N -0.337 120.903 121.223 0.029 0.000 2.316 417 L HA 0.251 4.591 4.340 0.001 0.000 0.207 417 L C -0.140 176.747 176.870 0.027 0.000 1.070 417 L CA 0.551 55.300 54.840 -0.152 0.000 0.820 417 L CB -0.041 41.668 42.059 -0.584 0.000 0.992 417 L HN 0.861 nan 8.230 nan 0.000 0.466 418 D N -1.707 118.714 120.400 0.035 0.000 2.677 418 D HA 0.502 5.142 4.640 0.001 0.000 0.298 418 D C -0.572 175.635 176.300 -0.156 0.000 1.250 418 D CA -0.461 53.524 54.000 -0.024 0.000 0.888 418 D CB 1.342 42.112 40.800 -0.050 0.000 1.397 418 D HN -0.031 nan 8.370 nan 0.000 0.461 419 S N -1.963 113.544 115.700 -0.321 0.000 2.819 419 S HA 0.368 4.838 4.470 0.001 0.000 0.299 419 S C 0.387 174.686 174.600 -0.501 0.000 1.192 419 S CA -0.631 57.394 58.200 -0.292 0.000 0.847 419 S CB 0.659 63.860 63.200 0.003 0.000 1.224 419 S HN 0.746 nan 8.310 nan 0.000 0.537 420 H N 0.302 119.220 119.070 -0.253 0.000 2.547 420 H HA 0.262 4.819 4.556 0.001 0.000 0.272 420 H C 0.690 175.934 175.328 -0.139 0.000 0.989 420 H CA 0.917 56.862 56.048 -0.172 0.000 1.214 420 H CB -1.034 28.647 29.762 -0.135 0.000 1.389 420 H HN 0.652 nan 8.280 nan 0.000 0.577 421 N N 1.081 119.514 118.700 -0.444 0.000 2.314 421 N HA 0.024 4.764 4.740 0.001 0.000 0.200 421 N C -0.192 175.209 175.510 -0.183 0.000 1.135 421 N CA 0.415 53.264 53.050 -0.336 0.000 0.835 421 N CB 0.631 38.855 38.487 -0.438 0.000 0.989 421 N HN 0.447 nan 8.380 nan 0.000 0.478 422 T N -2.216 112.244 114.554 -0.158 0.000 2.868 422 T HA 0.211 4.561 4.350 0.001 0.000 0.306 422 T C -0.786 173.870 174.700 -0.074 0.000 1.224 422 T CA -1.099 60.952 62.100 -0.082 0.000 1.012 422 T CB 1.690 70.540 68.868 -0.030 0.000 1.221 422 T HN 0.128 nan 8.240 nan 0.000 0.499 423 E N 1.768 121.953 120.200 -0.024 0.000 2.415 423 E HA 0.254 4.604 4.350 0.001 0.000 0.262 423 E C -0.039 176.575 176.600 0.024 0.000 1.038 423 E CA -0.841 55.554 56.400 -0.008 0.000 0.921 423 E CB 0.608 30.309 29.700 0.002 0.000 0.950 423 E HN 0.455 nan 8.360 nan 0.000 0.438 424 R N 1.341 121.865 120.500 0.041 0.000 2.756 424 R HA -0.036 4.305 4.340 0.001 0.000 0.264 424 R C 0.643 177.075 176.300 0.221 0.000 1.026 424 R CA -0.013 56.161 56.100 0.123 0.000 1.121 424 R CB 0.067 30.436 30.300 0.114 0.000 0.999 424 R HN 0.675 nan 8.270 nan 0.000 0.449 425 F N 1.974 122.035 119.950 0.185 0.000 2.113 425 F HA -0.177 4.350 4.527 0.001 0.000 0.297 425 F C 2.122 178.117 175.800 0.326 0.000 1.103 425 F CA 1.232 59.371 58.000 0.232 0.000 1.248 425 F CB -0.118 39.018 39.000 0.226 0.000 0.999 425 F HN 0.395 nan 8.300 nan 0.000 0.475 426 L N -0.221 121.320 121.223 0.530 0.000 2.261 426 L HA -0.211 4.129 4.340 0.001 0.000 0.216 426 L C 1.841 178.723 176.870 0.019 0.000 1.114 426 L CA 2.076 57.044 54.840 0.213 0.000 0.777 426 L CB -1.244 40.689 42.059 -0.209 0.000 0.910 426 L HN 0.226 nan 8.230 nan 0.000 0.440 427 T N -0.767 113.796 114.554 0.015 0.000 2.809 427 T HA -0.076 4.275 4.350 0.001 0.000 0.260 427 T C 1.982 176.633 174.700 -0.081 0.000 1.039 427 T CA 1.361 63.442 62.100 -0.032 0.000 1.141 427 T CB 0.027 68.887 68.868 -0.013 0.000 0.869 427 T HN 0.361 nan 8.240 nan 0.000 0.437 428 S N 0.695 116.326 115.700 -0.115 0.000 2.420 428 S HA -0.132 4.338 4.470 0.001 0.000 0.237 428 S C 1.996 176.426 174.600 -0.285 0.000 1.023 428 S CA 0.756 58.839 58.200 -0.195 0.000 0.991 428 S CB -0.530 62.521 63.200 -0.248 0.000 0.792 428 S HN 0.538 nan 8.310 nan 0.000 0.488 429 C N 0.832 119.934 119.300 -0.331 0.000 2.613 429 C HA 0.396 4.856 4.460 0.001 0.000 0.273 429 C C 2.147 177.046 174.990 -0.151 0.000 1.304 429 C CA -0.023 58.826 59.018 -0.281 0.000 1.702 429 C CB -1.482 26.114 27.740 -0.240 0.000 1.792 429 C HN 0.790 nan 8.230 nan 0.000 0.588 430 G N 0.315 109.045 108.800 -0.116 0.000 2.328 430 G HA2 -0.138 3.823 3.960 0.001 0.000 0.256 430 G HA3 -0.138 3.823 3.960 0.001 0.000 0.256 430 G C 0.987 175.852 174.900 -0.059 0.000 1.014 430 G CA 0.778 45.832 45.100 -0.077 0.000 0.620 430 G HN 1.473 nan 8.290 nan 0.000 0.530 431 G N -0.747 108.017 108.800 -0.060 0.000 2.260 431 G HA2 -0.175 3.785 3.960 0.001 0.000 0.179 431 G HA3 -0.175 3.785 3.960 0.001 0.000 0.179 431 G C 0.083 174.959 174.900 -0.039 0.000 1.002 431 G CA 0.772 45.842 45.100 -0.050 0.000 0.677 431 G HN 1.307 nan 8.290 nan 0.000 0.486 432 N N 1.853 120.527 118.700 -0.043 0.000 2.744 432 N HA 0.077 4.817 4.740 0.001 0.000 0.290 432 N C 1.291 176.786 175.510 -0.025 0.000 1.206 432 N CA 0.705 53.734 53.050 -0.035 0.000 1.119 432 N CB 0.108 38.556 38.487 -0.065 0.000 1.449 432 N HN 0.677 nan 8.380 nan 0.000 0.514 433 E N 1.822 122.025 120.200 0.005 0.000 2.352 433 E HA -0.267 4.083 4.350 0.001 0.000 0.203 433 E C 1.255 177.901 176.600 0.077 0.000 1.024 433 E CA 1.211 57.644 56.400 0.055 0.000 0.842 433 E CB 0.167 29.877 29.700 0.017 0.000 0.753 433 E HN 0.654 nan 8.360 nan 0.000 0.508 434 A N 0.878 123.703 122.820 0.007 0.000 1.930 434 A HA -0.166 4.154 4.320 0.001 0.000 0.217 434 A C 1.960 179.430 177.584 -0.190 0.000 1.175 434 A CA 1.450 53.481 52.037 -0.009 0.000 0.627 434 A CB -0.159 18.943 19.000 0.169 0.000 0.815 434 A HN 0.160 nan 8.150 nan 0.000 0.443 435 K N -1.558 118.637 120.400 -0.342 0.000 2.062 435 K HA -0.019 4.302 4.320 0.001 0.000 0.205 435 K C 1.784 178.307 176.600 -0.128 0.000 1.051 435 K CA 1.320 57.368 56.287 -0.399 0.000 0.941 435 K CB -0.330 31.925 32.500 -0.408 0.000 0.719 435 K HN 0.453 nan 8.250 nan 0.000 0.440 436 F N 2.341 122.233 119.950 -0.097 0.000 2.046 436 F HA -0.248 4.280 4.527 0.001 0.000 0.297 436 F C 2.355 178.212 175.800 0.095 0.000 1.123 436 F CA 1.576 59.629 58.000 0.089 0.000 1.199 436 F CB -0.063 39.011 39.000 0.122 0.000 0.972 436 F HN -0.153 nan 8.300 nan 0.000 0.474 437 R N -0.218 120.513 120.500 0.386 0.000 2.119 437 R HA -0.239 4.102 4.340 0.001 0.000 0.246 437 R C 2.088 178.500 176.300 0.187 0.000 1.146 437 R CA 1.847 58.192 56.100 0.409 0.000 0.962 437 R CB -0.918 29.504 30.300 0.204 0.000 0.863 437 R HN 0.339 nan 8.270 nan 0.000 0.442 438 L N 0.436 121.642 121.223 -0.027 0.000 1.989 438 L HA -0.156 4.184 4.340 0.001 0.000 0.211 438 L C 2.248 178.846 176.870 -0.453 0.000 1.071 438 L CA 2.159 56.904 54.840 -0.158 0.000 0.749 438 L CB -0.882 41.061 42.059 -0.193 0.000 0.890 438 L HN 0.202 nan 8.230 nan 0.000 0.431 439 A N -1.154 121.201 122.820 -0.776 0.000 1.892 439 A HA -0.209 4.112 4.320 0.001 0.000 0.218 439 A C 2.269 179.628 177.584 -0.376 0.000 1.188 439 A CA 2.363 53.865 52.037 -0.892 0.000 0.631 439 A CB -1.249 17.478 19.000 -0.456 0.000 0.822 439 A HN 0.323 nan 8.150 nan 0.000 0.447 440 V N -0.167 119.522 119.914 -0.375 0.000 2.332 440 V HA -0.289 3.832 4.120 0.001 0.000 0.248 440 V C 2.498 178.433 176.094 -0.265 0.000 1.055 440 V CA 2.018 64.089 62.300 -0.382 0.000 1.038 440 V CB -0.905 30.609 31.823 -0.516 0.000 0.651 440 V HN 0.619 nan 8.190 nan 0.000 0.450 441 L N -0.736 120.415 121.223 -0.121 0.000 2.012 441 L HA -0.244 4.097 4.340 0.001 0.000 0.210 441 L C 2.339 179.283 176.870 0.123 0.000 1.073 441 L CA 2.280 57.123 54.840 0.006 0.000 0.748 441 L CB -0.398 41.771 42.059 0.183 0.000 0.891 441 L HN 0.381 nan 8.230 nan 0.000 0.431 442 F N 0.107 120.087 119.950 0.050 0.000 2.095 442 F HA -0.337 4.191 4.527 0.001 0.000 0.298 442 F C 2.665 178.605 175.800 0.233 0.000 1.104 442 F CA 2.068 60.218 58.000 0.249 0.000 1.232 442 F CB -0.227 38.932 39.000 0.264 0.000 0.987 442 F HN 0.236 nan 8.300 nan 0.000 0.475 443 Q N 0.048 119.854 119.800 0.010 0.000 2.002 443 Q HA -0.250 4.090 4.340 0.001 0.000 0.204 443 Q C 1.987 177.902 176.000 -0.140 0.000 0.988 443 Q CA 2.074 57.854 55.803 -0.038 0.000 0.843 443 Q CB -0.222 28.516 28.738 -0.001 0.000 0.908 443 Q HN 0.345 nan 8.270 nan 0.000 0.420 444 M N 0.554 120.060 119.600 -0.156 0.000 2.700 444 M HA -0.050 4.430 4.480 0.001 0.000 0.249 444 M C 1.386 177.618 176.300 -0.113 0.000 1.082 444 M CA 1.440 56.632 55.300 -0.179 0.000 1.077 444 M CB -0.597 31.852 32.600 -0.252 0.000 1.477 444 M HN 0.473 nan 8.290 nan 0.000 0.529 445 T N -5.085 109.455 114.554 -0.024 0.000 2.954 445 T HA 0.090 4.440 4.350 0.001 0.000 0.252 445 T C 0.518 175.306 174.700 0.146 0.000 0.983 445 T CA -0.359 61.804 62.100 0.105 0.000 0.941 445 T CB -0.039 69.006 68.868 0.294 0.000 1.141 445 T HN 0.114 nan 8.240 nan 0.000 0.500 446 Y N 2.041 122.184 120.300 -0.261 0.000 2.258 446 Y HA 0.537 5.088 4.550 0.001 0.000 0.345 446 Y C 0.211 175.937 175.900 -0.290 0.000 1.303 446 Y CA -2.203 55.610 58.100 -0.479 0.000 1.537 446 Y CB 0.326 38.179 38.460 -1.012 0.000 1.383 446 Y HN 0.193 nan 8.280 nan 0.000 0.606 447 L N 2.954 123.420 121.223 -1.263 0.000 2.360 447 L HA 0.505 4.846 4.340 0.001 0.000 0.276 447 L C 0.176 176.713 176.870 -0.556 0.000 1.121 447 L CA 1.197 55.547 54.840 -0.816 0.000 0.845 447 L CB -0.176 41.379 42.059 -0.840 0.000 1.143 447 L HN 0.863 nan 8.230 nan 0.000 0.452 448 G N 2.367 110.958 108.800 -0.349 0.000 2.423 448 G HA2 -0.090 3.870 3.960 0.001 0.000 0.684 448 G HA3 -0.090 3.870 3.960 0.001 0.000 0.684 448 G C -0.678 174.072 174.900 -0.250 0.000 1.309 448 G CA -0.557 44.387 45.100 -0.260 0.000 0.950 448 G HN 0.636 nan 8.290 nan 0.000 0.587 449 T N 3.966 118.396 114.554 -0.207 0.000 2.729 449 T HA 0.561 4.911 4.350 0.001 0.000 0.296 449 T C -1.927 172.575 174.700 -0.330 0.000 0.928 449 T CA -0.374 61.574 62.100 -0.253 0.000 1.045 449 T CB 1.479 70.190 68.868 -0.261 0.000 0.902 449 T HN 0.552 nan 8.240 nan 0.000 0.500 450 P HA 0.227 nan 4.420 nan 0.000 0.271 450 P C -0.953 176.170 177.300 -0.295 0.000 1.216 450 P CA -0.676 62.242 63.100 -0.303 0.000 0.776 450 P CB 0.842 32.404 31.700 -0.230 0.000 0.881 451 L N 5.003 126.076 121.223 -0.251 0.000 2.372 451 L HA 0.453 4.794 4.340 0.001 0.000 0.273 451 L C -0.683 176.156 176.870 -0.052 0.000 0.989 451 L CA -0.810 53.904 54.840 -0.211 0.000 0.841 451 L CB 0.616 42.555 42.059 -0.201 0.000 1.225 451 L HN 0.236 nan 8.230 nan 0.000 0.414 452 I N 5.156 125.729 120.570 0.004 0.000 2.342 452 I HA 0.171 4.342 4.170 0.001 0.000 0.291 452 I C -0.808 175.291 176.117 -0.029 0.000 1.010 452 I CA -0.690 60.660 61.300 0.084 0.000 1.308 452 I CB 0.900 39.030 38.000 0.216 0.000 1.400 452 I HN 0.551 nan 8.210 nan 0.000 0.488 453 Y N 8.400 128.647 120.300 -0.089 0.000 2.335 453 Y HA 0.158 4.709 4.550 0.001 0.000 0.331 453 Y C -0.000 175.727 175.900 -0.288 0.000 1.094 453 Y CA -1.168 56.852 58.100 -0.133 0.000 1.253 453 Y CB 0.357 38.802 38.460 -0.026 0.000 1.203 453 Y HN 0.455 nan 8.280 nan 0.000 0.508 454 Y N 5.038 124.759 120.300 -0.964 0.000 2.881 454 Y HA 0.324 4.874 4.550 0.001 0.000 0.335 454 Y C 0.966 176.632 175.900 -0.389 0.000 1.263 454 Y CA 0.317 57.991 58.100 -0.711 0.000 1.572 454 Y CB -0.002 38.185 38.460 -0.455 0.000 1.237 454 Y HN 0.934 nan 8.280 nan 0.000 0.568 455 G N 3.117 111.779 108.800 -0.230 0.000 2.611 455 G HA2 -0.357 3.604 3.960 0.001 0.000 0.208 455 G HA3 -0.357 3.604 3.960 0.001 0.000 0.208 455 G C 0.839 175.651 174.900 -0.147 0.000 1.201 455 G CA 0.219 45.141 45.100 -0.296 0.000 0.739 455 G HN 0.587 nan 8.290 nan 0.000 0.528 456 D N 1.817 122.176 120.400 -0.069 0.000 2.203 456 D HA -0.111 4.529 4.640 0.001 0.000 0.199 456 D C 2.438 178.776 176.300 0.063 0.000 0.997 456 D CA 1.578 55.654 54.000 0.126 0.000 0.863 456 D CB -0.232 40.824 40.800 0.426 0.000 0.928 456 D HN 0.798 nan 8.370 nan 0.000 0.458 457 E N 1.146 121.247 120.200 -0.165 0.000 2.333 457 E HA -0.167 4.183 4.350 0.001 0.000 0.198 457 E C 1.895 178.471 176.600 -0.040 0.000 1.007 457 E CA 0.779 56.840 56.400 -0.565 0.000 0.845 457 E CB -0.343 29.058 29.700 -0.498 0.000 0.766 457 E HN 0.548 nan 8.360 nan 0.000 0.507 458 I N -5.617 114.962 120.570 0.014 0.000 4.338 458 I HA 0.571 4.741 4.170 0.001 0.000 0.329 458 I C 1.159 177.254 176.117 -0.036 0.000 1.378 458 I CA 0.012 61.336 61.300 0.039 0.000 1.170 458 I CB 1.333 39.318 38.000 -0.025 0.000 1.206 458 I HN 0.074 nan 8.210 nan 0.000 0.432 459 G N 1.240 109.981 108.800 -0.098 0.000 2.227 459 G HA2 -0.104 3.857 3.960 0.001 0.000 0.168 459 G HA3 -0.104 3.857 3.960 0.001 0.000 0.168 459 G C 0.198 175.001 174.900 -0.162 0.000 1.006 459 G CA -0.416 44.590 45.100 -0.157 0.000 0.684 459 G HN 0.087 nan 8.290 nan 0.000 0.489 460 M N 1.094 120.604 119.600 -0.151 0.000 2.235 460 M HA 0.424 4.905 4.480 0.001 0.000 0.316 460 M C 0.652 176.891 176.300 -0.102 0.000 1.035 460 M CA 1.288 56.503 55.300 -0.142 0.000 1.084 460 M CB -0.121 32.365 32.600 -0.190 0.000 1.529 460 M HN 1.104 nan 8.290 nan 0.000 0.440 461 A N 1.051 123.822 122.820 -0.081 0.000 2.539 461 A HA 0.959 5.279 4.320 0.001 0.000 0.296 461 A C -0.150 177.411 177.584 -0.038 0.000 1.073 461 A CA 0.112 52.118 52.037 -0.051 0.000 0.700 461 A CB 2.158 21.121 19.000 -0.062 0.000 1.296 461 A HN 1.102 nan 8.150 nan 0.000 0.405 462 G N -1.070 107.719 108.800 -0.019 0.000 2.325 462 G HA2 0.667 4.627 3.960 0.001 0.000 0.297 462 G HA3 0.667 4.627 3.960 0.001 0.000 0.297 462 G C -0.713 174.177 174.900 -0.017 0.000 1.448 462 G CA 0.208 45.295 45.100 -0.022 0.000 0.838 462 G HN 1.937 nan 8.290 nan 0.000 0.579 463 A N 0.185 122.990 122.820 -0.026 0.000 2.295 463 A HA 0.863 5.184 4.320 0.001 0.000 0.318 463 A C 1.017 178.579 177.584 -0.036 0.000 1.134 463 A CA 0.363 52.384 52.037 -0.026 0.000 0.827 463 A CB 0.314 19.298 19.000 -0.027 0.000 1.136 463 A HN 1.460 nan 8.150 nan 0.000 0.493 464 T N 1.527 116.059 114.554 -0.036 0.000 2.608 464 T HA 0.054 4.405 4.350 0.001 0.000 0.368 464 T C 0.158 174.819 174.700 -0.064 0.000 1.072 464 T CA 1.271 63.341 62.100 -0.050 0.000 1.085 464 T CB -0.319 68.525 68.868 -0.039 0.000 1.006 464 T HN 0.840 nan 8.240 nan 0.000 0.547 465 D N 1.515 121.874 120.400 -0.069 0.000 2.571 465 D HA 0.073 4.713 4.640 0.001 0.000 0.231 465 D C -1.715 174.452 176.300 -0.222 0.000 1.133 465 D CA -1.174 52.768 54.000 -0.098 0.000 0.862 465 D CB 0.098 40.882 40.800 -0.026 0.000 1.179 465 D HN 0.275 nan 8.370 nan 0.000 0.474 466 P HA 0.122 nan 4.420 nan 0.000 0.278 466 P C 0.022 177.267 177.300 -0.092 0.000 1.502 466 P CA -0.156 62.840 63.100 -0.173 0.000 1.114 466 P CB 0.617 32.208 31.700 -0.182 0.000 1.541 467 D N 0.598 120.947 120.400 -0.085 0.000 2.219 467 D HA -0.128 4.512 4.640 0.001 0.000 0.205 467 D C 1.742 178.017 176.300 -0.041 0.000 0.970 467 D CA 1.008 54.974 54.000 -0.056 0.000 0.851 467 D CB -0.400 40.371 40.800 -0.048 0.000 0.943 467 D HN 0.215 nan 8.370 nan 0.000 0.488 468 C N -0.318 118.964 119.300 -0.030 0.000 2.448 468 C HA 0.195 4.655 4.460 0.001 0.000 0.280 468 C C 1.666 176.692 174.990 0.061 0.000 1.398 468 C CA -0.397 58.629 59.018 0.014 0.000 1.774 468 C CB -1.238 26.501 27.740 -0.002 0.000 1.888 468 C HN 0.039 nan 8.230 nan 0.000 0.519 469 R N 1.381 121.885 120.500 0.007 0.000 4.263 469 R HA 0.250 4.591 4.340 0.001 0.000 0.248 469 R C 0.186 176.484 176.300 -0.002 0.000 1.796 469 R CA -0.017 56.089 56.100 0.011 0.000 1.518 469 R CB -0.243 29.987 30.300 -0.117 0.000 1.342 469 R HN 0.632 nan 8.270 nan 0.000 0.706 470 R N 1.738 122.210 120.500 -0.048 0.000 2.531 470 R HA 0.178 4.519 4.340 0.001 0.000 0.273 470 R C -2.121 174.020 176.300 -0.266 0.000 1.070 470 R CA -1.791 54.185 56.100 -0.206 0.000 1.112 470 R CB 0.329 30.523 30.300 -0.178 0.000 1.049 470 R HN 0.040 nan 8.270 nan 0.000 0.508 471 P HA -0.064 nan 4.420 nan 0.000 0.267 471 P C -0.427 176.665 177.300 -0.347 0.000 1.209 471 P CA -0.222 62.333 63.100 -0.908 0.000 0.763 471 P CB 0.603 31.149 31.700 -1.923 0.000 0.816 472 M N 5.105 124.725 119.600 0.034 0.000 2.255 472 M HA -0.020 4.461 4.480 0.001 0.000 0.356 472 M C -0.394 175.732 176.300 -0.290 0.000 1.338 472 M CA 0.626 55.894 55.300 -0.053 0.000 0.962 472 M CB -0.850 31.724 32.600 -0.043 0.000 1.877 472 M HN 0.232 nan 8.290 nan 0.000 0.463 473 I N 6.896 127.217 120.570 -0.414 0.000 2.363 473 I HA -0.015 4.155 4.170 0.001 0.000 0.292 473 I C -0.198 175.596 176.117 -0.538 0.000 1.075 473 I CA 0.308 61.417 61.300 -0.318 0.000 1.333 473 I CB 0.327 38.199 38.000 -0.215 0.000 1.415 473 I HN 0.907 nan 8.210 nan 0.000 0.502 474 W N 3.157 124.418 121.300 -0.066 0.000 2.915 474 W HA 0.112 4.772 4.660 0.001 0.000 0.276 474 W C 1.115 177.552 176.519 -0.137 0.000 1.215 474 W CA -0.363 56.874 57.345 -0.180 0.000 1.514 474 W CB 0.414 29.742 29.460 -0.220 0.000 1.017 474 W HN 0.422 nan 8.180 nan 0.000 0.598 475 E N 2.378 122.645 120.200 0.112 0.000 2.463 475 E HA -0.137 4.214 4.350 0.001 0.000 0.248 475 E C 1.240 177.853 176.600 0.021 0.000 1.106 475 E CA 0.114 56.550 56.400 0.061 0.000 0.946 475 E CB 0.751 30.481 29.700 0.050 0.000 0.971 475 E HN 0.067 nan 8.360 nan 0.000 0.478 476 E N 4.264 124.478 120.200 0.024 0.000 2.136 476 E HA -0.254 4.097 4.350 0.001 0.000 0.208 476 E C 0.348 176.951 176.600 0.006 0.000 1.035 476 E CA 1.721 58.127 56.400 0.010 0.000 0.838 476 E CB 0.146 29.858 29.700 0.020 0.000 0.748 476 E HN 0.396 nan 8.360 nan 0.000 0.459 477 K N 0.325 120.732 120.400 0.011 0.000 3.192 477 K HA 0.079 4.399 4.320 0.001 0.000 0.269 477 K C -0.261 176.341 176.600 0.004 0.000 1.270 477 K CA 0.226 56.520 56.287 0.011 0.000 1.249 477 K CB 0.159 32.667 32.500 0.014 0.000 1.528 477 K HN 0.189 nan 8.250 nan 0.000 0.360 478 E N 0.165 120.361 120.200 -0.007 0.000 2.597 478 E HA 0.003 4.354 4.350 0.001 0.000 0.150 478 E C -0.773 175.802 176.600 -0.042 0.000 0.871 478 E CA 0.040 56.429 56.400 -0.019 0.000 1.364 478 E CB 0.803 30.495 29.700 -0.014 0.000 1.061 478 E HN 0.293 nan 8.360 nan 0.000 0.514 479 Q N 1.073 120.849 119.800 -0.041 0.000 2.316 479 Q HA 0.306 4.647 4.340 0.001 0.000 0.264 479 Q C -0.182 175.814 176.000 -0.006 0.000 0.987 479 Q CA -0.592 55.176 55.803 -0.057 0.000 0.852 479 Q CB 1.530 30.209 28.738 -0.098 0.000 1.287 479 Q HN -0.082 nan 8.270 nan 0.000 0.448 480 N N 2.840 121.546 118.700 0.010 0.000 2.892 480 N HA -0.032 4.709 4.740 0.001 0.000 0.300 480 N C 0.407 175.998 175.510 0.135 0.000 1.211 480 N CA 0.116 53.199 53.050 0.055 0.000 1.158 480 N CB 0.283 38.792 38.487 0.038 0.000 1.455 480 N HN 0.461 nan 8.380 nan 0.000 0.524 481 R N 0.884 121.465 120.500 0.136 0.000 2.211 481 R HA -0.115 4.225 4.340 0.001 0.000 0.240 481 R C 1.773 178.228 176.300 0.258 0.000 1.144 481 R CA 0.987 57.224 56.100 0.228 0.000 0.992 481 R CB -0.973 29.430 30.300 0.173 0.000 0.869 481 R HN 0.464 nan 8.270 nan 0.000 0.462 482 G N 1.055 109.966 108.800 0.186 0.000 2.421 482 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 482 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 482 G C 1.611 176.668 174.900 0.262 0.000 1.171 482 G CA 0.187 45.392 45.100 0.174 0.000 0.775 482 G HN 0.183 nan 8.290 nan 0.000 0.543 483 L N -0.783 120.612 121.223 0.287 0.000 1.948 483 L HA -0.027 4.313 4.340 0.001 0.000 0.212 483 L C 2.550 179.715 176.870 0.493 0.000 1.074 483 L CA 1.703 56.798 54.840 0.425 0.000 0.753 483 L CB -0.528 41.727 42.059 0.327 0.000 0.888 483 L HN 0.290 nan 8.230 nan 0.000 0.432 484 F N 0.721 120.804 119.950 0.222 0.000 2.082 484 F HA -0.380 4.148 4.527 0.001 0.000 0.298 484 F C 2.606 178.517 175.800 0.186 0.000 1.091 484 F CA 1.933 60.022 58.000 0.149 0.000 1.230 484 F CB -0.032 39.031 39.000 0.105 0.000 0.983 484 F HN 0.175 nan 8.300 nan 0.000 0.485 485 E N -0.009 120.310 120.200 0.198 0.000 2.072 485 E HA -0.237 4.114 4.350 0.001 0.000 0.191 485 E C 2.132 178.820 176.600 0.147 0.000 0.985 485 E CA 1.412 57.863 56.400 0.086 0.000 0.801 485 E CB -0.902 28.897 29.700 0.166 0.000 0.750 485 E HN 0.632 nan 8.360 nan 0.000 0.452 486 F N 0.162 120.167 119.950 0.092 0.000 2.095 486 F HA -0.323 4.205 4.527 0.001 0.000 0.298 486 F C 2.198 178.034 175.800 0.059 0.000 1.104 486 F CA 1.181 59.228 58.000 0.079 0.000 1.232 486 F CB -0.146 38.925 39.000 0.118 0.000 0.987 486 F HN 0.004 nan 8.300 nan 0.000 0.475 487 Y N 1.201 121.389 120.300 -0.187 0.000 2.097 487 Y HA -0.274 4.276 4.550 0.001 0.000 0.282 487 Y C 2.419 178.142 175.900 -0.296 0.000 1.152 487 Y CA 2.219 60.133 58.100 -0.309 0.000 1.136 487 Y CB -0.598 37.764 38.460 -0.162 0.000 0.975 487 Y HN -0.034 nan 8.280 nan 0.000 0.498 488 K N -0.073 120.238 120.400 -0.148 0.000 2.034 488 K HA -0.319 4.001 4.320 0.001 0.000 0.214 488 K C 2.053 178.583 176.600 -0.115 0.000 1.051 488 K CA 2.119 58.285 56.287 -0.203 0.000 0.931 488 K CB -0.358 31.956 32.500 -0.310 0.000 0.715 488 K HN 0.388 nan 8.250 nan 0.000 0.446 489 E N 1.183 121.335 120.200 -0.080 0.000 2.012 489 E HA -0.218 4.132 4.350 0.001 0.000 0.197 489 E C 2.073 178.619 176.600 -0.090 0.000 1.007 489 E CA 1.330 57.704 56.400 -0.043 0.000 0.816 489 E CB -0.136 29.585 29.700 0.035 0.000 0.762 489 E HN 0.188 nan 8.360 nan 0.000 0.451 490 L N 0.626 121.741 121.223 -0.179 0.000 2.010 490 L HA -0.298 4.042 4.340 0.001 0.000 0.219 490 L C 2.690 179.445 176.870 -0.191 0.000 1.077 490 L CA 1.603 56.305 54.840 -0.230 0.000 0.773 490 L CB -0.578 41.215 42.059 -0.444 0.000 0.892 490 L HN 0.364 nan 8.230 nan 0.000 0.436 491 I N -0.857 119.606 120.570 -0.177 0.000 2.151 491 I HA -0.347 3.823 4.170 0.001 0.000 0.243 491 I C 2.841 178.915 176.117 -0.073 0.000 1.080 491 I CA 1.435 62.650 61.300 -0.142 0.000 1.339 491 I CB -0.362 37.606 38.000 -0.054 0.000 1.039 491 I HN 0.266 nan 8.210 nan 0.000 0.409 492 R N 0.369 120.865 120.500 -0.007 0.000 2.066 492 R HA -0.121 4.219 4.340 0.001 0.000 0.232 492 R C 2.397 178.693 176.300 -0.006 0.000 1.131 492 R CA 1.170 57.301 56.100 0.052 0.000 0.955 492 R CB -0.519 29.784 30.300 0.004 0.000 0.851 492 R HN 0.355 nan 8.270 nan 0.000 0.432 493 L N 0.823 122.008 121.223 -0.063 0.000 2.081 493 L HA -0.232 4.108 4.340 0.001 0.000 0.212 493 L C 2.819 179.610 176.870 -0.132 0.000 1.080 493 L CA 1.361 56.145 54.840 -0.094 0.000 0.754 493 L CB -0.233 41.776 42.059 -0.083 0.000 0.893 493 L HN 0.209 nan 8.230 nan 0.000 0.433 494 R N -1.373 119.024 120.500 -0.172 0.000 2.090 494 R HA -0.165 4.176 4.340 0.001 0.000 0.228 494 R C 2.243 178.405 176.300 -0.231 0.000 1.110 494 R CA 1.116 57.076 56.100 -0.233 0.000 0.973 494 R CB -0.157 29.944 30.300 -0.331 0.000 0.869 494 R HN 0.480 nan 8.270 nan 0.000 0.440 495 H N -0.238 118.776 119.070 -0.094 0.000 2.462 495 H HA -0.071 4.486 4.556 0.001 0.000 0.292 495 H C 2.029 177.303 175.328 -0.090 0.000 1.049 495 H CA 1.288 57.288 56.048 -0.080 0.000 1.334 495 H CB 0.036 29.757 29.762 -0.067 0.000 1.404 495 H HN 0.240 nan 8.280 nan 0.000 0.544 496 R N 0.847 121.341 120.500 -0.009 0.000 2.056 496 R HA -0.010 4.331 4.340 0.001 0.000 0.227 496 R C 0.537 176.749 176.300 -0.147 0.000 1.149 496 R CA 0.387 56.438 56.100 -0.083 0.000 0.937 496 R CB -0.265 29.956 30.300 -0.132 0.000 0.835 496 R HN 0.069 nan 8.270 nan 0.000 0.430 497 L N 2.174 123.268 121.223 -0.215 0.000 2.617 497 L HA 0.091 4.431 4.340 0.001 0.000 0.282 497 L C 1.169 177.960 176.870 -0.132 0.000 1.174 497 L CA -0.258 54.429 54.840 -0.254 0.000 1.016 497 L CB 1.003 42.873 42.059 -0.315 0.000 1.337 497 L HN 0.388 nan 8.230 nan 0.000 0.460 498 A N 1.745 124.515 122.820 -0.084 0.000 2.285 498 A HA -0.159 4.161 4.320 0.001 0.000 0.214 498 A C 2.308 179.877 177.584 -0.026 0.000 1.188 498 A CA 1.667 53.682 52.037 -0.037 0.000 0.707 498 A CB -0.173 18.823 19.000 -0.008 0.000 0.771 498 A HN 0.710 nan 8.150 nan 0.000 0.488 499 S N -0.862 114.820 115.700 -0.030 0.000 2.441 499 S HA 0.112 4.583 4.470 0.001 0.000 0.224 499 S C 1.551 176.135 174.600 -0.027 0.000 1.043 499 S CA 0.417 58.616 58.200 -0.001 0.000 0.948 499 S CB -0.281 62.946 63.200 0.046 0.000 0.810 499 S HN 0.540 nan 8.310 nan 0.000 0.504 500 L N 1.130 122.320 121.223 -0.054 0.000 2.610 500 L HA 0.082 4.423 4.340 0.001 0.000 0.232 500 L C 1.975 178.785 176.870 -0.099 0.000 1.149 500 L CA 0.614 55.415 54.840 -0.064 0.000 0.872 500 L CB -0.475 41.535 42.059 -0.082 0.000 0.992 500 L HN 0.323 nan 8.230 nan 0.000 0.447 501 T N -1.052 113.447 114.554 -0.091 0.000 3.234 501 T HA 0.050 4.400 4.350 0.001 0.000 0.235 501 T C 1.599 176.240 174.700 -0.099 0.000 0.971 501 T CA 0.419 62.459 62.100 -0.100 0.000 1.292 501 T CB 0.202 69.028 68.868 -0.071 0.000 0.994 501 T HN 0.117 nan 8.240 nan 0.000 0.412 502 R N 1.168 121.624 120.500 -0.073 0.000 2.427 502 R HA 0.397 4.737 4.340 0.001 0.000 0.262 502 R C 1.029 177.291 176.300 -0.065 0.000 0.943 502 R CA -0.246 55.810 56.100 -0.073 0.000 1.081 502 R CB 0.310 30.578 30.300 -0.053 0.000 1.166 502 R HN 0.309 nan 8.270 nan 0.000 0.534 503 G N 0.311 109.075 108.800 -0.060 0.000 2.588 503 G HA2 0.069 4.029 3.960 0.001 0.000 0.278 503 G HA3 0.069 4.029 3.960 0.001 0.000 0.278 503 G C -0.325 174.531 174.900 -0.073 0.000 1.307 503 G CA -0.655 44.418 45.100 -0.045 0.000 1.016 503 G HN 0.430 nan 8.290 nan 0.000 0.503 504 N N -2.952 115.711 118.700 -0.060 0.000 2.906 504 N HA 0.655 5.396 4.740 0.001 0.000 0.327 504 N C -0.848 174.622 175.510 -0.065 0.000 1.344 504 N CA -0.924 52.077 53.050 -0.081 0.000 0.823 504 N CB 1.911 40.361 38.487 -0.061 0.000 1.351 504 N HN 0.367 nan 8.380 nan 0.000 0.604 505 V N -1.667 118.207 119.914 -0.068 0.000 3.019 505 V HA 0.720 4.841 4.120 0.001 0.000 0.317 505 V C -0.447 175.667 176.094 0.034 0.000 1.094 505 V CA -0.938 61.367 62.300 0.009 0.000 1.000 505 V CB 1.564 33.368 31.823 -0.032 0.000 1.060 505 V HN 0.721 nan 8.190 nan 0.000 0.443 506 R N 0.428 120.994 120.500 0.110 0.000 2.563 506 R HA 0.378 4.718 4.340 0.001 0.000 0.262 506 R C -1.231 175.171 176.300 0.171 0.000 1.128 506 R CA -0.484 55.666 56.100 0.083 0.000 0.969 506 R CB 1.918 32.215 30.300 -0.004 0.000 1.251 506 R HN 0.811 nan 8.270 nan 0.000 0.442 507 S N 1.873 117.679 115.700 0.177 0.000 2.531 507 S HA 0.107 4.577 4.470 0.001 0.000 0.279 507 S C 0.327 175.060 174.600 0.221 0.000 1.305 507 S CA -0.364 57.965 58.200 0.215 0.000 1.058 507 S CB 0.687 64.023 63.200 0.228 0.000 0.899 507 S HN 0.654 nan 8.310 nan 0.000 0.493 508 W N 3.339 124.609 121.300 -0.049 0.000 2.798 508 W HA 0.309 4.969 4.660 0.001 0.000 0.260 508 W C 0.311 176.853 176.519 0.037 0.000 1.165 508 W CA 0.556 57.876 57.345 -0.042 0.000 1.501 508 W CB -0.132 29.259 29.460 -0.115 0.000 1.023 508 W HN 0.757 nan 8.180 nan 0.000 0.615 509 H N -0.176 118.841 119.070 -0.087 0.000 3.029 509 H HA 0.566 5.123 4.556 0.001 0.000 0.358 509 H C -1.469 173.833 175.328 -0.044 0.000 1.129 509 H CA -0.210 55.746 56.048 -0.152 0.000 1.230 509 H CB 1.644 31.173 29.762 -0.389 0.000 1.827 509 H HN -0.017 nan 8.280 nan 0.000 0.530 510 A N 4.019 126.533 122.820 -0.510 0.000 2.429 510 A HA 0.397 4.718 4.320 0.001 0.000 0.289 510 A C -1.562 175.801 177.584 -0.368 0.000 1.043 510 A CA -0.631 51.287 52.037 -0.197 0.000 0.722 510 A CB 1.179 20.211 19.000 0.054 0.000 1.243 510 A HN 0.673 nan 8.150 nan 0.000 0.415 511 D N 3.278 123.564 120.400 -0.190 0.000 2.408 511 D HA 0.163 4.803 4.640 0.001 0.000 0.261 511 D C 1.003 177.292 176.300 -0.018 0.000 1.190 511 D CA -0.348 53.586 54.000 -0.111 0.000 0.910 511 D CB 0.960 41.754 40.800 -0.010 0.000 1.097 511 D HN 0.660 nan 8.370 nan 0.000 0.522 512 K N 1.661 122.028 120.400 -0.054 0.000 2.228 512 K HA -0.265 4.056 4.320 0.001 0.000 0.205 512 K C 1.470 177.992 176.600 -0.128 0.000 1.045 512 K CA 1.159 57.361 56.287 -0.143 0.000 0.931 512 K CB 0.217 32.442 32.500 -0.459 0.000 0.727 512 K HN 0.148 nan 8.250 nan 0.000 0.458 513 Q N 0.736 120.487 119.800 -0.082 0.000 2.123 513 Q HA 0.133 4.474 4.340 0.001 0.000 0.196 513 Q C 2.061 178.052 176.000 -0.015 0.000 0.958 513 Q CA 1.545 57.314 55.803 -0.055 0.000 0.841 513 Q CB -0.076 28.634 28.738 -0.046 0.000 0.915 513 Q HN 0.441 nan 8.270 nan 0.000 0.455 514 A N 0.000 122.826 122.820 0.010 0.000 2.021 514 A HA 0.027 4.347 4.320 0.001 0.000 0.216 514 A C 0.818 178.433 177.584 0.052 0.000 1.163 514 A CA 0.929 52.983 52.037 0.029 0.000 0.676 514 A CB -0.206 18.825 19.000 0.051 0.000 0.818 514 A HN 0.562 nan 8.150 nan 0.000 0.453 515 N N -2.054 116.697 118.700 0.085 0.000 2.776 515 N HA -0.142 4.599 4.740 0.001 0.000 0.249 515 N C -0.392 175.244 175.510 0.210 0.000 1.111 515 N CA 0.918 54.059 53.050 0.153 0.000 0.711 515 N CB -1.916 36.616 38.487 0.076 0.000 1.065 515 N HN 0.604 nan 8.380 nan 0.000 0.556 516 L N 0.596 121.937 121.223 0.197 0.000 2.322 516 L HA 0.626 4.967 4.340 0.001 0.000 0.281 516 L C -0.440 176.602 176.870 0.287 0.000 1.014 516 L CA -0.905 54.074 54.840 0.232 0.000 0.815 516 L CB 0.999 43.156 42.059 0.162 0.000 1.247 516 L HN 0.198 nan 8.230 nan 0.000 0.421 517 Y N 4.743 125.158 120.300 0.191 0.000 2.659 517 Y HA 0.846 5.396 4.550 0.001 0.000 0.333 517 Y C -0.853 175.161 175.900 0.190 0.000 1.064 517 Y CA -0.408 57.791 58.100 0.165 0.000 1.141 517 Y CB 2.184 40.750 38.460 0.176 0.000 1.316 517 Y HN 0.758 nan 8.280 nan 0.000 0.509 518 A N 2.655 125.003 122.820 -0.786 0.000 2.580 518 A HA 0.514 4.834 4.320 0.001 0.000 0.301 518 A C -2.036 175.315 177.584 -0.389 0.000 1.054 518 A CA -0.485 51.274 52.037 -0.463 0.000 0.751 518 A CB -0.125 18.642 19.000 -0.389 0.000 1.275 518 A HN 0.890 nan 8.150 nan 0.000 0.403 519 F N -0.098 119.786 119.950 -0.111 0.000 2.764 519 F HA 0.957 5.484 4.527 0.001 0.000 0.347 519 F C -0.675 175.213 175.800 0.147 0.000 1.151 519 F CA -1.670 56.361 58.000 0.053 0.000 1.021 519 F CB 1.353 40.449 39.000 0.159 0.000 1.438 519 F HN 0.425 nan 8.300 nan 0.000 0.516 520 V N 1.926 121.955 119.914 0.192 0.000 2.610 520 V HA 0.453 4.574 4.120 0.001 0.000 0.298 520 V C -0.879 175.219 176.094 0.007 0.000 1.067 520 V CA -0.795 61.471 62.300 -0.057 0.000 0.894 520 V CB 1.736 33.350 31.823 -0.348 0.000 1.015 520 V HN 0.676 nan 8.190 nan 0.000 0.432 521 R N 2.444 122.965 120.500 0.035 0.000 2.349 521 R HA 0.775 5.116 4.340 0.001 0.000 0.299 521 R C -0.467 175.817 176.300 -0.026 0.000 1.027 521 R CA -0.369 55.749 56.100 0.031 0.000 0.958 521 R CB 1.568 31.911 30.300 0.071 0.000 1.047 521 R HN 0.687 nan 8.270 nan 0.000 0.468 522 T N 1.034 115.574 114.554 -0.024 0.000 2.991 522 T HA 0.174 4.525 4.350 0.001 0.000 0.303 522 T C 0.446 175.177 174.700 0.052 0.000 1.015 522 T CA -0.507 61.617 62.100 0.039 0.000 1.007 522 T CB 2.382 71.236 68.868 -0.024 0.000 1.034 522 T HN 0.331 nan 8.240 nan 0.000 0.446 523 V N 2.846 122.809 119.914 0.082 0.000 2.602 523 V HA 0.152 4.272 4.120 0.001 0.000 0.235 523 V C 1.253 177.380 176.094 0.057 0.000 1.087 523 V CA 1.214 63.543 62.300 0.049 0.000 1.117 523 V CB 0.467 32.314 31.823 0.039 0.000 0.820 523 V HN 0.834 nan 8.190 nan 0.000 0.490 524 Q N -0.858 118.986 119.800 0.074 0.000 2.558 524 Q HA 0.147 4.487 4.340 0.001 0.000 0.186 524 Q C 1.290 177.333 176.000 0.071 0.000 0.894 524 Q CA 1.087 56.926 55.803 0.059 0.000 0.830 524 Q CB 0.268 29.035 28.738 0.048 0.000 1.107 524 Q HN 0.530 nan 8.270 nan 0.000 0.620 525 D N -0.082 120.353 120.400 0.059 0.000 2.454 525 D HA 0.027 4.667 4.640 0.001 0.000 0.219 525 D C -0.209 176.092 176.300 0.002 0.000 1.081 525 D CA -0.024 53.977 54.000 0.003 0.000 0.867 525 D CB 0.638 41.419 40.800 -0.032 0.000 1.054 525 D HN 0.021 nan 8.370 nan 0.000 0.500 526 Q N 1.118 120.989 119.800 0.119 0.000 2.286 526 Q HA 0.014 4.354 4.340 0.001 0.000 0.290 526 Q C -0.781 175.436 176.000 0.362 0.000 1.049 526 Q CA 0.672 56.611 55.803 0.226 0.000 0.923 526 Q CB 0.291 29.193 28.738 0.274 0.000 1.183 526 Q HN 0.355 nan 8.270 nan 0.000 0.383 527 H N 1.734 120.915 119.070 0.186 0.000 2.572 527 H HA 0.621 5.177 4.556 0.001 0.000 0.359 527 H C -1.219 174.235 175.328 0.210 0.000 1.134 527 H CA -1.285 54.831 56.048 0.113 0.000 1.187 527 H CB 1.990 31.770 29.762 0.030 0.000 1.597 527 H HN 0.377 nan 8.280 nan 0.000 0.524 528 V N 1.706 121.738 119.914 0.196 0.000 2.733 528 V HA 0.497 4.618 4.120 0.001 0.000 0.306 528 V C -0.088 175.995 176.094 -0.017 0.000 1.084 528 V CA -0.817 61.576 62.300 0.155 0.000 0.905 528 V CB 2.007 33.889 31.823 0.098 0.000 1.010 528 V HN 0.959 nan 8.190 nan 0.000 0.424 529 G N 2.598 111.376 108.800 -0.037 0.000 2.609 529 G HA2 0.616 4.577 3.960 0.001 0.000 0.308 529 G HA3 0.616 4.577 3.960 0.001 0.000 0.308 529 G C -1.222 173.646 174.900 -0.052 0.000 1.369 529 G CA -0.525 44.541 45.100 -0.057 0.000 0.958 529 G HN 0.544 nan 8.290 nan 0.000 0.499 530 V N 2.683 122.373 119.914 -0.373 0.000 2.383 530 V HA 0.305 4.425 4.120 0.001 0.000 0.275 530 V C 0.009 175.945 176.094 -0.263 0.000 1.036 530 V CA -0.601 61.483 62.300 -0.360 0.000 0.889 530 V CB 1.460 32.943 31.823 -0.566 0.000 0.985 530 V HN 0.485 nan 8.190 nan 0.000 0.459 531 V N 7.317 127.168 119.914 -0.106 0.000 2.294 531 V HA 0.368 4.489 4.120 0.001 0.000 0.272 531 V C -0.086 176.038 176.094 0.050 0.000 1.027 531 V CA -0.308 61.930 62.300 -0.103 0.000 0.823 531 V CB 1.054 32.768 31.823 -0.182 0.000 1.030 531 V HN 0.646 nan 8.190 nan 0.000 0.457 532 L N 4.405 125.728 121.223 0.167 0.000 2.259 532 L HA 0.469 4.810 4.340 0.001 0.000 0.288 532 L C 0.373 177.400 176.870 0.262 0.000 1.051 532 L CA -0.262 54.754 54.840 0.293 0.000 0.824 532 L CB 0.604 42.979 42.059 0.527 0.000 1.206 532 L HN 0.486 nan 8.230 nan 0.000 0.429 533 N N 2.475 121.290 118.700 0.192 0.000 3.083 533 N HA 0.030 4.770 4.740 0.001 0.000 0.260 533 N C -0.078 175.546 175.510 0.190 0.000 1.163 533 N CA -0.236 52.903 53.050 0.148 0.000 1.060 533 N CB 0.172 38.703 38.487 0.073 0.000 1.345 533 N HN 0.397 nan 8.380 nan 0.000 0.515 534 N N 2.360 121.174 118.700 0.190 0.000 2.739 534 N HA 0.170 4.910 4.740 0.001 0.000 0.266 534 N C -1.063 174.533 175.510 0.143 0.000 1.168 534 N CA 0.016 53.159 53.050 0.155 0.000 1.055 534 N CB -0.126 38.193 38.487 -0.280 0.000 1.393 534 N HN 0.513 nan 8.380 nan 0.000 0.514 535 R N 0.445 121.047 120.500 0.170 0.000 2.664 535 R HA 0.332 4.673 4.340 0.001 0.000 0.260 535 R C 0.088 176.020 176.300 -0.614 0.000 1.062 535 R CA -0.695 55.362 56.100 -0.072 0.000 0.902 535 R CB 0.504 30.765 30.300 -0.066 0.000 1.258 535 R HN 0.334 nan 8.270 nan 0.000 0.465 536 G N 2.215 110.707 108.800 -0.514 0.000 3.340 536 G HA2 0.110 4.071 3.960 0.001 0.000 0.240 536 G HA3 0.110 4.071 3.960 0.001 0.000 0.240 536 G C -0.377 174.317 174.900 -0.343 0.000 1.327 536 G CA 0.322 45.059 45.100 -0.604 0.000 1.170 536 G HN 0.394 nan 8.290 nan 0.000 0.520 537 E N -0.482 119.539 120.200 -0.299 0.000 2.408 537 E HA 0.274 4.624 4.350 0.001 0.000 0.275 537 E C -0.971 175.538 176.600 -0.153 0.000 0.935 537 E CA -0.819 55.476 56.400 -0.175 0.000 0.775 537 E CB 2.211 31.842 29.700 -0.115 0.000 1.277 537 E HN 0.129 nan 8.360 nan 0.000 0.455 538 K N 1.669 122.006 120.400 -0.105 0.000 2.172 538 K HA 0.281 4.602 4.320 0.001 0.000 0.276 538 K C -0.510 176.055 176.600 -0.059 0.000 1.013 538 K CA 0.011 56.251 56.287 -0.078 0.000 0.913 538 K CB 0.786 33.249 32.500 -0.062 0.000 1.055 538 K HN 0.378 nan 8.250 nan 0.000 0.461 539 Q N 1.298 121.069 119.800 -0.049 0.000 2.615 539 Q HA 0.420 4.761 4.340 0.001 0.000 0.298 539 Q C -1.223 174.754 176.000 -0.039 0.000 1.023 539 Q CA -1.182 54.598 55.803 -0.039 0.000 0.768 539 Q CB 2.411 31.131 28.738 -0.030 0.000 1.500 539 Q HN 0.559 nan 8.270 nan 0.000 0.441 540 T N 0.723 115.253 114.554 -0.040 0.000 2.912 540 T HA 0.642 4.992 4.350 0.001 0.000 0.299 540 T C -0.915 173.743 174.700 -0.070 0.000 1.052 540 T CA -0.705 61.364 62.100 -0.052 0.000 0.996 540 T CB 1.685 70.528 68.868 -0.041 0.000 1.070 540 T HN 0.519 nan 8.240 nan 0.000 0.465 541 V N 0.271 120.115 119.914 -0.115 0.000 3.049 541 V HA 0.733 4.853 4.120 0.001 0.000 0.309 541 V C -1.383 174.577 176.094 -0.224 0.000 1.148 541 V CA -1.298 60.889 62.300 -0.188 0.000 0.990 541 V CB 1.847 33.489 31.823 -0.302 0.000 1.039 541 V HN 0.817 nan 8.190 nan 0.000 0.430 542 L N 4.154 125.234 121.223 -0.238 0.000 2.297 542 L HA 0.513 4.854 4.340 0.001 0.000 0.277 542 L C -0.468 176.241 176.870 -0.269 0.000 1.040 542 L CA -0.294 54.441 54.840 -0.175 0.000 0.867 542 L CB 1.082 43.094 42.059 -0.079 0.000 1.244 542 L HN 0.522 nan 8.230 nan 0.000 0.433 543 L N 3.607 124.644 121.223 -0.311 0.000 2.281 543 L HA 0.242 4.582 4.340 0.001 0.000 0.285 543 L C 0.428 177.336 176.870 0.063 0.000 1.074 543 L CA -0.735 53.891 54.840 -0.357 0.000 0.817 543 L CB 0.607 42.193 42.059 -0.788 0.000 1.168 543 L HN 0.512 nan 8.230 nan 0.000 0.434 544 Q N 3.889 123.792 119.800 0.171 0.000 2.282 544 Q HA 0.047 4.388 4.340 0.001 0.000 0.276 544 Q C -0.157 176.061 176.000 0.365 0.000 1.198 544 Q CA 0.136 56.087 55.803 0.247 0.000 0.943 544 Q CB 0.438 29.308 28.738 0.219 0.000 1.275 544 Q HN 0.541 nan 8.270 nan 0.000 0.424 545 V N 1.183 121.275 119.914 0.296 0.000 2.225 545 V HA 0.322 4.442 4.120 0.001 0.000 0.264 545 V C -2.265 173.980 176.094 0.253 0.000 1.067 545 V CA -2.390 60.087 62.300 0.295 0.000 0.903 545 V CB 0.778 32.864 31.823 0.439 0.000 1.136 545 V HN 0.393 nan 8.190 nan 0.000 0.456 546 P HA 0.029 nan 4.420 nan 0.000 0.258 546 P C 0.756 178.142 177.300 0.144 0.000 1.187 546 P CA 0.516 63.696 63.100 0.132 0.000 0.767 546 P CB 0.707 32.464 31.700 0.095 0.000 0.770 547 E N 1.922 122.195 120.200 0.122 0.000 2.492 547 E HA -0.185 4.166 4.350 0.001 0.000 0.204 547 E C 1.813 178.438 176.600 0.041 0.000 1.073 547 E CA 1.066 57.514 56.400 0.081 0.000 0.887 547 E CB -0.116 29.609 29.700 0.041 0.000 0.813 547 E HN 0.605 nan 8.360 nan 0.000 0.562 548 S N 0.741 116.472 115.700 0.051 0.000 2.482 548 S HA -0.178 4.293 4.470 0.001 0.000 0.226 548 S C 1.795 176.395 174.600 0.000 0.000 1.048 548 S CA 1.111 59.326 58.200 0.025 0.000 1.158 548 S CB -0.920 62.302 63.200 0.037 0.000 1.130 548 S HN 0.291 nan 8.310 nan 0.000 0.413 549 G N 0.992 109.798 108.800 0.010 0.000 3.717 549 G HA2 0.522 4.482 3.960 0.001 0.000 0.258 549 G HA3 0.522 4.482 3.960 0.001 0.000 0.258 549 G C 0.317 175.188 174.900 -0.049 0.000 1.088 549 G CA -0.155 44.910 45.100 -0.058 0.000 1.737 549 G HN 1.322 nan 8.290 nan 0.000 0.648 550 G N 0.586 109.361 108.800 -0.041 0.000 3.101 550 G HA2 0.119 4.080 3.960 0.001 0.000 0.672 550 G HA3 0.119 4.080 3.960 0.001 0.000 0.672 550 G C -0.015 174.793 174.900 -0.154 0.000 1.331 550 G CA -0.320 44.719 45.100 -0.100 0.000 0.925 550 G HN 0.775 nan 8.290 nan 0.000 0.596 551 K N -0.244 119.863 120.400 -0.489 0.000 2.533 551 K HA 0.529 4.849 4.320 0.001 0.000 0.202 551 K C 0.087 176.147 176.600 -0.900 0.000 1.096 551 K CA -0.150 55.814 56.287 -0.539 0.000 1.056 551 K CB 1.329 33.705 32.500 -0.208 0.000 0.890 551 K HN 0.477 nan 8.250 nan 0.000 0.552 552 T N 1.133 114.866 114.554 -1.369 0.000 3.295 552 T HA 0.339 4.689 4.350 0.001 0.000 0.331 552 T C -1.810 172.232 174.700 -1.096 0.000 1.142 552 T CA -0.674 60.867 62.100 -0.932 0.000 1.078 552 T CB 1.125 69.816 68.868 -0.295 0.000 1.150 552 T HN 0.191 nan 8.240 nan 0.000 0.465 553 W N 2.625 123.949 121.300 0.041 0.000 2.864 553 W HA 0.678 5.339 4.660 0.001 0.000 0.343 553 W C -0.936 175.608 176.519 0.043 0.000 1.109 553 W CA -1.046 56.315 57.345 0.027 0.000 1.192 553 W CB 1.760 31.268 29.460 0.081 0.000 1.426 553 W HN 0.405 nan 8.180 nan 0.000 0.529 554 L N 2.603 123.995 121.223 0.282 0.000 2.313 554 L HA 0.261 4.602 4.340 0.001 0.000 0.283 554 L C -0.118 176.922 176.870 0.283 0.000 1.013 554 L CA -0.431 54.548 54.840 0.231 0.000 0.816 554 L CB 1.131 43.310 42.059 0.200 0.000 1.236 554 L HN 0.247 nan 8.230 nan 0.000 0.419 555 D N 3.808 124.332 120.400 0.207 0.000 2.383 555 D HA 0.043 4.683 4.640 0.001 0.000 0.245 555 D C 1.044 177.445 176.300 0.169 0.000 1.263 555 D CA -0.149 53.957 54.000 0.177 0.000 0.936 555 D CB 0.815 41.690 40.800 0.125 0.000 1.053 555 D HN 0.630 nan 8.370 nan 0.000 0.507 556 C N 3.531 122.941 119.300 0.184 0.000 2.398 556 C HA -0.160 4.300 4.460 0.001 0.000 0.282 556 C C 2.545 177.596 174.990 0.101 0.000 1.275 556 C CA 0.337 59.437 59.018 0.138 0.000 1.797 556 C CB -0.921 26.865 27.740 0.078 0.000 1.991 556 C HN 0.677 nan 8.230 nan 0.000 0.505 557 L N 0.181 121.467 121.223 0.105 0.000 2.062 557 L HA -0.023 4.317 4.340 0.001 0.000 0.202 557 L C 2.531 179.456 176.870 0.091 0.000 1.079 557 L CA 1.985 56.887 54.840 0.103 0.000 0.755 557 L CB -0.989 41.142 42.059 0.120 0.000 0.913 557 L HN 0.346 nan 8.230 nan 0.000 0.445 558 T N -2.952 111.652 114.554 0.084 0.000 3.206 558 T HA 0.253 4.603 4.350 0.001 0.000 0.253 558 T C 1.413 176.157 174.700 0.072 0.000 1.042 558 T CA 0.281 62.422 62.100 0.068 0.000 0.931 558 T CB 0.279 69.179 68.868 0.054 0.000 1.029 558 T HN 0.519 nan 8.240 nan 0.000 0.564 559 G N 1.581 110.435 108.800 0.090 0.000 2.262 559 G HA2 -0.394 3.567 3.960 0.001 0.000 0.269 559 G HA3 -0.394 3.567 3.960 0.001 0.000 0.269 559 G C 0.045 174.997 174.900 0.088 0.000 0.984 559 G CA 0.898 46.055 45.100 0.096 0.000 0.649 559 G HN 0.894 nan 8.290 nan 0.000 0.548 560 E N 0.709 120.954 120.200 0.075 0.000 2.458 560 E HA 0.304 4.654 4.350 0.001 0.000 0.264 560 E C 0.366 177.009 176.600 0.072 0.000 1.097 560 E CA 0.362 56.798 56.400 0.061 0.000 0.973 560 E CB 0.272 30.000 29.700 0.047 0.000 0.963 560 E HN 0.553 nan 8.360 nan 0.000 0.451 561 E N 1.679 121.907 120.200 0.045 0.000 2.281 561 E HA 0.612 4.962 4.350 0.001 0.000 0.262 561 E C -1.758 174.806 176.600 -0.062 0.000 0.933 561 E CA -1.011 55.411 56.400 0.038 0.000 0.809 561 E CB 2.018 31.754 29.700 0.060 0.000 1.242 561 E HN 0.238 nan 8.360 nan 0.000 0.418 562 V N 2.223 122.057 119.914 -0.133 0.000 3.174 562 V HA 0.319 4.440 4.120 0.001 0.000 0.280 562 V C -1.921 173.967 176.094 -0.343 0.000 1.554 562 V CA -0.565 61.516 62.300 -0.365 0.000 1.016 562 V CB 2.101 33.900 31.823 -0.041 0.000 1.197 562 V HN 0.872 nan 8.190 nan 0.000 0.453 563 H N 2.573 121.663 119.070 0.034 0.000 2.855 563 H HA 0.747 5.303 4.556 0.001 0.000 0.363 563 H C -0.035 175.330 175.328 0.063 0.000 1.185 563 H CA -0.493 55.502 56.048 -0.087 0.000 1.174 563 H CB 2.167 31.859 29.762 -0.117 0.000 1.857 563 H HN 0.936 nan 8.280 nan 0.000 0.565 564 G N 0.724 109.609 108.800 0.141 0.000 2.370 564 G HA2 0.374 4.335 3.960 0.001 0.000 0.317 564 G HA3 0.374 4.335 3.960 0.001 0.000 0.317 564 G C -0.579 174.406 174.900 0.141 0.000 1.162 564 G CA -0.798 44.438 45.100 0.227 0.000 0.922 564 G HN 0.332 nan 8.290 nan 0.000 0.454 565 K N 2.659 123.134 120.400 0.126 0.000 2.310 565 K HA 0.162 4.482 4.320 0.001 0.000 0.290 565 K C 0.269 176.915 176.600 0.078 0.000 1.077 565 K CA -0.087 56.251 56.287 0.085 0.000 0.922 565 K CB 0.669 33.211 32.500 0.070 0.000 1.057 565 K HN 0.695 nan 8.250 nan 0.000 0.479 566 Q N 1.396 121.233 119.800 0.062 0.000 2.453 566 Q HA -0.273 4.068 4.340 0.001 0.000 0.294 566 Q C 0.696 176.742 176.000 0.076 0.000 1.295 566 Q CA 0.466 56.303 55.803 0.056 0.000 0.853 566 Q CB -1.933 26.832 28.738 0.046 0.000 1.193 566 Q HN 1.198 nan 8.270 nan 0.000 0.461 567 G N -0.657 108.203 108.800 0.100 0.000 2.189 567 G HA2 -0.360 3.600 3.960 0.001 0.000 0.267 567 G HA3 -0.360 3.600 3.960 0.001 0.000 0.267 567 G C -0.027 174.972 174.900 0.164 0.000 0.975 567 G CA 0.723 45.903 45.100 0.134 0.000 0.644 567 G HN 0.443 nan 8.290 nan 0.000 0.537 568 Q N -0.391 119.493 119.800 0.141 0.000 2.347 568 Q HA 0.628 4.969 4.340 0.001 0.000 0.262 568 Q C -0.580 175.508 176.000 0.147 0.000 0.980 568 Q CA -0.879 55.000 55.803 0.126 0.000 0.867 568 Q CB 2.180 30.963 28.738 0.076 0.000 1.242 568 Q HN 0.261 nan 8.270 nan 0.000 0.453 569 L N 3.371 124.693 121.223 0.165 0.000 2.260 569 L HA 0.304 4.644 4.340 0.001 0.000 0.289 569 L C -0.603 176.289 176.870 0.037 0.000 1.057 569 L CA 0.168 55.112 54.840 0.175 0.000 0.811 569 L CB 0.615 42.812 42.059 0.230 0.000 1.184 569 L HN 0.383 nan 8.230 nan 0.000 0.429 570 K N 4.224 124.648 120.400 0.041 0.000 2.205 570 K HA 0.644 4.965 4.320 0.001 0.000 0.279 570 K C -1.507 175.079 176.600 -0.023 0.000 1.027 570 K CA -0.566 55.714 56.287 -0.012 0.000 0.932 570 K CB 0.766 33.268 32.500 0.003 0.000 1.032 570 K HN 0.558 nan 8.250 nan 0.000 0.466 571 L N 1.954 123.139 121.223 -0.064 0.000 2.505 571 L HA 0.372 4.713 4.340 0.001 0.000 0.259 571 L C -1.126 175.705 176.870 -0.065 0.000 0.952 571 L CA -0.261 54.541 54.840 -0.063 0.000 0.840 571 L CB 2.615 44.614 42.059 -0.101 0.000 1.358 571 L HN 0.629 nan 8.230 nan 0.000 0.409 572 T N 3.674 118.202 114.554 -0.044 0.000 2.861 572 T HA 0.776 5.126 4.350 0.001 0.000 0.287 572 T C -0.976 173.704 174.700 -0.032 0.000 1.003 572 T CA -0.456 61.621 62.100 -0.039 0.000 0.977 572 T CB 1.201 70.052 68.868 -0.030 0.000 0.996 572 T HN 0.314 nan 8.240 nan 0.000 0.448 573 L N 2.600 123.803 121.223 -0.032 0.000 2.386 573 L HA 0.599 4.940 4.340 0.001 0.000 0.271 573 L C 0.546 177.400 176.870 -0.028 0.000 0.993 573 L CA -1.188 53.639 54.840 -0.021 0.000 0.819 573 L CB 2.085 44.137 42.059 -0.011 0.000 1.294 573 L HN 0.434 nan 8.230 nan 0.000 0.414 574 R N 1.584 122.071 120.500 -0.022 0.000 2.863 574 R HA 0.152 4.492 4.340 0.001 0.000 0.273 574 R C -2.241 174.026 176.300 -0.056 0.000 1.057 574 R CA -1.130 54.949 56.100 -0.035 0.000 1.191 574 R CB -0.078 30.209 30.300 -0.022 0.000 1.104 574 R HN 0.328 nan 8.270 nan 0.000 0.519 575 P HA -0.106 nan 4.420 nan 0.000 0.267 575 P C -0.677 176.558 177.300 -0.108 0.000 1.200 575 P CA 0.617 63.583 63.100 -0.223 0.000 0.772 575 P CB 0.135 31.651 31.700 -0.308 0.000 0.855 576 Y N -2.288 118.007 120.300 -0.009 0.000 4.755 576 Y HA -0.346 4.205 4.550 0.001 0.000 0.219 576 Y C 1.199 177.105 175.900 0.009 0.000 1.022 576 Y CA 0.068 58.168 58.100 0.001 0.000 1.913 576 Y CB -1.265 37.190 38.460 -0.009 0.000 1.614 576 Y HN 0.462 nan 8.280 nan 0.000 0.585 577 Q N 1.242 121.115 119.800 0.122 0.000 2.432 577 Q HA 0.386 4.726 4.340 0.001 0.000 0.264 577 Q C 0.515 176.577 176.000 0.103 0.000 1.035 577 Q CA 0.621 56.472 55.803 0.081 0.000 0.908 577 Q CB 0.967 29.727 28.738 0.036 0.000 1.280 577 Q HN 0.330 nan 8.270 nan 0.000 0.455 578 G N 3.083 111.943 108.800 0.100 0.000 2.542 578 G HA2 0.602 4.562 3.960 0.001 0.000 0.311 578 G HA3 0.602 4.562 3.960 0.001 0.000 0.311 578 G C -1.074 173.885 174.900 0.097 0.000 1.298 578 G CA -0.675 44.500 45.100 0.124 0.000 0.973 578 G HN 0.563 nan 8.290 nan 0.000 0.487 579 M N 2.031 121.676 119.600 0.075 0.000 2.321 579 M HA 0.444 4.925 4.480 0.001 0.000 0.315 579 M C -0.843 175.491 176.300 0.056 0.000 1.052 579 M CA -0.516 54.820 55.300 0.059 0.000 0.936 579 M CB 2.562 35.178 32.600 0.026 0.000 1.639 579 M HN 0.268 nan 8.290 nan 0.000 0.433 580 I N 4.687 125.305 120.570 0.080 0.000 2.460 580 I HA 0.252 4.423 4.170 0.001 0.000 0.277 580 I C -1.087 175.107 176.117 0.127 0.000 1.057 580 I CA -0.703 60.643 61.300 0.077 0.000 1.179 580 I CB 0.743 38.787 38.000 0.073 0.000 1.329 580 I HN 0.420 nan 8.210 nan 0.000 0.478 581 L N 5.615 126.917 121.223 0.132 0.000 2.290 581 L HA 0.308 4.648 4.340 0.001 0.000 0.284 581 L C -0.427 176.633 176.870 0.318 0.000 1.078 581 L CA 0.183 55.154 54.840 0.217 0.000 0.815 581 L CB 0.513 42.653 42.059 0.135 0.000 1.162 581 L HN 0.452 nan 8.230 nan 0.000 0.435 582 W N 4.365 125.785 121.300 0.199 0.000 2.578 582 W HA 0.343 5.003 4.660 0.001 0.000 0.346 582 W C 0.731 177.476 176.519 0.377 0.000 1.075 582 W CA -1.025 56.445 57.345 0.208 0.000 1.233 582 W CB 1.031 30.574 29.460 0.138 0.000 1.358 582 W HN 0.688 nan 8.180 nan 0.000 0.574 583 N N 2.655 121.447 118.700 0.154 0.000 2.238 583 N HA 0.158 4.898 4.740 0.001 0.000 0.222 583 N C 1.126 176.266 175.510 -0.618 0.000 1.133 583 N CA 0.563 53.608 53.050 -0.008 0.000 0.854 583 N CB 0.219 38.850 38.487 0.241 0.000 1.041 583 N HN 0.885 nan 8.380 nan 0.000 0.510 584 G N 1.367 109.157 108.800 -1.684 0.000 2.674 584 G HA2 -0.418 3.542 3.960 0.001 0.000 0.236 584 G HA3 -0.418 3.542 3.960 0.001 0.000 0.236 584 G C 0.537 175.025 174.900 -0.686 0.000 1.178 584 G CA 0.545 44.650 45.100 -1.658 0.000 0.721 584 G HN 0.530 nan 8.290 nan 0.000 0.515 585 R N 0.000 120.324 120.500 -0.293 0.000 2.786 585 R HA 0.000 4.340 4.340 0.001 0.000 0.208 585 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 585 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535