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 1fpm_1_A DATA FIRST_RESID 7 DATA SEQUENCE DIEIAQAAKM KPVMELARGL GIQEDEVELY GKYKAKISLD VYRRLKDKPD DATA SEQUENCE GKLILVTAIT PTPAGEGKTT TSVGLTDALA RLGKRVMVCL REPSLGPSFG DATA SEQUENCE IKGGAAGGGY AQVVPMEDIN LHFTGDIHAV TYAHNLLAAM VDNHLQQGNV DATA SEQUENCE LNIDPRTITW RRVIDLNDRA LRNIVIGLGG KANGVPRETG FDISVASEVM DATA SEQUENCE ACLCLASDLM DLKERFSRIV VGYTYDGKPV TAGDLEAQGS MALLMKDAIK DATA SEQUENCE PNLVQTLENT PAFIHGGPFA NIAHGCNSII ATKTALKLAD YVVTEAGFGA DATA SEQUENCE DLGAEKFYDV KCRYAGFKPD ATVIVATVRA LKMHGGVPKS DLATENLEAL DATA SEQUENCE REGFANLEKH IENIGKFGVP AVVAINAFPT DTEAELNLLY ELCAKAGAEV DATA SEQUENCE ALSXXWAKGG EGGLELARKV LQTLESRPSN FHVLYNLDLS IKDKIAKIAT DATA SEQUENCE EIYGADGVNY TAEADKAIQR YESLGYGNLP VVMAKTQYSF SDDMTKLGRP DATA SEQUENCE RNFTITVREV RLSAGGRLIV PITGAIMTMP GLPKRPAACN IDIDADGVIT DATA SEQUENCE G 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.229 176.300 -0.119 0.000 2.045 7 D CA 0.000 53.937 54.000 -0.106 0.000 0.868 7 D CB 0.000 40.762 40.800 -0.063 0.000 0.688 8 I N 0.016 120.546 120.570 -0.066 0.000 3.060 8 I HA 0.241 4.411 4.170 0.001 0.000 0.285 8 I C 1.509 177.577 176.117 -0.082 0.000 1.190 8 I CA -0.422 60.858 61.300 -0.033 0.000 1.363 8 I CB 0.616 38.607 38.000 -0.015 0.000 1.396 8 I HN -0.176 nan 8.210 nan 0.000 0.607 9 E N 1.535 121.711 120.200 -0.041 0.000 2.085 9 E HA -0.224 4.126 4.350 0.001 0.000 0.194 9 E C 1.888 178.431 176.600 -0.096 0.000 0.994 9 E CA 1.661 58.013 56.400 -0.081 0.000 0.801 9 E CB -0.061 29.643 29.700 0.007 0.000 0.743 9 E HN 0.763 nan 8.360 nan 0.000 0.453 10 I N 0.403 120.935 120.570 -0.063 0.000 2.761 10 I HA -0.102 4.069 4.170 0.001 0.000 0.261 10 I C 2.021 178.098 176.117 -0.066 0.000 1.198 10 I CA 0.399 61.662 61.300 -0.061 0.000 1.482 10 I CB 0.053 38.024 38.000 -0.047 0.000 1.100 10 I HN -0.009 nan 8.210 nan 0.000 0.445 11 A N -0.042 122.736 122.820 -0.070 0.000 2.225 11 A HA -0.128 4.192 4.320 0.001 0.000 0.215 11 A C 1.212 178.748 177.584 -0.079 0.000 1.164 11 A CA 0.676 52.674 52.037 -0.064 0.000 0.710 11 A CB -0.517 18.448 19.000 -0.059 0.000 0.780 11 A HN 0.612 nan 8.150 nan 0.000 0.473 12 Q N 0.355 120.089 119.800 -0.110 0.000 2.771 12 Q HA 0.522 4.862 4.340 0.001 0.000 0.239 12 Q C -0.526 175.428 176.000 -0.076 0.000 1.231 12 Q CA -0.247 55.486 55.803 -0.117 0.000 1.056 12 Q CB 0.866 29.460 28.738 -0.240 0.000 1.284 12 Q HN 0.412 nan 8.270 nan 0.000 0.558 13 A N 1.608 124.397 122.820 -0.053 0.000 2.267 13 A HA 0.831 5.151 4.320 0.001 0.000 0.315 13 A C -0.658 176.905 177.584 -0.035 0.000 1.297 13 A CA -0.416 51.592 52.037 -0.048 0.000 0.865 13 A CB 0.763 19.734 19.000 -0.048 0.000 1.165 13 A HN 0.542 nan 8.150 nan 0.000 0.513 14 A N 2.511 125.313 122.820 -0.031 0.000 2.555 14 A HA 0.671 4.992 4.320 0.001 0.000 0.297 14 A C -0.288 177.289 177.584 -0.012 0.000 1.060 14 A CA -0.862 51.166 52.037 -0.015 0.000 0.710 14 A CB 0.593 19.597 19.000 0.006 0.000 1.282 14 A HN 1.263 nan 8.150 nan 0.000 0.399 15 K N 1.177 121.575 120.400 -0.003 0.000 3.569 15 K HA -0.170 4.150 4.320 0.001 0.000 0.382 15 K C -0.510 176.118 176.600 0.046 0.000 0.865 15 K CA 1.416 57.718 56.287 0.024 0.000 0.865 15 K CB -1.039 31.480 32.500 0.032 0.000 1.719 15 K HN 0.641 nan 8.250 nan 0.000 0.338 16 M N 3.745 123.396 119.600 0.085 0.000 2.644 16 M HA 0.364 4.844 4.480 0.001 0.000 0.316 16 M C 0.206 176.704 176.300 0.330 0.000 1.200 16 M CA -0.806 54.601 55.300 0.178 0.000 0.944 16 M CB 2.117 34.790 32.600 0.121 0.000 1.691 16 M HN 0.255 nan 8.290 nan 0.000 0.471 17 K N 1.441 121.980 120.400 0.233 0.000 2.138 17 K HA 0.487 4.807 4.320 0.001 0.000 0.263 17 K C -2.559 174.053 176.600 0.021 0.000 0.965 17 K CA -1.762 54.597 56.287 0.121 0.000 0.868 17 K CB 1.010 33.544 32.500 0.055 0.000 1.083 17 K HN 0.217 nan 8.250 nan 0.000 0.443 18 P HA -0.124 nan 4.420 nan 0.000 0.261 18 P C 0.974 178.193 177.300 -0.136 0.000 1.183 18 P CA 0.013 62.925 63.100 -0.313 0.000 0.761 18 P CB 0.450 31.995 31.700 -0.259 0.000 0.785 19 V N 1.427 121.276 119.914 -0.108 0.000 2.828 19 V HA -0.239 3.881 4.120 0.001 0.000 0.260 19 V C 1.625 177.705 176.094 -0.025 0.000 1.101 19 V CA 1.649 63.934 62.300 -0.025 0.000 1.123 19 V CB -1.155 30.680 31.823 0.021 0.000 0.704 19 V HN 0.429 nan 8.190 nan 0.000 0.493 20 M N 0.444 120.016 119.600 -0.046 0.000 2.156 20 M HA -0.043 4.438 4.480 0.001 0.000 0.264 20 M C 2.213 178.498 176.300 -0.025 0.000 1.067 20 M CA 2.155 57.438 55.300 -0.028 0.000 1.131 20 M CB -0.824 31.753 32.600 -0.038 0.000 1.368 20 M HN 0.687 nan 8.290 nan 0.000 0.416 21 E N 0.128 120.306 120.200 -0.037 0.000 2.085 21 E HA -0.210 4.141 4.350 0.001 0.000 0.194 21 E C 2.090 178.680 176.600 -0.017 0.000 0.994 21 E CA 1.210 57.594 56.400 -0.026 0.000 0.801 21 E CB -0.024 29.659 29.700 -0.029 0.000 0.743 21 E HN 0.453 nan 8.360 nan 0.000 0.453 22 L N 0.320 121.532 121.223 -0.018 0.000 1.976 22 L HA -0.191 4.149 4.340 0.001 0.000 0.209 22 L C 2.770 179.629 176.870 -0.018 0.000 1.071 22 L CA 1.215 56.044 54.840 -0.018 0.000 0.746 22 L CB -0.669 41.377 42.059 -0.020 0.000 0.890 22 L HN 0.231 nan 8.230 nan 0.000 0.432 23 A N -0.006 122.808 122.820 -0.010 0.000 1.917 23 A HA -0.266 4.054 4.320 0.001 0.000 0.219 23 A C 2.338 179.929 177.584 0.010 0.000 1.182 23 A CA 1.929 53.971 52.037 0.008 0.000 0.633 23 A CB -0.571 18.446 19.000 0.029 0.000 0.819 23 A HN 0.336 nan 8.150 nan 0.000 0.448 24 R N -0.962 119.540 120.500 0.004 0.000 2.075 24 R HA -0.084 4.256 4.340 0.001 0.000 0.230 24 R C 1.843 178.145 176.300 0.003 0.000 1.140 24 R CA 1.137 57.239 56.100 0.004 0.000 0.928 24 R CB -0.807 29.491 30.300 -0.003 0.000 0.834 24 R HN 0.477 nan 8.270 nan 0.000 0.429 25 G N 0.284 109.083 108.800 -0.002 0.000 3.180 25 G HA2 0.158 4.118 3.960 0.001 0.000 0.246 25 G HA3 0.158 4.118 3.960 0.001 0.000 0.246 25 G C 0.341 175.240 174.900 -0.001 0.000 0.939 25 G CA 0.037 45.136 45.100 -0.001 0.000 1.920 25 G HN 0.148 nan 8.290 nan 0.000 0.612 26 L N -1.611 119.614 121.223 0.003 0.000 4.379 26 L HA 0.343 4.683 4.340 0.001 0.000 0.437 26 L C 1.377 178.258 176.870 0.019 0.000 0.984 26 L CA 1.284 56.127 54.840 0.006 0.000 1.693 26 L CB -0.167 41.888 42.059 -0.006 0.000 1.966 26 L HN 0.584 nan 8.230 nan 0.000 0.629 27 G N 0.832 109.643 108.800 0.019 0.000 2.154 27 G HA2 -0.165 3.795 3.960 0.001 0.000 0.186 27 G HA3 -0.165 3.795 3.960 0.001 0.000 0.186 27 G C 0.208 175.128 174.900 0.033 0.000 1.000 27 G CA 0.066 45.181 45.100 0.024 0.000 0.664 27 G HN 0.221 nan 8.290 nan 0.000 0.513 28 I N 1.595 122.189 120.570 0.039 0.000 2.365 28 I HA 0.240 4.410 4.170 0.001 0.000 0.291 28 I C 0.960 177.099 176.117 0.037 0.000 1.004 28 I CA -0.602 60.729 61.300 0.052 0.000 1.311 28 I CB 1.114 39.158 38.000 0.073 0.000 1.401 28 I HN 0.173 nan 8.210 nan 0.000 0.491 29 Q N 4.215 124.037 119.800 0.036 0.000 2.421 29 Q HA -0.001 4.339 4.340 0.001 0.000 0.255 29 Q C 0.929 176.944 176.000 0.025 0.000 1.013 29 Q CA -0.061 55.757 55.803 0.026 0.000 0.895 29 Q CB 1.136 29.888 28.738 0.023 0.000 1.271 29 Q HN 0.567 nan 8.270 nan 0.000 0.460 30 E N 1.510 121.719 120.200 0.016 0.000 2.153 30 E HA -0.232 4.119 4.350 0.001 0.000 0.194 30 E C 0.875 177.484 176.600 0.014 0.000 0.988 30 E CA 1.474 57.881 56.400 0.012 0.000 0.811 30 E CB 0.184 29.886 29.700 0.004 0.000 0.746 30 E HN 0.716 nan 8.360 nan 0.000 0.466 31 D N 0.156 120.565 120.400 0.015 0.000 2.371 31 D HA -0.147 4.493 4.640 0.001 0.000 0.221 31 D C 0.367 176.682 176.300 0.024 0.000 0.986 31 D CA 0.621 54.630 54.000 0.015 0.000 0.899 31 D CB -0.216 40.592 40.800 0.013 0.000 0.902 31 D HN 0.351 nan 8.370 nan 0.000 0.530 32 E N -0.084 120.136 120.200 0.033 0.000 2.496 32 E HA 0.260 4.610 4.350 0.001 0.000 0.202 32 E C -0.642 175.992 176.600 0.057 0.000 1.021 32 E CA -0.252 56.176 56.400 0.046 0.000 1.015 32 E CB 1.258 30.991 29.700 0.055 0.000 1.102 32 E HN 0.021 nan 8.360 nan 0.000 0.452 33 V N 1.677 121.619 119.914 0.047 0.000 2.409 33 V HA 0.157 4.277 4.120 0.001 0.000 0.290 33 V C -0.435 175.688 176.094 0.048 0.000 1.017 33 V CA -0.698 61.636 62.300 0.057 0.000 0.841 33 V CB 1.707 33.558 31.823 0.047 0.000 1.003 33 V HN 0.181 nan 8.190 nan 0.000 0.426 34 E N 4.856 125.103 120.200 0.078 0.000 1.993 34 E HA 0.414 4.764 4.350 0.001 0.000 0.271 34 E C -0.464 176.204 176.600 0.113 0.000 1.008 34 E CA -0.354 56.085 56.400 0.064 0.000 0.814 34 E CB 0.847 30.612 29.700 0.107 0.000 1.098 34 E HN 0.604 nan 8.360 nan 0.000 0.407 35 L N 3.711 124.942 121.223 0.013 0.000 2.473 35 L HA 0.096 4.436 4.340 0.001 0.000 0.268 35 L C -0.814 176.004 176.870 -0.086 0.000 1.215 35 L CA 0.210 55.071 54.840 0.034 0.000 0.823 35 L CB 0.332 42.376 42.059 -0.025 0.000 1.099 35 L HN 0.612 nan 8.230 nan 0.000 0.483 36 Y N 1.528 121.810 120.300 -0.031 0.000 2.359 36 Y HA 0.462 5.012 4.550 0.000 0.000 0.336 36 Y C 0.562 176.463 175.900 0.003 0.000 1.098 36 Y CA 0.086 58.168 58.100 -0.031 0.000 1.272 36 Y CB 1.282 39.696 38.460 -0.076 0.000 1.112 36 Y HN 0.805 nan 8.280 nan 0.000 0.481 37 G N 2.666 111.523 108.800 0.094 0.000 2.645 37 G HA2 -0.233 3.727 3.960 0.001 0.000 0.239 37 G HA3 -0.233 3.727 3.960 0.001 0.000 0.239 37 G C 0.386 175.318 174.900 0.052 0.000 1.331 37 G CA -0.263 44.905 45.100 0.113 0.000 0.890 37 G HN 0.416 nan 8.290 nan 0.000 0.572 38 K N -0.282 120.121 120.400 0.007 0.000 2.358 38 K HA 0.247 4.568 4.320 0.001 0.000 0.200 38 K C 0.247 176.580 176.600 -0.446 0.000 1.030 38 K CA 0.426 56.550 56.287 -0.273 0.000 1.097 38 K CB 0.765 32.979 32.500 -0.476 0.000 0.862 38 K HN 0.542 nan 8.250 nan 0.000 0.534 39 Y N 0.619 120.953 120.300 0.056 0.000 2.672 39 Y HA 0.360 4.911 4.550 0.000 0.000 0.272 39 Y C -0.303 175.642 175.900 0.074 0.000 1.055 39 Y CA -0.516 57.621 58.100 0.062 0.000 1.151 39 Y CB 0.791 39.289 38.460 0.063 0.000 1.190 39 Y HN -0.266 nan 8.280 nan 0.000 0.574 40 K N 0.759 121.259 120.400 0.166 0.000 2.578 40 K HA 0.857 5.177 4.320 0.001 0.000 0.269 40 K C -1.535 175.137 176.600 0.120 0.000 0.941 40 K CA -0.890 55.458 56.287 0.101 0.000 0.847 40 K CB 2.565 35.072 32.500 0.012 0.000 1.397 40 K HN 0.038 nan 8.250 nan 0.000 0.422 41 A N 1.880 124.746 122.820 0.077 0.000 2.594 41 A HA 0.495 4.815 4.320 0.001 0.000 0.296 41 A C -1.834 175.805 177.584 0.091 0.000 1.061 41 A CA -0.908 51.213 52.037 0.140 0.000 0.689 41 A CB 1.413 20.484 19.000 0.119 0.000 1.280 41 A HN 0.521 nan 8.150 nan 0.000 0.406 42 K N 1.991 122.472 120.400 0.136 0.000 2.404 42 K HA 0.450 4.771 4.320 0.001 0.000 0.257 42 K C -1.149 175.502 176.600 0.085 0.000 1.026 42 K CA -0.527 55.798 56.287 0.064 0.000 0.951 42 K CB 1.256 33.804 32.500 0.080 0.000 1.203 42 K HN 0.514 nan 8.250 nan 0.000 0.446 43 I N 1.949 122.572 120.570 0.087 0.000 2.496 43 I HA -0.056 4.115 4.170 0.001 0.000 0.285 43 I C 1.115 177.267 176.117 0.058 0.000 1.080 43 I CA 0.337 61.699 61.300 0.103 0.000 1.404 43 I CB 1.078 39.193 38.000 0.192 0.000 1.403 43 I HN 0.490 nan 8.210 nan 0.000 0.539 44 S N 5.020 120.760 115.700 0.066 0.000 2.563 44 S HA 0.071 4.541 4.470 0.001 0.000 0.284 44 S C 1.081 175.720 174.600 0.064 0.000 1.331 44 S CA -0.352 57.883 58.200 0.057 0.000 1.047 44 S CB 0.317 63.551 63.200 0.056 0.000 0.859 44 S HN 0.503 nan 8.310 nan 0.000 0.514 45 L N 3.277 124.537 121.223 0.062 0.000 2.622 45 L HA 0.088 4.429 4.340 0.001 0.000 0.233 45 L C 1.881 178.826 176.870 0.125 0.000 1.156 45 L CA 0.961 55.853 54.840 0.087 0.000 0.866 45 L CB -0.401 41.700 42.059 0.069 0.000 0.980 45 L HN 0.669 nan 8.230 nan 0.000 0.448 46 D N -0.987 119.467 120.400 0.089 0.000 2.178 46 D HA -0.112 4.528 4.640 0.001 0.000 0.202 46 D C 2.334 178.679 176.300 0.075 0.000 0.974 46 D CA 0.939 54.983 54.000 0.073 0.000 0.841 46 D CB 0.174 41.003 40.800 0.049 0.000 0.953 46 D HN 0.128 nan 8.370 nan 0.000 0.478 47 V N 1.040 121.011 119.914 0.094 0.000 2.252 47 V HA -0.307 3.813 4.120 0.001 0.000 0.249 47 V C 2.206 178.361 176.094 0.103 0.000 1.056 47 V CA 1.747 64.105 62.300 0.098 0.000 1.022 47 V CB -0.732 31.170 31.823 0.131 0.000 0.641 47 V HN 0.188 nan 8.190 nan 0.000 0.445 48 Y N 1.186 121.512 120.300 0.042 0.000 2.062 48 Y HA -0.290 4.261 4.550 0.000 0.000 0.272 48 Y C 2.821 178.741 175.900 0.033 0.000 1.117 48 Y CA 2.351 60.476 58.100 0.041 0.000 1.095 48 Y CB -0.707 37.775 38.460 0.036 0.000 0.985 48 Y HN 0.036 nan 8.280 nan 0.000 0.479 49 R N 0.659 121.184 120.500 0.042 0.000 2.234 49 R HA -0.319 4.021 4.340 0.001 0.000 0.262 49 R C 2.310 178.527 176.300 -0.138 0.000 1.150 49 R CA 2.781 58.855 56.100 -0.043 0.000 0.981 49 R CB -0.491 29.852 30.300 0.073 0.000 0.899 49 R HN 0.658 nan 8.270 nan 0.000 0.458 50 R N -0.132 120.313 120.500 -0.092 0.000 2.275 50 R HA 0.018 4.358 4.340 0.001 0.000 0.199 50 R C 1.716 177.946 176.300 -0.117 0.000 0.989 50 R CA 0.840 56.892 56.100 -0.080 0.000 1.016 50 R CB 0.006 30.286 30.300 -0.033 0.000 0.918 50 R HN 0.311 nan 8.270 nan 0.000 0.473 51 L N 0.594 121.701 121.223 -0.193 0.000 2.556 51 L HA 0.181 4.521 4.340 0.001 0.000 0.226 51 L C 2.248 178.959 176.870 -0.264 0.000 1.089 51 L CA 0.074 54.803 54.840 -0.186 0.000 0.864 51 L CB -0.186 41.796 42.059 -0.129 0.000 1.067 51 L HN 0.126 nan 8.230 nan 0.000 0.477 52 K N 0.876 120.997 120.400 -0.465 0.000 2.277 52 K HA -0.290 4.030 4.320 0.001 0.000 0.206 52 K C 1.081 177.584 176.600 -0.161 0.000 1.044 52 K CA 2.129 58.168 56.287 -0.413 0.000 0.932 52 K CB 0.029 32.315 32.500 -0.355 0.000 0.726 52 K HN 0.301 nan 8.250 nan 0.000 0.473 53 D N 0.140 120.469 120.400 -0.118 0.000 2.249 53 D HA -0.033 4.608 4.640 0.001 0.000 0.205 53 D C 0.417 176.692 176.300 -0.043 0.000 0.962 53 D CA 0.618 54.582 54.000 -0.061 0.000 0.860 53 D CB 0.152 40.922 40.800 -0.049 0.000 0.955 53 D HN 0.116 nan 8.370 nan 0.000 0.505 54 K N 1.577 121.946 120.400 -0.051 0.000 2.143 54 K HA 0.193 4.514 4.320 0.001 0.000 0.239 54 K C -1.926 174.664 176.600 -0.018 0.000 1.048 54 K CA -1.148 55.120 56.287 -0.031 0.000 0.867 54 K CB -0.813 31.668 32.500 -0.032 0.000 1.088 54 K HN 0.083 nan 8.250 nan 0.000 0.510 55 P HA 0.222 nan 4.420 nan 0.000 0.281 55 P C -0.788 176.509 177.300 -0.005 0.000 1.264 55 P CA -0.426 62.670 63.100 -0.007 0.000 0.824 55 P CB 0.717 32.408 31.700 -0.015 0.000 1.092 56 D N -0.286 120.115 120.400 0.003 0.000 2.354 56 D HA 0.350 4.991 4.640 0.001 0.000 0.247 56 D C 0.997 177.267 176.300 -0.049 0.000 1.138 56 D CA 0.139 54.138 54.000 -0.002 0.000 0.958 56 D CB 0.707 41.516 40.800 0.015 0.000 1.144 56 D HN 0.432 nan 8.370 nan 0.000 0.458 57 G N 0.152 108.911 108.800 -0.069 0.000 2.535 57 G HA2 0.217 4.177 3.960 0.001 0.000 0.282 57 G HA3 0.217 4.177 3.960 0.001 0.000 0.282 57 G C -0.100 174.723 174.900 -0.129 0.000 1.350 57 G CA -0.454 44.567 45.100 -0.132 0.000 1.039 57 G HN 0.146 nan 8.290 nan 0.000 0.509 58 K N 0.057 120.355 120.400 -0.171 0.000 2.258 58 K HA 0.283 4.603 4.320 0.001 0.000 0.284 58 K C -0.963 175.636 176.600 -0.002 0.000 1.051 58 K CA -0.622 55.626 56.287 -0.065 0.000 0.923 58 K CB 1.792 34.282 32.500 -0.018 0.000 1.046 58 K HN 0.167 nan 8.250 nan 0.000 0.474 59 L N 5.450 126.668 121.223 -0.008 0.000 2.257 59 L HA 0.400 4.741 4.340 0.001 0.000 0.290 59 L C -0.612 176.288 176.870 0.050 0.000 1.044 59 L CA -0.234 54.602 54.840 -0.007 0.000 0.810 59 L CB 0.393 42.414 42.059 -0.062 0.000 1.193 59 L HN 0.468 nan 8.230 nan 0.000 0.425 60 I N 6.334 126.930 120.570 0.042 0.000 2.354 60 I HA 0.280 4.450 4.170 0.001 0.000 0.286 60 I C -0.654 175.435 176.117 -0.046 0.000 1.007 60 I CA -0.767 60.551 61.300 0.030 0.000 1.167 60 I CB 1.574 39.594 38.000 0.034 0.000 1.320 60 I HN 0.460 nan 8.210 nan 0.000 0.458 61 L N 8.428 129.597 121.223 -0.090 0.000 2.275 61 L HA 0.575 4.916 4.340 0.001 0.000 0.288 61 L C -0.507 176.208 176.870 -0.260 0.000 1.046 61 L CA -0.206 54.427 54.840 -0.346 0.000 0.805 61 L CB 1.580 43.236 42.059 -0.671 0.000 1.193 61 L HN 0.467 nan 8.230 nan 0.000 0.426 62 V N 5.426 125.177 119.914 -0.273 0.000 2.472 62 V HA 0.715 4.836 4.120 0.001 0.000 0.290 62 V C -0.171 175.782 176.094 -0.234 0.000 1.037 62 V CA 0.412 62.600 62.300 -0.187 0.000 0.908 62 V CB 1.618 33.367 31.823 -0.124 0.000 0.985 62 V HN 1.034 nan 8.190 nan 0.000 0.454 63 T N 4.215 118.658 114.554 -0.186 0.000 2.645 63 T HA 0.935 5.285 4.350 0.001 0.000 0.273 63 T C -0.490 174.114 174.700 -0.160 0.000 0.960 63 T CA 0.108 62.088 62.100 -0.199 0.000 1.051 63 T CB 1.763 70.502 68.868 -0.214 0.000 1.366 63 T HN 1.619 nan 8.240 nan 0.000 0.536 64 A N 0.269 122.970 122.820 -0.198 0.000 2.568 64 A HA 0.800 5.120 4.320 0.001 0.000 0.291 64 A C -0.658 176.718 177.584 -0.346 0.000 1.159 64 A CA -0.802 51.118 52.037 -0.193 0.000 0.679 64 A CB 0.461 19.380 19.000 -0.136 0.000 1.285 64 A HN 1.066 nan 8.150 nan 0.000 0.428 65 I N -1.767 118.647 120.570 -0.259 0.000 3.021 65 I HA 0.509 4.680 4.170 0.001 0.000 0.303 65 I C 0.250 176.267 176.117 -0.168 0.000 1.044 65 I CA -0.402 60.728 61.300 -0.284 0.000 1.266 65 I CB 0.517 38.511 38.000 -0.010 0.000 1.447 65 I HN 0.518 nan 8.210 nan 0.000 0.593 66 T N 4.805 119.364 114.554 0.007 0.000 2.656 66 T HA 0.035 4.385 4.350 0.001 0.000 0.263 66 T C -2.158 172.607 174.700 0.108 0.000 1.017 66 T CA -0.202 61.901 62.100 0.004 0.000 1.216 66 T CB -0.897 68.019 68.868 0.080 0.000 0.989 66 T HN 0.511 nan 8.240 nan 0.000 0.507 67 P HA 0.197 nan 4.420 nan 0.000 0.276 67 P C -0.044 177.320 177.300 0.108 0.000 1.235 67 P CA -0.348 62.749 63.100 -0.005 0.000 0.772 67 P CB 0.791 32.446 31.700 -0.074 0.000 0.871 68 T N -0.313 114.272 114.554 0.051 0.000 2.926 68 T HA 0.485 4.836 4.350 0.001 0.000 0.289 68 T C -1.706 172.978 174.700 -0.027 0.000 1.054 68 T CA -2.176 59.920 62.100 -0.007 0.000 1.015 68 T CB 1.291 70.039 68.868 -0.200 0.000 1.167 68 T HN 0.133 nan 8.240 nan 0.000 0.526 69 P HA -0.047 nan 4.420 nan 0.000 0.221 69 P C 1.479 178.712 177.300 -0.112 0.000 1.145 69 P CA 1.112 64.148 63.100 -0.107 0.000 0.795 69 P CB -0.357 31.249 31.700 -0.157 0.000 0.775 70 A N -0.028 122.711 122.820 -0.135 0.000 1.972 70 A HA 0.292 4.612 4.320 0.001 0.000 0.219 70 A C 1.263 178.736 177.584 -0.185 0.000 1.169 70 A CA 1.336 53.271 52.037 -0.170 0.000 0.635 70 A CB -1.296 17.593 19.000 -0.186 0.000 0.810 70 A HN 0.459 nan 8.150 nan 0.000 0.446 71 G N -2.220 106.500 108.800 -0.133 0.000 2.663 71 G HA2 0.121 4.081 3.960 0.001 0.000 0.686 71 G HA3 0.121 4.081 3.960 0.001 0.000 0.686 71 G C -0.350 174.479 174.900 -0.118 0.000 1.246 71 G CA 0.135 45.161 45.100 -0.123 0.000 0.795 71 G HN 0.288 nan 8.290 nan 0.000 0.627 72 E N -0.431 119.716 120.200 -0.088 0.000 3.701 72 E HA 0.498 4.849 4.350 0.001 0.000 0.206 72 E C 1.129 177.697 176.600 -0.055 0.000 1.229 72 E CA 1.305 57.666 56.400 -0.065 0.000 1.573 72 E CB 0.076 29.748 29.700 -0.046 0.000 1.449 72 E HN 2.382 nan 8.360 nan 0.000 0.618 73 G N 1.882 110.651 108.800 -0.051 0.000 3.043 73 G HA2 -0.189 3.771 3.960 0.001 0.000 0.239 73 G HA3 -0.189 3.771 3.960 0.001 0.000 0.239 73 G C 0.253 175.139 174.900 -0.023 0.000 1.042 73 G CA 0.290 45.368 45.100 -0.035 0.000 1.189 73 G HN 0.065 nan 8.290 nan 0.000 0.578 74 K N -0.403 119.973 120.400 -0.040 0.000 1.995 74 K HA -0.009 4.311 4.320 0.001 0.000 0.207 74 K C 2.657 179.232 176.600 -0.042 0.000 1.041 74 K CA 1.747 58.003 56.287 -0.052 0.000 0.942 74 K CB -0.128 32.324 32.500 -0.079 0.000 0.731 74 K HN 0.364 nan 8.250 nan 0.000 0.439 75 T N 0.805 115.334 114.554 -0.042 0.000 2.720 75 T HA -0.133 4.217 4.350 0.001 0.000 0.268 75 T C 1.800 176.500 174.700 -0.000 0.000 1.037 75 T CA 1.912 63.993 62.100 -0.032 0.000 1.144 75 T CB -0.533 68.313 68.868 -0.037 0.000 0.864 75 T HN 0.353 nan 8.240 nan 0.000 0.444 76 T N 1.952 116.522 114.554 0.027 0.000 2.624 76 T HA -0.186 4.165 4.350 0.001 0.000 0.268 76 T C 2.250 176.989 174.700 0.064 0.000 1.041 76 T CA 1.983 64.129 62.100 0.077 0.000 1.159 76 T CB -0.881 68.067 68.868 0.135 0.000 0.863 76 T HN 0.422 nan 8.240 nan 0.000 0.434 77 T N 1.860 116.439 114.554 0.042 0.000 2.643 77 T HA -0.109 4.242 4.350 0.001 0.000 0.264 77 T C 2.438 177.142 174.700 0.008 0.000 1.045 77 T CA 1.527 63.646 62.100 0.030 0.000 1.155 77 T CB -0.609 68.268 68.868 0.015 0.000 0.863 77 T HN 0.356 nan 8.240 nan 0.000 0.420 78 S N 0.953 116.645 115.700 -0.013 0.000 2.393 78 S HA -0.169 4.302 4.470 0.001 0.000 0.234 78 S C 2.226 176.818 174.600 -0.013 0.000 1.064 78 S CA 1.503 59.687 58.200 -0.027 0.000 1.088 78 S CB -0.739 62.435 63.200 -0.044 0.000 0.939 78 S HN 0.314 nan 8.310 nan 0.000 0.448 79 V N 1.202 121.116 119.914 -0.001 0.000 2.407 79 V HA -0.019 4.101 4.120 0.001 0.000 0.245 79 V C 2.663 178.764 176.094 0.011 0.000 1.041 79 V CA 1.678 63.981 62.300 0.005 0.000 1.040 79 V CB -1.521 30.309 31.823 0.012 0.000 0.671 79 V HN 0.576 nan 8.190 nan 0.000 0.455 80 G N 0.425 109.240 108.800 0.025 0.000 2.421 80 G HA2 -0.269 3.691 3.960 0.001 0.000 0.216 80 G HA3 -0.269 3.691 3.960 0.001 0.000 0.216 80 G C 1.602 176.506 174.900 0.007 0.000 1.171 80 G CA 1.232 46.349 45.100 0.028 0.000 0.775 80 G HN 0.433 nan 8.290 nan 0.000 0.543 81 L N 1.191 122.414 121.223 -0.000 0.000 2.042 81 L HA -0.059 4.281 4.340 0.001 0.000 0.210 81 L C 2.807 179.659 176.870 -0.029 0.000 1.076 81 L CA 2.727 57.557 54.840 -0.018 0.000 0.749 81 L CB -1.101 40.946 42.059 -0.021 0.000 0.893 81 L HN 0.216 nan 8.230 nan 0.000 0.432 82 T N -0.342 114.200 114.554 -0.019 0.000 2.588 82 T HA -0.187 4.164 4.350 0.001 0.000 0.261 82 T C 1.527 176.212 174.700 -0.025 0.000 1.069 82 T CA 1.518 63.606 62.100 -0.020 0.000 1.172 82 T CB -0.539 68.323 68.868 -0.009 0.000 0.863 82 T HN 0.377 nan 8.240 nan 0.000 0.408 83 D N 1.290 121.681 120.400 -0.015 0.000 2.191 83 D HA -0.157 4.483 4.640 0.001 0.000 0.195 83 D C 2.223 178.507 176.300 -0.027 0.000 1.003 83 D CA 1.465 55.455 54.000 -0.016 0.000 0.867 83 D CB -0.472 40.325 40.800 -0.006 0.000 0.926 83 D HN 0.435 nan 8.370 nan 0.000 0.450 84 A N 0.631 123.432 122.820 -0.032 0.000 1.841 84 A HA -0.113 4.208 4.320 0.001 0.000 0.214 84 A C 2.469 180.013 177.584 -0.067 0.000 1.195 84 A CA 0.880 52.890 52.037 -0.044 0.000 0.611 84 A CB -0.938 18.037 19.000 -0.041 0.000 0.835 84 A HN 0.222 nan 8.150 nan 0.000 0.443 85 L N -0.661 120.508 121.223 -0.090 0.000 2.089 85 L HA -0.307 4.034 4.340 0.001 0.000 0.213 85 L C 3.086 179.893 176.870 -0.106 0.000 1.079 85 L CA 1.265 56.015 54.840 -0.149 0.000 0.758 85 L CB -0.470 41.472 42.059 -0.195 0.000 0.891 85 L HN 0.505 nan 8.230 nan 0.000 0.433 86 A N 0.020 122.805 122.820 -0.059 0.000 1.858 86 A HA -0.229 4.091 4.320 0.001 0.000 0.216 86 A C 2.278 179.843 177.584 -0.031 0.000 1.190 86 A CA 1.643 53.662 52.037 -0.031 0.000 0.617 86 A CB -0.524 18.466 19.000 -0.018 0.000 0.827 86 A HN 0.344 nan 8.150 nan 0.000 0.443 87 R N -0.568 119.911 120.500 -0.035 0.000 2.139 87 R HA -0.055 4.286 4.340 0.001 0.000 0.243 87 R C 1.113 177.392 176.300 -0.035 0.000 1.145 87 R CA 1.195 57.276 56.100 -0.033 0.000 0.976 87 R CB -0.494 29.785 30.300 -0.035 0.000 0.866 87 R HN 0.472 nan 8.270 nan 0.000 0.449 88 L N 0.129 121.323 121.223 -0.048 0.000 2.682 88 L HA 0.147 4.487 4.340 0.001 0.000 0.240 88 L C 1.166 178.014 176.870 -0.038 0.000 1.178 88 L CA 0.251 55.061 54.840 -0.049 0.000 0.970 88 L CB 0.048 42.062 42.059 -0.074 0.000 1.179 88 L HN 0.478 nan 8.230 nan 0.000 0.435 89 G N -0.756 108.030 108.800 -0.023 0.000 2.245 89 G HA2 -0.277 3.683 3.960 0.001 0.000 0.264 89 G HA3 -0.277 3.683 3.960 0.001 0.000 0.264 89 G C 0.462 175.373 174.900 0.020 0.000 0.985 89 G CA -0.061 45.038 45.100 -0.001 0.000 0.625 89 G HN 0.258 nan 8.290 nan 0.000 0.536 90 K N 0.783 121.183 120.400 0.001 0.000 2.448 90 K HA 0.224 4.544 4.320 0.001 0.000 0.278 90 K C 0.731 177.407 176.600 0.127 0.000 1.009 90 K CA -0.427 55.902 56.287 0.070 0.000 0.995 90 K CB 0.729 33.129 32.500 -0.167 0.000 0.917 90 K HN 0.508 nan 8.250 nan 0.000 0.481 91 R N 1.894 122.524 120.500 0.216 0.000 2.248 91 R HA 0.253 4.593 4.340 0.001 0.000 0.328 91 R C -0.733 175.688 176.300 0.201 0.000 1.067 91 R CA -0.215 55.973 56.100 0.146 0.000 0.924 91 R CB 0.378 30.734 30.300 0.093 0.000 1.013 91 R HN 0.386 nan 8.270 nan 0.000 0.454 92 V N 5.413 125.400 119.914 0.122 0.000 3.178 92 V HA 0.492 4.613 4.120 0.001 0.000 0.302 92 V C -1.270 174.850 176.094 0.043 0.000 1.262 92 V CA -0.808 61.563 62.300 0.119 0.000 1.030 92 V CB 2.564 34.472 31.823 0.141 0.000 1.074 92 V HN 0.863 nan 8.190 nan 0.000 0.438 93 M N 3.321 122.942 119.600 0.035 0.000 2.775 93 M HA 0.801 5.281 4.480 0.001 0.000 0.296 93 M C -1.551 174.757 176.300 0.013 0.000 1.248 93 M CA -0.975 54.317 55.300 -0.013 0.000 0.800 93 M CB 2.426 35.001 32.600 -0.043 0.000 1.765 93 M HN 0.491 nan 8.290 nan 0.000 0.472 94 V N -0.385 119.531 119.914 0.005 0.000 2.808 94 V HA 0.462 4.582 4.120 0.001 0.000 0.308 94 V C -1.325 174.814 176.094 0.074 0.000 1.099 94 V CA -0.932 61.385 62.300 0.028 0.000 0.920 94 V CB 1.626 33.454 31.823 0.008 0.000 1.014 94 V HN 0.929 nan 8.190 nan 0.000 0.425 95 C N 5.583 124.936 119.300 0.090 0.000 2.301 95 C HA 0.836 5.297 4.460 0.001 0.000 0.323 95 C C -0.096 174.940 174.990 0.078 0.000 1.265 95 C CA -0.505 58.599 59.018 0.143 0.000 1.503 95 C CB -0.128 27.718 27.740 0.176 0.000 2.195 95 C HN 0.788 nan 8.230 nan 0.000 0.477 96 L N 2.690 123.958 121.223 0.074 0.000 2.371 96 L HA 0.641 4.981 4.340 0.001 0.000 0.262 96 L C -0.090 176.787 176.870 0.011 0.000 1.006 96 L CA -0.869 53.980 54.840 0.014 0.000 0.818 96 L CB 1.442 43.489 42.059 -0.020 0.000 1.354 96 L HN 0.581 nan 8.230 nan 0.000 0.415 97 R N 0.618 121.100 120.500 -0.030 0.000 2.582 97 R HA 0.213 4.553 4.340 0.001 0.000 0.271 97 R C -0.239 176.011 176.300 -0.083 0.000 1.078 97 R CA -0.599 55.478 56.100 -0.038 0.000 1.127 97 R CB 0.725 30.986 30.300 -0.065 0.000 1.038 97 R HN 0.454 nan 8.270 nan 0.000 0.500 98 E N 4.505 124.664 120.200 -0.068 0.000 2.194 98 E HA 0.132 4.483 4.350 0.001 0.000 0.284 98 E C -1.959 174.589 176.600 -0.086 0.000 1.035 98 E CA -1.921 54.395 56.400 -0.140 0.000 0.836 98 E CB 0.907 30.573 29.700 -0.056 0.000 1.070 98 E HN 0.348 nan 8.360 nan 0.000 0.401 99 P HA -0.025 nan 4.420 nan 0.000 0.273 99 P C -0.162 177.120 177.300 -0.030 0.000 1.250 99 P CA -0.333 62.729 63.100 -0.063 0.000 0.793 99 P CB 0.814 32.471 31.700 -0.072 0.000 1.011 100 S N -0.166 115.532 115.700 -0.002 0.000 2.593 100 S HA 0.080 4.550 4.470 0.001 0.000 0.269 100 S C 1.163 175.779 174.600 0.027 0.000 1.334 100 S CA -0.594 57.618 58.200 0.019 0.000 1.015 100 S CB -0.097 63.137 63.200 0.057 0.000 0.912 100 S HN 0.390 nan 8.310 nan 0.000 0.541 101 L N 4.577 125.820 121.223 0.034 0.000 2.034 101 L HA 0.266 4.606 4.340 0.001 0.000 0.203 101 L C 2.520 179.499 176.870 0.181 0.000 1.074 101 L CA 2.379 57.270 54.840 0.085 0.000 0.748 101 L CB -1.520 40.559 42.059 0.033 0.000 0.905 101 L HN 0.945 nan 8.230 nan 0.000 0.439 102 G N 0.029 108.907 108.800 0.131 0.000 2.597 102 G HA2 -0.306 3.654 3.960 0.001 0.000 0.222 102 G HA3 -0.306 3.654 3.960 0.001 0.000 0.222 102 G C -0.616 174.394 174.900 0.185 0.000 1.135 102 G CA 1.231 46.428 45.100 0.160 0.000 0.759 102 G HN 0.372 nan 8.290 nan 0.000 0.595 103 P HA -0.068 nan 4.420 nan 0.000 0.219 103 P C 2.075 179.394 177.300 0.031 0.000 1.144 103 P CA 1.595 64.731 63.100 0.059 0.000 0.806 103 P CB -0.049 31.667 31.700 0.027 0.000 0.771 104 S N -1.705 114.023 115.700 0.047 0.000 2.371 104 S HA -0.035 4.436 4.470 0.001 0.000 0.224 104 S C 1.237 175.641 174.600 -0.325 0.000 1.029 104 S CA 1.098 59.199 58.200 -0.165 0.000 0.978 104 S CB -0.796 62.246 63.200 -0.264 0.000 0.833 104 S HN 0.157 nan 8.310 nan 0.000 0.466 105 F N 1.055 121.001 119.950 -0.008 0.000 2.776 105 F HA 0.342 4.869 4.527 0.001 0.000 0.300 105 F C 2.115 177.913 175.800 -0.003 0.000 1.116 105 F CA 0.080 58.078 58.000 -0.003 0.000 1.375 105 F CB -0.467 38.532 39.000 -0.001 0.000 1.109 105 F HN 0.244 nan 8.300 nan 0.000 0.585 106 G N 0.612 109.490 108.800 0.130 0.000 2.662 106 G HA2 0.113 4.074 3.960 0.001 0.000 0.207 106 G HA3 0.113 4.074 3.960 0.001 0.000 0.207 106 G C 1.151 176.068 174.900 0.028 0.000 1.154 106 G CA 0.545 45.690 45.100 0.076 0.000 0.837 106 G HN 0.375 nan 8.290 nan 0.000 0.580 107 I N -3.162 117.414 120.570 0.010 0.000 3.817 107 I HA 0.518 4.689 4.170 0.001 0.000 0.325 107 I C -0.612 175.485 176.117 -0.033 0.000 1.550 107 I CA -0.668 60.626 61.300 -0.010 0.000 1.100 107 I CB 0.130 38.126 38.000 -0.006 0.000 1.216 107 I HN -0.151 nan 8.210 nan 0.000 0.481 108 K N 1.178 121.543 120.400 -0.058 0.000 7.055 108 K HA -0.074 4.246 4.320 0.001 0.000 0.623 108 K C 0.181 176.729 176.600 -0.086 0.000 2.571 108 K CA 0.549 56.779 56.287 -0.095 0.000 1.982 108 K CB -0.640 31.816 32.500 -0.073 0.000 2.344 108 K HN 0.602 nan 8.250 nan 0.000 0.202 109 G N 1.352 110.082 108.800 -0.118 0.000 2.444 109 G HA2 0.570 4.530 3.960 0.001 0.000 0.268 109 G HA3 0.570 4.530 3.960 0.001 0.000 0.268 109 G C 0.361 175.220 174.900 -0.068 0.000 1.203 109 G CA 0.127 45.173 45.100 -0.091 0.000 0.835 109 G HN 0.678 nan 8.290 nan 0.000 0.543 110 G N -0.813 107.954 108.800 -0.054 0.000 2.887 110 G HA2 0.795 4.755 3.960 0.001 0.000 0.277 110 G HA3 0.795 4.755 3.960 0.001 0.000 0.277 110 G C -0.483 174.391 174.900 -0.043 0.000 1.346 110 G CA -0.029 45.047 45.100 -0.041 0.000 1.058 110 G HN 1.094 nan 8.290 nan 0.000 0.535 111 A N -1.216 121.586 122.820 -0.030 0.000 2.299 111 A HA 0.729 5.049 4.320 0.001 0.000 0.332 111 A C 0.610 178.173 177.584 -0.035 0.000 1.131 111 A CA 0.034 52.051 52.037 -0.034 0.000 0.844 111 A CB 1.092 20.078 19.000 -0.023 0.000 1.251 111 A HN 1.862 nan 8.150 nan 0.000 0.486 112 A N 0.793 123.584 122.820 -0.049 0.000 3.092 112 A HA 0.485 4.806 4.320 0.001 0.000 0.278 112 A C 1.412 178.983 177.584 -0.021 0.000 1.956 112 A CA 1.200 53.206 52.037 -0.052 0.000 1.501 112 A CB -1.715 17.245 19.000 -0.067 0.000 0.977 112 A HN 2.771 nan 8.150 nan 0.000 0.607 113 G N 0.063 108.859 108.800 -0.008 0.000 3.035 113 G HA2 0.424 4.385 3.960 0.001 0.000 0.242 113 G HA3 0.424 4.385 3.960 0.001 0.000 0.242 113 G C 0.795 175.739 174.900 0.073 0.000 1.524 113 G CA 0.174 45.291 45.100 0.028 0.000 1.038 113 G HN 2.732 nan 8.290 nan 0.000 0.561 114 G N -2.172 106.696 108.800 0.114 0.000 2.336 114 G HA2 0.651 4.611 3.960 0.001 0.000 0.300 114 G HA3 0.651 4.611 3.960 0.001 0.000 0.300 114 G C 1.033 176.032 174.900 0.166 0.000 1.375 114 G CA 1.107 46.316 45.100 0.182 0.000 0.885 114 G HN 2.816 nan 8.290 nan 0.000 0.599 115 G N -0.537 108.248 108.800 -0.025 0.000 2.583 115 G HA2 -0.221 3.740 3.960 0.001 0.000 0.292 115 G HA3 -0.221 3.740 3.960 0.001 0.000 0.292 115 G C 0.794 175.323 174.900 -0.618 0.000 1.203 115 G CA 1.305 45.921 45.100 -0.806 0.000 0.987 115 G HN 1.562 nan 8.290 nan 0.000 0.554 116 Y N 1.914 122.003 120.300 -0.351 0.000 2.461 116 Y HA 0.517 5.067 4.550 0.001 0.000 0.277 116 Y C 1.832 177.675 175.900 -0.096 0.000 1.182 116 Y CA 0.692 58.678 58.100 -0.190 0.000 1.276 116 Y CB 0.279 38.627 38.460 -0.187 0.000 1.087 116 Y HN 0.755 nan 8.280 nan 0.000 0.519 117 A N 1.869 124.709 122.820 0.034 0.000 2.690 117 A HA 0.575 4.895 4.320 0.001 0.000 0.342 117 A C -0.351 177.256 177.584 0.039 0.000 1.410 117 A CA -0.365 51.708 52.037 0.061 0.000 0.958 117 A CB -0.354 18.708 19.000 0.103 0.000 1.153 117 A HN 0.441 nan 8.150 nan 0.000 0.497 118 Q N 0.102 119.911 119.800 0.016 0.000 2.594 118 Q HA 0.567 4.907 4.340 0.001 0.000 0.278 118 Q C -1.886 174.110 176.000 -0.006 0.000 0.961 118 Q CA -0.912 54.891 55.803 -0.000 0.000 0.844 118 Q CB 1.319 30.049 28.738 -0.014 0.000 1.475 118 Q HN 0.139 nan 8.270 nan 0.000 0.389 119 V N 2.015 121.920 119.914 -0.016 0.000 2.509 119 V HA 0.594 4.714 4.120 0.001 0.000 0.284 119 V C 0.290 176.375 176.094 -0.015 0.000 1.047 119 V CA -0.192 62.101 62.300 -0.012 0.000 0.952 119 V CB 1.127 32.938 31.823 -0.021 0.000 0.988 119 V HN 0.652 nan 8.190 nan 0.000 0.469 120 V N 2.990 122.909 119.914 0.009 0.000 3.158 120 V HA 0.720 4.840 4.120 0.001 0.000 0.311 120 V C -2.725 173.413 176.094 0.074 0.000 1.181 120 V CA -2.773 59.537 62.300 0.016 0.000 1.054 120 V CB 2.059 33.875 31.823 -0.011 0.000 1.085 120 V HN 0.655 nan 8.190 nan 0.000 0.446 121 P HA 0.080 nan 4.420 nan 0.000 0.264 121 P C 0.711 178.039 177.300 0.047 0.000 1.229 121 P CA 0.302 63.423 63.100 0.034 0.000 0.780 121 P CB 0.869 32.592 31.700 0.038 0.000 0.808 122 M N 3.883 123.482 119.600 -0.001 0.000 2.115 122 M HA -0.242 4.238 4.480 0.001 0.000 0.258 122 M C 1.868 178.168 176.300 0.002 0.000 1.071 122 M CA 2.079 57.368 55.300 -0.017 0.000 1.100 122 M CB -0.458 32.122 32.600 -0.034 0.000 1.292 122 M HN 0.304 nan 8.290 nan 0.000 0.415 123 E N 0.170 120.378 120.200 0.013 0.000 2.114 123 E HA -0.262 4.088 4.350 0.001 0.000 0.199 123 E C 1.470 178.121 176.600 0.086 0.000 1.008 123 E CA 2.011 58.430 56.400 0.032 0.000 0.810 123 E CB -0.183 29.535 29.700 0.031 0.000 0.739 123 E HN 0.642 nan 8.360 nan 0.000 0.456 124 D N 0.256 120.741 120.400 0.143 0.000 2.077 124 D HA -0.130 4.511 4.640 0.001 0.000 0.196 124 D C 1.937 178.435 176.300 0.329 0.000 0.986 124 D CA 0.892 55.049 54.000 0.261 0.000 0.829 124 D CB -0.308 40.682 40.800 0.316 0.000 0.983 124 D HN 0.163 nan 8.370 nan 0.000 0.453 125 I N 0.551 121.257 120.570 0.227 0.000 2.236 125 I HA -0.304 3.866 4.170 0.001 0.000 0.249 125 I C 1.496 177.534 176.117 -0.131 0.000 1.102 125 I CA 1.196 62.321 61.300 -0.292 0.000 1.365 125 I CB -0.386 37.307 38.000 -0.511 0.000 1.051 125 I HN -0.026 nan 8.210 nan 0.000 0.420 126 N N -0.325 118.353 118.700 -0.037 0.000 2.463 126 N HA 0.121 4.862 4.740 0.001 0.000 0.181 126 N C 0.924 176.445 175.510 0.018 0.000 1.078 126 N CA 0.509 53.542 53.050 -0.029 0.000 0.902 126 N CB 0.348 38.812 38.487 -0.038 0.000 0.970 126 N HN 0.257 nan 8.380 nan 0.000 0.451 127 L N -1.629 119.636 121.223 0.070 0.000 2.679 127 L HA 0.222 4.562 4.340 0.001 0.000 0.217 127 L C 1.215 178.102 176.870 0.029 0.000 1.659 127 L CA -0.649 54.225 54.840 0.057 0.000 2.908 127 L CB -0.156 41.977 42.059 0.123 0.000 2.698 127 L HN 0.166 nan 8.230 nan 0.000 0.828 128 H N -0.381 118.823 119.070 0.223 0.000 2.547 128 H HA -0.023 4.533 4.556 0.000 0.000 0.272 128 H C 0.906 176.378 175.328 0.239 0.000 0.989 128 H CA 0.639 56.835 56.048 0.246 0.000 1.214 128 H CB 0.278 30.209 29.762 0.281 0.000 1.389 128 H HN 0.282 nan 8.280 nan 0.000 0.577 129 F N 1.141 121.176 119.950 0.142 0.000 2.923 129 F HA -0.467 4.060 4.527 0.000 0.000 0.242 129 F C 1.812 177.641 175.800 0.049 0.000 1.463 129 F CA 2.834 60.877 58.000 0.071 0.000 1.856 129 F CB -1.107 37.906 39.000 0.022 0.000 0.517 129 F HN 0.208 nan 8.300 nan 0.000 0.325 130 T N -1.307 113.004 114.554 -0.404 0.000 3.228 130 T HA 0.519 4.869 4.350 0.001 0.000 0.278 130 T C 0.990 175.580 174.700 -0.184 0.000 1.014 130 T CA 0.663 62.435 62.100 -0.548 0.000 0.904 130 T CB -0.207 67.986 68.868 -1.126 0.000 1.110 130 T HN 2.016 nan 8.240 nan 0.000 0.541 131 G N 1.447 110.297 108.800 0.084 0.000 2.153 131 G HA2 -0.278 3.682 3.960 0.001 0.000 0.252 131 G HA3 -0.278 3.682 3.960 0.001 0.000 0.252 131 G C 0.454 175.445 174.900 0.151 0.000 0.994 131 G CA 0.338 45.577 45.100 0.232 0.000 0.698 131 G HN 0.516 nan 8.290 nan 0.000 0.521 132 D N 0.350 120.806 120.400 0.094 0.000 2.077 132 D HA -0.055 4.586 4.640 0.001 0.000 0.193 132 D C 2.733 179.099 176.300 0.110 0.000 0.989 132 D CA 1.235 55.308 54.000 0.120 0.000 0.831 132 D CB -0.282 40.620 40.800 0.169 0.000 0.979 132 D HN 0.505 nan 8.370 nan 0.000 0.449 133 I N 0.862 121.455 120.570 0.038 0.000 2.194 133 I HA -0.318 3.853 4.170 0.001 0.000 0.246 133 I C 2.339 178.478 176.117 0.036 0.000 1.093 133 I CA 1.221 62.515 61.300 -0.009 0.000 1.355 133 I CB -0.488 37.449 38.000 -0.106 0.000 1.046 133 I HN 0.180 nan 8.210 nan 0.000 0.413 134 H N 0.834 120.017 119.070 0.188 0.000 2.353 134 H HA -0.173 4.383 4.556 0.000 0.000 0.298 134 H C 2.376 177.875 175.328 0.284 0.000 1.103 134 H CA 1.741 57.937 56.048 0.247 0.000 1.293 134 H CB -0.495 29.396 29.762 0.216 0.000 1.372 134 H HN 0.424 nan 8.280 nan 0.000 0.501 135 A N 0.745 123.749 122.820 0.306 0.000 1.877 135 A HA -0.119 4.201 4.320 0.001 0.000 0.216 135 A C 2.895 180.626 177.584 0.245 0.000 1.186 135 A CA 1.816 54.002 52.037 0.248 0.000 0.620 135 A CB -0.871 18.239 19.000 0.184 0.000 0.822 135 A HN 0.223 nan 8.150 nan 0.000 0.443 136 V N -0.150 119.886 119.914 0.203 0.000 2.287 136 V HA -0.274 3.846 4.120 0.001 0.000 0.248 136 V C 2.688 178.891 176.094 0.182 0.000 1.053 136 V CA 2.562 64.969 62.300 0.178 0.000 1.027 136 V CB -1.679 30.227 31.823 0.137 0.000 0.646 136 V HN 0.586 nan 8.190 nan 0.000 0.447 137 T N -0.927 113.726 114.554 0.166 0.000 2.665 137 T HA -0.240 4.111 4.350 0.001 0.000 0.268 137 T C 1.791 176.527 174.700 0.059 0.000 1.035 137 T CA 2.289 64.438 62.100 0.083 0.000 1.151 137 T CB -0.387 68.552 68.868 0.118 0.000 0.862 137 T HN 0.504 nan 8.240 nan 0.000 0.438 138 Y N 0.954 121.327 120.300 0.122 0.000 2.243 138 Y HA 0.248 4.798 4.550 0.000 0.000 0.293 138 Y C 2.678 178.632 175.900 0.090 0.000 1.124 138 Y CA 0.331 58.493 58.100 0.104 0.000 1.159 138 Y CB -0.739 37.775 38.460 0.091 0.000 1.008 138 Y HN 0.167 nan 8.280 nan 0.000 0.527 139 A N -0.678 122.270 122.820 0.213 0.000 2.032 139 A HA -0.261 4.059 4.320 0.001 0.000 0.221 139 A C 2.071 179.681 177.584 0.044 0.000 1.165 139 A CA 2.111 54.181 52.037 0.054 0.000 0.645 139 A CB -0.805 18.179 19.000 -0.028 0.000 0.807 139 A HN 0.541 nan 8.150 nan 0.000 0.453 140 H N 0.222 119.338 119.070 0.076 0.000 2.287 140 H HA -0.012 4.544 4.556 0.001 0.000 0.309 140 H C 1.737 177.186 175.328 0.202 0.000 1.059 140 H CA 1.564 57.746 56.048 0.224 0.000 1.357 140 H CB -0.203 29.607 29.762 0.081 0.000 1.409 140 H HN 0.381 nan 8.280 nan 0.000 0.515 141 N N 1.238 120.083 118.700 0.241 0.000 2.272 141 N HA -0.132 4.608 4.740 0.001 0.000 0.185 141 N C 2.146 177.718 175.510 0.104 0.000 1.014 141 N CA 0.744 53.847 53.050 0.088 0.000 0.870 141 N CB -0.402 38.007 38.487 -0.130 0.000 0.975 141 N HN 0.310 nan 8.380 nan 0.000 0.433 142 L N 0.778 122.061 121.223 0.100 0.000 2.005 142 L HA -0.031 4.309 4.340 0.001 0.000 0.207 142 L C 2.026 178.908 176.870 0.019 0.000 1.072 142 L CA 1.307 56.186 54.840 0.065 0.000 0.744 142 L CB -1.078 41.016 42.059 0.058 0.000 0.895 142 L HN 0.076 nan 8.230 nan 0.000 0.433 143 L N 0.481 121.684 121.223 -0.034 0.000 2.042 143 L HA -0.132 4.208 4.340 0.001 0.000 0.210 143 L C 2.510 179.330 176.870 -0.083 0.000 1.076 143 L CA 2.206 56.923 54.840 -0.205 0.000 0.749 143 L CB -1.313 40.408 42.059 -0.563 0.000 0.893 143 L HN 0.341 nan 8.230 nan 0.000 0.432 144 A N -0.576 122.379 122.820 0.225 0.000 1.940 144 A HA -0.114 4.206 4.320 0.001 0.000 0.219 144 A C 2.417 180.077 177.584 0.125 0.000 1.176 144 A CA 1.920 54.145 52.037 0.313 0.000 0.631 144 A CB -1.097 18.078 19.000 0.292 0.000 0.814 144 A HN 0.614 nan 8.150 nan 0.000 0.446 145 A N -1.067 121.800 122.820 0.079 0.000 1.970 145 A HA 0.085 4.406 4.320 0.001 0.000 0.216 145 A C 2.161 179.768 177.584 0.038 0.000 1.170 145 A CA 1.347 53.417 52.037 0.056 0.000 0.645 145 A CB -0.430 18.601 19.000 0.053 0.000 0.816 145 A HN 0.505 nan 8.150 nan 0.000 0.447 146 M N -0.620 118.984 119.600 0.008 0.000 2.229 146 M HA -0.108 4.372 4.480 0.001 0.000 0.264 146 M C 1.964 178.272 176.300 0.014 0.000 1.063 146 M CA 1.018 56.316 55.300 -0.004 0.000 1.114 146 M CB -0.303 32.263 32.600 -0.057 0.000 1.387 146 M HN 0.283 nan 8.290 nan 0.000 0.420 147 V N 0.171 120.082 119.914 -0.005 0.000 2.221 147 V HA -0.271 3.849 4.120 0.001 0.000 0.242 147 V C 1.824 177.962 176.094 0.073 0.000 1.041 147 V CA 1.903 64.211 62.300 0.013 0.000 0.995 147 V CB -0.725 31.106 31.823 0.013 0.000 0.635 147 V HN 0.373 nan 8.190 nan 0.000 0.448 148 D N 0.247 120.688 120.400 0.069 0.000 2.203 148 D HA -0.217 4.424 4.640 0.001 0.000 0.199 148 D C 2.073 178.413 176.300 0.066 0.000 0.997 148 D CA 1.509 55.550 54.000 0.069 0.000 0.863 148 D CB -0.378 40.460 40.800 0.064 0.000 0.928 148 D HN 0.452 nan 8.370 nan 0.000 0.458 149 N N 0.439 119.178 118.700 0.066 0.000 2.106 149 N HA -0.189 4.552 4.740 0.001 0.000 0.188 149 N C 1.834 177.381 175.510 0.062 0.000 1.029 149 N CA 1.045 54.128 53.050 0.055 0.000 0.848 149 N CB -0.439 38.077 38.487 0.049 0.000 1.007 149 N HN 0.343 nan 8.380 nan 0.000 0.423 150 H N 1.151 120.221 119.070 -0.001 0.000 2.353 150 H HA -0.078 4.478 4.556 0.000 0.000 0.298 150 H C 2.185 177.520 175.328 0.012 0.000 1.103 150 H CA 1.397 57.444 56.048 -0.001 0.000 1.293 150 H CB -0.009 29.744 29.762 -0.016 0.000 1.372 150 H HN 0.210 nan 8.280 nan 0.000 0.501 151 L N 0.340 121.631 121.223 0.113 0.000 1.976 151 L HA -0.203 4.137 4.340 0.001 0.000 0.209 151 L C 2.829 179.702 176.870 0.006 0.000 1.071 151 L CA 1.565 56.448 54.840 0.071 0.000 0.746 151 L CB -0.693 41.417 42.059 0.085 0.000 0.890 151 L HN 0.248 nan 8.230 nan 0.000 0.432 152 Q N 0.065 119.876 119.800 0.017 0.000 2.325 152 Q HA -0.234 4.107 4.340 0.001 0.000 0.211 152 Q C 1.864 177.848 176.000 -0.026 0.000 0.988 152 Q CA 1.554 57.360 55.803 0.004 0.000 0.887 152 Q CB -0.109 28.639 28.738 0.016 0.000 0.915 152 Q HN 0.394 nan 8.270 nan 0.000 0.440 153 Q N -1.952 117.805 119.800 -0.072 0.000 2.319 153 Q HA 0.276 4.617 4.340 0.001 0.000 0.202 153 Q C 0.775 176.697 176.000 -0.130 0.000 0.896 153 Q CA 0.709 56.450 55.803 -0.103 0.000 0.942 153 Q CB 0.944 29.605 28.738 -0.128 0.000 1.083 153 Q HN 0.485 nan 8.270 nan 0.000 0.510 154 G N 1.766 110.495 108.800 -0.119 0.000 2.260 154 G HA2 -0.256 3.705 3.960 0.001 0.000 0.179 154 G HA3 -0.256 3.705 3.960 0.001 0.000 0.179 154 G C 0.267 175.105 174.900 -0.103 0.000 1.002 154 G CA -0.162 44.883 45.100 -0.091 0.000 0.677 154 G HN 0.306 nan 8.290 nan 0.000 0.486 155 N N -0.402 118.170 118.700 -0.214 0.000 2.669 155 N HA -0.191 4.550 4.740 0.001 0.000 0.266 155 N C 1.328 176.864 175.510 0.043 0.000 1.024 155 N CA 1.308 54.293 53.050 -0.108 0.000 0.766 155 N CB -1.159 37.392 38.487 0.106 0.000 0.898 155 N HN 0.926 nan 8.380 nan 0.000 0.548 156 V N 1.085 120.956 119.914 -0.071 0.000 2.255 156 V HA -0.265 3.855 4.120 0.001 0.000 0.247 156 V C 2.409 178.635 176.094 0.219 0.000 1.051 156 V CA 2.173 64.531 62.300 0.098 0.000 1.018 156 V CB -0.437 31.443 31.823 0.095 0.000 0.641 156 V HN 0.587 nan 8.190 nan 0.000 0.445 157 L N -0.036 121.429 121.223 0.403 0.000 2.450 157 L HA -0.077 4.263 4.340 0.001 0.000 0.224 157 L C 1.096 178.046 176.870 0.134 0.000 1.149 157 L CA 1.036 55.972 54.840 0.160 0.000 0.816 157 L CB -0.858 41.145 42.059 -0.094 0.000 0.932 157 L HN 0.629 nan 8.230 nan 0.000 0.449 158 N N 0.295 119.120 118.700 0.207 0.000 2.708 158 N HA -0.212 4.528 4.740 0.001 0.000 0.255 158 N C -0.553 175.021 175.510 0.106 0.000 1.046 158 N CA 0.207 53.385 53.050 0.213 0.000 0.715 158 N CB -0.988 37.629 38.487 0.217 0.000 0.895 158 N HN 0.258 nan 8.380 nan 0.000 0.545 159 I N 0.573 121.160 120.570 0.028 0.000 2.312 159 I HA 0.071 4.241 4.170 0.001 0.000 0.291 159 I C 0.663 176.552 176.117 -0.379 0.000 1.031 159 I CA -0.479 60.747 61.300 -0.123 0.000 1.293 159 I CB 0.771 38.730 38.000 -0.068 0.000 1.403 159 I HN 0.294 nan 8.210 nan 0.000 0.484 160 D N 9.861 129.841 120.400 -0.700 0.000 2.398 160 D HA 0.051 4.691 4.640 0.001 0.000 0.250 160 D C -1.614 174.481 176.300 -0.342 0.000 1.287 160 D CA -1.487 51.879 54.000 -1.056 0.000 0.992 160 D CB 1.150 41.416 40.800 -0.891 0.000 1.071 160 D HN 0.250 nan 8.370 nan 0.000 0.514 161 P HA -0.217 nan 4.420 nan 0.000 0.222 161 P C 0.836 178.129 177.300 -0.012 0.000 1.155 161 P CA 1.429 64.504 63.100 -0.042 0.000 0.890 161 P CB 0.079 31.789 31.700 0.017 0.000 0.790 162 R N -1.195 119.297 120.500 -0.014 0.000 2.357 162 R HA 0.003 4.343 4.340 0.001 0.000 0.202 162 R C 1.563 177.874 176.300 0.017 0.000 1.047 162 R CA 1.465 57.574 56.100 0.015 0.000 1.034 162 R CB -0.914 29.403 30.300 0.029 0.000 0.875 162 R HN 0.374 nan 8.270 nan 0.000 0.473 163 T N -3.011 111.553 114.554 0.016 0.000 3.044 163 T HA 0.263 4.613 4.350 0.001 0.000 0.260 163 T C 0.668 175.444 174.700 0.126 0.000 1.019 163 T CA -0.401 61.743 62.100 0.073 0.000 0.921 163 T CB 0.193 69.124 68.868 0.105 0.000 1.053 163 T HN -0.021 nan 8.240 nan 0.000 0.533 164 I N 3.847 124.464 120.570 0.078 0.000 2.662 164 I HA 0.062 4.233 4.170 0.001 0.000 0.285 164 I C 1.788 177.970 176.117 0.108 0.000 1.161 164 I CA 0.231 61.585 61.300 0.091 0.000 1.415 164 I CB 1.054 39.098 38.000 0.073 0.000 1.385 164 I HN 0.406 nan 8.210 nan 0.000 0.552 165 T N 2.382 117.021 114.554 0.141 0.000 3.034 165 T HA -0.057 4.294 4.350 0.001 0.000 0.248 165 T C 0.714 175.485 174.700 0.118 0.000 1.040 165 T CA -0.236 61.940 62.100 0.128 0.000 1.107 165 T CB -0.033 68.932 68.868 0.161 0.000 0.932 165 T HN 0.619 nan 8.240 nan 0.000 0.474 166 W N 4.970 126.255 121.300 -0.024 0.000 2.883 166 W HA 0.119 4.780 4.660 0.001 0.000 0.416 166 W C -0.140 176.373 176.519 -0.011 0.000 1.231 166 W CA -0.442 56.878 57.345 -0.041 0.000 1.449 166 W CB -0.048 29.355 29.460 -0.096 0.000 1.564 166 W HN 0.250 nan 8.180 nan 0.000 0.524 167 R N 3.187 123.462 120.500 -0.376 0.000 2.668 167 R HA 0.358 4.698 4.340 0.001 0.000 0.268 167 R C 0.222 176.198 176.300 -0.540 0.000 1.232 167 R CA -0.569 55.325 56.100 -0.343 0.000 1.166 167 R CB 0.692 30.824 30.300 -0.279 0.000 1.179 167 R HN 0.365 nan 8.270 nan 0.000 0.606 168 R N -0.252 119.886 120.500 -0.603 0.000 2.674 168 R HA 0.520 4.860 4.340 0.001 0.000 0.266 168 R C -1.166 174.392 176.300 -1.237 0.000 1.016 168 R CA -0.594 54.943 56.100 -0.939 0.000 1.062 168 R CB 1.553 31.118 30.300 -1.225 0.000 1.142 168 R HN 0.356 nan 8.270 nan 0.000 0.517 169 V N 3.089 122.287 119.914 -1.193 0.000 3.159 169 V HA 0.755 4.875 4.120 0.001 0.000 0.308 169 V C -1.737 174.237 176.094 -0.200 0.000 1.190 169 V CA -0.785 61.080 62.300 -0.726 0.000 1.037 169 V CB 2.085 33.377 31.823 -0.885 0.000 1.060 169 V HN 0.747 nan 8.190 nan 0.000 0.437 170 I N 2.506 123.096 120.570 0.033 0.000 2.787 170 I HA 0.503 4.673 4.170 0.001 0.000 0.294 170 I C -0.738 175.395 176.117 0.027 0.000 1.365 170 I CA -0.113 61.248 61.300 0.102 0.000 1.029 170 I CB 2.205 40.341 38.000 0.226 0.000 1.313 170 I HN 0.721 nan 8.210 nan 0.000 0.431 171 D N 6.152 126.566 120.400 0.025 0.000 2.663 171 D HA 0.337 4.978 4.640 0.001 0.000 0.243 171 D C -0.760 175.548 176.300 0.012 0.000 1.218 171 D CA 0.599 54.606 54.000 0.011 0.000 0.846 171 D CB -0.401 40.404 40.800 0.008 0.000 1.014 171 D HN 0.403 nan 8.370 nan 0.000 0.476 172 L N -0.202 121.026 121.223 0.007 0.000 2.350 172 L HA 0.390 4.730 4.340 0.001 0.000 0.260 172 L C 0.162 177.040 176.870 0.014 0.000 1.015 172 L CA -1.052 53.786 54.840 -0.003 0.000 0.821 172 L CB 1.919 43.949 42.059 -0.049 0.000 1.370 172 L HN -0.246 nan 8.230 nan 0.000 0.416 173 N N 1.975 120.691 118.700 0.027 0.000 2.663 173 N HA 0.095 4.835 4.740 0.001 0.000 0.250 173 N C -1.303 174.213 175.510 0.011 0.000 1.129 173 N CA 0.015 53.086 53.050 0.034 0.000 0.995 173 N CB 0.398 38.915 38.487 0.051 0.000 1.324 173 N HN 0.451 nan 8.380 nan 0.000 0.512 174 D N 1.419 121.817 120.400 -0.004 0.000 2.469 174 D HA 0.226 4.867 4.640 0.001 0.000 0.251 174 D C 0.986 177.272 176.300 -0.023 0.000 1.173 174 D CA -0.517 53.466 54.000 -0.029 0.000 0.882 174 D CB 0.987 41.742 40.800 -0.074 0.000 1.129 174 D HN 0.121 nan 8.370 nan 0.000 0.549 175 R N 2.234 122.727 120.500 -0.012 0.000 2.113 175 R HA -0.166 4.174 4.340 0.001 0.000 0.231 175 R C 2.036 178.328 176.300 -0.014 0.000 1.129 175 R CA 1.899 57.997 56.100 -0.004 0.000 0.915 175 R CB -0.484 29.816 30.300 -0.001 0.000 0.837 175 R HN 0.539 nan 8.270 nan 0.000 0.430 176 A N 1.268 124.071 122.820 -0.028 0.000 2.038 176 A HA -0.227 4.093 4.320 0.001 0.000 0.224 176 A C 2.094 179.652 177.584 -0.043 0.000 1.190 176 A CA 1.740 53.756 52.037 -0.036 0.000 0.668 176 A CB -0.884 18.086 19.000 -0.051 0.000 0.820 176 A HN 0.314 nan 8.150 nan 0.000 0.474 177 L N -1.527 119.655 121.223 -0.069 0.000 2.622 177 L HA -0.076 4.264 4.340 0.001 0.000 0.233 177 L C 2.570 179.471 176.870 0.051 0.000 1.156 177 L CA 0.362 55.157 54.840 -0.075 0.000 0.866 177 L CB -0.385 41.531 42.059 -0.240 0.000 0.980 177 L HN 0.421 nan 8.230 nan 0.000 0.448 178 R N 0.321 120.842 120.500 0.035 0.000 2.081 178 R HA -0.040 4.300 4.340 0.001 0.000 0.235 178 R C 0.111 176.439 176.300 0.047 0.000 1.131 178 R CA 0.866 56.993 56.100 0.046 0.000 0.960 178 R CB -0.054 30.264 30.300 0.030 0.000 0.856 178 R HN 0.335 nan 8.270 nan 0.000 0.436 179 N N 0.503 119.225 118.700 0.037 0.000 2.549 179 N HA 0.272 5.012 4.740 0.001 0.000 0.281 179 N C -0.863 174.667 175.510 0.033 0.000 1.084 179 N CA -0.298 52.773 53.050 0.035 0.000 0.862 179 N CB 1.954 40.456 38.487 0.026 0.000 1.333 179 N HN 0.134 nan 8.380 nan 0.000 0.523 180 I N -1.998 118.600 120.570 0.047 0.000 3.074 180 I HA 0.713 4.883 4.170 0.001 0.000 0.310 180 I C -0.998 175.147 176.117 0.047 0.000 1.153 180 I CA -1.028 60.297 61.300 0.042 0.000 0.993 180 I CB 2.102 40.133 38.000 0.052 0.000 1.237 180 I HN -0.127 nan 8.210 nan 0.000 0.443 181 V N 4.232 124.169 119.914 0.039 0.000 2.581 181 V HA 0.504 4.625 4.120 0.001 0.000 0.303 181 V C 0.149 176.272 176.094 0.047 0.000 1.041 181 V CA -0.521 61.804 62.300 0.041 0.000 0.907 181 V CB 1.705 33.547 31.823 0.032 0.000 0.994 181 V HN 0.463 nan 8.190 nan 0.000 0.442 182 I N 1.814 122.416 120.570 0.052 0.000 3.205 182 I HA 0.570 4.740 4.170 0.001 0.000 0.310 182 I C 1.250 177.396 176.117 0.048 0.000 1.089 182 I CA -0.225 61.110 61.300 0.057 0.000 1.023 182 I CB 1.171 39.212 38.000 0.068 0.000 1.269 182 I HN 0.849 nan 8.210 nan 0.000 0.512 183 G N 2.804 111.633 108.800 0.049 0.000 2.357 183 G HA2 -0.205 3.756 3.960 0.001 0.000 0.282 183 G HA3 -0.205 3.756 3.960 0.001 0.000 0.282 183 G C -0.349 174.572 174.900 0.036 0.000 0.910 183 G CA 0.317 45.443 45.100 0.042 0.000 1.267 183 G HN 0.367 nan 8.290 nan 0.000 0.476 184 L N -0.835 120.407 121.223 0.032 0.000 2.304 184 L HA 0.827 5.167 4.340 0.001 0.000 0.268 184 L C 1.520 178.403 176.870 0.023 0.000 1.010 184 L CA -0.231 54.625 54.840 0.026 0.000 0.813 184 L CB 1.898 43.971 42.059 0.024 0.000 1.315 184 L HN 0.865 nan 8.230 nan 0.000 0.445 185 G N -0.119 108.693 108.800 0.019 0.000 2.255 185 G HA2 0.167 4.128 3.960 0.001 0.000 0.196 185 G HA3 0.167 4.128 3.960 0.001 0.000 0.196 185 G C 0.307 175.217 174.900 0.016 0.000 0.998 185 G CA -0.107 45.003 45.100 0.017 0.000 0.656 185 G HN 1.437 nan 8.290 nan 0.000 0.490 186 G N -0.381 108.429 108.800 0.017 0.000 2.355 186 G HA2 0.458 4.418 3.960 0.001 0.000 0.619 186 G HA3 0.458 4.418 3.960 0.001 0.000 0.619 186 G C 0.428 175.338 174.900 0.017 0.000 1.337 186 G CA 0.419 45.528 45.100 0.016 0.000 0.993 186 G HN 1.367 nan 8.290 nan 0.000 0.599 187 K N -0.881 119.528 120.400 0.015 0.000 2.520 187 K HA 0.240 4.560 4.320 0.001 0.000 0.197 187 K C 1.507 178.116 176.600 0.014 0.000 1.043 187 K CA 2.003 58.299 56.287 0.015 0.000 0.944 187 K CB 0.104 32.611 32.500 0.012 0.000 0.770 187 K HN 1.310 nan 8.250 nan 0.000 0.480 188 A N 1.062 123.891 122.820 0.014 0.000 2.545 188 A HA 0.218 4.538 4.320 0.001 0.000 0.277 188 A C 0.161 177.755 177.584 0.017 0.000 1.301 188 A CA -0.615 51.430 52.037 0.014 0.000 0.935 188 A CB 0.067 19.074 19.000 0.012 0.000 1.093 188 A HN 0.289 nan 8.150 nan 0.000 0.519 189 N N -0.074 118.637 118.700 0.020 0.000 2.167 189 N HA 0.333 5.073 4.740 0.001 0.000 0.234 189 N C 0.524 176.051 175.510 0.028 0.000 1.312 189 N CA 0.922 53.986 53.050 0.023 0.000 0.861 189 N CB 1.333 39.834 38.487 0.023 0.000 1.217 189 N HN 0.641 nan 8.380 nan 0.000 0.504 190 G N -0.247 108.570 108.800 0.028 0.000 2.483 190 G HA2 -0.130 3.830 3.960 0.001 0.000 0.521 190 G HA3 -0.130 3.830 3.960 0.001 0.000 0.521 190 G C -1.376 173.546 174.900 0.036 0.000 1.278 190 G CA -0.729 44.391 45.100 0.033 0.000 0.965 190 G HN -0.030 nan 8.290 nan 0.000 0.504 191 V N 1.958 121.898 119.914 0.044 0.000 2.394 191 V HA 0.514 4.635 4.120 0.001 0.000 0.282 191 V C -1.726 174.397 176.094 0.049 0.000 1.031 191 V CA -1.185 61.144 62.300 0.049 0.000 0.881 191 V CB 1.595 33.454 31.823 0.060 0.000 0.982 191 V HN 0.636 nan 8.190 nan 0.000 0.451 192 P HA 0.240 nan 4.420 nan 0.000 0.265 192 P C -0.395 176.934 177.300 0.048 0.000 1.187 192 P CA 0.187 63.313 63.100 0.044 0.000 0.766 192 P CB 0.364 32.088 31.700 0.040 0.000 0.820 193 R N 0.346 120.874 120.500 0.046 0.000 2.780 193 R HA 0.481 4.821 4.340 0.001 0.000 0.280 193 R C -1.466 174.861 176.300 0.044 0.000 1.016 193 R CA -1.044 55.084 56.100 0.046 0.000 0.854 193 R CB 1.114 31.443 30.300 0.048 0.000 1.293 193 R HN 0.225 nan 8.270 nan 0.000 0.483 194 E N 0.911 121.136 120.200 0.042 0.000 2.158 194 E HA 0.506 4.856 4.350 0.001 0.000 0.271 194 E C -0.876 175.748 176.600 0.039 0.000 0.911 194 E CA -0.705 55.719 56.400 0.040 0.000 0.767 194 E CB 2.404 32.126 29.700 0.035 0.000 1.120 194 E HN 0.673 nan 8.360 nan 0.000 0.405 195 T N 0.035 114.614 114.554 0.043 0.000 2.630 195 T HA 0.776 5.126 4.350 0.001 0.000 0.300 195 T C -0.078 174.654 174.700 0.053 0.000 1.261 195 T CA -0.700 61.420 62.100 0.033 0.000 1.060 195 T CB 1.566 70.446 68.868 0.021 0.000 1.670 195 T HN 0.610 nan 8.240 nan 0.000 0.473 196 G N -0.524 108.306 108.800 0.050 0.000 2.490 196 G HA2 0.579 4.539 3.960 0.001 0.000 0.308 196 G HA3 0.579 4.539 3.960 0.001 0.000 0.308 196 G C -2.419 172.569 174.900 0.147 0.000 1.286 196 G CA -0.673 44.511 45.100 0.139 0.000 0.825 196 G HN 0.471 nan 8.290 nan 0.000 0.479 197 F N 0.741 120.629 119.950 -0.103 0.000 2.532 197 F HA 0.583 5.110 4.527 0.001 0.000 0.321 197 F C -0.435 175.270 175.800 -0.158 0.000 1.089 197 F CA -0.758 57.152 58.000 -0.150 0.000 0.926 197 F CB 2.546 41.469 39.000 -0.128 0.000 1.168 197 F HN 0.152 nan 8.300 nan 0.000 0.459 198 D N 1.995 122.319 120.400 -0.126 0.000 2.269 198 D HA 0.274 4.914 4.640 0.001 0.000 0.244 198 D C -0.558 175.650 176.300 -0.153 0.000 0.992 198 D CA -0.416 53.489 54.000 -0.158 0.000 0.894 198 D CB 2.713 43.346 40.800 -0.279 0.000 1.248 198 D HN 0.301 nan 8.370 nan 0.000 0.468 199 I N 1.506 122.004 120.570 -0.120 0.000 2.668 199 I HA -0.105 4.065 4.170 0.001 0.000 0.285 199 I C 1.534 177.536 176.117 -0.191 0.000 1.168 199 I CA 0.756 62.006 61.300 -0.082 0.000 1.424 199 I CB 0.392 38.413 38.000 0.034 0.000 1.377 199 I HN 0.277 nan 8.210 nan 0.000 0.560 200 S N 4.944 120.561 115.700 -0.138 0.000 2.407 200 S HA -0.275 4.196 4.470 0.001 0.000 0.244 200 S C 1.938 176.439 174.600 -0.164 0.000 1.077 200 S CA 2.377 60.483 58.200 -0.155 0.000 1.159 200 S CB -0.732 62.425 63.200 -0.071 0.000 1.045 200 S HN 0.783 nan 8.310 nan 0.000 0.438 201 V N 0.305 120.152 119.914 -0.111 0.000 2.527 201 V HA -0.180 3.941 4.120 0.001 0.000 0.255 201 V C 1.997 177.935 176.094 -0.260 0.000 1.081 201 V CA 1.786 64.034 62.300 -0.087 0.000 1.092 201 V CB -1.461 30.399 31.823 0.062 0.000 0.673 201 V HN 0.514 nan 8.190 nan 0.000 0.470 202 A N 0.246 122.706 122.820 -0.601 0.000 2.251 202 A HA 0.264 4.585 4.320 0.001 0.000 0.209 202 A C 1.474 178.801 177.584 -0.429 0.000 1.187 202 A CA 0.734 52.225 52.037 -0.909 0.000 0.823 202 A CB -0.445 17.567 19.000 -1.646 0.000 0.846 202 A HN 0.652 nan 8.150 nan 0.000 0.486 203 S N -0.064 115.473 115.700 -0.272 0.000 2.549 203 S HA 0.060 4.530 4.470 0.001 0.000 0.283 203 S C 1.021 175.632 174.600 0.018 0.000 1.320 203 S CA 0.231 58.357 58.200 -0.123 0.000 1.058 203 S CB 0.800 63.989 63.200 -0.018 0.000 0.882 203 S HN 0.562 nan 8.310 nan 0.000 0.498 204 E N 3.414 123.650 120.200 0.060 0.000 2.171 204 E HA -0.137 4.213 4.350 0.001 0.000 0.197 204 E C 1.541 178.276 176.600 0.226 0.000 0.997 204 E CA 1.506 57.992 56.400 0.143 0.000 0.810 204 E CB -0.139 29.685 29.700 0.206 0.000 0.738 204 E HN 0.661 nan 8.360 nan 0.000 0.467 205 V N 0.806 120.896 119.914 0.294 0.000 2.332 205 V HA -0.309 3.811 4.120 0.001 0.000 0.248 205 V C 2.392 178.644 176.094 0.263 0.000 1.055 205 V CA 1.987 64.486 62.300 0.333 0.000 1.038 205 V CB -0.514 31.477 31.823 0.279 0.000 0.651 205 V HN 0.448 nan 8.190 nan 0.000 0.450 206 M N 0.955 120.657 119.600 0.171 0.000 2.086 206 M HA -0.066 4.414 4.480 0.001 0.000 0.261 206 M C 2.108 178.476 176.300 0.114 0.000 1.067 206 M CA 2.184 57.552 55.300 0.113 0.000 1.116 206 M CB -0.954 31.675 32.600 0.049 0.000 1.348 206 M HN 0.238 nan 8.290 nan 0.000 0.407 207 A N -0.528 122.368 122.820 0.127 0.000 1.903 207 A HA -0.247 4.073 4.320 0.001 0.000 0.219 207 A C 2.403 180.093 177.584 0.177 0.000 1.191 207 A CA 2.211 54.354 52.037 0.176 0.000 0.638 207 A CB -1.707 17.390 19.000 0.162 0.000 0.823 207 A HN 0.718 nan 8.150 nan 0.000 0.451 208 C N -1.584 117.812 119.300 0.160 0.000 2.432 208 C HA -0.071 4.390 4.460 0.001 0.000 0.277 208 C C 2.536 177.554 174.990 0.046 0.000 1.249 208 C CA 1.097 60.176 59.018 0.100 0.000 1.725 208 C CB -1.492 26.325 27.740 0.128 0.000 2.028 208 C HN 0.701 nan 8.230 nan 0.000 0.477 209 L N 0.759 122.029 121.223 0.079 0.000 2.081 209 L HA -0.163 4.178 4.340 0.001 0.000 0.212 209 L C 2.156 178.989 176.870 -0.060 0.000 1.080 209 L CA 1.991 56.837 54.840 0.009 0.000 0.754 209 L CB -0.726 41.355 42.059 0.037 0.000 0.893 209 L HN 0.425 nan 8.230 nan 0.000 0.433 210 C N -1.019 118.288 119.300 0.012 0.000 2.522 210 C HA 0.137 4.598 4.460 0.001 0.000 0.271 210 C C 2.164 177.225 174.990 0.118 0.000 1.425 210 C CA 0.251 59.299 59.018 0.050 0.000 1.751 210 C CB -1.118 26.700 27.740 0.129 0.000 1.775 210 C HN 0.556 nan 8.230 nan 0.000 0.557 211 L N -0.725 120.528 121.223 0.051 0.000 2.993 211 L HA 0.308 4.649 4.340 0.001 0.000 0.264 211 L C 1.302 178.174 176.870 0.004 0.000 1.154 211 L CA -0.036 54.819 54.840 0.024 0.000 0.972 211 L CB -0.312 41.761 42.059 0.024 0.000 1.373 211 L HN 0.086 nan 8.230 nan 0.000 0.564 212 A N -0.071 122.718 122.820 -0.052 0.000 2.425 212 A HA 0.311 4.631 4.320 0.001 0.000 0.242 212 A C 1.222 178.744 177.584 -0.104 0.000 1.077 212 A CA 0.216 52.191 52.037 -0.102 0.000 0.781 212 A CB 0.525 19.442 19.000 -0.139 0.000 1.020 212 A HN 0.178 nan 8.150 nan 0.000 0.494 213 S N 0.075 115.706 115.700 -0.115 0.000 2.439 213 S HA 0.124 4.594 4.470 0.001 0.000 0.224 213 S C 0.297 174.840 174.600 -0.095 0.000 1.029 213 S CA 1.061 59.192 58.200 -0.116 0.000 0.946 213 S CB -0.317 62.824 63.200 -0.098 0.000 0.797 213 S HN 0.981 nan 8.310 nan 0.000 0.504 214 D N -1.589 118.765 120.400 -0.076 0.000 3.805 214 D HA 0.206 4.846 4.640 0.001 0.000 0.358 214 D C 0.483 176.751 176.300 -0.053 0.000 1.539 214 D CA -0.734 53.240 54.000 -0.043 0.000 0.948 214 D CB -0.296 40.494 40.800 -0.016 0.000 1.486 214 D HN -0.065 nan 8.370 nan 0.000 0.594 215 L N -0.714 120.492 121.223 -0.027 0.000 2.034 215 L HA 0.005 4.346 4.340 0.001 0.000 0.203 215 L C 2.199 179.031 176.870 -0.063 0.000 1.074 215 L CA 0.839 55.660 54.840 -0.031 0.000 0.748 215 L CB -0.352 41.714 42.059 0.012 0.000 0.905 215 L HN 0.409 nan 8.230 nan 0.000 0.439 216 M N -0.522 119.053 119.600 -0.043 0.000 2.260 216 M HA -0.243 4.237 4.480 0.001 0.000 0.261 216 M C 1.730 177.976 176.300 -0.089 0.000 1.066 216 M CA 1.516 56.786 55.300 -0.050 0.000 1.082 216 M CB -1.362 31.219 32.600 -0.031 0.000 1.388 216 M HN 0.298 nan 8.290 nan 0.000 0.419 217 D N 0.304 120.640 120.400 -0.107 0.000 2.087 217 D HA -0.134 4.506 4.640 0.001 0.000 0.201 217 D C 1.942 178.107 176.300 -0.224 0.000 0.980 217 D CA 0.855 54.770 54.000 -0.141 0.000 0.849 217 D CB -0.249 40.473 40.800 -0.130 0.000 1.001 217 D HN 0.174 nan 8.370 nan 0.000 0.452 218 L N 0.619 121.681 121.223 -0.269 0.000 2.151 218 L HA -0.221 4.120 4.340 0.001 0.000 0.215 218 L C 2.147 178.525 176.870 -0.820 0.000 1.084 218 L CA 1.895 56.433 54.840 -0.503 0.000 0.764 218 L CB -0.455 41.354 42.059 -0.416 0.000 0.891 218 L HN 0.064 nan 8.230 nan 0.000 0.435 219 K N -0.700 119.445 120.400 -0.425 0.000 2.007 219 K HA -0.215 4.105 4.320 0.001 0.000 0.206 219 K C 2.162 178.663 176.600 -0.164 0.000 1.047 219 K CA 1.503 57.649 56.287 -0.235 0.000 0.937 219 K CB -0.249 32.224 32.500 -0.045 0.000 0.718 219 K HN 0.453 nan 8.250 nan 0.000 0.438 220 E N 0.673 120.786 120.200 -0.145 0.000 2.097 220 E HA -0.261 4.089 4.350 0.001 0.000 0.196 220 E C 1.956 178.495 176.600 -0.102 0.000 1.000 220 E CA 1.392 57.734 56.400 -0.096 0.000 0.804 220 E CB 0.095 29.738 29.700 -0.096 0.000 0.740 220 E HN 0.268 nan 8.360 nan 0.000 0.454 221 R N -0.333 120.054 120.500 -0.188 0.000 2.094 221 R HA -0.180 4.160 4.340 0.001 0.000 0.239 221 R C 2.457 178.747 176.300 -0.016 0.000 1.137 221 R CA 1.964 57.976 56.100 -0.147 0.000 0.943 221 R CB -0.768 29.387 30.300 -0.241 0.000 0.850 221 R HN 0.297 nan 8.270 nan 0.000 0.433 222 F N 1.357 121.266 119.950 -0.068 0.000 2.087 222 F HA -0.278 4.249 4.527 0.000 0.000 0.299 222 F C 2.745 178.458 175.800 -0.145 0.000 1.100 222 F CA 1.106 59.038 58.000 -0.114 0.000 1.226 222 F CB -0.457 38.481 39.000 -0.104 0.000 0.983 222 F HN 0.189 nan 8.300 nan 0.000 0.479 223 S N 0.419 116.171 115.700 0.087 0.000 2.653 223 S HA -0.031 4.439 4.470 0.001 0.000 0.233 223 S C 1.373 175.956 174.600 -0.028 0.000 0.970 223 S CA 0.186 58.383 58.200 -0.005 0.000 0.947 223 S CB -0.336 62.859 63.200 -0.009 0.000 0.771 223 S HN 0.373 nan 8.310 nan 0.000 0.538 224 R N 0.069 120.563 120.500 -0.010 0.000 2.344 224 R HA 0.400 4.740 4.340 0.001 0.000 0.209 224 R C 0.770 177.061 176.300 -0.015 0.000 0.886 224 R CA -0.242 55.859 56.100 0.001 0.000 1.040 224 R CB -0.182 30.131 30.300 0.022 0.000 1.114 224 R HN 0.478 nan 8.270 nan 0.000 0.547 225 I N 3.195 123.737 120.570 -0.048 0.000 2.752 225 I HA -0.062 4.108 4.170 0.001 0.000 0.289 225 I C -0.216 175.816 176.117 -0.142 0.000 1.197 225 I CA 0.045 61.291 61.300 -0.090 0.000 1.432 225 I CB 0.669 38.538 38.000 -0.218 0.000 1.359 225 I HN -0.246 nan 8.210 nan 0.000 0.571 226 V N 7.763 127.617 119.914 -0.100 0.000 2.498 226 V HA 0.120 4.241 4.120 0.001 0.000 0.279 226 V C 0.892 176.930 176.094 -0.094 0.000 1.048 226 V CA -0.180 62.033 62.300 -0.145 0.000 0.967 226 V CB 1.042 32.773 31.823 -0.154 0.000 0.988 226 V HN 0.761 nan 8.190 nan 0.000 0.473 227 V N 0.865 120.686 119.914 -0.156 0.000 3.379 227 V HA 0.818 4.938 4.120 0.001 0.000 0.249 227 V C 0.762 176.843 176.094 -0.022 0.000 1.184 227 V CA 0.960 63.228 62.300 -0.053 0.000 1.106 227 V CB 0.007 31.729 31.823 -0.169 0.000 0.826 227 V HN 1.240 nan 8.190 nan 0.000 0.465 228 G N -1.118 107.583 108.800 -0.165 0.000 2.325 228 G HA2 0.487 4.447 3.960 0.001 0.000 0.295 228 G HA3 0.487 4.447 3.960 0.001 0.000 0.295 228 G C -2.158 172.529 174.900 -0.355 0.000 1.274 228 G CA -0.530 44.519 45.100 -0.085 0.000 0.857 228 G HN 0.121 nan 8.290 nan 0.000 0.499 229 Y N -0.320 119.953 120.300 -0.045 0.000 2.602 229 Y HA 0.697 5.247 4.550 0.000 0.000 0.342 229 Y C 1.091 176.935 175.900 -0.093 0.000 1.029 229 Y CA -0.224 57.849 58.100 -0.046 0.000 1.080 229 Y CB 1.758 40.204 38.460 -0.023 0.000 1.284 229 Y HN 0.793 nan 8.280 nan 0.000 0.485 230 T N -3.061 111.549 114.554 0.092 0.000 2.788 230 T HA 0.115 4.465 4.350 0.001 0.000 0.287 230 T C 0.396 175.117 174.700 0.035 0.000 1.007 230 T CA -0.282 61.836 62.100 0.031 0.000 1.005 230 T CB 0.293 69.213 68.868 0.087 0.000 1.012 230 T HN 0.565 nan 8.240 nan 0.000 0.530 231 Y N -0.497 119.849 120.300 0.077 0.000 2.716 231 Y HA -0.009 4.541 4.550 0.000 0.000 0.302 231 Y C 2.105 178.036 175.900 0.052 0.000 1.160 231 Y CA 0.523 58.659 58.100 0.060 0.000 1.362 231 Y CB -0.142 38.346 38.460 0.047 0.000 0.988 231 Y HN 0.653 nan 8.280 nan 0.000 0.546 232 D N -2.057 118.453 120.400 0.183 0.000 2.388 232 D HA 0.144 4.784 4.640 0.001 0.000 0.208 232 D C 1.945 178.305 176.300 0.101 0.000 1.035 232 D CA 1.202 55.278 54.000 0.127 0.000 0.875 232 D CB 0.696 41.562 40.800 0.112 0.000 0.984 232 D HN 0.331 nan 8.370 nan 0.000 0.508 233 G N 1.144 110.017 108.800 0.121 0.000 2.391 233 G HA2 -0.228 3.732 3.960 0.001 0.000 0.204 233 G HA3 -0.228 3.732 3.960 0.001 0.000 0.204 233 G C 0.500 175.551 174.900 0.251 0.000 1.012 233 G CA 0.128 45.300 45.100 0.119 0.000 0.651 233 G HN 0.358 nan 8.290 nan 0.000 0.494 234 K N 2.024 122.540 120.400 0.192 0.000 2.440 234 K HA 0.342 4.663 4.320 0.001 0.000 0.270 234 K C -2.423 174.288 176.600 0.185 0.000 0.980 234 K CA -0.641 55.754 56.287 0.179 0.000 0.953 234 K CB 0.574 33.131 32.500 0.096 0.000 0.925 234 K HN 0.150 nan 8.250 nan 0.000 0.497 235 P HA 0.133 nan 4.420 nan 0.000 0.281 235 P C -1.394 175.785 177.300 -0.202 0.000 1.249 235 P CA -0.570 62.382 63.100 -0.246 0.000 0.810 235 P CB 1.206 32.839 31.700 -0.112 0.000 1.008 236 V N 1.729 121.455 119.914 -0.314 0.000 2.483 236 V HA 0.493 4.614 4.120 0.001 0.000 0.297 236 V C 0.411 176.363 176.094 -0.237 0.000 1.027 236 V CA -0.468 61.700 62.300 -0.219 0.000 0.855 236 V CB 1.564 33.264 31.823 -0.205 0.000 0.995 236 V HN 0.672 nan 8.190 nan 0.000 0.424 237 T N 1.577 116.019 114.554 -0.187 0.000 2.937 237 T HA 0.694 5.045 4.350 0.001 0.000 0.283 237 T C 1.229 175.797 174.700 -0.220 0.000 1.012 237 T CA 0.054 62.042 62.100 -0.187 0.000 0.997 237 T CB 2.016 70.812 68.868 -0.120 0.000 1.136 237 T HN 0.739 nan 8.240 nan 0.000 0.551 238 A N 0.192 122.857 122.820 -0.259 0.000 2.067 238 A HA 0.232 4.552 4.320 0.001 0.000 0.219 238 A C 2.327 179.796 177.584 -0.190 0.000 1.158 238 A CA 1.574 53.434 52.037 -0.295 0.000 0.661 238 A CB -1.597 17.165 19.000 -0.397 0.000 0.801 238 A HN 1.098 nan 8.150 nan 0.000 0.452 239 G N 0.196 108.913 108.800 -0.138 0.000 2.418 239 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 239 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 239 G C 1.078 175.922 174.900 -0.095 0.000 1.158 239 G CA 1.127 46.172 45.100 -0.091 0.000 0.771 239 G HN 0.515 nan 8.290 nan 0.000 0.545 240 D N 0.361 120.691 120.400 -0.117 0.000 2.264 240 D HA -0.026 4.615 4.640 0.001 0.000 0.208 240 D C 2.111 178.329 176.300 -0.137 0.000 0.966 240 D CA 0.449 54.380 54.000 -0.116 0.000 0.864 240 D CB 0.067 40.786 40.800 -0.135 0.000 0.933 240 D HN 0.305 nan 8.370 nan 0.000 0.499 241 L N 0.891 122.014 121.223 -0.167 0.000 2.629 241 L HA 0.040 4.380 4.340 0.001 0.000 0.230 241 L C -0.025 176.787 176.870 -0.095 0.000 1.151 241 L CA -0.014 54.732 54.840 -0.156 0.000 0.924 241 L CB -0.097 41.841 42.059 -0.202 0.000 1.137 241 L HN -0.158 nan 8.230 nan 0.000 0.457 242 E N 0.161 120.312 120.200 -0.082 0.000 2.197 242 E HA -0.280 4.071 4.350 0.001 0.000 0.184 242 E C 0.752 177.316 176.600 -0.059 0.000 1.439 242 E CA 0.655 57.022 56.400 -0.054 0.000 0.688 242 E CB -0.865 28.817 29.700 -0.029 0.000 1.090 242 E HN 0.564 nan 8.360 nan 0.000 0.341 243 A N 0.861 123.628 122.820 -0.087 0.000 2.419 243 A HA -0.042 4.278 4.320 0.001 0.000 0.233 243 A C 2.088 179.626 177.584 -0.076 0.000 1.217 243 A CA 0.344 52.322 52.037 -0.099 0.000 0.944 243 A CB 0.277 19.175 19.000 -0.170 0.000 1.025 243 A HN 0.318 nan 8.150 nan 0.000 0.524 244 Q N 0.299 120.083 119.800 -0.027 0.000 2.152 244 Q HA -0.158 4.182 4.340 0.001 0.000 0.206 244 Q C 1.753 177.810 176.000 0.095 0.000 0.985 244 Q CA 2.154 58.002 55.803 0.075 0.000 0.863 244 Q CB -1.292 27.506 28.738 0.100 0.000 0.904 244 Q HN 0.402 nan 8.270 nan 0.000 0.422 245 G N 1.136 109.962 108.800 0.043 0.000 2.433 245 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 245 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 245 G C 1.590 176.514 174.900 0.041 0.000 1.186 245 G CA 1.295 46.422 45.100 0.045 0.000 0.779 245 G HN 0.456 nan 8.290 nan 0.000 0.543 246 S N 0.606 116.313 115.700 0.012 0.000 2.365 246 S HA -0.192 4.278 4.470 0.001 0.000 0.221 246 S C 2.435 177.035 174.600 0.001 0.000 1.037 246 S CA 1.837 60.039 58.200 0.004 0.000 1.060 246 S CB -0.415 62.776 63.200 -0.015 0.000 0.974 246 S HN 0.368 nan 8.310 nan 0.000 0.427 247 M N 1.351 120.916 119.600 -0.058 0.000 2.110 247 M HA -0.246 4.234 4.480 0.001 0.000 0.257 247 M C 2.519 178.832 176.300 0.021 0.000 1.071 247 M CA 1.800 57.012 55.300 -0.148 0.000 1.096 247 M CB -0.842 31.461 32.600 -0.495 0.000 1.300 247 M HN 0.421 nan 8.290 nan 0.000 0.411 248 A N 0.399 123.322 122.820 0.173 0.000 1.896 248 A HA -0.260 4.060 4.320 0.001 0.000 0.220 248 A C 2.122 179.799 177.584 0.155 0.000 1.206 248 A CA 2.257 54.455 52.037 0.268 0.000 0.647 248 A CB -1.214 17.904 19.000 0.196 0.000 0.828 248 A HN 0.519 nan 8.150 nan 0.000 0.455 249 L N -0.709 120.571 121.223 0.094 0.000 2.127 249 L HA -0.135 4.206 4.340 0.001 0.000 0.211 249 L C 2.010 178.925 176.870 0.075 0.000 1.089 249 L CA 1.582 56.464 54.840 0.071 0.000 0.757 249 L CB -0.405 41.682 42.059 0.047 0.000 0.899 249 L HN 0.322 nan 8.230 nan 0.000 0.434 250 L N -1.115 120.155 121.223 0.078 0.000 2.156 250 L HA -0.070 4.270 4.340 0.001 0.000 0.208 250 L C 2.038 178.976 176.870 0.115 0.000 1.095 250 L CA 1.092 55.982 54.840 0.084 0.000 0.770 250 L CB -1.022 41.089 42.059 0.086 0.000 0.914 250 L HN 0.391 nan 8.230 nan 0.000 0.439 251 M N -0.729 118.960 119.600 0.149 0.000 2.495 251 M HA -0.003 4.477 4.480 0.001 0.000 0.237 251 M C 1.847 178.235 176.300 0.146 0.000 1.131 251 M CA 0.271 55.679 55.300 0.179 0.000 1.032 251 M CB -0.546 32.218 32.600 0.273 0.000 1.513 251 M HN 0.206 nan 8.290 nan 0.000 0.488 252 K N 1.066 121.537 120.400 0.118 0.000 2.127 252 K HA -0.227 4.093 4.320 0.001 0.000 0.208 252 K C 0.512 177.165 176.600 0.089 0.000 1.047 252 K CA 1.884 58.227 56.287 0.092 0.000 0.927 252 K CB 0.177 32.721 32.500 0.073 0.000 0.716 252 K HN 0.163 nan 8.250 nan 0.000 0.450 253 D N -0.933 119.524 120.400 0.096 0.000 2.367 253 D HA 0.115 4.756 4.640 0.001 0.000 0.207 253 D C 1.095 177.452 176.300 0.096 0.000 1.034 253 D CA 0.579 54.637 54.000 0.096 0.000 0.861 253 D CB 0.570 41.436 40.800 0.110 0.000 0.943 253 D HN 0.325 nan 8.370 nan 0.000 0.515 254 A N 0.180 123.074 122.820 0.123 0.000 2.218 254 A HA 0.063 4.383 4.320 0.001 0.000 0.209 254 A C 1.879 179.601 177.584 0.230 0.000 1.168 254 A CA 0.059 52.191 52.037 0.158 0.000 0.804 254 A CB -0.231 18.877 19.000 0.179 0.000 0.834 254 A HN 0.183 nan 8.150 nan 0.000 0.482 255 I N -0.244 120.427 120.570 0.168 0.000 2.546 255 I HA -0.028 4.142 4.170 0.001 0.000 0.255 255 I C 0.537 176.763 176.117 0.182 0.000 1.163 255 I CA 0.766 62.170 61.300 0.174 0.000 1.457 255 I CB -0.148 37.911 38.000 0.098 0.000 1.092 255 I HN 0.091 nan 8.210 nan 0.000 0.434 256 K N 3.365 123.794 120.400 0.047 0.000 2.249 256 K HA 0.239 4.559 4.320 0.001 0.000 0.280 256 K C -2.226 174.125 176.600 -0.415 0.000 1.033 256 K CA -1.751 54.488 56.287 -0.079 0.000 0.946 256 K CB 0.070 32.548 32.500 -0.037 0.000 1.005 256 K HN 0.080 nan 8.250 nan 0.000 0.469 257 P HA 0.003 nan 4.420 nan 0.000 0.274 257 P C -1.051 176.039 177.300 -0.350 0.000 1.260 257 P CA -0.350 62.260 63.100 -0.816 0.000 0.793 257 P CB 0.606 31.839 31.700 -0.778 0.000 1.048 258 N N 0.203 118.863 118.700 -0.066 0.000 2.314 258 N HA 0.340 5.081 4.740 0.001 0.000 0.294 258 N C -0.885 174.868 175.510 0.406 0.000 1.029 258 N CA -0.484 52.643 53.050 0.128 0.000 0.845 258 N CB 1.538 40.084 38.487 0.099 0.000 1.321 258 N HN 0.288 nan 8.380 nan 0.000 0.481 259 L N 3.068 124.466 121.223 0.291 0.000 2.275 259 L HA 0.631 4.971 4.340 0.001 0.000 0.288 259 L C -0.557 176.390 176.870 0.128 0.000 1.046 259 L CA -0.532 54.405 54.840 0.162 0.000 0.805 259 L CB 0.989 43.092 42.059 0.073 0.000 1.193 259 L HN 0.410 nan 8.230 nan 0.000 0.426 260 V N 2.765 122.734 119.914 0.092 0.000 3.147 260 V HA 0.621 4.741 4.120 0.001 0.000 0.299 260 V C -0.973 175.153 176.094 0.053 0.000 1.302 260 V CA -0.833 61.541 62.300 0.124 0.000 1.015 260 V CB 1.522 33.482 31.823 0.227 0.000 1.086 260 V HN 0.963 nan 8.190 nan 0.000 0.437 261 Q N 1.206 121.045 119.800 0.066 0.000 2.427 261 Q HA 0.635 4.975 4.340 0.001 0.000 0.232 261 Q C -0.261 175.756 176.000 0.028 0.000 1.018 261 Q CA -0.383 55.438 55.803 0.031 0.000 0.965 261 Q CB 1.411 30.170 28.738 0.035 0.000 1.232 261 Q HN 0.811 nan 8.270 nan 0.000 0.510 262 T N 0.567 115.130 114.554 0.015 0.000 2.810 262 T HA 0.300 4.651 4.350 0.001 0.000 0.277 262 T C 1.574 176.285 174.700 0.018 0.000 0.973 262 T CA -0.645 61.462 62.100 0.012 0.000 0.949 262 T CB 0.242 69.114 68.868 0.007 0.000 1.075 262 T HN 0.497 nan 8.240 nan 0.000 0.537 263 L N 0.259 121.494 121.223 0.019 0.000 2.141 263 L HA -0.039 4.301 4.340 0.001 0.000 0.209 263 L C 2.151 179.036 176.870 0.026 0.000 1.094 263 L CA 1.560 56.416 54.840 0.025 0.000 0.763 263 L CB -0.510 41.577 42.059 0.046 0.000 0.908 263 L HN 0.730 nan 8.230 nan 0.000 0.437 264 E N -0.215 119.997 120.200 0.020 0.000 2.476 264 E HA -0.026 4.325 4.350 0.001 0.000 0.191 264 E C 0.212 176.817 176.600 0.009 0.000 1.064 264 E CA -0.161 56.245 56.400 0.009 0.000 0.866 264 E CB 0.198 29.898 29.700 -0.000 0.000 0.952 264 E HN 0.403 nan 8.360 nan 0.000 0.492 265 N N -0.092 118.618 118.700 0.017 0.000 2.941 265 N HA -0.127 4.613 4.740 0.001 0.000 0.201 265 N C -0.343 175.171 175.510 0.006 0.000 0.944 265 N CA 1.124 54.186 53.050 0.019 0.000 1.027 265 N CB -1.262 37.236 38.487 0.018 0.000 0.992 265 N HN 0.130 nan 8.380 nan 0.000 0.585 266 T N 3.627 118.180 114.554 -0.002 0.000 2.933 266 T HA 0.174 4.524 4.350 0.001 0.000 0.306 266 T C -2.337 172.347 174.700 -0.027 0.000 1.045 266 T CA -0.090 62.002 62.100 -0.013 0.000 1.143 266 T CB 0.966 69.827 68.868 -0.012 0.000 1.003 266 T HN 0.084 nan 8.240 nan 0.000 0.540 267 P HA 0.503 nan 4.420 nan 0.000 0.275 267 P C -1.163 176.052 177.300 -0.141 0.000 1.228 267 P CA -0.383 62.653 63.100 -0.107 0.000 0.786 267 P CB 0.684 32.299 31.700 -0.142 0.000 0.927 268 A N 1.799 124.506 122.820 -0.188 0.000 2.589 268 A HA 0.668 4.989 4.320 0.001 0.000 0.296 268 A C -1.732 175.760 177.584 -0.154 0.000 1.062 268 A CA -0.366 51.582 52.037 -0.149 0.000 0.686 268 A CB 0.754 19.734 19.000 -0.034 0.000 1.282 268 A HN 0.257 nan 8.150 nan 0.000 0.404 269 F N 1.097 121.084 119.950 0.062 0.000 2.427 269 F HA 0.589 5.116 4.527 0.001 0.000 0.346 269 F C 0.216 176.067 175.800 0.085 0.000 1.120 269 F CA -0.860 57.188 58.000 0.080 0.000 1.033 269 F CB 1.639 40.689 39.000 0.084 0.000 1.126 269 F HN 0.343 nan 8.300 nan 0.000 0.462 270 I N 4.517 125.294 120.570 0.344 0.000 2.405 270 I HA 0.303 4.473 4.170 0.001 0.000 0.280 270 I C -0.460 175.834 176.117 0.296 0.000 1.027 270 I CA -0.173 61.249 61.300 0.203 0.000 1.161 270 I CB 0.839 38.840 38.000 0.002 0.000 1.300 270 I HN 0.665 nan 8.210 nan 0.000 0.463 271 H N 3.605 122.747 119.070 0.121 0.000 2.949 271 H HA 0.567 5.123 4.556 0.001 0.000 0.356 271 H C 0.637 175.996 175.328 0.051 0.000 1.212 271 H CA 0.009 56.113 56.048 0.092 0.000 1.136 271 H CB 2.278 32.062 29.762 0.037 0.000 1.869 271 H HN 0.664 nan 8.280 nan 0.000 0.556 272 G N 0.058 108.896 108.800 0.063 0.000 2.566 272 G HA2 0.054 4.015 3.960 0.001 0.000 0.308 272 G HA3 0.054 4.015 3.960 0.001 0.000 0.308 272 G C 0.390 175.289 174.900 -0.001 0.000 1.317 272 G CA 0.001 45.071 45.100 -0.051 0.000 0.930 272 G HN 1.685 nan 8.290 nan 0.000 0.547 273 G N -1.698 107.074 108.800 -0.046 0.000 2.328 273 G HA2 0.467 4.428 3.960 0.001 0.000 0.244 273 G HA3 0.467 4.428 3.960 0.001 0.000 0.244 273 G C -2.042 172.833 174.900 -0.043 0.000 1.317 273 G CA 0.578 45.644 45.100 -0.056 0.000 1.261 273 G HN 1.017 nan 8.290 nan 0.000 0.648 274 P HA 0.765 nan 4.420 nan 0.000 0.288 274 P C -0.169 177.170 177.300 0.064 0.000 1.297 274 P CA -0.976 62.117 63.100 -0.011 0.000 0.864 274 P CB 1.372 33.043 31.700 -0.049 0.000 1.237 275 F N -0.140 119.733 119.950 -0.129 0.000 2.539 275 F HA 0.244 4.771 4.527 0.001 0.000 0.340 275 F C 1.606 177.287 175.800 -0.199 0.000 1.185 275 F CA -0.027 57.880 58.000 -0.155 0.000 1.333 275 F CB -0.371 38.594 39.000 -0.059 0.000 1.152 275 F HN 0.386 nan 8.300 nan 0.000 0.602 276 A N 1.617 124.298 122.820 -0.232 0.000 2.637 276 A HA 0.243 4.563 4.320 0.001 0.000 0.293 276 A C 0.577 178.256 177.584 0.159 0.000 1.216 276 A CA 0.151 52.057 52.037 -0.218 0.000 0.956 276 A CB -0.780 17.835 19.000 -0.642 0.000 1.174 276 A HN 0.873 nan 8.150 nan 0.000 0.525 277 N N -1.871 116.986 118.700 0.261 0.000 2.372 277 N HA 0.110 4.850 4.740 0.001 0.000 0.242 277 N C 0.691 176.342 175.510 0.235 0.000 1.124 277 N CA -0.091 53.142 53.050 0.304 0.000 0.824 277 N CB 0.170 38.852 38.487 0.325 0.000 1.468 277 N HN 0.132 nan 8.380 nan 0.000 0.470 278 I N 1.157 121.886 120.570 0.265 0.000 3.860 278 I HA 0.377 4.548 4.170 0.001 0.000 0.319 278 I C 0.259 176.484 176.117 0.180 0.000 1.279 278 I CA -0.137 61.291 61.300 0.214 0.000 1.220 278 I CB 0.268 38.407 38.000 0.231 0.000 1.027 278 I HN 0.376 nan 8.210 nan 0.000 0.428 279 A N -1.291 121.650 122.820 0.202 0.000 2.581 279 A HA 0.400 4.720 4.320 0.001 0.000 0.290 279 A C 0.410 178.125 177.584 0.217 0.000 1.119 279 A CA -0.293 51.875 52.037 0.217 0.000 0.670 279 A CB 0.122 19.239 19.000 0.196 0.000 1.280 279 A HN 0.305 nan 8.150 nan 0.000 0.425 280 H N 0.069 119.164 119.070 0.040 0.000 2.567 280 H HA 0.152 4.709 4.556 0.001 0.000 0.276 280 H C 1.159 176.492 175.328 0.007 0.000 1.016 280 H CA 0.810 56.874 56.048 0.026 0.000 1.186 280 H CB -1.045 28.709 29.762 -0.013 0.000 1.351 280 H HN 1.941 nan 8.280 nan 0.000 0.605 281 G N 0.678 109.330 108.800 -0.246 0.000 2.390 281 G HA2 -0.297 3.663 3.960 0.001 0.000 0.299 281 G HA3 -0.297 3.663 3.960 0.001 0.000 0.299 281 G C -0.214 174.515 174.900 -0.284 0.000 1.002 281 G CA 0.568 45.498 45.100 -0.284 0.000 0.979 281 G HN 0.657 nan 8.290 nan 0.000 0.513 282 C N -0.469 118.562 119.300 -0.448 0.000 2.779 282 C HA 0.751 5.212 4.460 0.001 0.000 0.314 282 C C 0.540 175.422 174.990 -0.181 0.000 1.231 282 C CA -0.732 58.166 59.018 -0.200 0.000 1.652 282 C CB 1.617 29.392 27.740 0.059 0.000 2.198 282 C HN 0.892 nan 8.230 nan 0.000 0.483 283 N N 0.276 118.958 118.700 -0.028 0.000 2.434 283 N HA 0.399 5.139 4.740 0.001 0.000 0.266 283 N C -0.078 175.451 175.510 0.031 0.000 1.223 283 N CA -0.234 52.810 53.050 -0.009 0.000 0.972 283 N CB 0.419 38.931 38.487 0.042 0.000 1.207 283 N HN 0.803 nan 8.380 nan 0.000 0.525 284 S N -0.354 115.324 115.700 -0.038 0.000 2.558 284 S HA 0.017 4.488 4.470 0.001 0.000 0.287 284 S C 1.210 175.839 174.600 0.049 0.000 1.321 284 S CA -0.621 57.543 58.200 -0.059 0.000 1.048 284 S CB -0.206 62.791 63.200 -0.339 0.000 0.844 284 S HN 0.580 nan 8.310 nan 0.000 0.512 285 I N 1.775 122.377 120.570 0.053 0.000 2.394 285 I HA -0.126 4.044 4.170 0.001 0.000 0.251 285 I C 2.229 178.396 176.117 0.082 0.000 1.136 285 I CA 1.225 62.594 61.300 0.115 0.000 1.425 285 I CB -0.533 37.421 38.000 -0.077 0.000 1.079 285 I HN 0.845 nan 8.210 nan 0.000 0.425 286 I N 0.547 121.097 120.570 -0.033 0.000 2.252 286 I HA -0.132 4.038 4.170 0.001 0.000 0.245 286 I C 2.500 178.556 176.117 -0.102 0.000 1.102 286 I CA 1.715 62.955 61.300 -0.100 0.000 1.385 286 I CB -0.872 37.088 38.000 -0.067 0.000 1.064 286 I HN 0.017 nan 8.210 nan 0.000 0.414 287 A N 0.389 123.188 122.820 -0.035 0.000 1.902 287 A HA -0.160 4.161 4.320 0.001 0.000 0.217 287 A C 2.343 179.884 177.584 -0.073 0.000 1.181 287 A CA 2.618 54.534 52.037 -0.202 0.000 0.623 287 A CB -1.560 17.456 19.000 0.027 0.000 0.818 287 A HN 0.563 nan 8.150 nan 0.000 0.443 288 T N 0.386 114.978 114.554 0.062 0.000 2.668 288 T HA -0.134 4.216 4.350 0.001 0.000 0.262 288 T C 1.971 176.676 174.700 0.009 0.000 1.045 288 T CA 1.799 63.932 62.100 0.055 0.000 1.152 288 T CB -0.318 68.567 68.868 0.028 0.000 0.864 288 T HN 0.810 nan 8.240 nan 0.000 0.419 289 K N 0.767 121.237 120.400 0.117 0.000 2.160 289 K HA -0.135 4.186 4.320 0.001 0.000 0.206 289 K C 2.067 178.746 176.600 0.131 0.000 1.047 289 K CA 1.781 58.139 56.287 0.117 0.000 0.930 289 K CB -0.625 31.864 32.500 -0.019 0.000 0.720 289 K HN 0.143 nan 8.250 nan 0.000 0.450 290 T N 0.433 115.025 114.554 0.064 0.000 2.985 290 T HA 0.092 4.443 4.350 0.001 0.000 0.266 290 T C 1.924 176.793 174.700 0.282 0.000 1.076 290 T CA 0.914 63.142 62.100 0.214 0.000 1.135 290 T CB -0.111 68.778 68.868 0.035 0.000 0.890 290 T HN 0.489 nan 8.240 nan 0.000 0.480 291 A N 0.912 123.891 122.820 0.264 0.000 2.014 291 A HA 0.133 4.453 4.320 0.001 0.000 0.218 291 A C 2.088 179.760 177.584 0.147 0.000 1.163 291 A CA 0.912 53.136 52.037 0.313 0.000 0.652 291 A CB -0.582 18.610 19.000 0.319 0.000 0.808 291 A HN 0.461 nan 8.150 nan 0.000 0.449 292 L N -1.341 119.934 121.223 0.086 0.000 2.291 292 L HA -0.072 4.268 4.340 0.001 0.000 0.214 292 L C 2.248 179.153 176.870 0.057 0.000 1.120 292 L CA 0.992 55.847 54.840 0.026 0.000 0.799 292 L CB -0.050 41.982 42.059 -0.045 0.000 0.925 292 L HN 0.130 nan 8.230 nan 0.000 0.446 293 K N -0.178 120.292 120.400 0.117 0.000 2.128 293 K HA 0.128 4.448 4.320 0.001 0.000 0.202 293 K C 1.719 178.359 176.600 0.066 0.000 1.050 293 K CA 0.832 57.168 56.287 0.081 0.000 0.966 293 K CB -0.209 32.344 32.500 0.090 0.000 0.759 293 K HN 0.096 nan 8.250 nan 0.000 0.454 294 L N 0.300 121.586 121.223 0.106 0.000 2.622 294 L HA 0.134 4.474 4.340 0.001 0.000 0.233 294 L C 0.482 177.384 176.870 0.053 0.000 1.156 294 L CA -0.106 54.786 54.840 0.087 0.000 0.866 294 L CB -0.369 41.771 42.059 0.134 0.000 0.980 294 L HN 0.002 nan 8.230 nan 0.000 0.448 295 A N -1.124 121.721 122.820 0.043 0.000 2.498 295 A HA 0.475 4.796 4.320 0.001 0.000 0.298 295 A C -0.456 177.106 177.584 -0.036 0.000 1.075 295 A CA -0.566 51.484 52.037 0.022 0.000 0.714 295 A CB 1.330 20.356 19.000 0.044 0.000 1.299 295 A HN -0.043 nan 8.150 nan 0.000 0.407 296 D N -0.672 119.682 120.400 -0.075 0.000 2.367 296 D HA 0.217 4.858 4.640 0.001 0.000 0.207 296 D C -0.992 174.935 176.300 -0.622 0.000 1.034 296 D CA 1.585 55.403 54.000 -0.303 0.000 0.861 296 D CB 0.159 40.782 40.800 -0.297 0.000 0.943 296 D HN 0.446 nan 8.370 nan 0.000 0.515 297 Y N -0.797 119.502 120.300 -0.001 0.000 2.470 297 Y HA 0.481 5.032 4.550 0.001 0.000 0.341 297 Y C -0.570 175.324 175.900 -0.010 0.000 1.021 297 Y CA -1.031 57.065 58.100 -0.007 0.000 1.025 297 Y CB 2.265 40.722 38.460 -0.006 0.000 1.266 297 Y HN -0.450 nan 8.280 nan 0.000 0.448 298 V N 4.169 124.159 119.914 0.127 0.000 2.462 298 V HA 0.386 4.507 4.120 0.001 0.000 0.288 298 V C -0.837 175.283 176.094 0.043 0.000 1.020 298 V CA -0.818 61.519 62.300 0.062 0.000 0.857 298 V CB 1.630 33.454 31.823 0.002 0.000 1.013 298 V HN 0.562 nan 8.190 nan 0.000 0.431 299 V N 4.175 124.110 119.914 0.034 0.000 2.509 299 V HA 0.724 4.845 4.120 0.001 0.000 0.284 299 V C 0.335 176.420 176.094 -0.014 0.000 1.047 299 V CA 0.161 62.460 62.300 -0.000 0.000 0.952 299 V CB 1.807 33.626 31.823 -0.007 0.000 0.988 299 V HN 0.921 nan 8.190 nan 0.000 0.469 300 T N 3.693 118.210 114.554 -0.062 0.000 2.843 300 T HA 0.599 4.949 4.350 0.001 0.000 0.302 300 T C -1.288 173.303 174.700 -0.182 0.000 1.232 300 T CA -0.598 61.459 62.100 -0.072 0.000 1.009 300 T CB 1.902 70.764 68.868 -0.010 0.000 1.254 300 T HN 0.955 nan 8.240 nan 0.000 0.504 301 E N 1.053 121.148 120.200 -0.176 0.000 2.433 301 E HA 0.811 5.161 4.350 0.001 0.000 0.273 301 E C -1.431 175.020 176.600 -0.248 0.000 0.950 301 E CA -1.397 54.858 56.400 -0.241 0.000 0.796 301 E CB 2.027 31.630 29.700 -0.162 0.000 1.330 301 E HN 0.703 nan 8.360 nan 0.000 0.455 302 A N 0.865 123.521 122.820 -0.274 0.000 2.393 302 A HA 0.716 5.036 4.320 0.001 0.000 0.306 302 A C 0.116 177.579 177.584 -0.201 0.000 1.050 302 A CA -0.301 51.605 52.037 -0.218 0.000 0.724 302 A CB 1.399 20.259 19.000 -0.232 0.000 1.248 302 A HN 0.735 nan 8.150 nan 0.000 0.424 303 G N 0.649 109.310 108.800 -0.232 0.000 2.559 303 G HA2 0.487 4.447 3.960 0.001 0.000 0.235 303 G HA3 0.487 4.447 3.960 0.001 0.000 0.235 303 G C -0.098 174.662 174.900 -0.232 0.000 1.266 303 G CA 0.397 45.298 45.100 -0.332 0.000 0.847 303 G HN 0.979 nan 8.290 nan 0.000 0.583 304 F N -1.594 118.242 119.950 -0.190 0.000 2.183 304 F HA -0.125 4.403 4.527 0.000 0.000 0.318 304 F C 1.495 177.156 175.800 -0.230 0.000 0.454 304 F CA 0.287 58.152 58.000 -0.226 0.000 0.912 304 F CB -1.296 37.572 39.000 -0.221 0.000 4.135 304 F HN 1.020 nan 8.300 nan 0.000 0.137 305 G N -0.129 108.642 108.800 -0.049 0.000 2.661 305 G HA2 0.464 4.425 3.960 0.001 0.000 0.272 305 G HA3 0.464 4.425 3.960 0.001 0.000 0.272 305 G C 0.794 175.570 174.900 -0.206 0.000 1.296 305 G CA 0.040 45.004 45.100 -0.226 0.000 0.998 305 G HN 1.457 nan 8.290 nan 0.000 0.553 306 A N -0.632 121.969 122.820 -0.365 0.000 2.206 306 A HA 0.051 4.371 4.320 0.001 0.000 0.211 306 A C 1.813 179.473 177.584 0.126 0.000 1.158 306 A CA 1.606 53.562 52.037 -0.135 0.000 0.761 306 A CB -0.226 18.696 19.000 -0.130 0.000 0.801 306 A HN 0.685 nan 8.150 nan 0.000 0.473 307 D N -0.689 119.810 120.400 0.165 0.000 2.355 307 D HA 0.034 4.674 4.640 0.001 0.000 0.218 307 D C 1.238 177.736 176.300 0.331 0.000 1.004 307 D CA 0.440 54.655 54.000 0.360 0.000 0.880 307 D CB 0.054 41.000 40.800 0.244 0.000 0.911 307 D HN 0.503 nan 8.370 nan 0.000 0.528 308 L N -0.412 120.917 121.223 0.176 0.000 3.534 308 L HA 0.284 4.624 4.340 0.001 0.000 0.174 308 L C 2.586 179.545 176.870 0.148 0.000 1.215 308 L CA 0.366 55.327 54.840 0.201 0.000 0.857 308 L CB -0.953 41.225 42.059 0.199 0.000 1.502 308 L HN 0.013 nan 8.230 nan 0.000 0.614 309 G N 0.506 109.360 108.800 0.089 0.000 2.631 309 G HA2 -0.361 3.599 3.960 0.001 0.000 0.219 309 G HA3 -0.361 3.599 3.960 0.001 0.000 0.219 309 G C 1.636 176.512 174.900 -0.039 0.000 1.214 309 G CA 1.657 46.757 45.100 0.000 0.000 0.785 309 G HN 0.480 nan 8.290 nan 0.000 0.596 310 A N 1.296 124.031 122.820 -0.142 0.000 1.869 310 A HA -0.213 4.107 4.320 0.001 0.000 0.218 310 A C 2.215 179.606 177.584 -0.322 0.000 1.203 310 A CA 2.987 54.809 52.037 -0.358 0.000 0.638 310 A CB -0.890 17.947 19.000 -0.271 0.000 0.831 310 A HN 0.609 nan 8.150 nan 0.000 0.450 311 E N 0.509 120.705 120.200 -0.006 0.000 2.068 311 E HA -0.271 4.079 4.350 0.001 0.000 0.207 311 E C 1.769 178.476 176.600 0.179 0.000 1.032 311 E CA 2.485 58.996 56.400 0.184 0.000 0.839 311 E CB -0.500 29.413 29.700 0.355 0.000 0.758 311 E HN 0.659 nan 8.360 nan 0.000 0.457 312 K N -0.851 119.652 120.400 0.171 0.000 2.211 312 K HA -0.054 4.266 4.320 0.001 0.000 0.203 312 K C 2.116 178.785 176.600 0.116 0.000 1.050 312 K CA 1.066 57.454 56.287 0.167 0.000 0.945 312 K CB -0.396 32.222 32.500 0.196 0.000 0.732 312 K HN 0.187 nan 8.250 nan 0.000 0.451 313 F N 0.827 120.738 119.950 -0.066 0.000 2.134 313 F HA -0.224 4.304 4.527 0.001 0.000 0.299 313 F C 1.723 177.533 175.800 0.017 0.000 1.097 313 F CA 1.455 59.400 58.000 -0.092 0.000 1.264 313 F CB -0.210 38.617 39.000 -0.288 0.000 1.001 313 F HN 0.003 nan 8.300 nan 0.000 0.479 314 Y N -0.282 120.050 120.300 0.052 0.000 2.243 314 Y HA -0.152 4.399 4.550 0.000 0.000 0.293 314 Y C 2.000 177.974 175.900 0.123 0.000 1.124 314 Y CA 0.473 58.628 58.100 0.093 0.000 1.159 314 Y CB -0.171 38.093 38.460 -0.327 0.000 1.008 314 Y HN -0.006 nan 8.280 nan 0.000 0.527 315 D N -1.093 119.432 120.400 0.208 0.000 2.346 315 D HA -0.016 4.625 4.640 0.001 0.000 0.206 315 D C 1.592 177.856 176.300 -0.059 0.000 1.001 315 D CA 0.645 54.684 54.000 0.065 0.000 0.871 315 D CB 0.566 41.438 40.800 0.120 0.000 0.943 315 D HN 0.161 nan 8.370 nan 0.000 0.518 316 V N -0.011 119.809 119.914 -0.157 0.000 3.001 316 V HA 0.031 4.151 4.120 0.001 0.000 0.228 316 V C 2.077 177.732 176.094 -0.732 0.000 1.204 316 V CA 0.144 62.145 62.300 -0.498 0.000 1.247 316 V CB -0.089 31.468 31.823 -0.444 0.000 1.093 316 V HN -0.089 nan 8.190 nan 0.000 0.504 317 K N 0.321 120.422 120.400 -0.498 0.000 1.974 317 K HA -0.236 4.085 4.320 0.001 0.000 0.226 317 K C 2.247 178.575 176.600 -0.453 0.000 1.039 317 K CA 2.660 58.678 56.287 -0.449 0.000 1.022 317 K CB -0.773 31.549 32.500 -0.297 0.000 0.746 317 K HN 0.490 nan 8.250 nan 0.000 0.445 318 C N 0.855 119.878 119.300 -0.462 0.000 2.382 318 C HA -0.185 4.275 4.460 0.001 0.000 0.274 318 C C 2.822 177.700 174.990 -0.187 0.000 1.180 318 C CA 1.429 60.228 59.018 -0.365 0.000 1.799 318 C CB -1.325 26.169 27.740 -0.410 0.000 2.094 318 C HN 0.645 nan 8.230 nan 0.000 0.468 319 R N -0.413 120.047 120.500 -0.066 0.000 2.080 319 R HA -0.144 4.197 4.340 0.001 0.000 0.236 319 R C 2.221 178.574 176.300 0.089 0.000 1.137 319 R CA 1.967 58.098 56.100 0.052 0.000 0.943 319 R CB -0.521 29.806 30.300 0.044 0.000 0.846 319 R HN 0.711 nan 8.270 nan 0.000 0.431 320 Y N -0.636 119.552 120.300 -0.187 0.000 2.163 320 Y HA -0.115 4.435 4.550 0.001 0.000 0.288 320 Y C 2.426 178.142 175.900 -0.307 0.000 1.136 320 Y CA 0.176 58.148 58.100 -0.214 0.000 1.147 320 Y CB -0.072 38.251 38.460 -0.229 0.000 0.987 320 Y HN 0.294 nan 8.280 nan 0.000 0.509 321 A N 0.023 122.633 122.820 -0.349 0.000 2.167 321 A HA 0.181 4.501 4.320 0.001 0.000 0.214 321 A C 2.023 179.270 177.584 -0.562 0.000 1.151 321 A CA 1.035 52.623 52.037 -0.750 0.000 0.735 321 A CB -1.098 16.760 19.000 -1.903 0.000 0.802 321 A HN 0.633 nan 8.150 nan 0.000 0.467 322 G N -1.559 107.067 108.800 -0.291 0.000 2.155 322 G HA2 -0.307 3.653 3.960 0.001 0.000 0.257 322 G HA3 -0.307 3.653 3.960 0.001 0.000 0.257 322 G C 0.229 175.134 174.900 0.008 0.000 0.983 322 G CA 0.284 45.332 45.100 -0.086 0.000 0.676 322 G HN 0.470 nan 8.290 nan 0.000 0.528 323 F N -0.069 119.793 119.950 -0.147 0.000 2.535 323 F HA 0.371 4.898 4.527 0.001 0.000 0.332 323 F C 1.438 177.017 175.800 -0.368 0.000 1.208 323 F CA 0.177 58.045 58.000 -0.220 0.000 1.330 323 F CB 0.476 39.306 39.000 -0.284 0.000 1.167 323 F HN -0.097 nan 8.300 nan 0.000 0.597 324 K N 1.920 122.238 120.400 -0.136 0.000 2.950 324 K HA 0.246 4.567 4.320 0.001 0.000 0.199 324 K C -2.632 173.852 176.600 -0.193 0.000 1.144 324 K CA -1.601 54.512 56.287 -0.290 0.000 0.983 324 K CB 1.192 33.675 32.500 -0.028 0.000 1.187 324 K HN 0.109 nan 8.250 nan 0.000 0.595 325 P HA -0.168 nan 4.420 nan 0.000 0.264 325 P C -0.232 177.109 177.300 0.069 0.000 1.156 325 P CA 0.736 63.852 63.100 0.027 0.000 0.756 325 P CB 0.584 32.422 31.700 0.231 0.000 0.764 326 D N 1.080 121.527 120.400 0.078 0.000 2.379 326 D HA 0.210 4.850 4.640 0.001 0.000 0.218 326 D C 0.713 177.070 176.300 0.095 0.000 1.006 326 D CA 0.592 54.639 54.000 0.078 0.000 0.893 326 D CB 0.614 41.453 40.800 0.064 0.000 1.019 326 D HN 0.420 nan 8.370 nan 0.000 0.503 327 A N -0.320 122.564 122.820 0.107 0.000 2.529 327 A HA 0.677 4.998 4.320 0.001 0.000 0.296 327 A C -1.186 176.469 177.584 0.117 0.000 1.205 327 A CA -0.384 51.715 52.037 0.104 0.000 0.671 327 A CB 2.122 21.172 19.000 0.083 0.000 1.301 327 A HN -0.118 nan 8.150 nan 0.000 0.450 328 T N 0.136 114.749 114.554 0.100 0.000 3.933 328 T HA 0.426 4.776 4.350 0.001 0.000 0.357 328 T C -1.461 173.268 174.700 0.049 0.000 1.077 328 T CA -0.246 61.902 62.100 0.080 0.000 1.082 328 T CB 0.961 69.933 68.868 0.173 0.000 1.158 328 T HN 0.808 nan 8.240 nan 0.000 0.472 329 V N 5.348 125.265 119.914 0.004 0.000 2.607 329 V HA 0.619 4.739 4.120 0.001 0.000 0.289 329 V C 0.232 176.314 176.094 -0.020 0.000 1.053 329 V CA -0.617 61.683 62.300 0.001 0.000 0.996 329 V CB 1.530 33.346 31.823 -0.012 0.000 0.995 329 V HN 0.785 nan 8.190 nan 0.000 0.476 330 I N 4.715 125.283 120.570 -0.003 0.000 2.498 330 I HA 0.607 4.777 4.170 0.001 0.000 0.290 330 I C -0.897 175.212 176.117 -0.014 0.000 1.032 330 I CA -0.554 60.731 61.300 -0.026 0.000 1.073 330 I CB 1.939 39.936 38.000 -0.004 0.000 1.251 330 I HN 0.356 nan 8.210 nan 0.000 0.426 331 V N 6.770 126.661 119.914 -0.039 0.000 2.539 331 V HA 0.898 5.019 4.120 0.001 0.000 0.292 331 V C 0.221 176.309 176.094 -0.011 0.000 1.045 331 V CA -0.302 61.989 62.300 -0.016 0.000 0.945 331 V CB 1.061 32.867 31.823 -0.027 0.000 0.993 331 V HN 0.879 nan 8.190 nan 0.000 0.464 332 A N 2.838 125.673 122.820 0.025 0.000 2.540 332 A HA 0.815 5.135 4.320 0.001 0.000 0.297 332 A C -0.282 177.332 177.584 0.051 0.000 1.056 332 A CA -0.290 51.769 52.037 0.037 0.000 0.700 332 A CB 1.903 20.939 19.000 0.061 0.000 1.280 332 A HN 0.927 nan 8.150 nan 0.000 0.398 333 T N -0.995 113.575 114.554 0.027 0.000 2.948 333 T HA 0.579 4.929 4.350 0.001 0.000 0.285 333 T C 0.982 175.693 174.700 0.017 0.000 1.019 333 T CA -0.067 62.040 62.100 0.011 0.000 1.013 333 T CB 1.096 69.924 68.868 -0.066 0.000 1.117 333 T HN 0.645 nan 8.240 nan 0.000 0.533 334 V N 1.014 120.931 119.914 0.006 0.000 2.346 334 V HA -0.058 4.062 4.120 0.001 0.000 0.244 334 V C 2.973 179.050 176.094 -0.028 0.000 1.037 334 V CA 1.379 63.684 62.300 0.008 0.000 1.029 334 V CB -0.887 30.941 31.823 0.008 0.000 0.663 334 V HN 0.799 nan 8.190 nan 0.000 0.454 335 R N 0.515 120.953 120.500 -0.103 0.000 2.091 335 R HA -0.163 4.177 4.340 0.001 0.000 0.238 335 R C 2.409 178.640 176.300 -0.114 0.000 1.136 335 R CA 1.647 57.658 56.100 -0.148 0.000 0.959 335 R CB -0.665 29.448 30.300 -0.312 0.000 0.856 335 R HN 0.535 nan 8.270 nan 0.000 0.437 336 A N 0.773 123.532 122.820 -0.102 0.000 1.930 336 A HA -0.124 4.196 4.320 0.001 0.000 0.217 336 A C 1.973 179.574 177.584 0.030 0.000 1.175 336 A CA 0.997 52.995 52.037 -0.064 0.000 0.627 336 A CB -0.312 18.669 19.000 -0.032 0.000 0.815 336 A HN 0.092 nan 8.150 nan 0.000 0.443 337 L N 0.017 121.285 121.223 0.074 0.000 1.976 337 L HA -0.129 4.211 4.340 0.001 0.000 0.209 337 L C 2.346 179.283 176.870 0.112 0.000 1.071 337 L CA 2.047 56.973 54.840 0.143 0.000 0.746 337 L CB -0.873 41.263 42.059 0.128 0.000 0.890 337 L HN 0.343 nan 8.230 nan 0.000 0.432 338 K N -1.357 119.071 120.400 0.047 0.000 2.113 338 K HA -0.219 4.102 4.320 0.001 0.000 0.208 338 K C 2.119 178.722 176.600 0.005 0.000 1.047 338 K CA 1.485 57.788 56.287 0.025 0.000 0.928 338 K CB -0.209 32.288 32.500 -0.005 0.000 0.716 338 K HN 0.297 nan 8.250 nan 0.000 0.446 339 M N -0.069 119.508 119.600 -0.039 0.000 2.108 339 M HA -0.198 4.282 4.480 0.001 0.000 0.261 339 M C 1.907 178.150 176.300 -0.095 0.000 1.066 339 M CA 1.503 56.742 55.300 -0.103 0.000 1.107 339 M CB -0.380 32.111 32.600 -0.182 0.000 1.356 339 M HN 0.265 nan 8.290 nan 0.000 0.406 340 H N -1.164 117.901 119.070 -0.008 0.000 2.545 340 H HA 0.010 4.566 4.556 0.001 0.000 0.282 340 H C 1.833 177.169 175.328 0.014 0.000 1.020 340 H CA 1.342 57.394 56.048 0.006 0.000 1.243 340 H CB -0.299 29.477 29.762 0.023 0.000 1.377 340 H HN 0.416 nan 8.280 nan 0.000 0.581 341 G N -1.196 107.675 108.800 0.118 0.000 3.141 341 G HA2 0.252 4.212 3.960 0.001 0.000 0.218 341 G HA3 0.252 4.212 3.960 0.001 0.000 0.218 341 G C 1.240 176.164 174.900 0.040 0.000 1.170 341 G CA 0.543 45.691 45.100 0.079 0.000 0.769 341 G HN 0.553 nan 8.290 nan 0.000 0.546 342 G N -1.002 107.809 108.800 0.018 0.000 2.278 342 G HA2 -0.247 3.713 3.960 0.001 0.000 0.210 342 G HA3 -0.247 3.713 3.960 0.001 0.000 0.210 342 G C 0.393 175.280 174.900 -0.022 0.000 1.000 342 G CA -0.039 45.059 45.100 -0.004 0.000 0.635 342 G HN 0.621 nan 8.290 nan 0.000 0.495 343 V N 3.619 123.520 119.914 -0.022 0.000 2.617 343 V HA 0.276 4.396 4.120 0.001 0.000 0.304 343 V C -0.616 175.447 176.094 -0.051 0.000 1.040 343 V CA -0.144 62.137 62.300 -0.032 0.000 1.149 343 V CB 0.917 32.723 31.823 -0.029 0.000 0.914 343 V HN 0.242 nan 8.190 nan 0.000 0.487 344 P HA 0.069 nan 4.420 nan 0.000 0.285 344 P C 0.833 178.091 177.300 -0.070 0.000 1.282 344 P CA -0.308 62.757 63.100 -0.059 0.000 0.778 344 P CB 0.575 32.246 31.700 -0.047 0.000 1.222 345 K N -0.219 120.136 120.400 -0.075 0.000 2.128 345 K HA -0.043 4.277 4.320 0.001 0.000 0.202 345 K C 1.870 178.431 176.600 -0.065 0.000 1.050 345 K CA 1.255 57.493 56.287 -0.083 0.000 0.966 345 K CB -0.295 32.153 32.500 -0.087 0.000 0.759 345 K HN 0.312 nan 8.250 nan 0.000 0.454 346 S N 1.815 117.485 115.700 -0.051 0.000 2.356 346 S HA -0.130 4.340 4.470 0.001 0.000 0.223 346 S C 0.879 175.462 174.600 -0.029 0.000 1.032 346 S CA 1.665 59.843 58.200 -0.037 0.000 1.005 346 S CB -0.386 62.795 63.200 -0.032 0.000 0.867 346 S HN 0.389 nan 8.310 nan 0.000 0.449 347 D N 1.264 121.647 120.400 -0.030 0.000 2.319 347 D HA 0.250 4.891 4.640 0.001 0.000 0.230 347 D C 1.340 177.626 176.300 -0.023 0.000 1.094 347 D CA -0.025 53.962 54.000 -0.022 0.000 0.856 347 D CB -0.437 40.351 40.800 -0.020 0.000 0.915 347 D HN 0.288 nan 8.370 nan 0.000 0.517 348 L N 0.743 121.945 121.223 -0.036 0.000 2.043 348 L HA -0.216 4.125 4.340 0.001 0.000 0.212 348 L C 2.401 179.257 176.870 -0.024 0.000 1.075 348 L CA 1.341 56.153 54.840 -0.045 0.000 0.752 348 L CB -0.448 41.561 42.059 -0.082 0.000 0.891 348 L HN 0.102 nan 8.230 nan 0.000 0.432 349 A N -0.966 121.854 122.820 -0.001 0.000 2.024 349 A HA -0.108 4.213 4.320 0.001 0.000 0.220 349 A C 1.291 178.889 177.584 0.024 0.000 1.164 349 A CA 1.264 53.321 52.037 0.033 0.000 0.643 349 A CB -0.804 18.225 19.000 0.049 0.000 0.806 349 A HN 0.375 nan 8.150 nan 0.000 0.451 350 T N 1.033 115.592 114.554 0.008 0.000 2.901 350 T HA 0.280 4.631 4.350 0.001 0.000 0.301 350 T C 0.216 174.917 174.700 0.002 0.000 1.012 350 T CA -0.316 61.787 62.100 0.005 0.000 1.135 350 T CB 0.912 69.780 68.868 -0.001 0.000 0.936 350 T HN 0.553 nan 8.240 nan 0.000 0.539 351 E N 1.940 122.141 120.200 0.003 0.000 2.425 351 E HA 0.039 4.389 4.350 0.001 0.000 0.258 351 E C 0.056 176.654 176.600 -0.005 0.000 1.151 351 E CA -0.210 56.189 56.400 -0.001 0.000 0.958 351 E CB 0.315 30.013 29.700 -0.002 0.000 0.968 351 E HN 0.596 nan 8.360 nan 0.000 0.451 352 N N 3.135 121.830 118.700 -0.007 0.000 3.804 352 N HA -0.030 4.710 4.740 0.001 0.000 0.127 352 N C -0.471 175.035 175.510 -0.007 0.000 1.217 352 N CA -0.080 52.967 53.050 -0.006 0.000 1.795 352 N CB -0.593 37.891 38.487 -0.004 0.000 1.663 352 N HN 0.398 nan 8.380 nan 0.000 0.723 353 L N 0.744 121.959 121.223 -0.013 0.000 2.197 353 L HA -0.154 4.186 4.340 0.001 0.000 0.215 353 L C 2.194 179.059 176.870 -0.009 0.000 1.095 353 L CA 1.641 56.470 54.840 -0.020 0.000 0.764 353 L CB -0.206 41.836 42.059 -0.029 0.000 0.897 353 L HN 0.452 nan 8.230 nan 0.000 0.436 354 E N -0.299 119.899 120.200 -0.003 0.000 2.028 354 E HA -0.108 4.242 4.350 0.001 0.000 0.190 354 E C 2.385 178.996 176.600 0.017 0.000 0.984 354 E CA 1.381 57.784 56.400 0.005 0.000 0.800 354 E CB -0.662 29.040 29.700 0.003 0.000 0.758 354 E HN 0.456 nan 8.360 nan 0.000 0.448 355 A N 1.821 124.650 122.820 0.016 0.000 2.015 355 A HA -0.067 4.253 4.320 0.001 0.000 0.219 355 A C 2.232 179.842 177.584 0.044 0.000 1.163 355 A CA 0.823 52.875 52.037 0.026 0.000 0.646 355 A CB -0.602 18.407 19.000 0.014 0.000 0.806 355 A HN 0.233 nan 8.150 nan 0.000 0.448 356 L N -1.236 120.008 121.223 0.036 0.000 2.109 356 L HA -0.083 4.257 4.340 0.001 0.000 0.207 356 L C 2.659 179.578 176.870 0.083 0.000 1.086 356 L CA 1.433 56.306 54.840 0.054 0.000 0.760 356 L CB -0.333 41.738 42.059 0.021 0.000 0.910 356 L HN 0.455 nan 8.230 nan 0.000 0.437 357 R N -0.324 120.206 120.500 0.050 0.000 2.075 357 R HA -0.145 4.196 4.340 0.001 0.000 0.232 357 R C 2.003 178.375 176.300 0.119 0.000 1.126 357 R CA 1.313 57.446 56.100 0.054 0.000 0.963 357 R CB 0.105 30.410 30.300 0.008 0.000 0.858 357 R HN 0.336 nan 8.270 nan 0.000 0.435 358 E N -0.798 119.457 120.200 0.093 0.000 2.274 358 E HA -0.052 4.298 4.350 0.001 0.000 0.194 358 E C 1.740 178.411 176.600 0.120 0.000 0.996 358 E CA 0.990 57.448 56.400 0.097 0.000 0.840 358 E CB -0.023 29.716 29.700 0.065 0.000 0.772 358 E HN 0.533 nan 8.360 nan 0.000 0.491 359 G N 0.499 109.383 108.800 0.140 0.000 2.403 359 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 359 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 359 G C 1.396 176.384 174.900 0.146 0.000 1.154 359 G CA 0.088 45.281 45.100 0.155 0.000 0.784 359 G HN 0.231 nan 8.290 nan 0.000 0.538 360 F N 2.699 122.672 119.950 0.038 0.000 2.184 360 F HA -0.173 4.354 4.527 0.001 0.000 0.301 360 F C 2.717 178.533 175.800 0.026 0.000 1.076 360 F CA 1.100 59.122 58.000 0.036 0.000 1.295 360 F CB -0.150 38.870 39.000 0.032 0.000 1.026 360 F HN 0.235 nan 8.300 nan 0.000 0.494 361 A N -0.128 122.741 122.820 0.083 0.000 1.997 361 A HA -0.317 4.004 4.320 0.001 0.000 0.221 361 A C 1.993 179.493 177.584 -0.140 0.000 1.172 361 A CA 2.164 54.191 52.037 -0.017 0.000 0.645 361 A CB -1.165 17.849 19.000 0.022 0.000 0.813 361 A HN 0.577 nan 8.150 nan 0.000 0.454 362 N N -0.588 118.022 118.700 -0.150 0.000 2.022 362 N HA -0.138 4.602 4.740 0.001 0.000 0.194 362 N C 1.625 177.034 175.510 -0.168 0.000 1.057 362 N CA 1.625 54.562 53.050 -0.189 0.000 0.849 362 N CB -0.310 37.933 38.487 -0.407 0.000 1.044 362 N HN 0.334 nan 8.380 nan 0.000 0.424 363 L N 1.675 122.778 121.223 -0.200 0.000 2.043 363 L HA -0.146 4.195 4.340 0.001 0.000 0.212 363 L C 1.915 178.594 176.870 -0.318 0.000 1.075 363 L CA 1.880 56.613 54.840 -0.178 0.000 0.752 363 L CB -1.064 40.810 42.059 -0.308 0.000 0.891 363 L HN 0.388 nan 8.230 nan 0.000 0.432 364 E N -0.900 118.905 120.200 -0.659 0.000 2.331 364 E HA -0.294 4.056 4.350 0.001 0.000 0.199 364 E C 1.972 178.471 176.600 -0.168 0.000 1.008 364 E CA 1.090 57.224 56.400 -0.444 0.000 0.843 364 E CB 0.045 29.533 29.700 -0.353 0.000 0.761 364 E HN 0.454 nan 8.360 nan 0.000 0.507 365 K N -0.126 120.168 120.400 -0.175 0.000 2.099 365 K HA -0.071 4.249 4.320 0.001 0.000 0.203 365 K C 1.933 178.517 176.600 -0.027 0.000 1.047 365 K CA 1.339 57.524 56.287 -0.171 0.000 0.963 365 K CB -0.279 31.994 32.500 -0.379 0.000 0.759 365 K HN 0.189 nan 8.250 nan 0.000 0.451 366 H N 1.060 120.230 119.070 0.167 0.000 2.352 366 H HA -0.104 4.452 4.556 0.000 0.000 0.299 366 H C 1.951 177.360 175.328 0.135 0.000 1.097 366 H CA 1.714 57.882 56.048 0.199 0.000 1.311 366 H CB -0.157 29.678 29.762 0.122 0.000 1.377 366 H HN 0.127 nan 8.280 nan 0.000 0.504 367 I N 1.289 121.965 120.570 0.176 0.000 2.069 367 I HA -0.282 3.888 4.170 0.001 0.000 0.237 367 I C 2.307 178.510 176.117 0.142 0.000 1.053 367 I CA 1.327 62.706 61.300 0.131 0.000 1.311 367 I CB -1.240 36.803 38.000 0.072 0.000 1.030 367 I HN 0.287 nan 8.210 nan 0.000 0.398 368 E N 0.770 121.027 120.200 0.096 0.000 2.086 368 E HA -0.265 4.086 4.350 0.001 0.000 0.200 368 E C 1.952 178.626 176.600 0.124 0.000 1.012 368 E CA 1.618 58.067 56.400 0.082 0.000 0.812 368 E CB -0.217 29.500 29.700 0.028 0.000 0.743 368 E HN 0.523 nan 8.360 nan 0.000 0.453 369 N N 0.818 119.627 118.700 0.182 0.000 2.039 369 N HA -0.143 4.598 4.740 0.001 0.000 0.193 369 N C 1.994 177.744 175.510 0.399 0.000 1.044 369 N CA 1.019 54.234 53.050 0.275 0.000 0.847 369 N CB -0.440 38.280 38.487 0.388 0.000 1.030 369 N HN 0.159 nan 8.380 nan 0.000 0.422 370 I N 0.872 121.691 120.570 0.415 0.000 2.381 370 I HA -0.219 3.951 4.170 0.001 0.000 0.255 370 I C 2.235 178.568 176.117 0.359 0.000 1.140 370 I CA 1.362 62.939 61.300 0.462 0.000 1.404 370 I CB -0.493 37.703 38.000 0.326 0.000 1.075 370 I HN 0.189 nan 8.210 nan 0.000 0.433 371 G N 0.208 109.149 108.800 0.236 0.000 2.430 371 G HA2 -0.164 3.796 3.960 0.001 0.000 0.216 371 G HA3 -0.164 3.796 3.960 0.001 0.000 0.216 371 G C 1.546 176.511 174.900 0.109 0.000 1.146 371 G CA 0.053 45.243 45.100 0.150 0.000 0.793 371 G HN 0.308 nan 8.290 nan 0.000 0.537 372 K N -0.415 120.032 120.400 0.079 0.000 2.616 372 K HA 0.090 4.411 4.320 0.001 0.000 0.192 372 K C 0.696 177.091 176.600 -0.342 0.000 1.031 372 K CA 0.306 56.526 56.287 -0.113 0.000 1.004 372 K CB -0.140 32.252 32.500 -0.180 0.000 0.810 372 K HN 0.429 nan 8.250 nan 0.000 0.497 373 F N -1.435 118.497 119.950 -0.029 0.000 2.746 373 F HA 0.204 4.731 4.527 0.000 0.000 0.313 373 F C 1.392 176.852 175.800 -0.566 0.000 1.095 373 F CA 0.089 57.919 58.000 -0.283 0.000 1.224 373 F CB 1.427 40.081 39.000 -0.576 0.000 1.060 373 F HN 0.085 nan 8.300 nan 0.000 0.584 374 G N 1.296 110.034 108.800 -0.104 0.000 2.141 374 G HA2 -0.197 3.763 3.960 0.001 0.000 0.231 374 G HA3 -0.197 3.763 3.960 0.001 0.000 0.231 374 G C -0.082 174.787 174.900 -0.052 0.000 0.984 374 G CA 0.122 45.135 45.100 -0.145 0.000 0.660 374 G HN 0.541 nan 8.290 nan 0.000 0.525 375 V N -0.703 119.222 119.914 0.018 0.000 2.483 375 V HA 0.880 5.000 4.120 0.001 0.000 0.295 375 V C -1.972 174.186 176.094 0.108 0.000 1.035 375 V CA -2.090 60.259 62.300 0.082 0.000 0.896 375 V CB 1.886 33.785 31.823 0.127 0.000 0.986 375 V HN 0.163 nan 8.190 nan 0.000 0.447 376 P HA 0.387 nan 4.420 nan 0.000 0.276 376 P C -0.495 176.869 177.300 0.106 0.000 1.230 376 P CA 0.100 63.257 63.100 0.094 0.000 0.776 376 P CB 1.412 33.158 31.700 0.078 0.000 0.888 377 A N 3.294 126.178 122.820 0.106 0.000 2.325 377 A HA 0.646 4.967 4.320 0.001 0.000 0.333 377 A C -0.695 176.939 177.584 0.084 0.000 1.155 377 A CA -0.648 51.452 52.037 0.105 0.000 0.814 377 A CB 1.160 20.234 19.000 0.123 0.000 1.206 377 A HN 0.358 nan 8.150 nan 0.000 0.482 378 V N 2.645 122.601 119.914 0.071 0.000 2.569 378 V HA 0.318 4.438 4.120 0.001 0.000 0.301 378 V C -0.212 175.917 176.094 0.057 0.000 1.044 378 V CA -0.587 61.748 62.300 0.059 0.000 0.874 378 V CB 1.433 33.280 31.823 0.040 0.000 1.002 378 V HN 0.707 nan 8.190 nan 0.000 0.424 379 V N 3.571 123.529 119.914 0.074 0.000 2.732 379 V HA 0.769 4.889 4.120 0.001 0.000 0.297 379 V C 0.575 176.713 176.094 0.073 0.000 1.060 379 V CA -0.011 62.337 62.300 0.081 0.000 1.038 379 V CB 1.723 33.620 31.823 0.124 0.000 1.003 379 V HN 1.040 nan 8.190 nan 0.000 0.481 380 A N 5.394 128.254 122.820 0.067 0.000 2.335 380 A HA 0.722 5.042 4.320 0.001 0.000 0.304 380 A C -0.829 176.810 177.584 0.091 0.000 1.118 380 A CA -0.512 51.564 52.037 0.066 0.000 0.757 380 A CB 0.795 19.819 19.000 0.040 0.000 1.188 380 A HN 0.563 nan 8.150 nan 0.000 0.460 381 I N 3.484 124.132 120.570 0.130 0.000 2.256 381 I HA 0.086 4.257 4.170 0.001 0.000 0.294 381 I C 0.657 176.853 176.117 0.132 0.000 1.127 381 I CA -0.345 61.048 61.300 0.154 0.000 1.247 381 I CB -0.185 37.967 38.000 0.252 0.000 1.460 381 I HN 0.730 nan 8.210 nan 0.000 0.511 382 N N 5.200 123.958 118.700 0.097 0.000 2.386 382 N HA -0.007 4.734 4.740 0.001 0.000 0.273 382 N C 0.146 175.735 175.510 0.132 0.000 1.331 382 N CA -0.036 53.073 53.050 0.098 0.000 0.891 382 N CB 0.817 39.338 38.487 0.056 0.000 1.139 382 N HN 0.654 nan 8.380 nan 0.000 0.487 383 A N 4.084 126.999 122.820 0.158 0.000 2.498 383 A HA 0.279 4.599 4.320 0.001 0.000 0.239 383 A C -0.490 177.232 177.584 0.229 0.000 1.068 383 A CA 0.253 52.398 52.037 0.181 0.000 0.766 383 A CB 0.034 19.132 19.000 0.163 0.000 1.003 383 A HN 0.690 nan 8.150 nan 0.000 0.497 384 F N 2.629 122.592 119.950 0.022 0.000 2.588 384 F HA 0.503 5.030 4.527 0.001 0.000 0.314 384 F C -2.101 173.703 175.800 0.007 0.000 1.134 384 F CA -1.618 56.372 58.000 -0.017 0.000 0.961 384 F CB 2.089 41.058 39.000 -0.052 0.000 1.239 384 F HN 0.438 nan 8.300 nan 0.000 0.448 385 P HA -0.238 nan 4.420 nan 0.000 0.219 385 P C 1.543 178.821 177.300 -0.036 0.000 1.158 385 P CA 3.059 66.009 63.100 -0.251 0.000 0.895 385 P CB -0.094 31.368 31.700 -0.397 0.000 0.792 386 T N -4.253 110.367 114.554 0.111 0.000 2.867 386 T HA -0.080 4.271 4.350 0.001 0.000 0.268 386 T C 0.556 175.337 174.700 0.136 0.000 1.057 386 T CA 0.482 62.678 62.100 0.161 0.000 1.136 386 T CB -1.127 67.877 68.868 0.227 0.000 0.874 386 T HN 0.008 nan 8.240 nan 0.000 0.466 387 D N 3.625 124.134 120.400 0.182 0.000 2.581 387 D HA 0.099 4.739 4.640 0.001 0.000 0.238 387 D C 0.847 177.180 176.300 0.055 0.000 1.145 387 D CA 0.642 54.703 54.000 0.102 0.000 0.866 387 D CB 0.727 41.597 40.800 0.117 0.000 1.151 387 D HN 0.629 nan 8.370 nan 0.000 0.500 388 T N -0.423 114.144 114.554 0.023 0.000 2.881 388 T HA 0.165 4.516 4.350 0.001 0.000 0.278 388 T C 1.180 175.871 174.700 -0.015 0.000 0.982 388 T CA -0.717 61.388 62.100 0.008 0.000 0.989 388 T CB 1.602 70.471 68.868 0.000 0.000 1.058 388 T HN 0.157 nan 8.240 nan 0.000 0.529 389 E N 0.911 121.105 120.200 -0.009 0.000 2.072 389 E HA -0.065 4.285 4.350 0.001 0.000 0.191 389 E C 2.476 179.042 176.600 -0.058 0.000 0.985 389 E CA 1.362 57.749 56.400 -0.021 0.000 0.801 389 E CB -0.947 28.758 29.700 0.008 0.000 0.750 389 E HN 0.853 nan 8.360 nan 0.000 0.452 390 A N 1.383 124.179 122.820 -0.039 0.000 2.139 390 A HA -0.248 4.072 4.320 0.001 0.000 0.221 390 A C 1.903 179.443 177.584 -0.072 0.000 1.159 390 A CA 1.672 53.682 52.037 -0.046 0.000 0.662 390 A CB -0.317 18.667 19.000 -0.028 0.000 0.796 390 A HN 0.257 nan 8.150 nan 0.000 0.463 391 E N -0.659 119.491 120.200 -0.084 0.000 2.083 391 E HA 0.098 4.448 4.350 0.001 0.000 0.193 391 E C 1.944 178.423 176.600 -0.202 0.000 0.950 391 E CA 0.355 56.693 56.400 -0.102 0.000 0.849 391 E CB -0.265 29.401 29.700 -0.057 0.000 0.827 391 E HN 0.514 nan 8.360 nan 0.000 0.465 392 L N 1.885 122.957 121.223 -0.251 0.000 1.978 392 L HA -0.267 4.074 4.340 0.001 0.000 0.218 392 L C 2.206 178.475 176.870 -1.002 0.000 1.075 392 L CA 1.124 55.625 54.840 -0.565 0.000 0.767 392 L CB -0.889 40.931 42.059 -0.398 0.000 0.890 392 L HN 0.184 nan 8.230 nan 0.000 0.434 393 N N 0.080 118.419 118.700 -0.601 0.000 2.182 393 N HA -0.241 4.500 4.740 0.001 0.000 0.192 393 N C 1.777 177.137 175.510 -0.250 0.000 1.007 393 N CA 1.597 54.449 53.050 -0.331 0.000 0.873 393 N CB -0.343 38.096 38.487 -0.081 0.000 0.998 393 N HN 0.210 nan 8.380 nan 0.000 0.436 394 L N 0.878 121.953 121.223 -0.246 0.000 2.023 394 L HA -0.017 4.324 4.340 0.001 0.000 0.205 394 L C 2.157 178.899 176.870 -0.213 0.000 1.073 394 L CA 1.040 55.773 54.840 -0.179 0.000 0.745 394 L CB -0.981 40.991 42.059 -0.145 0.000 0.900 394 L HN 0.023 nan 8.230 nan 0.000 0.435 395 L N -0.877 120.199 121.223 -0.245 0.000 2.051 395 L HA -0.312 4.029 4.340 0.001 0.000 0.214 395 L C 2.280 179.153 176.870 0.006 0.000 1.076 395 L CA 2.003 56.763 54.840 -0.133 0.000 0.758 395 L CB -0.909 41.096 42.059 -0.090 0.000 0.890 395 L HN 0.423 nan 8.230 nan 0.000 0.433 396 Y N 0.102 120.401 120.300 -0.002 0.000 2.070 396 Y HA -0.285 4.265 4.550 0.001 0.000 0.279 396 Y C 2.619 178.508 175.900 -0.018 0.000 1.134 396 Y CA 1.037 59.145 58.100 0.014 0.000 1.113 396 Y CB -0.552 37.917 38.460 0.016 0.000 0.981 396 Y HN 0.380 nan 8.280 nan 0.000 0.487 397 E N 0.133 120.402 120.200 0.115 0.000 2.204 397 E HA -0.191 4.160 4.350 0.001 0.000 0.195 397 E C 2.023 178.578 176.600 -0.075 0.000 0.990 397 E CA 0.883 57.297 56.400 0.024 0.000 0.821 397 E CB -0.334 29.364 29.700 -0.003 0.000 0.750 397 E HN 0.314 nan 8.360 nan 0.000 0.477 398 L N 1.195 122.286 121.223 -0.220 0.000 2.191 398 L HA -0.081 4.260 4.340 0.001 0.000 0.212 398 L C 1.385 177.977 176.870 -0.463 0.000 1.103 398 L CA 0.992 55.479 54.840 -0.587 0.000 0.769 398 L CB -0.810 40.588 42.059 -1.102 0.000 0.908 398 L HN 0.397 nan 8.230 nan 0.000 0.438 399 C N 1.150 120.438 119.300 -0.021 0.000 2.327 399 C HA 0.223 4.683 4.460 0.001 0.000 0.401 399 C C 1.548 176.655 174.990 0.195 0.000 1.297 399 C CA -0.570 58.636 59.018 0.314 0.000 1.628 399 C CB -2.137 25.787 27.740 0.307 0.000 1.787 399 C HN 0.442 nan 8.230 nan 0.000 0.590 400 A N 1.437 124.328 122.820 0.118 0.000 2.898 400 A HA 0.223 4.543 4.320 0.001 0.000 0.288 400 A C 1.257 178.915 177.584 0.124 0.000 1.771 400 A CA 0.922 53.013 52.037 0.090 0.000 1.383 400 A CB -0.366 18.664 19.000 0.051 0.000 1.028 400 A HN 0.835 nan 8.150 nan 0.000 0.595 401 K N -0.492 119.982 120.400 0.125 0.000 2.159 401 K HA 0.240 4.560 4.320 0.001 0.000 0.154 401 K C 0.035 176.698 176.600 0.106 0.000 2.479 401 K CA 0.600 56.957 56.287 0.117 0.000 1.260 401 K CB -0.377 32.209 32.500 0.144 0.000 2.751 401 K HN 0.891 nan 8.250 nan 0.000 0.414 402 A N 0.800 123.693 122.820 0.122 0.000 2.454 402 A HA 0.699 5.020 4.320 0.001 0.000 0.302 402 A C -0.326 177.314 177.584 0.094 0.000 1.079 402 A CA -0.205 51.894 52.037 0.102 0.000 0.731 402 A CB 1.498 20.562 19.000 0.107 0.000 1.299 402 A HN 0.279 nan 8.150 nan 0.000 0.413 403 G N 0.443 109.284 108.800 0.068 0.000 2.202 403 G HA2 0.558 4.519 3.960 0.001 0.000 0.251 403 G HA3 0.558 4.519 3.960 0.001 0.000 0.251 403 G C 0.327 175.255 174.900 0.048 0.000 1.219 403 G CA 0.716 45.844 45.100 0.046 0.000 0.943 403 G HN 1.467 nan 8.290 nan 0.000 0.465 404 A N 2.869 125.708 122.820 0.032 0.000 2.281 404 A HA 0.951 5.271 4.320 0.001 0.000 0.329 404 A C 0.141 177.677 177.584 -0.079 0.000 1.122 404 A CA -0.515 51.538 52.037 0.026 0.000 0.850 404 A CB 1.028 20.082 19.000 0.090 0.000 1.207 404 A HN 1.092 nan 8.150 nan 0.000 0.495 405 E N -0.281 119.869 120.200 -0.084 0.000 2.935 405 E HA 0.263 4.614 4.350 0.001 0.000 0.321 405 E C -1.852 174.726 176.600 -0.037 0.000 1.070 405 E CA -0.718 55.600 56.400 -0.137 0.000 0.882 405 E CB 0.469 30.121 29.700 -0.081 0.000 1.224 405 E HN 0.765 nan 8.360 nan 0.000 0.445 406 V N 1.784 121.674 119.914 -0.041 0.000 2.649 406 V HA 0.710 4.830 4.120 0.001 0.000 0.292 406 V C -0.291 175.840 176.094 0.063 0.000 1.055 406 V CA 0.423 62.776 62.300 0.088 0.000 1.023 406 V CB 1.002 32.926 31.823 0.168 0.000 0.992 406 V HN 0.830 nan 8.190 nan 0.000 0.480 407 A N 6.277 129.149 122.820 0.088 0.000 2.331 407 A HA 0.722 5.042 4.320 0.001 0.000 0.320 407 A C -0.242 177.410 177.584 0.113 0.000 1.138 407 A CA -0.555 51.530 52.037 0.080 0.000 0.790 407 A CB 1.219 20.263 19.000 0.074 0.000 1.206 407 A HN 0.944 nan 8.150 nan 0.000 0.470 408 L N 2.182 123.468 121.223 0.105 0.000 3.017 408 L HA 0.176 4.516 4.340 0.001 0.000 0.255 408 L C 0.955 177.910 176.870 0.142 0.000 1.247 408 L CA 0.042 54.963 54.840 0.135 0.000 1.038 408 L CB 0.270 42.386 42.059 0.095 0.000 1.380 408 L HN 0.730 nan 8.230 nan 0.000 0.548 413 A N 0.934 123.804 122.820 0.085 0.000 1.871 413 A HA 0.159 4.480 4.320 0.001 0.000 0.211 413 A C 1.517 179.129 177.584 0.046 0.000 1.207 413 A CA 1.431 53.442 52.037 -0.043 0.000 0.620 413 A CB -0.344 18.708 19.000 0.086 0.000 0.860 413 A HN 0.168 nan 8.150 nan 0.000 0.450 414 K N 0.056 120.457 120.400 0.000 0.000 2.437 414 K HA 0.332 4.653 4.320 0.001 0.000 0.198 414 K C 1.054 177.581 176.600 -0.121 0.000 1.024 414 K CA 0.275 56.495 56.287 -0.112 0.000 1.148 414 K CB -0.027 32.439 32.500 -0.058 0.000 0.860 414 K HN 0.575 nan 8.250 nan 0.000 0.515 415 G N 1.257 110.043 108.800 -0.023 0.000 2.581 415 G HA2 -0.413 3.547 3.960 0.001 0.000 0.291 415 G HA3 -0.413 3.547 3.960 0.001 0.000 0.291 415 G C 1.017 175.913 174.900 -0.006 0.000 1.277 415 G CA -0.024 45.084 45.100 0.013 0.000 0.959 415 G HN 0.330 nan 8.290 nan 0.000 0.554 416 G N -0.516 108.273 108.800 -0.018 0.000 2.556 416 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 416 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 416 G C 1.501 176.385 174.900 -0.027 0.000 1.156 416 G CA 1.987 47.074 45.100 -0.020 0.000 0.766 416 G HN 1.107 nan 8.290 nan 0.000 0.583 417 E N 0.099 120.272 120.200 -0.045 0.000 2.048 417 E HA -0.142 4.208 4.350 0.001 0.000 0.202 417 E C 2.623 179.208 176.600 -0.024 0.000 1.021 417 E CA 1.293 57.667 56.400 -0.043 0.000 0.825 417 E CB -0.721 28.942 29.700 -0.062 0.000 0.756 417 E HN 0.331 nan 8.360 nan 0.000 0.454 418 G N -0.757 108.035 108.800 -0.013 0.000 2.586 418 G HA2 -0.152 3.808 3.960 0.001 0.000 0.215 418 G HA3 -0.152 3.808 3.960 0.001 0.000 0.215 418 G C 1.108 176.021 174.900 0.021 0.000 1.128 418 G CA 0.619 45.728 45.100 0.014 0.000 0.774 418 G HN 0.395 nan 8.290 nan 0.000 0.543 419 G N -0.226 108.579 108.800 0.009 0.000 3.277 419 G HA2 0.217 4.178 3.960 0.001 0.000 0.243 419 G HA3 0.217 4.178 3.960 0.001 0.000 0.243 419 G C 1.343 176.235 174.900 -0.014 0.000 1.107 419 G CA -0.234 44.869 45.100 0.005 0.000 0.771 419 G HN 0.211 nan 8.290 nan 0.000 0.544 420 L N 0.843 122.054 121.223 -0.020 0.000 2.012 420 L HA -0.069 4.271 4.340 0.001 0.000 0.210 420 L C 2.527 179.377 176.870 -0.033 0.000 1.073 420 L CA 1.841 56.663 54.840 -0.031 0.000 0.748 420 L CB -0.867 41.174 42.059 -0.030 0.000 0.891 420 L HN 0.419 nan 8.230 nan 0.000 0.431 421 E N -0.188 119.995 120.200 -0.028 0.000 2.021 421 E HA -0.295 4.056 4.350 0.001 0.000 0.200 421 E C 2.239 178.818 176.600 -0.036 0.000 1.015 421 E CA 1.686 58.064 56.400 -0.035 0.000 0.824 421 E CB -0.155 29.520 29.700 -0.041 0.000 0.762 421 E HN 0.228 nan 8.360 nan 0.000 0.454 422 L N 1.155 122.361 121.223 -0.028 0.000 2.010 422 L HA -0.273 4.067 4.340 0.001 0.000 0.219 422 L C 2.303 179.152 176.870 -0.035 0.000 1.077 422 L CA 2.726 57.552 54.840 -0.024 0.000 0.773 422 L CB -1.071 40.981 42.059 -0.011 0.000 0.892 422 L HN 0.231 nan 8.230 nan 0.000 0.436 423 A N -0.427 122.364 122.820 -0.048 0.000 1.884 423 A HA -0.278 4.043 4.320 0.001 0.000 0.219 423 A C 2.342 179.882 177.584 -0.073 0.000 1.197 423 A CA 2.171 54.162 52.037 -0.076 0.000 0.637 423 A CB -0.711 18.234 19.000 -0.092 0.000 0.827 423 A HN 0.568 nan 8.150 nan 0.000 0.450 424 R N -0.860 119.606 120.500 -0.057 0.000 2.159 424 R HA -0.137 4.204 4.340 0.001 0.000 0.237 424 R C 1.996 178.277 176.300 -0.032 0.000 1.131 424 R CA 1.693 57.765 56.100 -0.045 0.000 0.982 424 R CB -0.256 30.021 30.300 -0.038 0.000 0.868 424 R HN 0.471 nan 8.270 nan 0.000 0.453 425 K N -0.085 120.298 120.400 -0.029 0.000 2.099 425 K HA 0.012 4.333 4.320 0.001 0.000 0.203 425 K C 2.043 178.640 176.600 -0.005 0.000 1.047 425 K CA 0.480 56.758 56.287 -0.014 0.000 0.963 425 K CB -0.114 32.378 32.500 -0.013 0.000 0.759 425 K HN -0.138 nan 8.250 nan 0.000 0.451 426 V N 1.500 121.406 119.914 -0.013 0.000 2.282 426 V HA -0.298 3.822 4.120 0.001 0.000 0.249 426 V C 2.176 178.271 176.094 0.001 0.000 1.057 426 V CA 1.828 64.126 62.300 -0.004 0.000 1.032 426 V CB -0.524 31.285 31.823 -0.024 0.000 0.645 426 V HN 0.214 nan 8.190 nan 0.000 0.447 427 L N -0.561 120.642 121.223 -0.034 0.000 1.989 427 L HA -0.255 4.085 4.340 0.001 0.000 0.211 427 L C 2.713 179.593 176.870 0.016 0.000 1.071 427 L CA 2.170 56.994 54.840 -0.028 0.000 0.749 427 L CB -0.678 41.336 42.059 -0.074 0.000 0.890 427 L HN 0.369 nan 8.230 nan 0.000 0.431 428 Q N -0.441 119.362 119.800 0.005 0.000 2.077 428 Q HA -0.263 4.077 4.340 0.001 0.000 0.206 428 Q C 2.104 178.121 176.000 0.029 0.000 0.989 428 Q CA 2.526 58.338 55.803 0.015 0.000 0.853 428 Q CB -0.100 28.642 28.738 0.006 0.000 0.907 428 Q HN 0.639 nan 8.270 nan 0.000 0.418 429 T N -1.844 112.729 114.554 0.032 0.000 3.067 429 T HA -0.030 4.320 4.350 0.001 0.000 0.261 429 T C 1.514 176.247 174.700 0.055 0.000 1.110 429 T CA 0.205 62.331 62.100 0.043 0.000 1.113 429 T CB 0.039 68.934 68.868 0.045 0.000 0.917 429 T HN 0.156 nan 8.240 nan 0.000 0.499 430 L N 0.675 121.937 121.223 0.064 0.000 2.610 430 L HA 0.394 4.734 4.340 0.001 0.000 0.232 430 L C 2.107 179.027 176.870 0.083 0.000 1.149 430 L CA 1.039 55.933 54.840 0.090 0.000 0.872 430 L CB -0.420 41.722 42.059 0.139 0.000 0.992 430 L HN 0.420 nan 8.230 nan 0.000 0.447 431 E N -2.086 118.153 120.200 0.065 0.000 2.378 431 E HA -0.032 4.318 4.350 0.001 0.000 0.200 431 E C 2.030 178.657 176.600 0.045 0.000 0.882 431 E CA 0.743 57.177 56.400 0.056 0.000 1.061 431 E CB 0.269 30.000 29.700 0.052 0.000 1.049 431 E HN 0.400 nan 8.360 nan 0.000 0.494 432 S N 0.231 115.955 115.700 0.041 0.000 2.461 432 S HA 0.090 4.560 4.470 0.001 0.000 0.228 432 S C 0.926 175.550 174.600 0.039 0.000 1.005 432 S CA 0.061 58.283 58.200 0.036 0.000 0.942 432 S CB -0.059 63.160 63.200 0.032 0.000 0.776 432 S HN 0.057 nan 8.310 nan 0.000 0.514 433 R N 2.556 123.083 120.500 0.045 0.000 2.363 433 R HA 0.404 4.744 4.340 0.001 0.000 0.297 433 R C -2.999 173.332 176.300 0.052 0.000 1.208 433 R CA -1.767 54.362 56.100 0.048 0.000 1.121 433 R CB 1.239 31.570 30.300 0.051 0.000 1.124 433 R HN 0.332 nan 8.270 nan 0.000 0.561 434 P HA 0.019 nan 4.420 nan 0.000 0.275 434 P C -0.337 176.996 177.300 0.055 0.000 1.227 434 P CA -0.255 62.876 63.100 0.051 0.000 0.781 434 P CB 1.351 33.078 31.700 0.045 0.000 0.906 435 S N 1.448 117.185 115.700 0.061 0.000 2.545 435 S HA 0.195 4.665 4.470 0.001 0.000 0.275 435 S C 0.265 174.903 174.600 0.062 0.000 1.299 435 S CA -0.657 57.582 58.200 0.065 0.000 1.048 435 S CB 0.087 63.338 63.200 0.085 0.000 0.938 435 S HN 0.459 nan 8.310 nan 0.000 0.496 436 N N 2.125 120.844 118.700 0.031 0.000 3.112 436 N HA 0.265 5.005 4.740 0.001 0.000 0.270 436 N C -1.056 174.336 175.510 -0.197 0.000 1.385 436 N CA -0.873 52.184 53.050 0.012 0.000 0.986 436 N CB -0.291 38.230 38.487 0.056 0.000 1.261 436 N HN 0.657 nan 8.380 nan 0.000 0.495 437 F N 2.697 122.495 119.950 -0.253 0.000 2.450 437 F HA 0.327 4.855 4.527 0.000 0.000 0.339 437 F C -0.289 175.298 175.800 -0.355 0.000 1.146 437 F CA 0.333 58.111 58.000 -0.370 0.000 1.267 437 F CB 0.427 39.339 39.000 -0.146 0.000 1.178 437 F HN 0.552 nan 8.300 nan 0.000 0.585 438 H N 2.605 120.999 119.070 -1.128 0.000 3.141 438 H HA 0.387 4.943 4.556 0.001 0.000 0.309 438 H C -1.035 173.862 175.328 -0.719 0.000 1.083 438 H CA -1.317 54.282 56.048 -0.748 0.000 1.466 438 H CB -0.788 28.788 29.762 -0.310 0.000 2.095 438 H HN 0.606 nan 8.280 nan 0.000 0.467 439 V N 0.974 120.672 119.914 -0.359 0.000 2.975 439 V HA -0.112 4.008 4.120 0.001 0.000 0.300 439 V C 1.340 177.329 176.094 -0.175 0.000 1.186 439 V CA 0.000 62.195 62.300 -0.175 0.000 1.311 439 V CB 0.300 31.993 31.823 -0.216 0.000 0.917 439 V HN 0.850 nan 8.190 nan 0.000 0.512 440 L N 4.153 125.313 121.223 -0.105 0.000 2.141 440 L HA 0.182 4.522 4.340 0.001 0.000 0.209 440 L C 0.678 177.503 176.870 -0.074 0.000 1.094 440 L CA 1.491 56.191 54.840 -0.232 0.000 0.763 440 L CB -0.779 41.236 42.059 -0.074 0.000 0.908 440 L HN 0.981 nan 8.230 nan 0.000 0.437 441 Y N -2.998 117.298 120.300 -0.007 0.000 2.790 441 Y HA 0.537 5.087 4.550 0.000 0.000 0.323 441 Y C -0.319 175.587 175.900 0.011 0.000 1.230 441 Y CA -1.944 56.151 58.100 -0.010 0.000 1.121 441 Y CB 0.122 38.590 38.460 0.013 0.000 1.328 441 Y HN -0.110 nan 8.280 nan 0.000 0.514 442 N N 0.423 119.299 118.700 0.293 0.000 2.370 442 N HA 0.223 4.964 4.740 0.001 0.000 0.303 442 N C -0.261 175.427 175.510 0.297 0.000 1.103 442 N CA -0.462 52.696 53.050 0.179 0.000 0.848 442 N CB 1.938 40.482 38.487 0.095 0.000 1.235 442 N HN 0.749 nan 8.380 nan 0.000 0.496 443 L N 1.755 123.098 121.223 0.199 0.000 2.376 443 L HA 0.086 4.426 4.340 0.001 0.000 0.219 443 L C 0.579 177.522 176.870 0.121 0.000 1.133 443 L CA 1.170 56.126 54.840 0.194 0.000 0.816 443 L CB -0.655 41.490 42.059 0.144 0.000 0.933 443 L HN 0.541 nan 8.230 nan 0.000 0.449 444 D N -0.457 119.997 120.400 0.090 0.000 2.706 444 D HA 0.249 4.889 4.640 0.001 0.000 0.236 444 D C 0.159 176.489 176.300 0.050 0.000 1.231 444 D CA 0.188 54.222 54.000 0.056 0.000 0.828 444 D CB 0.174 40.996 40.800 0.037 0.000 1.015 444 D HN 0.066 nan 8.370 nan 0.000 0.484 445 L N -0.383 120.877 121.223 0.062 0.000 2.303 445 L HA 0.387 4.728 4.340 0.001 0.000 0.266 445 L C 0.605 177.488 176.870 0.022 0.000 1.011 445 L CA -0.916 53.948 54.840 0.040 0.000 0.818 445 L CB 1.929 44.019 42.059 0.050 0.000 1.326 445 L HN -0.066 nan 8.230 nan 0.000 0.435 446 S N 0.331 116.035 115.700 0.007 0.000 2.576 446 S HA 0.119 4.589 4.470 0.001 0.000 0.272 446 S C 1.216 175.809 174.600 -0.013 0.000 1.352 446 S CA -0.193 58.005 58.200 -0.002 0.000 1.021 446 S CB 0.425 63.618 63.200 -0.011 0.000 0.887 446 S HN 0.473 nan 8.310 nan 0.000 0.542 447 I N 2.813 123.378 120.570 -0.009 0.000 2.233 447 I HA -0.110 4.060 4.170 0.001 0.000 0.243 447 I C 2.365 178.472 176.117 -0.017 0.000 1.093 447 I CA 1.156 62.450 61.300 -0.010 0.000 1.380 447 I CB -0.344 37.669 38.000 0.022 0.000 1.067 447 I HN 0.706 nan 8.210 nan 0.000 0.413 448 K N 0.393 120.774 120.400 -0.031 0.000 2.283 448 K HA -0.158 4.163 4.320 0.001 0.000 0.202 448 K C 1.501 178.125 176.600 0.039 0.000 1.048 448 K CA 1.004 57.298 56.287 0.012 0.000 0.948 448 K CB -0.067 32.371 32.500 -0.104 0.000 0.742 448 K HN 0.230 nan 8.250 nan 0.000 0.458 449 D N 1.084 121.480 120.400 -0.007 0.000 2.091 449 D HA -0.088 4.552 4.640 0.001 0.000 0.199 449 D C 1.635 177.903 176.300 -0.054 0.000 0.980 449 D CA 1.235 55.225 54.000 -0.016 0.000 0.831 449 D CB 0.137 40.928 40.800 -0.015 0.000 0.987 449 D HN 0.037 nan 8.370 nan 0.000 0.460 450 K N 0.225 120.556 120.400 -0.115 0.000 2.020 450 K HA -0.118 4.202 4.320 0.001 0.000 0.212 450 K C 2.252 178.707 176.600 -0.242 0.000 1.050 450 K CA 0.961 57.068 56.287 -0.300 0.000 0.929 450 K CB -0.225 31.988 32.500 -0.478 0.000 0.714 450 K HN 0.155 nan 8.250 nan 0.000 0.443 451 I N 0.944 121.447 120.570 -0.112 0.000 2.194 451 I HA -0.341 3.829 4.170 0.001 0.000 0.246 451 I C 2.457 178.549 176.117 -0.041 0.000 1.093 451 I CA 1.368 62.651 61.300 -0.028 0.000 1.355 451 I CB -0.387 37.687 38.000 0.123 0.000 1.046 451 I HN 0.218 nan 8.210 nan 0.000 0.413 452 A N 0.478 123.287 122.820 -0.018 0.000 1.873 452 A HA -0.197 4.124 4.320 0.001 0.000 0.215 452 A C 2.334 179.872 177.584 -0.077 0.000 1.186 452 A CA 1.435 53.451 52.037 -0.035 0.000 0.616 452 A CB -0.467 18.529 19.000 -0.006 0.000 0.823 452 A HN 0.261 nan 8.150 nan 0.000 0.442 453 K N -0.526 119.834 120.400 -0.067 0.000 2.077 453 K HA -0.206 4.114 4.320 0.001 0.000 0.213 453 K C 1.865 178.415 176.600 -0.083 0.000 1.051 453 K CA 1.919 58.173 56.287 -0.055 0.000 0.929 453 K CB -0.472 32.025 32.500 -0.005 0.000 0.715 453 K HN 0.565 nan 8.250 nan 0.000 0.451 454 I N 0.435 120.933 120.570 -0.120 0.000 2.133 454 I HA -0.257 3.913 4.170 0.001 0.000 0.238 454 I C 2.466 178.275 176.117 -0.513 0.000 1.074 454 I CA 1.163 62.325 61.300 -0.231 0.000 1.342 454 I CB -0.360 37.514 38.000 -0.209 0.000 1.053 454 I HN 0.152 nan 8.210 nan 0.000 0.404 455 A N -0.517 122.017 122.820 -0.477 0.000 2.024 455 A HA -0.211 4.109 4.320 0.001 0.000 0.220 455 A C 2.343 179.826 177.584 -0.169 0.000 1.164 455 A CA 2.452 54.276 52.037 -0.355 0.000 0.643 455 A CB -0.873 18.093 19.000 -0.057 0.000 0.806 455 A HN 0.410 nan 8.150 nan 0.000 0.451 456 T N -1.185 113.274 114.554 -0.159 0.000 2.939 456 T HA 0.014 4.364 4.350 0.001 0.000 0.254 456 T C 1.749 176.385 174.700 -0.105 0.000 1.041 456 T CA 1.242 63.267 62.100 -0.125 0.000 1.142 456 T CB -0.018 68.788 68.868 -0.102 0.000 0.874 456 T HN 0.622 nan 8.240 nan 0.000 0.452 457 E N -0.100 120.041 120.200 -0.099 0.000 2.340 457 E HA 0.095 4.446 4.350 0.001 0.000 0.194 457 E C 1.499 178.085 176.600 -0.023 0.000 0.996 457 E CA 0.374 56.733 56.400 -0.069 0.000 0.869 457 E CB 0.339 29.995 29.700 -0.074 0.000 0.835 457 E HN 0.345 nan 8.360 nan 0.000 0.493 458 I N -0.362 120.200 120.570 -0.015 0.000 3.132 458 I HA -0.075 4.096 4.170 0.001 0.000 0.255 458 I C 1.685 178.019 176.117 0.361 0.000 1.118 458 I CA 0.752 62.154 61.300 0.170 0.000 1.463 458 I CB -1.064 37.063 38.000 0.211 0.000 1.356 458 I HN 0.063 nan 8.210 nan 0.000 0.463 459 Y N 2.080 122.529 120.300 0.248 0.000 2.616 459 Y HA 0.270 4.820 4.550 0.000 0.000 0.296 459 Y C 2.047 178.068 175.900 0.202 0.000 1.154 459 Y CA 0.000 58.328 58.100 0.380 0.000 1.325 459 Y CB -1.405 37.316 38.460 0.434 0.000 1.007 459 Y HN 0.421 nan 8.280 nan 0.000 0.542 460 G N 0.058 108.919 108.800 0.102 0.000 2.203 460 G HA2 -0.221 3.739 3.960 0.001 0.000 0.263 460 G HA3 -0.221 3.739 3.960 0.001 0.000 0.263 460 G C 0.503 175.280 174.900 -0.204 0.000 1.012 460 G CA 0.209 45.279 45.100 -0.050 0.000 0.749 460 G HN 0.701 nan 8.290 nan 0.000 0.512 461 A N -0.389 122.239 122.820 -0.319 0.000 2.371 461 A HA 0.562 4.883 4.320 0.001 0.000 0.257 461 A C 1.278 178.511 177.584 -0.585 0.000 1.089 461 A CA 0.585 52.001 52.037 -1.034 0.000 0.794 461 A CB 0.425 19.161 19.000 -0.440 0.000 1.029 461 A HN 0.253 nan 8.150 nan 0.000 0.488 462 D N 1.286 121.319 120.400 -0.613 0.000 2.077 462 D HA 0.048 4.689 4.640 0.001 0.000 0.193 462 D C 1.055 177.232 176.300 -0.206 0.000 0.989 462 D CA 2.183 55.999 54.000 -0.308 0.000 0.831 462 D CB 0.125 40.783 40.800 -0.236 0.000 0.979 462 D HN 0.702 nan 8.370 nan 0.000 0.449 463 G N -0.917 107.773 108.800 -0.183 0.000 2.870 463 G HA2 0.487 4.447 3.960 0.001 0.000 0.299 463 G HA3 0.487 4.447 3.960 0.001 0.000 0.299 463 G C -1.611 173.233 174.900 -0.093 0.000 1.324 463 G CA -0.410 44.626 45.100 -0.106 0.000 0.808 463 G HN 0.026 nan 8.290 nan 0.000 0.535 464 V N 0.442 120.310 119.914 -0.076 0.000 2.540 464 V HA 0.464 4.584 4.120 0.001 0.000 0.302 464 V C -0.510 175.457 176.094 -0.212 0.000 1.035 464 V CA -0.922 61.268 62.300 -0.184 0.000 0.873 464 V CB 1.570 33.232 31.823 -0.268 0.000 0.992 464 V HN 0.690 nan 8.190 nan 0.000 0.428 465 N N 2.666 121.196 118.700 -0.284 0.000 2.362 465 N HA 0.712 5.452 4.740 0.001 0.000 0.298 465 N C -1.801 173.545 175.510 -0.273 0.000 1.048 465 N CA -0.590 52.373 53.050 -0.145 0.000 0.858 465 N CB 1.915 40.370 38.487 -0.054 0.000 1.218 465 N HN 0.593 nan 8.380 nan 0.000 0.488 466 Y N -0.365 119.954 120.300 0.031 0.000 2.545 466 Y HA 0.346 4.896 4.550 0.001 0.000 0.348 466 Y C 0.701 176.616 175.900 0.025 0.000 1.002 466 Y CA -1.015 57.105 58.100 0.032 0.000 1.039 466 Y CB 1.670 40.147 38.460 0.030 0.000 1.271 466 Y HN 0.406 nan 8.280 nan 0.000 0.467 467 T N -1.891 112.778 114.554 0.192 0.000 2.874 467 T HA 0.542 4.892 4.350 0.001 0.000 0.281 467 T C 1.233 175.986 174.700 0.088 0.000 0.994 467 T CA -0.172 61.994 62.100 0.109 0.000 1.015 467 T CB 1.520 70.436 68.868 0.081 0.000 1.028 467 T HN 0.818 nan 8.240 nan 0.000 0.523 468 A N 0.619 123.470 122.820 0.052 0.000 1.917 468 A HA -0.120 4.200 4.320 0.001 0.000 0.219 468 A C 2.257 179.849 177.584 0.014 0.000 1.182 468 A CA 1.856 53.908 52.037 0.026 0.000 0.633 468 A CB -1.059 17.951 19.000 0.016 0.000 0.819 468 A HN 0.980 nan 8.150 nan 0.000 0.448 469 E N -0.430 119.783 120.200 0.022 0.000 2.031 469 E HA -0.130 4.220 4.350 0.001 0.000 0.193 469 E C 2.410 179.020 176.600 0.017 0.000 0.994 469 E CA 0.934 57.340 56.400 0.010 0.000 0.800 469 E CB -0.354 29.360 29.700 0.023 0.000 0.752 469 E HN 0.611 nan 8.360 nan 0.000 0.447 470 A N 1.896 124.754 122.820 0.064 0.000 1.958 470 A HA -0.278 4.043 4.320 0.001 0.000 0.221 470 A C 1.703 179.303 177.584 0.027 0.000 1.178 470 A CA 2.125 54.225 52.037 0.105 0.000 0.642 470 A CB -0.474 18.662 19.000 0.226 0.000 0.816 470 A HN 0.149 nan 8.150 nan 0.000 0.453 471 D N -0.410 119.986 120.400 -0.007 0.000 2.084 471 D HA -0.084 4.556 4.640 0.001 0.000 0.199 471 D C 1.961 178.212 176.300 -0.082 0.000 0.981 471 D CA 1.440 55.396 54.000 -0.073 0.000 0.841 471 D CB -0.488 40.279 40.800 -0.056 0.000 0.997 471 D HN 0.461 nan 8.370 nan 0.000 0.454 472 K N 1.048 121.404 120.400 -0.074 0.000 2.077 472 K HA -0.213 4.107 4.320 0.001 0.000 0.213 472 K C 2.150 178.648 176.600 -0.169 0.000 1.051 472 K CA 1.579 57.803 56.287 -0.104 0.000 0.929 472 K CB -0.273 32.169 32.500 -0.096 0.000 0.715 472 K HN 0.061 nan 8.250 nan 0.000 0.451 473 A N 1.730 124.448 122.820 -0.170 0.000 1.849 473 A HA -0.229 4.091 4.320 0.001 0.000 0.217 473 A C 2.203 179.588 177.584 -0.331 0.000 1.202 473 A CA 1.767 53.624 52.037 -0.299 0.000 0.629 473 A CB -0.846 18.091 19.000 -0.106 0.000 0.834 473 A HN 0.223 nan 8.150 nan 0.000 0.447 474 I N -0.779 119.745 120.570 -0.077 0.000 2.069 474 I HA -0.386 3.784 4.170 0.001 0.000 0.237 474 I C 2.901 179.005 176.117 -0.022 0.000 1.053 474 I CA 2.223 63.541 61.300 0.032 0.000 1.311 474 I CB -0.588 37.394 38.000 -0.031 0.000 1.030 474 I HN 0.603 nan 8.210 nan 0.000 0.398 475 Q N 0.857 120.612 119.800 -0.074 0.000 2.156 475 Q HA -0.286 4.054 4.340 0.001 0.000 0.211 475 Q C 2.318 178.281 176.000 -0.062 0.000 0.995 475 Q CA 1.968 57.735 55.803 -0.060 0.000 0.877 475 Q CB -0.021 28.673 28.738 -0.072 0.000 0.920 475 Q HN 0.411 nan 8.270 nan 0.000 0.416 476 R N -0.847 119.557 120.500 -0.160 0.000 2.096 476 R HA -0.183 4.158 4.340 0.001 0.000 0.229 476 R C 2.291 178.584 176.300 -0.012 0.000 1.134 476 R CA 1.870 57.866 56.100 -0.173 0.000 0.917 476 R CB -0.770 29.293 30.300 -0.394 0.000 0.832 476 R HN 0.357 nan 8.270 nan 0.000 0.430 477 Y N 1.601 121.959 120.300 0.097 0.000 2.062 477 Y HA -0.278 4.272 4.550 0.000 0.000 0.276 477 Y C 2.339 178.357 175.900 0.196 0.000 1.189 477 Y CA 1.331 59.547 58.100 0.194 0.000 1.130 477 Y CB -0.863 37.681 38.460 0.140 0.000 0.959 477 Y HN 0.231 nan 8.280 nan 0.000 0.499 478 E N -0.421 119.934 120.200 0.257 0.000 2.058 478 E HA -0.223 4.128 4.350 0.001 0.000 0.194 478 E C 2.356 179.018 176.600 0.103 0.000 0.997 478 E CA 1.893 58.382 56.400 0.149 0.000 0.801 478 E CB -0.389 29.360 29.700 0.082 0.000 0.746 478 E HN 0.538 nan 8.360 nan 0.000 0.450 479 S N 0.533 116.284 115.700 0.085 0.000 2.461 479 S HA -0.052 4.419 4.470 0.001 0.000 0.228 479 S C 1.758 176.403 174.600 0.076 0.000 1.005 479 S CA 0.240 58.473 58.200 0.055 0.000 0.942 479 S CB 0.080 63.299 63.200 0.033 0.000 0.776 479 S HN 0.080 nan 8.310 nan 0.000 0.514 480 L N 1.916 123.230 121.223 0.153 0.000 2.599 480 L HA 0.401 4.742 4.340 0.001 0.000 0.230 480 L C 1.579 178.499 176.870 0.084 0.000 1.141 480 L CA 0.691 55.657 54.840 0.210 0.000 0.877 480 L CB -0.950 41.350 42.059 0.402 0.000 1.009 480 L HN 0.641 nan 8.230 nan 0.000 0.447 481 G N -1.256 107.552 108.800 0.012 0.000 2.136 481 G HA2 -0.357 3.604 3.960 0.001 0.000 0.242 481 G HA3 -0.357 3.604 3.960 0.001 0.000 0.242 481 G C 0.329 175.036 174.900 -0.322 0.000 0.989 481 G CA 0.436 45.429 45.100 -0.177 0.000 0.682 481 G HN 0.432 nan 8.290 nan 0.000 0.522 482 Y N 0.022 120.375 120.300 0.088 0.000 2.636 482 Y HA 0.415 4.965 4.550 0.000 0.000 0.260 482 Y C 2.320 178.253 175.900 0.054 0.000 1.177 482 Y CA 0.246 58.378 58.100 0.055 0.000 1.209 482 Y CB 0.448 38.920 38.460 0.020 0.000 1.166 482 Y HN 0.200 nan 8.280 nan 0.000 0.531 483 G N 0.552 109.447 108.800 0.159 0.000 2.408 483 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 483 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 483 G C 1.337 176.289 174.900 0.087 0.000 1.150 483 G CA 0.617 45.787 45.100 0.117 0.000 0.776 483 G HN 0.272 nan 8.290 nan 0.000 0.542 484 N N 0.628 119.370 118.700 0.070 0.000 2.421 484 N HA 0.131 4.872 4.740 0.001 0.000 0.201 484 N C 0.373 175.943 175.510 0.098 0.000 1.198 484 N CA 0.121 53.212 53.050 0.069 0.000 0.838 484 N CB 0.390 38.901 38.487 0.039 0.000 1.011 484 N HN 0.294 nan 8.380 nan 0.000 0.463 485 L N 0.876 122.171 121.223 0.120 0.000 2.416 485 L HA 0.390 4.731 4.340 0.001 0.000 0.262 485 L C -2.030 174.948 176.870 0.179 0.000 1.093 485 L CA -1.780 53.148 54.840 0.147 0.000 0.801 485 L CB 0.817 42.970 42.059 0.156 0.000 1.191 485 L HN -0.246 nan 8.230 nan 0.000 0.459 486 P HA 0.114 nan 4.420 nan 0.000 0.274 486 P C -1.060 176.357 177.300 0.195 0.000 1.237 486 P CA -0.227 63.059 63.100 0.310 0.000 0.793 486 P CB 0.904 32.782 31.700 0.296 0.000 0.977 487 V N 2.474 122.490 119.914 0.170 0.000 2.630 487 V HA 0.375 4.495 4.120 0.001 0.000 0.305 487 V C -0.053 176.127 176.094 0.144 0.000 1.046 487 V CA -0.490 61.853 62.300 0.072 0.000 0.934 487 V CB 2.083 33.861 31.823 -0.076 0.000 1.003 487 V HN 0.177 nan 8.190 nan 0.000 0.451 488 V N 4.853 124.846 119.914 0.131 0.000 2.380 488 V HA 0.332 4.452 4.120 0.001 0.000 0.272 488 V C 0.016 176.211 176.094 0.169 0.000 1.011 488 V CA -0.554 61.843 62.300 0.161 0.000 0.826 488 V CB 1.239 33.148 31.823 0.143 0.000 1.040 488 V HN 0.755 nan 8.190 nan 0.000 0.441 489 M N 3.194 122.918 119.600 0.207 0.000 2.248 489 M HA 0.331 4.811 4.480 0.001 0.000 0.345 489 M C 0.529 176.941 176.300 0.187 0.000 1.243 489 M CA 0.412 55.844 55.300 0.220 0.000 1.090 489 M CB 0.919 33.723 32.600 0.339 0.000 1.683 489 M HN 0.678 nan 8.290 nan 0.000 0.450 490 A N 5.293 128.203 122.820 0.150 0.000 2.938 490 A HA 0.418 4.738 4.320 0.001 0.000 0.344 490 A C 0.155 177.778 177.584 0.064 0.000 1.142 490 A CA -0.764 51.348 52.037 0.126 0.000 0.841 490 A CB 0.103 19.183 19.000 0.134 0.000 1.083 490 A HN 0.826 nan 8.150 nan 0.000 0.479 491 K N -0.483 119.915 120.400 -0.002 0.000 2.393 491 K HA 0.698 5.018 4.320 0.001 0.000 0.241 491 K C 0.048 176.531 176.600 -0.194 0.000 1.055 491 K CA -0.647 55.586 56.287 -0.090 0.000 0.951 491 K CB 0.577 32.983 32.500 -0.157 0.000 1.285 491 K HN 0.079 nan 8.250 nan 0.000 0.500 492 T N 0.679 115.107 114.554 -0.210 0.000 2.901 492 T HA -0.029 4.322 4.350 0.001 0.000 0.301 492 T C 0.915 175.336 174.700 -0.466 0.000 1.012 492 T CA -0.451 61.492 62.100 -0.262 0.000 1.135 492 T CB 0.652 69.445 68.868 -0.124 0.000 0.936 492 T HN 0.702 nan 8.240 nan 0.000 0.539 493 Q N 4.097 123.413 119.800 -0.806 0.000 2.424 493 Q HA -0.025 4.315 4.340 0.001 0.000 0.204 493 Q C 0.506 176.043 176.000 -0.771 0.000 0.933 493 Q CA 1.022 56.207 55.803 -1.029 0.000 0.929 493 Q CB -0.268 27.308 28.738 -1.937 0.000 1.037 493 Q HN 0.939 nan 8.270 nan 0.000 0.511 494 Y N 1.139 121.225 120.300 -0.357 0.000 2.477 494 Y HA 0.301 4.851 4.550 0.001 0.000 0.303 494 Y C 0.736 176.528 175.900 -0.180 0.000 1.202 494 Y CA 0.119 58.078 58.100 -0.235 0.000 1.282 494 Y CB 0.491 38.832 38.460 -0.197 0.000 1.071 494 Y HN 0.072 nan 8.280 nan 0.000 0.510 495 S N -1.928 113.681 115.700 -0.152 0.000 2.567 495 S HA 0.281 4.752 4.470 0.001 0.000 0.270 495 S C -0.371 174.077 174.600 -0.253 0.000 1.152 495 S CA -0.698 57.417 58.200 -0.141 0.000 0.835 495 S CB 0.064 63.193 63.200 -0.118 0.000 1.115 495 S HN 0.045 nan 8.310 nan 0.000 0.459 496 F N 2.501 122.316 119.950 -0.225 0.000 2.748 496 F HA 0.244 4.771 4.527 0.000 0.000 0.299 496 F C 1.494 177.095 175.800 -0.332 0.000 1.154 496 F CA 0.868 58.734 58.000 -0.223 0.000 1.446 496 F CB 0.256 39.196 39.000 -0.100 0.000 1.112 496 F HN 0.575 nan 8.300 nan 0.000 0.584 497 S N -1.318 114.195 115.700 -0.312 0.000 2.607 497 S HA 0.259 4.729 4.470 0.001 0.000 0.303 497 S C 0.189 174.656 174.600 -0.221 0.000 1.086 497 S CA -0.541 57.411 58.200 -0.413 0.000 0.995 497 S CB 1.436 64.100 63.200 -0.894 0.000 1.084 497 S HN 0.231 nan 8.310 nan 0.000 0.507 498 D N -0.517 119.824 120.400 -0.100 0.000 2.368 498 D HA 0.012 4.652 4.640 0.001 0.000 0.250 498 D C -0.169 176.085 176.300 -0.076 0.000 1.142 498 D CA 0.083 54.037 54.000 -0.076 0.000 0.925 498 D CB -0.161 40.633 40.800 -0.009 0.000 0.896 498 D HN 0.460 nan 8.370 nan 0.000 0.525 499 D N 1.151 121.485 120.400 -0.110 0.000 2.472 499 D HA 0.064 4.705 4.640 0.001 0.000 0.234 499 D C 1.476 177.723 176.300 -0.087 0.000 1.088 499 D CA -0.629 53.319 54.000 -0.087 0.000 0.882 499 D CB 0.802 41.548 40.800 -0.091 0.000 1.037 499 D HN 0.247 nan 8.370 nan 0.000 0.520 500 M N 1.698 121.262 119.600 -0.060 0.000 2.521 500 M HA -0.132 4.348 4.480 0.001 0.000 0.260 500 M C 1.231 177.494 176.300 -0.062 0.000 1.068 500 M CA 1.719 56.998 55.300 -0.035 0.000 1.060 500 M CB -0.617 31.973 32.600 -0.016 0.000 1.398 500 M HN 0.210 nan 8.290 nan 0.000 0.473 501 T N -2.284 112.227 114.554 -0.070 0.000 3.051 501 T HA 0.130 4.481 4.350 0.001 0.000 0.255 501 T C 0.808 175.471 174.700 -0.061 0.000 1.085 501 T CA -0.050 62.006 62.100 -0.073 0.000 1.109 501 T CB -0.176 68.654 68.868 -0.064 0.000 0.921 501 T HN 0.484 nan 8.240 nan 0.000 0.488 502 K N 2.124 122.484 120.400 -0.067 0.000 2.111 502 K HA 0.298 4.619 4.320 0.001 0.000 0.249 502 K C -0.626 175.962 176.600 -0.020 0.000 1.157 502 K CA -0.480 55.769 56.287 -0.064 0.000 1.048 502 K CB 0.103 32.527 32.500 -0.127 0.000 1.498 502 K HN 0.155 nan 8.250 nan 0.000 0.344 503 L N 0.923 122.162 121.223 0.026 0.000 2.540 503 L HA 0.246 4.586 4.340 0.001 0.000 0.215 503 L C 1.584 178.601 176.870 0.245 0.000 1.204 503 L CA 1.019 55.951 54.840 0.154 0.000 0.841 503 L CB -0.450 41.633 42.059 0.041 0.000 1.420 503 L HN 0.838 nan 8.230 nan 0.000 0.519 504 G N 0.117 109.260 108.800 0.570 0.000 2.591 504 G HA2 -0.358 3.602 3.960 0.001 0.000 0.278 504 G HA3 -0.358 3.602 3.960 0.001 0.000 0.278 504 G C 0.140 175.084 174.900 0.073 0.000 1.293 504 G CA 0.493 45.703 45.100 0.183 0.000 0.930 504 G HN 0.760 nan 8.290 nan 0.000 0.562 505 R N 1.850 122.371 120.500 0.035 0.000 2.825 505 R HA 0.394 4.734 4.340 0.001 0.000 0.261 505 R C -1.854 174.454 176.300 0.012 0.000 1.341 505 R CA -1.228 54.874 56.100 0.004 0.000 1.353 505 R CB 0.340 30.599 30.300 -0.068 0.000 1.191 505 R HN 0.476 nan 8.270 nan 0.000 0.590 506 P HA 0.007 nan 4.420 nan 0.000 0.267 506 P C -0.888 176.543 177.300 0.218 0.000 1.209 506 P CA 0.327 63.425 63.100 -0.003 0.000 0.763 506 P CB 0.842 32.374 31.700 -0.279 0.000 0.816 507 R N 1.992 122.630 120.500 0.230 0.000 2.797 507 R HA 0.302 4.642 4.340 0.001 0.000 0.251 507 R C 0.382 176.850 176.300 0.280 0.000 1.107 507 R CA -1.049 55.197 56.100 0.242 0.000 1.084 507 R CB 0.380 30.736 30.300 0.092 0.000 1.205 507 R HN 0.411 nan 8.270 nan 0.000 0.515 508 N N 1.045 119.804 118.700 0.098 0.000 2.725 508 N HA -0.222 4.519 4.740 0.001 0.000 0.280 508 N C -0.959 174.624 175.510 0.121 0.000 1.017 508 N CA 1.293 54.362 53.050 0.032 0.000 0.813 508 N CB -1.068 37.437 38.487 0.030 0.000 0.931 508 N HN 0.395 nan 8.380 nan 0.000 0.570 509 F N -2.296 117.655 119.950 0.002 0.000 2.650 509 F HA 0.769 5.297 4.527 0.000 0.000 0.320 509 F C -0.293 175.514 175.800 0.011 0.000 1.091 509 F CA -0.948 57.057 58.000 0.009 0.000 0.962 509 F CB 1.330 40.340 39.000 0.017 0.000 1.363 509 F HN -0.144 nan 8.300 nan 0.000 0.482 510 T N 3.344 118.013 114.554 0.191 0.000 2.881 510 T HA 0.507 4.858 4.350 0.001 0.000 0.290 510 T C -0.632 174.183 174.700 0.192 0.000 1.000 510 T CA -0.476 61.658 62.100 0.056 0.000 0.978 510 T CB 1.526 70.398 68.868 0.005 0.000 0.997 510 T HN 0.479 nan 8.240 nan 0.000 0.443 511 I N 2.702 123.358 120.570 0.144 0.000 2.575 511 I HA 0.274 4.444 4.170 0.001 0.000 0.285 511 I C 0.682 176.792 176.117 -0.012 0.000 1.085 511 I CA -0.019 61.363 61.300 0.138 0.000 1.403 511 I CB 0.939 39.042 38.000 0.171 0.000 1.409 511 I HN 0.611 nan 8.210 nan 0.000 0.557 512 T N 5.722 120.266 114.554 -0.017 0.000 2.934 512 T HA 0.299 4.649 4.350 0.001 0.000 0.328 512 T C -0.247 174.412 174.700 -0.068 0.000 1.068 512 T CA -0.424 61.632 62.100 -0.073 0.000 1.018 512 T CB 0.956 69.813 68.868 -0.017 0.000 1.009 512 T HN 0.463 nan 8.240 nan 0.000 0.471 513 V N 4.362 124.183 119.914 -0.156 0.000 2.498 513 V HA 0.575 4.695 4.120 0.001 0.000 0.279 513 V C 0.807 176.932 176.094 0.052 0.000 1.048 513 V CA -0.333 61.952 62.300 -0.025 0.000 0.967 513 V CB 0.822 32.654 31.823 0.015 0.000 0.988 513 V HN 0.909 nan 8.190 nan 0.000 0.473 514 R N 2.704 123.250 120.500 0.077 0.000 2.509 514 R HA 0.547 4.888 4.340 0.001 0.000 0.297 514 R C 0.225 176.582 176.300 0.094 0.000 0.951 514 R CA -0.306 55.844 56.100 0.084 0.000 1.103 514 R CB 0.729 31.062 30.300 0.055 0.000 1.283 514 R HN 0.789 nan 8.270 nan 0.000 0.534 515 E N 0.606 120.874 120.200 0.113 0.000 2.390 515 E HA 0.388 4.738 4.350 0.001 0.000 0.280 515 E C -1.846 174.840 176.600 0.144 0.000 0.992 515 E CA -0.847 55.620 56.400 0.111 0.000 0.790 515 E CB 3.035 32.788 29.700 0.090 0.000 1.248 515 E HN -0.042 nan 8.360 nan 0.000 0.447 516 V N 4.032 124.043 119.914 0.162 0.000 2.509 516 V HA 0.410 4.530 4.120 0.001 0.000 0.289 516 V C -0.317 175.944 176.094 0.278 0.000 1.026 516 V CA -0.709 61.719 62.300 0.214 0.000 0.872 516 V CB 1.446 33.421 31.823 0.253 0.000 1.017 516 V HN 0.570 nan 8.190 nan 0.000 0.436 517 R N 3.262 123.868 120.500 0.176 0.000 2.606 517 R HA 0.803 5.143 4.340 0.001 0.000 0.249 517 R C -1.154 175.102 176.300 -0.073 0.000 1.127 517 R CA -0.891 55.288 56.100 0.131 0.000 1.133 517 R CB 1.807 32.160 30.300 0.088 0.000 1.243 517 R HN 0.454 nan 8.270 nan 0.000 0.558 518 L N -0.868 120.256 121.223 -0.165 0.000 2.422 518 L HA 0.378 4.718 4.340 0.001 0.000 0.264 518 L C -1.177 175.585 176.870 -0.179 0.000 0.984 518 L CA -0.015 54.597 54.840 -0.380 0.000 0.819 518 L CB 2.629 44.187 42.059 -0.835 0.000 1.330 518 L HN 0.544 nan 8.230 nan 0.000 0.410 519 S N 3.499 119.111 115.700 -0.146 0.000 2.259 519 S HA 0.434 4.905 4.470 0.001 0.000 0.181 519 S C 0.878 175.456 174.600 -0.037 0.000 1.589 519 S CA 0.043 58.221 58.200 -0.038 0.000 1.234 519 S CB 1.294 64.510 63.200 0.026 0.000 1.119 519 S HN 0.863 nan 8.310 nan 0.000 0.458 520 A N 1.646 124.416 122.820 -0.083 0.000 2.139 520 A HA 0.052 4.373 4.320 0.001 0.000 0.221 520 A C 1.694 179.307 177.584 0.048 0.000 1.159 520 A CA 1.308 53.341 52.037 -0.006 0.000 0.662 520 A CB -0.438 18.565 19.000 0.004 0.000 0.796 520 A HN 0.744 nan 8.150 nan 0.000 0.463 521 G N -1.630 107.203 108.800 0.054 0.000 3.574 521 G HA2 0.462 4.423 3.960 0.001 0.000 0.262 521 G HA3 0.462 4.423 3.960 0.001 0.000 0.262 521 G C 0.663 175.606 174.900 0.072 0.000 1.231 521 G CA 0.569 45.707 45.100 0.064 0.000 1.608 521 G HN 1.202 nan 8.290 nan 0.000 0.628 522 G N 0.479 109.324 108.800 0.076 0.000 2.191 522 G HA2 0.264 4.224 3.960 0.001 0.000 0.090 522 G HA3 0.264 4.224 3.960 0.001 0.000 0.090 522 G C 0.071 175.058 174.900 0.145 0.000 1.980 522 G CA 0.353 45.535 45.100 0.137 0.000 1.116 522 G HN 0.963 nan 8.290 nan 0.000 0.313 523 R N -0.783 119.772 120.500 0.092 0.000 3.519 523 R HA 0.666 5.007 4.340 0.001 0.000 0.259 523 R C -1.418 174.876 176.300 -0.011 0.000 0.988 523 R CA -0.794 55.350 56.100 0.074 0.000 0.836 523 R CB -0.540 29.839 30.300 0.131 0.000 1.632 523 R HN 0.573 nan 8.270 nan 0.000 0.406 524 L N 1.962 123.181 121.223 -0.007 0.000 2.265 524 L HA 0.501 4.841 4.340 0.001 0.000 0.288 524 L C -0.376 176.501 176.870 0.011 0.000 1.058 524 L CA -0.640 54.163 54.840 -0.061 0.000 0.809 524 L CB 0.793 42.828 42.059 -0.040 0.000 1.179 524 L HN 0.339 nan 8.230 nan 0.000 0.429 525 I N 5.246 125.820 120.570 0.007 0.000 2.337 525 I HA 0.197 4.368 4.170 0.001 0.000 0.285 525 I C 0.026 176.198 176.117 0.091 0.000 1.041 525 I CA -0.495 60.845 61.300 0.066 0.000 1.199 525 I CB 1.250 39.291 38.000 0.068 0.000 1.370 525 I HN 0.239 nan 8.210 nan 0.000 0.470 526 V N 8.975 128.959 119.914 0.117 0.000 2.350 526 V HA 0.634 4.754 4.120 0.001 0.000 0.276 526 V C -2.382 173.791 176.094 0.132 0.000 1.028 526 V CA -1.649 60.735 62.300 0.139 0.000 0.860 526 V CB 1.692 33.616 31.823 0.169 0.000 0.990 526 V HN 0.499 nan 8.190 nan 0.000 0.453 527 P HA 0.387 nan 4.420 nan 0.000 0.292 527 P C 0.312 177.663 177.300 0.085 0.000 1.283 527 P CA -0.474 62.687 63.100 0.100 0.000 0.835 527 P CB 2.246 34.003 31.700 0.094 0.000 1.017 528 I N 1.162 121.770 120.570 0.064 0.000 2.594 528 I HA 0.009 4.179 4.170 0.001 0.000 0.237 528 I C 1.876 178.011 176.117 0.031 0.000 1.071 528 I CA 1.227 62.553 61.300 0.044 0.000 1.427 528 I CB -1.532 36.487 38.000 0.032 0.000 1.218 528 I HN 0.386 nan 8.210 nan 0.000 0.444 529 T N -0.459 114.105 114.554 0.018 0.000 3.133 529 T HA 0.281 4.631 4.350 0.001 0.000 0.329 529 T C 1.112 175.827 174.700 0.026 0.000 1.248 529 T CA 0.175 62.283 62.100 0.013 0.000 0.933 529 T CB 0.416 69.281 68.868 -0.006 0.000 1.943 529 T HN 0.282 nan 8.240 nan 0.000 0.572 530 G N 0.129 108.943 108.800 0.023 0.000 3.414 530 G HA2 0.446 4.407 3.960 0.001 0.000 0.258 530 G HA3 0.446 4.407 3.960 0.001 0.000 0.258 530 G C 0.990 175.916 174.900 0.043 0.000 1.348 530 G CA 0.115 45.234 45.100 0.033 0.000 1.319 530 G HN 1.036 nan 8.290 nan 0.000 0.555 531 A N 0.270 123.116 122.820 0.044 0.000 2.253 531 A HA 0.111 4.432 4.320 0.001 0.000 0.203 531 A C 1.668 179.312 177.584 0.100 0.000 1.272 531 A CA 0.178 52.250 52.037 0.058 0.000 0.847 531 A CB -0.296 18.732 19.000 0.047 0.000 0.772 531 A HN 0.576 nan 8.150 nan 0.000 0.494 532 I N -0.930 119.694 120.570 0.090 0.000 3.793 532 I HA 0.112 4.282 4.170 0.001 0.000 0.315 532 I C 1.007 177.196 176.117 0.120 0.000 1.275 532 I CA -0.130 61.231 61.300 0.102 0.000 1.214 532 I CB -0.100 37.944 38.000 0.072 0.000 1.018 532 I HN 0.376 nan 8.210 nan 0.000 0.439 533 M N 1.928 121.603 119.600 0.126 0.000 3.324 533 M HA -0.032 4.448 4.480 0.001 0.000 0.233 533 M C 1.083 177.537 176.300 0.256 0.000 1.662 533 M CA 0.587 55.970 55.300 0.138 0.000 1.709 533 M CB -0.946 31.713 32.600 0.099 0.000 1.349 533 M HN 0.217 nan 8.290 nan 0.000 0.514 534 T N 0.903 115.580 114.554 0.206 0.000 3.107 534 T HA 0.309 4.659 4.350 0.001 0.000 0.249 534 T C 0.357 175.129 174.700 0.119 0.000 1.096 534 T CA -0.145 62.067 62.100 0.186 0.000 1.012 534 T CB -0.089 68.792 68.868 0.022 0.000 0.977 534 T HN 0.601 nan 8.240 nan 0.000 0.527 535 M N 1.693 121.372 119.600 0.133 0.000 2.197 535 M HA 0.509 4.989 4.480 0.001 0.000 0.226 535 M C -3.314 173.041 176.300 0.092 0.000 0.970 535 M CA -2.601 52.757 55.300 0.096 0.000 1.036 535 M CB 1.627 34.259 32.600 0.053 0.000 2.437 535 M HN -0.241 nan 8.290 nan 0.000 0.432 536 P HA 0.561 nan 4.420 nan 0.000 0.272 536 P C -0.136 177.194 177.300 0.050 0.000 1.240 536 P CA -0.210 62.935 63.100 0.074 0.000 0.791 536 P CB 0.833 32.578 31.700 0.076 0.000 0.978 537 G N 0.376 109.197 108.800 0.036 0.000 2.568 537 G HA2 0.622 4.582 3.960 0.001 0.000 0.313 537 G HA3 0.622 4.582 3.960 0.001 0.000 0.313 537 G C -0.933 173.982 174.900 0.024 0.000 1.227 537 G CA -0.866 44.248 45.100 0.024 0.000 0.979 537 G HN 0.359 nan 8.290 nan 0.000 0.486 538 L N 0.430 121.666 121.223 0.022 0.000 2.439 538 L HA 0.342 4.682 4.340 0.001 0.000 0.261 538 L C -1.807 175.072 176.870 0.016 0.000 1.153 538 L CA -1.393 53.462 54.840 0.025 0.000 0.808 538 L CB 0.885 42.963 42.059 0.031 0.000 1.126 538 L HN 0.281 nan 8.230 nan 0.000 0.460 539 P HA 0.175 nan 4.420 nan 0.000 0.278 539 P C -0.160 177.144 177.300 0.006 0.000 1.266 539 P CA -0.818 62.286 63.100 0.006 0.000 0.807 539 P CB 0.548 32.249 31.700 0.003 0.000 1.094 540 K N 0.233 120.633 120.400 0.001 0.000 2.211 540 K HA -0.143 4.177 4.320 0.001 0.000 0.204 540 K C 0.847 177.449 176.600 0.003 0.000 1.047 540 K CA 1.301 57.589 56.287 0.001 0.000 0.935 540 K CB -0.071 32.427 32.500 -0.003 0.000 0.728 540 K HN 0.168 nan 8.250 nan 0.000 0.452 541 R N 1.876 122.378 120.500 0.003 0.000 2.790 541 R HA 0.235 4.576 4.340 0.001 0.000 0.274 541 R C -2.545 173.761 176.300 0.011 0.000 1.334 541 R CA -2.348 53.755 56.100 0.005 0.000 1.543 541 R CB 0.725 31.024 30.300 -0.001 0.000 1.154 541 R HN 0.028 nan 8.270 nan 0.000 0.601 542 P HA -0.052 nan 4.420 nan 0.000 0.257 542 P C 0.320 177.641 177.300 0.036 0.000 1.189 542 P CA 0.322 63.443 63.100 0.036 0.000 0.780 542 P CB 1.086 32.812 31.700 0.044 0.000 0.772 543 A N 5.055 127.892 122.820 0.027 0.000 2.042 543 A HA -0.250 4.071 4.320 0.001 0.000 0.222 543 A C 2.059 179.644 177.584 0.002 0.000 1.167 543 A CA 2.097 54.133 52.037 -0.002 0.000 0.649 543 A CB -1.170 17.812 19.000 -0.030 0.000 0.809 543 A HN 0.521 nan 8.150 nan 0.000 0.457 544 A N -1.838 121.026 122.820 0.073 0.000 2.168 544 A HA -0.011 4.309 4.320 0.001 0.000 0.215 544 A C 2.022 179.662 177.584 0.094 0.000 1.152 544 A CA 1.274 53.397 52.037 0.143 0.000 0.716 544 A CB -0.950 18.238 19.000 0.314 0.000 0.794 544 A HN 0.602 nan 8.150 nan 0.000 0.465 545 C N -0.649 118.684 119.300 0.055 0.000 2.464 545 C HA 0.062 4.522 4.460 0.001 0.000 0.278 545 C C 2.079 177.084 174.990 0.024 0.000 1.375 545 C CA 0.789 59.830 59.018 0.038 0.000 1.761 545 C CB -0.992 26.765 27.740 0.027 0.000 1.944 545 C HN 0.679 nan 8.230 nan 0.000 0.509 546 N N 0.915 119.622 118.700 0.011 0.000 2.235 546 N HA 0.143 4.883 4.740 0.001 0.000 0.209 546 N C -0.124 175.382 175.510 -0.007 0.000 1.122 546 N CA 0.146 53.197 53.050 0.000 0.000 0.845 546 N CB 0.004 38.486 38.487 -0.009 0.000 1.004 546 N HN 0.303 nan 8.380 nan 0.000 0.499 547 I N 0.768 121.340 120.570 0.002 0.000 2.472 547 I HA 0.257 4.427 4.170 0.001 0.000 0.290 547 I C 0.087 176.216 176.117 0.020 0.000 1.016 547 I CA 0.186 61.483 61.300 -0.006 0.000 1.348 547 I CB 1.234 39.236 38.000 0.003 0.000 1.417 547 I HN -0.010 nan 8.210 nan 0.000 0.521 548 D N 4.987 125.394 120.400 0.013 0.000 2.706 548 D HA 0.369 5.009 4.640 0.001 0.000 0.227 548 D C -1.545 174.767 176.300 0.021 0.000 1.233 548 D CA -0.395 53.619 54.000 0.024 0.000 0.768 548 D CB 2.383 43.192 40.800 0.016 0.000 1.490 548 D HN 0.417 nan 8.370 nan 0.000 0.458 549 I N 2.113 122.701 120.570 0.031 0.000 2.406 549 I HA 0.284 4.454 4.170 0.001 0.000 0.290 549 I C -0.003 176.128 176.117 0.024 0.000 0.999 549 I CA -0.548 60.770 61.300 0.029 0.000 1.124 549 I CB 1.264 39.290 38.000 0.044 0.000 1.289 549 I HN 0.256 nan 8.210 nan 0.000 0.441 550 D N 4.920 125.330 120.400 0.017 0.000 2.352 550 D HA 0.069 4.710 4.640 0.001 0.000 0.238 550 D C 1.002 177.312 176.300 0.017 0.000 1.286 550 D CA 0.466 54.474 54.000 0.014 0.000 0.923 550 D CB 1.702 42.508 40.800 0.010 0.000 1.146 550 D HN 0.717 nan 8.370 nan 0.000 0.471 551 A N 1.456 124.285 122.820 0.015 0.000 2.225 551 A HA -0.127 4.194 4.320 0.001 0.000 0.215 551 A C 0.652 178.246 177.584 0.016 0.000 1.164 551 A CA 1.640 53.687 52.037 0.016 0.000 0.710 551 A CB -0.112 18.895 19.000 0.013 0.000 0.780 551 A HN 0.598 nan 8.150 nan 0.000 0.473 552 D N -1.926 118.484 120.400 0.015 0.000 2.973 552 D HA 0.350 4.990 4.640 0.001 0.000 0.187 552 D C 1.216 177.526 176.300 0.016 0.000 1.467 552 D CA 0.346 54.355 54.000 0.015 0.000 1.515 552 D CB -0.712 40.094 40.800 0.011 0.000 1.182 552 D HN 0.251 nan 8.370 nan 0.000 0.213 553 G N 0.429 109.235 108.800 0.011 0.000 2.634 553 G HA2 0.449 4.409 3.960 0.001 0.000 0.255 553 G HA3 0.449 4.409 3.960 0.001 0.000 0.255 553 G C -0.372 174.535 174.900 0.010 0.000 1.205 553 G CA -0.356 44.749 45.100 0.009 0.000 0.884 553 G HN 0.111 nan 8.290 nan 0.000 0.549 554 V N 1.443 121.361 119.914 0.007 0.000 2.394 554 V HA 0.427 4.548 4.120 0.001 0.000 0.282 554 V C 0.158 176.246 176.094 -0.010 0.000 1.031 554 V CA -0.571 61.731 62.300 0.004 0.000 0.881 554 V CB 1.261 33.088 31.823 0.007 0.000 0.982 554 V HN 0.641 nan 8.190 nan 0.000 0.451 555 I N 4.354 124.917 120.570 -0.012 0.000 2.436 555 I HA 0.562 4.732 4.170 0.001 0.000 0.289 555 I C -0.066 176.033 176.117 -0.031 0.000 1.010 555 I CA 0.100 61.389 61.300 -0.019 0.000 1.098 555 I CB 1.720 39.714 38.000 -0.011 0.000 1.266 555 I HN 0.862 nan 8.210 nan 0.000 0.434 556 T N 4.133 118.662 114.554 -0.041 0.000 4.401 556 T HA -0.051 4.300 4.350 0.001 0.000 0.341 556 T C -0.290 174.357 174.700 -0.089 0.000 0.757 556 T CA 0.398 62.466 62.100 -0.054 0.000 2.001 556 T CB -1.777 67.064 68.868 -0.045 0.000 1.884 556 T HN 1.098 nan 8.240 nan 0.000 0.964 557 G N 0.000 108.746 108.800 -0.090 0.000 5.446 557 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 557 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 557 G CA 0.000 45.024 45.100 -0.127 0.000 0.502 557 G HN 0.000 nan 8.290 nan 0.000 0.925