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 1zj9_1_B DATA FIRST_RESID 10 DATA SEQUENCE RNEGQWALGH REPLNANEEL KKAGNPLDVR ERIENIYAKQ GFDSIDKTDL DATA SEQUENCE RGRFRWWGLY TQREQGYDGT WTGDDNIDKL EAKYFMMRVR CDGGALSAAA DATA SEQUENCE LRTLGQISTE FARDTADISD RQNVQYHWIE VENVPEIWRR LDDVGLQTTE DATA SEQUENCE ACGDCPRVVL GSPLAGESLD EVLDPTWAIE EIVRRYIGKP DFADLPRKYK DATA SEQUENCE TAISGLQDVA HEINDVAFIG VNHPEHGPGL DLWVGGGLST NPMLAQRVGA DATA SEQUENCE WVPLGEVPEV WAAVTSVFRD YGYRRLRAKA RLKFLIKDWG IAKFREVLET DATA SEQUENCE EYLKRPLIDG PAPEPVKHPI DHVGVQRLKN GLNAVGVAPI AGRVSGTILT DATA SEQUENCE AVADLMARAG SDRIRFTPYQ KLVILDIPDA LLDDLIAGLD ALGLQSRPSH DATA SEQUENCE WRRNLMACSG IEFCKLSFAE TRVRAQHLVP ELERRLEDIN SQLDVPITVN DATA SEQUENCE INGCPNSCAR IQIADIGFKG QMIDDGHGGS VEGFQVHLGG HLGLDAGFGR DATA SEQUENCE KLRQHKVTSD ELGDYIDRVV RNFVKHRSEG ERFAQWVIRA EEDDLR 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.251 176.300 -0.082 0.000 0.893 10 R CA 0.000 56.076 56.100 -0.040 0.000 0.921 10 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 11 N N -0.141 118.455 118.700 -0.172 0.000 2.479 11 N HA 0.194 4.934 4.740 0.001 0.000 0.261 11 N C -0.635 174.811 175.510 -0.107 0.000 0.979 11 N CA -0.430 52.422 53.050 -0.331 0.000 0.930 11 N CB 1.484 39.653 38.487 -0.531 0.000 1.172 11 N HN 0.500 nan 8.380 nan 0.000 0.499 12 E N 2.769 122.998 120.200 0.047 0.000 2.481 12 E HA 0.192 4.542 4.350 0.001 0.000 0.198 12 E C 0.704 177.386 176.600 0.136 0.000 1.027 12 E CA 0.282 56.704 56.400 0.037 0.000 0.900 12 E CB 0.453 30.126 29.700 -0.046 0.000 0.993 12 E HN 0.898 nan 8.360 nan 0.000 0.482 13 G N 2.246 111.196 108.800 0.251 0.000 2.171 13 G HA2 -0.301 3.659 3.960 0.001 0.000 0.238 13 G HA3 -0.301 3.659 3.960 0.001 0.000 0.238 13 G C -0.220 174.816 174.900 0.227 0.000 1.039 13 G CA -0.065 45.195 45.100 0.266 0.000 0.759 13 G HN 0.268 nan 8.290 nan 0.000 0.501 14 Q N -0.346 119.583 119.800 0.216 0.000 2.456 14 Q HA 0.377 4.718 4.340 0.001 0.000 0.234 14 Q C 1.071 177.089 176.000 0.029 0.000 1.061 14 Q CA -1.149 54.684 55.803 0.050 0.000 0.896 14 Q CB 0.549 29.356 28.738 0.115 0.000 1.233 14 Q HN 0.412 nan 8.270 nan 0.000 0.506 15 W N 1.629 122.852 121.300 -0.129 0.000 2.256 15 W HA -0.337 4.323 4.660 0.000 0.000 0.311 15 W C 1.892 178.274 176.519 -0.228 0.000 1.258 15 W CA 1.472 58.723 57.345 -0.156 0.000 1.269 15 W CB -1.121 28.267 29.460 -0.120 0.000 1.134 15 W HN 0.745 nan 8.180 nan 0.000 0.518 16 A N -0.530 122.203 122.820 -0.145 0.000 1.930 16 A HA -0.051 4.269 4.320 0.001 0.000 0.217 16 A C 2.023 179.447 177.584 -0.268 0.000 1.175 16 A CA 1.172 53.006 52.037 -0.339 0.000 0.627 16 A CB -0.857 17.519 19.000 -1.041 0.000 0.815 16 A HN 0.247 nan 8.150 nan 0.000 0.443 17 L N -1.252 119.802 121.223 -0.281 0.000 2.612 17 L HA 0.197 4.537 4.340 0.001 0.000 0.230 17 L C 1.752 178.323 176.870 -0.498 0.000 1.140 17 L CA 0.521 55.197 54.840 -0.274 0.000 0.896 17 L CB -0.114 41.834 42.059 -0.184 0.000 1.065 17 L HN 0.631 nan 8.230 nan 0.000 0.447 18 G N -0.668 107.935 108.800 -0.328 0.000 2.345 18 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 18 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 18 G C 0.386 175.220 174.900 -0.109 0.000 1.058 18 G CA -0.173 44.801 45.100 -0.210 0.000 0.632 18 G HN 0.460 nan 8.290 nan 0.000 0.508 19 H N 1.427 120.546 119.070 0.083 0.000 3.981 19 H HA 0.320 4.877 4.556 0.001 0.000 0.208 19 H C 1.551 176.969 175.328 0.150 0.000 1.611 19 H CA 0.528 56.630 56.048 0.090 0.000 1.470 19 H CB -0.276 29.538 29.762 0.086 0.000 1.777 19 H HN 0.450 nan 8.280 nan 0.000 0.727 20 R N 0.855 121.437 120.500 0.136 0.000 2.328 20 R HA -0.026 4.314 4.340 0.001 0.000 0.200 20 R C -0.162 176.171 176.300 0.055 0.000 0.983 20 R CA 0.114 56.226 56.100 0.020 0.000 1.062 20 R CB 0.331 30.470 30.300 -0.268 0.000 0.956 20 R HN 0.302 nan 8.270 nan 0.000 0.479 21 E N 1.083 121.354 120.200 0.119 0.000 2.197 21 E HA 0.217 4.567 4.350 0.001 0.000 0.281 21 E C -2.394 174.267 176.600 0.101 0.000 0.995 21 E CA -3.009 53.436 56.400 0.075 0.000 0.808 21 E CB 1.135 30.867 29.700 0.054 0.000 1.093 21 E HN -0.008 nan 8.360 nan 0.000 0.394 22 P HA 0.081 nan 4.420 nan 0.000 0.267 22 P C 0.044 177.381 177.300 0.061 0.000 1.205 22 P CA 0.219 63.368 63.100 0.080 0.000 0.765 22 P CB 0.419 32.150 31.700 0.052 0.000 0.828 23 L N 1.334 122.596 121.223 0.064 0.000 3.086 23 L HA 0.332 4.672 4.340 0.001 0.000 0.274 23 L C 0.418 177.310 176.870 0.036 0.000 1.184 23 L CA 0.133 54.998 54.840 0.042 0.000 1.002 23 L CB -0.021 42.061 42.059 0.037 0.000 1.383 23 L HN 0.277 nan 8.230 nan 0.000 0.582 24 N N -0.401 118.326 118.700 0.046 0.000 2.284 24 N HA 0.440 5.180 4.740 0.001 0.000 0.289 24 N C 0.608 176.146 175.510 0.046 0.000 1.179 24 N CA 0.142 53.218 53.050 0.045 0.000 0.774 24 N CB 2.225 40.745 38.487 0.055 0.000 1.548 24 N HN -0.116 nan 8.380 nan 0.000 0.473 25 A N 1.644 124.490 122.820 0.043 0.000 1.972 25 A HA -0.167 4.153 4.320 0.001 0.000 0.219 25 A C 1.552 179.167 177.584 0.052 0.000 1.169 25 A CA 1.700 53.761 52.037 0.040 0.000 0.635 25 A CB -0.534 18.488 19.000 0.037 0.000 0.810 25 A HN 0.764 nan 8.150 nan 0.000 0.446 26 N N -0.119 118.624 118.700 0.071 0.000 2.080 26 N HA -0.114 4.626 4.740 0.001 0.000 0.189 26 N C 1.689 177.260 175.510 0.102 0.000 1.036 26 N CA 1.390 54.501 53.050 0.102 0.000 0.846 26 N CB -0.184 38.376 38.487 0.122 0.000 1.015 26 N HN 0.344 nan 8.380 nan 0.000 0.423 27 E N 0.909 121.167 120.200 0.096 0.000 2.110 27 E HA -0.187 4.163 4.350 0.001 0.000 0.193 27 E C 1.719 178.369 176.600 0.084 0.000 0.988 27 E CA 0.756 57.222 56.400 0.110 0.000 0.804 27 E CB -0.171 29.599 29.700 0.117 0.000 0.745 27 E HN 0.504 nan 8.360 nan 0.000 0.458 28 E N 0.481 120.715 120.200 0.057 0.000 2.106 28 E HA -0.164 4.186 4.350 0.001 0.000 0.192 28 E C 2.147 178.754 176.600 0.011 0.000 0.984 28 E CA 0.866 57.285 56.400 0.032 0.000 0.806 28 E CB 0.024 29.739 29.700 0.026 0.000 0.750 28 E HN 0.187 nan 8.360 nan 0.000 0.458 29 L N -1.246 119.982 121.223 0.008 0.000 2.446 29 L HA 0.129 4.470 4.340 0.001 0.000 0.219 29 L C 1.678 178.506 176.870 -0.070 0.000 1.116 29 L CA 1.001 55.827 54.840 -0.024 0.000 0.844 29 L CB 0.129 42.177 42.059 -0.018 0.000 0.970 29 L HN -0.171 nan 8.230 nan 0.000 0.457 30 K N 0.001 120.371 120.400 -0.051 0.000 2.296 30 K HA 0.024 4.344 4.320 0.001 0.000 0.200 30 K C 1.651 178.220 176.600 -0.053 0.000 1.048 30 K CA 0.404 56.637 56.287 -0.090 0.000 0.966 30 K CB 0.047 32.552 32.500 0.008 0.000 0.754 30 K HN 0.203 nan 8.250 nan 0.000 0.466 31 K N 0.747 121.133 120.400 -0.023 0.000 2.155 31 K HA 0.009 4.330 4.320 0.001 0.000 0.203 31 K C 0.944 177.512 176.600 -0.053 0.000 1.052 31 K CA 0.440 56.704 56.287 -0.037 0.000 0.948 31 K CB -0.090 32.395 32.500 -0.023 0.000 0.728 31 K HN 0.010 nan 8.250 nan 0.000 0.448 32 A N 1.859 124.649 122.820 -0.049 0.000 2.981 32 A HA 0.421 4.741 4.320 0.001 0.000 0.280 32 A C 0.663 178.211 177.584 -0.060 0.000 1.797 32 A CA 0.615 52.623 52.037 -0.048 0.000 1.456 32 A CB -1.371 17.607 19.000 -0.037 0.000 1.057 32 A HN 0.381 nan 8.150 nan 0.000 0.602 33 G N 1.518 110.281 108.800 -0.061 0.000 2.939 33 G HA2 -0.252 3.709 3.960 0.001 0.000 0.278 33 G HA3 -0.252 3.709 3.960 0.001 0.000 0.278 33 G C 0.035 174.882 174.900 -0.088 0.000 1.487 33 G CA -0.124 44.938 45.100 -0.063 0.000 0.935 33 G HN 1.088 nan 8.290 nan 0.000 0.553 34 N N 0.968 119.622 118.700 -0.077 0.000 2.454 34 N HA 0.259 4.999 4.740 0.001 0.000 0.260 34 N C -0.551 174.865 175.510 -0.157 0.000 1.218 34 N CA -1.262 51.726 53.050 -0.103 0.000 0.904 34 N CB 1.109 39.568 38.487 -0.047 0.000 1.065 34 N HN 0.148 nan 8.380 nan 0.000 0.462 35 P HA -0.010 nan 4.420 nan 0.000 0.220 35 P C 1.459 178.624 177.300 -0.226 0.000 1.152 35 P CA 0.694 63.499 63.100 -0.492 0.000 0.812 35 P CB 0.283 31.170 31.700 -1.354 0.000 0.792 36 L N -0.251 120.876 121.223 -0.159 0.000 2.551 36 L HA -0.144 4.196 4.340 0.001 0.000 0.230 36 L C 1.379 178.476 176.870 0.378 0.000 1.163 36 L CA 1.138 56.056 54.840 0.130 0.000 0.826 36 L CB -0.586 41.499 42.059 0.043 0.000 0.943 36 L HN -0.003 nan 8.230 nan 0.000 0.452 37 D N -1.044 119.464 120.400 0.181 0.000 2.347 37 D HA -0.058 4.582 4.640 0.001 0.000 0.213 37 D C 2.167 178.557 176.300 0.150 0.000 0.985 37 D CA 0.585 54.671 54.000 0.144 0.000 0.879 37 D CB 0.413 41.250 40.800 0.061 0.000 0.919 37 D HN 0.166 nan 8.370 nan 0.000 0.526 38 V N 1.204 121.248 119.914 0.216 0.000 2.568 38 V HA -0.234 3.887 4.120 0.001 0.000 0.253 38 V C 2.547 178.700 176.094 0.098 0.000 1.072 38 V CA 1.124 63.552 62.300 0.213 0.000 1.084 38 V CB -0.530 31.465 31.823 0.286 0.000 0.676 38 V HN 0.180 nan 8.190 nan 0.000 0.469 39 R N 0.438 120.886 120.500 -0.087 0.000 2.134 39 R HA -0.258 4.082 4.340 0.001 0.000 0.248 39 R C 2.337 178.553 176.300 -0.140 0.000 1.143 39 R CA 2.288 58.145 56.100 -0.404 0.000 0.957 39 R CB -0.214 29.558 30.300 -0.880 0.000 0.867 39 R HN 0.593 nan 8.270 nan 0.000 0.441 40 E N 0.061 120.224 120.200 -0.061 0.000 2.077 40 E HA -0.204 4.146 4.350 0.001 0.000 0.193 40 E C 2.082 178.685 176.600 0.006 0.000 0.989 40 E CA 1.090 57.474 56.400 -0.026 0.000 0.800 40 E CB -0.381 29.313 29.700 -0.009 0.000 0.746 40 E HN 0.403 nan 8.360 nan 0.000 0.452 41 R N 0.261 120.797 120.500 0.060 0.000 2.075 41 R HA -0.045 4.295 4.340 0.001 0.000 0.232 41 R C 2.517 178.889 176.300 0.121 0.000 1.126 41 R CA 0.963 57.108 56.100 0.074 0.000 0.963 41 R CB -0.151 30.299 30.300 0.250 0.000 0.858 41 R HN 0.148 nan 8.270 nan 0.000 0.435 42 I N 1.101 121.811 120.570 0.234 0.000 2.076 42 I HA -0.283 3.888 4.170 0.001 0.000 0.237 42 I C 1.893 178.077 176.117 0.111 0.000 1.059 42 I CA 1.790 63.234 61.300 0.241 0.000 1.317 42 I CB -1.251 36.789 38.000 0.066 0.000 1.037 42 I HN 0.252 nan 8.210 nan 0.000 0.398 43 E N 0.819 121.063 120.200 0.073 0.000 2.160 43 E HA -0.198 4.152 4.350 0.001 0.000 0.195 43 E C 1.944 178.549 176.600 0.008 0.000 0.991 43 E CA 1.171 57.595 56.400 0.041 0.000 0.810 43 E CB -0.124 29.597 29.700 0.035 0.000 0.742 43 E HN 0.543 nan 8.360 nan 0.000 0.466 44 N N -0.203 118.490 118.700 -0.011 0.000 2.349 44 N HA 0.028 4.769 4.740 0.001 0.000 0.180 44 N C 1.691 177.156 175.510 -0.076 0.000 1.024 44 N CA 0.881 53.905 53.050 -0.042 0.000 0.869 44 N CB 0.294 38.750 38.487 -0.051 0.000 1.022 44 N HN 0.082 nan 8.380 nan 0.000 0.433 45 I N -0.463 120.020 120.570 -0.145 0.000 3.341 45 I HA -0.021 4.150 4.170 0.001 0.000 0.243 45 I C 1.643 177.652 176.117 -0.180 0.000 1.094 45 I CA 0.340 61.486 61.300 -0.257 0.000 1.507 45 I CB -0.558 37.136 38.000 -0.511 0.000 1.441 45 I HN -0.075 nan 8.210 nan 0.000 0.465 46 Y N 1.051 121.385 120.300 0.056 0.000 2.242 46 Y HA -0.024 4.526 4.550 0.000 0.000 0.291 46 Y C 2.479 178.428 175.900 0.082 0.000 1.137 46 Y CA 0.855 59.005 58.100 0.083 0.000 1.181 46 Y CB -1.179 37.381 38.460 0.167 0.000 0.989 46 Y HN 0.121 nan 8.280 nan 0.000 0.527 47 A N -0.432 122.505 122.820 0.195 0.000 2.178 47 A HA -0.147 4.173 4.320 0.001 0.000 0.218 47 A C 1.879 179.499 177.584 0.059 0.000 1.157 47 A CA 1.616 53.710 52.037 0.095 0.000 0.689 47 A CB -0.423 18.593 19.000 0.027 0.000 0.787 47 A HN 0.349 nan 8.150 nan 0.000 0.465 48 K N -1.467 118.965 120.400 0.054 0.000 2.273 48 K HA 0.165 4.485 4.320 0.001 0.000 0.206 48 K C 1.543 178.166 176.600 0.038 0.000 1.072 48 K CA 0.747 57.051 56.287 0.029 0.000 0.953 48 K CB 0.093 32.594 32.500 0.001 0.000 1.043 48 K HN 0.312 nan 8.250 nan 0.000 0.477 49 Q N -0.028 119.798 119.800 0.043 0.000 2.280 49 Q HA 0.294 4.634 4.340 0.001 0.000 0.202 49 Q C 0.069 176.114 176.000 0.075 0.000 0.903 49 Q CA 0.317 56.146 55.803 0.044 0.000 0.948 49 Q CB 1.046 29.796 28.738 0.020 0.000 1.058 49 Q HN 0.405 nan 8.270 nan 0.000 0.493 50 G N 0.246 109.111 108.800 0.108 0.000 2.615 50 G HA2 -0.352 3.608 3.960 0.001 0.000 0.218 50 G HA3 -0.352 3.608 3.960 0.001 0.000 0.218 50 G C -0.011 175.004 174.900 0.191 0.000 1.339 50 G CA -0.166 45.017 45.100 0.138 0.000 0.884 50 G HN 0.271 nan 8.290 nan 0.000 0.559 51 F N 0.795 120.762 119.950 0.029 0.000 2.234 51 F HA 0.171 4.698 4.527 0.000 0.000 0.296 51 F C 2.248 178.051 175.800 0.005 0.000 1.089 51 F CA 2.200 60.205 58.000 0.008 0.000 1.343 51 F CB -0.081 38.851 39.000 -0.114 0.000 1.040 51 F HN 0.365 nan 8.300 nan 0.000 0.498 52 D N -0.461 119.940 120.400 0.002 0.000 2.310 52 D HA -0.122 4.519 4.640 0.001 0.000 0.212 52 D C 2.397 178.640 176.300 -0.095 0.000 0.965 52 D CA 1.206 55.153 54.000 -0.087 0.000 0.879 52 D CB -0.223 40.598 40.800 0.035 0.000 0.921 52 D HN 0.346 nan 8.370 nan 0.000 0.510 53 S N -0.242 115.446 115.700 -0.020 0.000 2.489 53 S HA -0.022 4.449 4.470 0.001 0.000 0.228 53 S C 0.805 175.503 174.600 0.163 0.000 0.995 53 S CA -0.118 58.120 58.200 0.063 0.000 0.934 53 S CB -0.342 62.921 63.200 0.104 0.000 0.771 53 S HN 0.140 nan 8.310 nan 0.000 0.522 54 I N 3.840 124.410 120.570 0.001 0.000 2.371 54 I HA 0.218 4.389 4.170 0.001 0.000 0.290 54 I C -0.596 175.375 176.117 -0.244 0.000 1.028 54 I CA -0.867 60.316 61.300 -0.194 0.000 1.345 54 I CB 0.618 38.194 38.000 -0.707 0.000 1.407 54 I HN 0.183 nan 8.210 nan 0.000 0.501 55 D N 6.071 126.407 120.400 -0.108 0.000 2.390 55 D HA 0.031 4.672 4.640 0.001 0.000 0.249 55 D C 0.307 176.495 176.300 -0.188 0.000 1.144 55 D CA -0.491 53.449 54.000 -0.100 0.000 0.880 55 D CB 0.797 41.597 40.800 0.001 0.000 1.182 55 D HN 0.431 nan 8.370 nan 0.000 0.451 56 K N 0.297 120.608 120.400 -0.149 0.000 2.640 56 K HA -0.096 4.224 4.320 0.001 0.000 0.193 56 K C 1.431 177.970 176.600 -0.100 0.000 1.036 56 K CA 1.006 57.210 56.287 -0.139 0.000 0.962 56 K CB -0.112 32.337 32.500 -0.085 0.000 0.791 56 K HN 0.668 nan 8.250 nan 0.000 0.491 57 T N -3.298 111.199 114.554 -0.096 0.000 2.990 57 T HA 0.044 4.394 4.350 0.001 0.000 0.249 57 T C 1.253 175.910 174.700 -0.072 0.000 1.039 57 T CA 0.095 62.160 62.100 -0.058 0.000 1.036 57 T CB 0.266 69.116 68.868 -0.030 0.000 0.994 57 T HN -0.103 nan 8.240 nan 0.000 0.489 58 D N 0.618 120.934 120.400 -0.140 0.000 2.216 58 D HA 0.188 4.828 4.640 0.001 0.000 0.208 58 D C 1.853 177.947 176.300 -0.343 0.000 0.960 58 D CA 0.261 54.167 54.000 -0.158 0.000 0.861 58 D CB -0.095 40.575 40.800 -0.216 0.000 0.985 58 D HN 0.249 nan 8.370 nan 0.000 0.493 59 L N 1.015 121.909 121.223 -0.549 0.000 1.961 59 L HA -0.080 4.260 4.340 0.001 0.000 0.210 59 L C 1.941 178.669 176.870 -0.237 0.000 1.072 59 L CA 1.805 56.237 54.840 -0.681 0.000 0.749 59 L CB -0.147 41.620 42.059 -0.487 0.000 0.889 59 L HN -0.132 nan 8.230 nan 0.000 0.432 60 R N -1.090 119.358 120.500 -0.088 0.000 2.275 60 R HA 0.136 4.477 4.340 0.001 0.000 0.199 60 R C 1.609 177.957 176.300 0.080 0.000 0.989 60 R CA 0.586 56.707 56.100 0.035 0.000 1.016 60 R CB -0.282 30.046 30.300 0.046 0.000 0.918 60 R HN 0.548 nan 8.270 nan 0.000 0.473 61 G N 0.420 109.261 108.800 0.069 0.000 2.534 61 G HA2 -0.030 3.930 3.960 0.001 0.000 0.224 61 G HA3 -0.030 3.930 3.960 0.001 0.000 0.224 61 G C 1.054 176.096 174.900 0.237 0.000 1.822 61 G CA -0.366 44.816 45.100 0.136 0.000 0.805 61 G HN 0.020 nan 8.290 nan 0.000 0.649 62 R N -0.517 120.067 120.500 0.141 0.000 2.189 62 R HA 0.103 4.444 4.340 0.001 0.000 0.223 62 R C 2.240 178.804 176.300 0.440 0.000 1.092 62 R CA 0.441 56.634 56.100 0.155 0.000 0.989 62 R CB -0.331 29.990 30.300 0.034 0.000 0.876 62 R HN 0.279 nan 8.270 nan 0.000 0.457 63 F N 1.695 121.714 119.950 0.116 0.000 2.126 63 F HA -0.167 4.360 4.527 0.001 0.000 0.299 63 F C 2.252 178.111 175.800 0.098 0.000 1.096 63 F CA 1.270 59.313 58.000 0.072 0.000 1.255 63 F CB -0.317 38.600 39.000 -0.137 0.000 0.997 63 F HN -0.078 nan 8.300 nan 0.000 0.479 64 R N -0.825 119.787 120.500 0.187 0.000 2.134 64 R HA -0.281 4.059 4.340 0.001 0.000 0.248 64 R C 2.185 178.470 176.300 -0.026 0.000 1.143 64 R CA 1.895 57.914 56.100 -0.135 0.000 0.957 64 R CB -1.232 28.921 30.300 -0.246 0.000 0.867 64 R HN 0.392 nan 8.270 nan 0.000 0.441 65 W N -0.467 120.773 121.300 -0.100 0.000 2.504 65 W HA -0.188 4.473 4.660 0.000 0.000 0.257 65 W C 0.260 176.480 176.519 -0.498 0.000 1.225 65 W CA 0.448 57.641 57.345 -0.254 0.000 1.205 65 W CB -0.122 29.184 29.460 -0.256 0.000 1.137 65 W HN 0.321 nan 8.180 nan 0.000 0.612 66 W N -0.348 121.039 121.300 0.145 0.000 2.467 66 W HA 0.371 5.032 4.660 0.000 0.000 0.369 66 W C 1.329 177.906 176.519 0.096 0.000 0.938 66 W CA 0.425 57.858 57.345 0.147 0.000 1.845 66 W CB 0.108 29.728 29.460 0.267 0.000 1.167 66 W HN -0.045 nan 8.180 nan 0.000 0.558 67 G N 1.183 110.061 108.800 0.131 0.000 2.143 67 G HA2 -0.315 3.646 3.960 0.001 0.000 0.248 67 G HA3 -0.315 3.646 3.960 0.001 0.000 0.248 67 G C -0.193 174.744 174.900 0.061 0.000 0.991 67 G CA -0.178 44.977 45.100 0.091 0.000 0.689 67 G HN 0.211 nan 8.290 nan 0.000 0.522 68 L N 1.024 122.230 121.223 -0.028 0.000 2.360 68 L HA 0.484 4.825 4.340 0.001 0.000 0.265 68 L C 0.367 177.224 176.870 -0.022 0.000 1.066 68 L CA -1.082 53.716 54.840 -0.070 0.000 0.929 68 L CB 0.146 42.014 42.059 -0.317 0.000 1.306 68 L HN 0.174 nan 8.230 nan 0.000 0.434 69 Y N 0.575 120.960 120.300 0.141 0.000 2.298 69 Y HA 0.241 4.791 4.550 0.000 0.000 0.329 69 Y C 1.076 177.192 175.900 0.360 0.000 1.293 69 Y CA 0.066 58.286 58.100 0.199 0.000 1.388 69 Y CB 1.234 39.768 38.460 0.124 0.000 1.309 69 Y HN 0.202 nan 8.280 nan 0.000 0.544 70 T N 2.568 117.438 114.554 0.527 0.000 2.771 70 T HA 0.221 4.571 4.350 0.001 0.000 0.281 70 T C -0.650 174.209 174.700 0.264 0.000 0.982 70 T CA -0.896 61.495 62.100 0.485 0.000 0.978 70 T CB 0.284 69.412 68.868 0.434 0.000 0.930 70 T HN 0.646 nan 8.240 nan 0.000 0.447 71 Q N 4.220 124.107 119.800 0.146 0.000 2.317 71 Q HA 0.414 4.755 4.340 0.001 0.000 0.229 71 Q C 0.128 176.154 176.000 0.044 0.000 0.984 71 Q CA -0.900 54.958 55.803 0.091 0.000 0.911 71 Q CB 1.078 29.823 28.738 0.013 0.000 1.217 71 Q HN 0.564 nan 8.270 nan 0.000 0.501 72 R N 0.891 121.427 120.500 0.059 0.000 2.694 72 R HA 0.013 4.353 4.340 0.001 0.000 0.268 72 R C -0.502 175.822 176.300 0.041 0.000 1.061 72 R CA -0.235 55.889 56.100 0.039 0.000 1.133 72 R CB 0.694 31.020 30.300 0.042 0.000 1.020 72 R HN 0.708 nan 8.270 nan 0.000 0.475 73 E N 1.857 122.100 120.200 0.071 0.000 2.319 73 E HA 0.045 4.395 4.350 0.001 0.000 0.268 73 E C -0.759 175.986 176.600 0.242 0.000 1.050 73 E CA -0.251 56.248 56.400 0.165 0.000 0.878 73 E CB 0.890 30.723 29.700 0.222 0.000 1.066 73 E HN 0.332 nan 8.360 nan 0.000 0.406 74 Q N 1.276 121.169 119.800 0.155 0.000 2.417 74 Q HA 0.343 4.683 4.340 0.001 0.000 0.241 74 Q C 0.848 176.774 176.000 -0.123 0.000 1.008 74 Q CA 0.805 56.639 55.803 0.052 0.000 0.901 74 Q CB 0.888 29.661 28.738 0.058 0.000 1.259 74 Q HN 0.885 nan 8.270 nan 0.000 0.489 75 G N 0.798 109.488 108.800 -0.182 0.000 2.199 75 G HA2 -0.276 3.684 3.960 0.001 0.000 0.254 75 G HA3 -0.276 3.684 3.960 0.001 0.000 0.254 75 G C -0.515 174.097 174.900 -0.481 0.000 0.982 75 G CA -0.070 44.806 45.100 -0.372 0.000 0.632 75 G HN 0.490 nan 8.290 nan 0.000 0.529 76 Y N 2.909 123.107 120.300 -0.169 0.000 2.504 76 Y HA 0.473 5.023 4.550 0.001 0.000 0.339 76 Y C 0.822 176.740 175.900 0.030 0.000 0.974 76 Y CA -0.871 57.108 58.100 -0.202 0.000 1.232 76 Y CB 0.578 38.904 38.460 -0.223 0.000 1.108 76 Y HN 0.355 nan 8.280 nan 0.000 0.509 77 D N 0.558 121.105 120.400 0.246 0.000 2.349 77 D HA 0.026 4.667 4.640 0.001 0.000 0.239 77 D C 1.607 178.108 176.300 0.334 0.000 1.315 77 D CA -0.018 54.130 54.000 0.246 0.000 0.937 77 D CB 0.389 41.304 40.800 0.192 0.000 1.133 77 D HN 0.579 nan 8.370 nan 0.000 0.489 78 G N -1.611 107.333 108.800 0.239 0.000 2.498 78 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 78 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 78 G C 1.390 176.473 174.900 0.306 0.000 1.119 78 G CA 0.918 46.190 45.100 0.287 0.000 0.766 78 G HN 0.568 nan 8.290 nan 0.000 0.552 79 T N -0.145 114.532 114.554 0.205 0.000 2.918 79 T HA -0.148 4.202 4.350 0.001 0.000 0.271 79 T C 1.481 176.117 174.700 -0.108 0.000 1.104 79 T CA 1.024 63.129 62.100 0.008 0.000 1.114 79 T CB -0.258 68.557 68.868 -0.089 0.000 0.855 79 T HN 0.634 nan 8.240 nan 0.000 0.518 80 W N 1.133 122.511 121.300 0.130 0.000 3.278 80 W HA 0.259 4.920 4.660 0.000 0.000 0.308 80 W C 0.474 177.024 176.519 0.052 0.000 1.253 80 W CA -0.434 56.971 57.345 0.099 0.000 1.759 80 W CB -0.149 29.403 29.460 0.154 0.000 1.093 80 W HN -0.115 nan 8.180 nan 0.000 0.648 81 T N 1.351 116.048 114.554 0.238 0.000 2.727 81 T HA 0.577 4.928 4.350 0.001 0.000 0.295 81 T C 0.422 175.209 174.700 0.144 0.000 0.915 81 T CA 0.240 62.419 62.100 0.132 0.000 1.066 81 T CB 0.550 69.392 68.868 -0.043 0.000 0.891 81 T HN 0.155 nan 8.240 nan 0.000 0.516 82 G N 1.963 110.813 108.800 0.084 0.000 2.506 82 G HA2 0.358 4.318 3.960 0.001 0.000 0.292 82 G HA3 0.358 4.318 3.960 0.001 0.000 0.292 82 G C -0.363 174.568 174.900 0.052 0.000 1.425 82 G CA -0.681 44.465 45.100 0.077 0.000 0.788 82 G HN 0.380 nan 8.290 nan 0.000 0.490 83 D N -0.045 120.385 120.400 0.049 0.000 2.323 83 D HA 0.006 4.646 4.640 0.001 0.000 0.209 83 D C 1.626 177.949 176.300 0.039 0.000 0.973 83 D CA 1.039 55.065 54.000 0.043 0.000 0.874 83 D CB 0.269 41.095 40.800 0.043 0.000 0.930 83 D HN 0.523 nan 8.370 nan 0.000 0.521 84 D N -0.141 120.282 120.400 0.039 0.000 2.347 84 D HA -0.068 4.573 4.640 0.001 0.000 0.215 84 D C 0.938 177.266 176.300 0.046 0.000 0.976 84 D CA 0.330 54.352 54.000 0.037 0.000 0.884 84 D CB -0.237 40.581 40.800 0.029 0.000 0.915 84 D HN 0.094 nan 8.370 nan 0.000 0.526 85 N N 0.426 119.156 118.700 0.051 0.000 2.203 85 N HA 0.153 4.893 4.740 0.001 0.000 0.207 85 N C 1.736 177.255 175.510 0.016 0.000 1.130 85 N CA -0.105 52.978 53.050 0.055 0.000 0.861 85 N CB 0.781 39.327 38.487 0.098 0.000 1.005 85 N HN 0.299 nan 8.380 nan 0.000 0.507 86 I N 0.125 120.709 120.570 0.024 0.000 2.623 86 I HA -0.230 3.940 4.170 0.001 0.000 0.261 86 I C 1.123 177.250 176.117 0.016 0.000 1.204 86 I CA 1.134 62.447 61.300 0.022 0.000 1.444 86 I CB -0.221 37.803 38.000 0.039 0.000 1.094 86 I HN -0.076 nan 8.210 nan 0.000 0.451 87 D N 1.260 121.668 120.400 0.013 0.000 2.144 87 D HA -0.078 4.563 4.640 0.001 0.000 0.207 87 D C 2.141 178.431 176.300 -0.017 0.000 0.970 87 D CA 0.749 54.760 54.000 0.017 0.000 0.853 87 D CB -0.163 40.654 40.800 0.029 0.000 1.007 87 D HN 0.127 nan 8.370 nan 0.000 0.469 88 K N 1.003 121.366 120.400 -0.062 0.000 2.063 88 K HA -0.015 4.305 4.320 0.001 0.000 0.208 88 K C 2.317 178.688 176.600 -0.381 0.000 1.048 88 K CA 0.484 56.651 56.287 -0.201 0.000 0.928 88 K CB -0.656 31.699 32.500 -0.242 0.000 0.713 88 K HN 0.219 nan 8.250 nan 0.000 0.442 89 L N 0.448 121.485 121.223 -0.310 0.000 2.291 89 L HA -0.020 4.320 4.340 0.001 0.000 0.214 89 L C 0.999 177.803 176.870 -0.109 0.000 1.120 89 L CA 0.302 54.973 54.840 -0.281 0.000 0.799 89 L CB -0.133 41.838 42.059 -0.148 0.000 0.925 89 L HN 0.122 nan 8.230 nan 0.000 0.446 90 E N 1.565 121.736 120.200 -0.048 0.000 1.814 90 E HA 0.279 4.630 4.350 0.001 0.000 0.264 90 E C 0.221 176.804 176.600 -0.029 0.000 1.179 90 E CA -0.517 55.892 56.400 0.016 0.000 0.972 90 E CB 0.505 30.261 29.700 0.092 0.000 1.077 90 E HN 0.251 nan 8.360 nan 0.000 0.417 91 A N 3.718 126.497 122.820 -0.069 0.000 2.475 91 A HA -0.050 4.270 4.320 0.001 0.000 0.239 91 A C 1.201 178.480 177.584 -0.508 0.000 1.087 91 A CA 0.087 52.042 52.037 -0.136 0.000 0.779 91 A CB 0.424 19.413 19.000 -0.019 0.000 1.036 91 A HN 0.756 nan 8.150 nan 0.000 0.506 92 K N -0.713 119.293 120.400 -0.657 0.000 2.365 92 K HA -0.053 4.267 4.320 0.001 0.000 0.199 92 K C -0.569 175.136 176.600 -1.492 0.000 1.045 92 K CA 0.782 56.197 56.287 -1.454 0.000 0.962 92 K CB -0.159 31.779 32.500 -0.937 0.000 0.759 92 K HN 0.660 nan 8.250 nan 0.000 0.469 93 Y N -0.846 119.003 120.300 -0.752 0.000 2.480 93 Y HA 0.326 4.876 4.550 0.000 0.000 0.323 93 Y C -0.105 175.376 175.900 -0.698 0.000 1.267 93 Y CA -0.918 56.833 58.100 -0.582 0.000 1.336 93 Y CB 0.735 39.058 38.460 -0.229 0.000 1.361 93 Y HN -0.225 nan 8.280 nan 0.000 0.518 94 F N 1.108 121.145 119.950 0.144 0.000 2.540 94 F HA 0.356 4.884 4.527 0.001 0.000 0.317 94 F C 0.037 175.817 175.800 -0.033 0.000 1.104 94 F CA -1.351 56.700 58.000 0.086 0.000 0.913 94 F CB 1.461 40.541 39.000 0.133 0.000 1.170 94 F HN 0.216 nan 8.300 nan 0.000 0.450 95 M N 4.753 124.425 119.600 0.120 0.000 2.238 95 M HA 0.367 4.847 4.480 0.001 0.000 0.347 95 M C -1.192 175.110 176.300 0.003 0.000 1.173 95 M CA 0.228 55.395 55.300 -0.222 0.000 1.147 95 M CB 0.900 33.341 32.600 -0.265 0.000 1.547 95 M HN 0.854 nan 8.290 nan 0.000 0.455 96 M N 5.660 125.216 119.600 -0.072 0.000 2.183 96 M HA 0.350 4.830 4.480 0.001 0.000 0.277 96 M C -1.244 175.028 176.300 -0.046 0.000 0.995 96 M CA -0.381 54.936 55.300 0.029 0.000 0.969 96 M CB 1.531 34.198 32.600 0.112 0.000 1.659 96 M HN 0.763 nan 8.290 nan 0.000 0.462 97 R N 4.864 125.366 120.500 0.004 0.000 2.215 97 R HA 0.524 4.864 4.340 0.001 0.000 0.337 97 R C -1.586 174.713 176.300 -0.003 0.000 1.010 97 R CA -0.427 55.655 56.100 -0.030 0.000 0.871 97 R CB 0.757 31.083 30.300 0.042 0.000 1.134 97 R HN 0.623 nan 8.270 nan 0.000 0.477 98 V N 5.416 125.285 119.914 -0.075 0.000 2.508 98 V HA 0.120 4.241 4.120 0.001 0.000 0.281 98 V C 0.853 176.965 176.094 0.030 0.000 1.041 98 V CA -0.129 62.172 62.300 0.001 0.000 1.016 98 V CB 0.853 32.650 31.823 -0.043 0.000 0.984 98 V HN 0.679 nan 8.190 nan 0.000 0.478 99 R N 4.552 125.091 120.500 0.064 0.000 2.272 99 R HA 0.306 4.646 4.340 0.001 0.000 0.334 99 R C -1.082 175.247 176.300 0.050 0.000 1.117 99 R CA -0.360 55.769 56.100 0.048 0.000 0.966 99 R CB -0.058 30.266 30.300 0.039 0.000 1.049 99 R HN 0.833 nan 8.270 nan 0.000 0.477 100 C N 4.439 123.774 119.300 0.059 0.000 2.317 100 C HA 0.338 4.798 4.460 0.001 0.000 0.306 100 C C -0.480 174.532 174.990 0.037 0.000 1.087 100 C CA -1.392 57.665 59.018 0.065 0.000 1.529 100 C CB -0.033 27.797 27.740 0.150 0.000 1.880 100 C HN 0.680 nan 8.230 nan 0.000 0.417 101 D N 1.550 121.948 120.400 -0.003 0.000 2.348 101 D HA 0.397 5.038 4.640 0.001 0.000 0.253 101 D C 1.206 177.486 176.300 -0.033 0.000 1.161 101 D CA 1.458 55.440 54.000 -0.028 0.000 0.876 101 D CB 1.395 42.156 40.800 -0.066 0.000 1.160 101 D HN 0.993 nan 8.370 nan 0.000 0.459 102 G N 2.047 110.833 108.800 -0.023 0.000 2.179 102 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 102 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 102 G C 1.082 175.979 174.900 -0.005 0.000 0.977 102 G CA 0.319 45.406 45.100 -0.021 0.000 0.641 102 G HN 1.157 nan 8.290 nan 0.000 0.533 103 G N -1.049 107.762 108.800 0.018 0.000 2.234 103 G HA2 0.156 4.117 3.960 0.001 0.000 0.260 103 G HA3 0.156 4.117 3.960 0.001 0.000 0.260 103 G C 0.843 175.689 174.900 -0.090 0.000 0.987 103 G CA 1.368 46.494 45.100 0.045 0.000 0.625 103 G HN 2.354 nan 8.290 nan 0.000 0.532 104 A N 0.140 122.905 122.820 -0.092 0.000 2.328 104 A HA 0.846 5.166 4.320 0.001 0.000 0.284 104 A C 0.003 177.499 177.584 -0.147 0.000 1.160 104 A CA 0.057 52.014 52.037 -0.132 0.000 0.818 104 A CB 0.619 19.568 19.000 -0.084 0.000 1.087 104 A HN 0.967 nan 8.150 nan 0.000 0.504 105 L N 1.414 122.524 121.223 -0.189 0.000 2.469 105 L HA 0.502 4.842 4.340 0.001 0.000 0.256 105 L C 0.504 177.305 176.870 -0.116 0.000 1.006 105 L CA -0.773 53.975 54.840 -0.153 0.000 0.832 105 L CB 2.504 44.429 42.059 -0.224 0.000 1.421 105 L HN 0.837 nan 8.230 nan 0.000 0.410 106 S N 0.026 115.684 115.700 -0.070 0.000 2.681 106 S HA 0.563 5.033 4.470 0.001 0.000 0.270 106 S C 0.965 175.541 174.600 -0.040 0.000 1.209 106 S CA -0.025 58.146 58.200 -0.048 0.000 0.988 106 S CB 1.530 64.714 63.200 -0.025 0.000 1.006 106 S HN 0.733 nan 8.310 nan 0.000 0.558 107 A N 1.074 123.879 122.820 -0.025 0.000 1.858 107 A HA 0.163 4.483 4.320 0.001 0.000 0.216 107 A C 2.424 180.011 177.584 0.005 0.000 1.190 107 A CA 1.878 53.909 52.037 -0.010 0.000 0.617 107 A CB -1.817 17.179 19.000 -0.005 0.000 0.827 107 A HN 1.325 nan 8.150 nan 0.000 0.443 108 A N -0.015 122.810 122.820 0.007 0.000 1.873 108 A HA 0.045 4.366 4.320 0.001 0.000 0.218 108 A C 2.557 180.159 177.584 0.030 0.000 1.193 108 A CA 2.664 54.712 52.037 0.019 0.000 0.629 108 A CB -1.273 17.738 19.000 0.018 0.000 0.826 108 A HN 1.242 nan 8.150 nan 0.000 0.447 109 A N -0.796 122.036 122.820 0.021 0.000 1.917 109 A HA -0.129 4.191 4.320 0.001 0.000 0.219 109 A C 2.190 179.805 177.584 0.051 0.000 1.182 109 A CA 1.965 54.021 52.037 0.032 0.000 0.633 109 A CB -0.627 18.377 19.000 0.007 0.000 0.819 109 A HN 0.765 nan 8.150 nan 0.000 0.448 110 L N -0.576 120.665 121.223 0.031 0.000 2.072 110 L HA -0.042 4.298 4.340 0.001 0.000 0.205 110 L C 2.475 179.397 176.870 0.087 0.000 1.079 110 L CA 2.221 57.096 54.840 0.058 0.000 0.752 110 L CB -0.506 41.567 42.059 0.023 0.000 0.906 110 L HN 0.458 nan 8.230 nan 0.000 0.436 111 R N -1.220 119.318 120.500 0.062 0.000 2.083 111 R HA -0.170 4.171 4.340 0.001 0.000 0.237 111 R C 2.029 178.372 176.300 0.072 0.000 1.137 111 R CA 2.110 58.246 56.100 0.059 0.000 0.951 111 R CB -0.462 29.861 30.300 0.040 0.000 0.851 111 R HN 0.391 nan 8.270 nan 0.000 0.434 112 T N 1.647 116.249 114.554 0.080 0.000 2.708 112 T HA -0.136 4.214 4.350 0.001 0.000 0.266 112 T C 1.631 176.418 174.700 0.146 0.000 1.037 112 T CA 1.060 63.218 62.100 0.097 0.000 1.146 112 T CB -0.217 68.712 68.868 0.102 0.000 0.865 112 T HN 0.076 nan 8.240 nan 0.000 0.435 113 L N 1.300 122.632 121.223 0.182 0.000 2.079 113 L HA 0.015 4.355 4.340 0.001 0.000 0.210 113 L C 2.593 179.639 176.870 0.294 0.000 1.081 113 L CA 1.812 56.822 54.840 0.283 0.000 0.752 113 L CB -1.347 40.864 42.059 0.253 0.000 0.896 113 L HN 0.359 nan 8.230 nan 0.000 0.433 114 G N -2.184 106.728 108.800 0.188 0.000 2.394 114 G HA2 -0.242 3.718 3.960 0.001 0.000 0.215 114 G HA3 -0.242 3.718 3.960 0.001 0.000 0.215 114 G C 1.505 176.448 174.900 0.073 0.000 1.165 114 G CA 0.540 45.726 45.100 0.144 0.000 0.784 114 G HN 0.406 nan 8.290 nan 0.000 0.535 115 Q N -0.066 119.761 119.800 0.045 0.000 2.002 115 Q HA -0.034 4.306 4.340 0.001 0.000 0.204 115 Q C 2.596 178.536 176.000 -0.101 0.000 0.988 115 Q CA 1.407 57.195 55.803 -0.025 0.000 0.843 115 Q CB -0.285 28.444 28.738 -0.015 0.000 0.908 115 Q HN 0.517 nan 8.270 nan 0.000 0.420 116 I N 0.019 120.560 120.570 -0.049 0.000 2.143 116 I HA -0.390 3.781 4.170 0.001 0.000 0.245 116 I C 2.545 178.481 176.117 -0.301 0.000 1.068 116 I CA 1.421 62.662 61.300 -0.099 0.000 1.326 116 I CB -0.534 37.504 38.000 0.062 0.000 1.028 116 I HN 0.251 nan 8.210 nan 0.000 0.412 117 S N 0.087 115.603 115.700 -0.307 0.000 2.348 117 S HA -0.202 4.268 4.470 0.001 0.000 0.221 117 S C 2.054 176.565 174.600 -0.147 0.000 1.033 117 S CA 2.298 60.325 58.200 -0.288 0.000 1.010 117 S CB -0.409 62.813 63.200 0.037 0.000 0.891 117 S HN 0.438 nan 8.310 nan 0.000 0.442 118 T N 1.257 115.747 114.554 -0.107 0.000 2.803 118 T HA -0.098 4.253 4.350 0.001 0.000 0.269 118 T C 1.707 176.302 174.700 -0.175 0.000 1.052 118 T CA 1.701 63.741 62.100 -0.099 0.000 1.136 118 T CB -0.295 68.528 68.868 -0.075 0.000 0.864 118 T HN 0.632 nan 8.240 nan 0.000 0.467 119 E N -0.388 119.622 120.200 -0.316 0.000 2.038 119 E HA 0.010 4.361 4.350 0.001 0.000 0.190 119 E C 1.364 177.704 176.600 -0.434 0.000 0.967 119 E CA 0.711 56.794 56.400 -0.527 0.000 0.816 119 E CB 0.026 29.127 29.700 -0.998 0.000 0.784 119 E HN 0.458 nan 8.360 nan 0.000 0.456 120 F N -0.264 119.630 119.950 -0.094 0.000 2.656 120 F HA 0.354 4.881 4.527 0.000 0.000 0.291 120 F C 1.559 177.343 175.800 -0.027 0.000 1.122 120 F CA 0.464 58.426 58.000 -0.063 0.000 1.427 120 F CB 0.359 39.304 39.000 -0.092 0.000 1.125 120 F HN 0.051 nan 8.300 nan 0.000 0.583 121 A N -0.169 122.690 122.820 0.065 0.000 2.610 121 A HA 0.353 4.674 4.320 0.001 0.000 0.286 121 A C 0.864 178.553 177.584 0.175 0.000 1.306 121 A CA -0.389 51.724 52.037 0.126 0.000 0.942 121 A CB -0.599 18.394 19.000 -0.013 0.000 1.112 121 A HN 0.271 nan 8.150 nan 0.000 0.527 122 R N -0.240 120.291 120.500 0.052 0.000 3.416 122 R HA -0.232 4.108 4.340 0.001 0.000 0.263 122 R C -0.023 176.297 176.300 0.033 0.000 1.053 122 R CA 0.723 56.795 56.100 -0.047 0.000 0.705 122 R CB -1.761 28.361 30.300 -0.297 0.000 1.124 122 R HN 0.555 nan 8.270 nan 0.000 0.444 123 D N -1.109 119.311 120.400 0.033 0.000 3.039 123 D HA -0.151 4.489 4.640 0.001 0.000 0.222 123 D C -0.086 176.293 176.300 0.133 0.000 1.179 123 D CA 2.081 56.114 54.000 0.056 0.000 0.880 123 D CB -0.429 40.389 40.800 0.031 0.000 1.115 123 D HN 0.656 nan 8.370 nan 0.000 0.416 124 T N -1.885 112.794 114.554 0.209 0.000 2.869 124 T HA 0.688 5.039 4.350 0.001 0.000 0.295 124 T C 0.102 174.981 174.700 0.299 0.000 0.987 124 T CA -0.006 62.261 62.100 0.278 0.000 1.109 124 T CB 2.114 71.208 68.868 0.376 0.000 0.932 124 T HN 0.612 nan 8.240 nan 0.000 0.518 125 A N 2.865 125.830 122.820 0.243 0.000 2.491 125 A HA 0.623 4.943 4.320 0.001 0.000 0.293 125 A C -1.478 176.171 177.584 0.110 0.000 1.047 125 A CA -0.946 51.209 52.037 0.198 0.000 0.735 125 A CB 1.414 20.528 19.000 0.191 0.000 1.281 125 A HN 0.801 nan 8.150 nan 0.000 0.398 126 D N 1.783 122.212 120.400 0.048 0.000 2.879 126 D HA 0.415 5.056 4.640 0.001 0.000 0.236 126 D C -0.883 175.351 176.300 -0.110 0.000 1.171 126 D CA -0.081 53.925 54.000 0.010 0.000 0.868 126 D CB 2.090 42.945 40.800 0.092 0.000 1.598 126 D HN 0.455 nan 8.370 nan 0.000 0.497 127 I N 1.958 122.433 120.570 -0.159 0.000 2.301 127 I HA 0.043 4.213 4.170 0.001 0.000 0.292 127 I C 0.956 176.973 176.117 -0.166 0.000 1.046 127 I CA -0.240 60.888 61.300 -0.288 0.000 1.282 127 I CB 0.731 38.490 38.000 -0.402 0.000 1.409 127 I HN 0.252 nan 8.210 nan 0.000 0.484 128 S N 3.192 118.795 115.700 -0.161 0.000 2.576 128 S HA 0.034 4.504 4.470 0.001 0.000 0.276 128 S C 0.845 175.393 174.600 -0.086 0.000 1.339 128 S CA -0.739 57.403 58.200 -0.097 0.000 1.039 128 S CB 0.957 64.103 63.200 -0.090 0.000 0.902 128 S HN 0.701 nan 8.310 nan 0.000 0.516 129 D N 0.920 121.276 120.400 -0.073 0.000 2.390 129 D HA -0.092 4.549 4.640 0.001 0.000 0.235 129 D C 0.920 177.151 176.300 -0.115 0.000 1.040 129 D CA 0.445 54.386 54.000 -0.098 0.000 0.923 129 D CB -0.282 40.447 40.800 -0.118 0.000 0.886 129 D HN 0.640 nan 8.370 nan 0.000 0.532 130 R N -0.281 120.172 120.500 -0.079 0.000 2.546 130 R HA 0.186 4.526 4.340 0.001 0.000 0.320 130 R C -0.096 176.197 176.300 -0.012 0.000 1.021 130 R CA -0.190 55.875 56.100 -0.058 0.000 1.088 130 R CB 0.140 30.409 30.300 -0.052 0.000 1.278 130 R HN 0.092 nan 8.270 nan 0.000 0.557 131 Q N 0.148 119.951 119.800 0.005 0.000 2.488 131 Q HA -0.139 4.202 4.340 0.001 0.000 0.279 131 Q C -1.056 175.033 176.000 0.148 0.000 1.174 131 Q CA 0.369 56.240 55.803 0.114 0.000 0.888 131 Q CB -1.149 27.675 28.738 0.143 0.000 1.254 131 Q HN 0.241 nan 8.270 nan 0.000 0.475 132 N N -0.363 118.320 118.700 -0.028 0.000 2.265 132 N HA 0.582 5.323 4.740 0.001 0.000 0.300 132 N C -0.415 174.948 175.510 -0.246 0.000 1.148 132 N CA -0.478 52.542 53.050 -0.051 0.000 0.772 132 N CB 1.834 40.292 38.487 -0.048 0.000 1.434 132 N HN 0.064 nan 8.380 nan 0.000 0.481 133 V N -0.621 119.159 119.914 -0.223 0.000 2.686 133 V HA 0.505 4.625 4.120 0.001 0.000 0.295 133 V C 0.008 175.908 176.094 -0.324 0.000 1.057 133 V CA -0.595 61.519 62.300 -0.310 0.000 1.012 133 V CB 1.053 32.699 31.823 -0.295 0.000 1.006 133 V HN 0.465 nan 8.190 nan 0.000 0.477 134 Q N 1.621 121.250 119.800 -0.284 0.000 2.309 134 Q HA 0.481 4.821 4.340 0.001 0.000 0.270 134 Q C -1.824 174.041 176.000 -0.225 0.000 1.023 134 Q CA -0.556 55.084 55.803 -0.271 0.000 0.758 134 Q CB 2.254 30.898 28.738 -0.156 0.000 1.247 134 Q HN 0.811 nan 8.270 nan 0.000 0.455 135 Y N 0.956 121.166 120.300 -0.149 0.000 2.320 135 Y HA 0.328 4.878 4.550 0.001 0.000 0.324 135 Y C 0.228 175.877 175.900 -0.420 0.000 1.190 135 Y CA -0.318 57.703 58.100 -0.132 0.000 1.215 135 Y CB 0.814 39.264 38.460 -0.016 0.000 1.221 135 Y HN 0.571 nan 8.280 nan 0.000 0.486 136 H N -1.034 117.981 119.070 -0.091 0.000 2.754 136 H HA 0.347 4.903 4.556 0.001 0.000 0.352 136 H C -0.975 174.235 175.328 -0.196 0.000 1.213 136 H CA -1.094 54.659 56.048 -0.493 0.000 1.244 136 H CB 0.889 29.725 29.762 -1.542 0.000 1.843 136 H HN 0.761 nan 8.280 nan 0.000 0.587 137 W N -0.822 120.453 121.300 -0.043 0.000 2.303 137 W HA -0.200 4.461 4.660 0.000 0.000 0.267 137 W C -0.692 175.957 176.519 0.217 0.000 1.054 137 W CA -0.257 57.047 57.345 -0.068 0.000 0.501 137 W CB -1.371 27.981 29.460 -0.180 0.000 2.076 137 W HN 0.244 nan 8.180 nan 0.000 1.317 138 I N 2.012 122.795 120.570 0.355 0.000 2.588 138 I HA 0.067 4.237 4.170 0.001 0.000 0.283 138 I C 0.920 177.247 176.117 0.350 0.000 1.119 138 I CA 0.401 61.885 61.300 0.307 0.000 1.419 138 I CB 0.177 38.313 38.000 0.226 0.000 1.394 138 I HN 0.071 nan 8.210 nan 0.000 0.562 139 E N 4.652 125.000 120.200 0.245 0.000 2.199 139 E HA 0.220 4.571 4.350 0.001 0.000 0.269 139 E C 0.676 177.377 176.600 0.168 0.000 0.899 139 E CA -0.685 55.804 56.400 0.148 0.000 0.772 139 E CB 2.716 32.445 29.700 0.048 0.000 1.155 139 E HN 0.365 nan 8.360 nan 0.000 0.408 140 V N 2.846 122.951 119.914 0.318 0.000 2.370 140 V HA -0.358 3.763 4.120 0.001 0.000 0.252 140 V C 1.526 177.649 176.094 0.049 0.000 1.068 140 V CA 2.466 64.929 62.300 0.271 0.000 1.061 140 V CB -0.351 31.759 31.823 0.478 0.000 0.656 140 V HN 0.741 nan 8.190 nan 0.000 0.455 141 E N 0.966 121.196 120.200 0.051 0.000 2.181 141 E HA -0.293 4.058 4.350 0.001 0.000 0.225 141 E C 1.911 178.427 176.600 -0.139 0.000 1.073 141 E CA 2.516 58.903 56.400 -0.022 0.000 0.916 141 E CB -0.505 29.193 29.700 -0.005 0.000 0.793 141 E HN 0.732 nan 8.360 nan 0.000 0.472 142 N N -0.371 118.188 118.700 -0.235 0.000 2.409 142 N HA -0.053 4.687 4.740 0.001 0.000 0.179 142 N C 1.777 176.954 175.510 -0.554 0.000 1.032 142 N CA 0.655 53.384 53.050 -0.536 0.000 0.898 142 N CB 0.036 38.020 38.487 -0.837 0.000 0.971 142 N HN 0.028 nan 8.380 nan 0.000 0.441 143 V N 2.480 122.121 119.914 -0.456 0.000 2.252 143 V HA -0.188 3.932 4.120 0.001 0.000 0.249 143 V C -0.577 175.102 176.094 -0.692 0.000 1.056 143 V CA 1.977 63.869 62.300 -0.680 0.000 1.022 143 V CB -1.523 29.791 31.823 -0.850 0.000 0.641 143 V HN 0.201 nan 8.190 nan 0.000 0.445 144 P HA -0.156 nan 4.420 nan 0.000 0.216 144 P C 1.715 179.003 177.300 -0.021 0.000 1.150 144 P CA 1.287 64.342 63.100 -0.074 0.000 0.837 144 P CB 0.002 31.692 31.700 -0.017 0.000 0.786 145 E N -0.135 119.986 120.200 -0.133 0.000 2.031 145 E HA -0.146 4.204 4.350 0.001 0.000 0.193 145 E C 2.017 178.599 176.600 -0.030 0.000 0.994 145 E CA 1.140 57.492 56.400 -0.079 0.000 0.800 145 E CB -0.779 28.823 29.700 -0.165 0.000 0.752 145 E HN 0.199 nan 8.360 nan 0.000 0.447 146 I N -0.127 120.342 120.570 -0.167 0.000 2.151 146 I HA -0.311 3.860 4.170 0.001 0.000 0.243 146 I C 2.424 178.613 176.117 0.119 0.000 1.080 146 I CA 1.131 62.414 61.300 -0.029 0.000 1.339 146 I CB -0.475 37.438 38.000 -0.145 0.000 1.039 146 I HN 0.212 nan 8.210 nan 0.000 0.409 147 W N 1.158 122.448 121.300 -0.016 0.000 2.318 147 W HA -0.206 4.455 4.660 0.001 0.000 0.313 147 W C 2.878 179.403 176.519 0.010 0.000 1.221 147 W CA 1.213 58.553 57.345 -0.010 0.000 1.266 147 W CB -0.955 28.454 29.460 -0.085 0.000 1.150 147 W HN 0.150 nan 8.180 nan 0.000 0.496 148 R N 0.650 121.294 120.500 0.240 0.000 2.092 148 R HA -0.120 4.221 4.340 0.001 0.000 0.231 148 R C 2.232 178.610 176.300 0.130 0.000 1.119 148 R CA 1.078 57.264 56.100 0.143 0.000 0.970 148 R CB -0.466 29.895 30.300 0.103 0.000 0.864 148 R HN 0.153 nan 8.270 nan 0.000 0.440 149 R N 0.186 120.773 120.500 0.145 0.000 2.092 149 R HA -0.052 4.289 4.340 0.001 0.000 0.231 149 R C 2.429 178.814 176.300 0.142 0.000 1.119 149 R CA 1.039 57.222 56.100 0.139 0.000 0.970 149 R CB -0.273 30.127 30.300 0.167 0.000 0.864 149 R HN 0.251 nan 8.270 nan 0.000 0.440 150 L N 0.242 121.570 121.223 0.175 0.000 2.056 150 L HA -0.200 4.140 4.340 0.001 0.000 0.207 150 L C 2.131 179.078 176.870 0.127 0.000 1.078 150 L CA 1.365 56.307 54.840 0.171 0.000 0.749 150 L CB -0.455 41.739 42.059 0.225 0.000 0.901 150 L HN 0.151 nan 8.230 nan 0.000 0.433 151 D N 0.067 120.539 120.400 0.121 0.000 2.144 151 D HA -0.227 4.413 4.640 0.001 0.000 0.199 151 D C 1.785 178.120 176.300 0.059 0.000 0.984 151 D CA 1.069 55.116 54.000 0.078 0.000 0.834 151 D CB -0.002 40.834 40.800 0.059 0.000 0.955 151 D HN 0.167 nan 8.370 nan 0.000 0.465 152 D N -0.575 119.863 120.400 0.064 0.000 2.315 152 D HA -0.113 4.528 4.640 0.001 0.000 0.211 152 D C 1.363 177.690 176.300 0.044 0.000 0.977 152 D CA 1.016 55.046 54.000 0.050 0.000 0.894 152 D CB 0.415 41.248 40.800 0.055 0.000 0.910 152 D HN 0.302 nan 8.370 nan 0.000 0.490 153 V N -4.476 115.470 119.914 0.053 0.000 3.253 153 V HA 0.506 4.626 4.120 0.001 0.000 0.320 153 V C 1.220 177.335 176.094 0.036 0.000 1.442 153 V CA 0.123 62.449 62.300 0.044 0.000 1.097 153 V CB 0.432 32.286 31.823 0.053 0.000 1.008 153 V HN 0.100 nan 8.190 nan 0.000 0.463 154 G N 0.845 109.666 108.800 0.036 0.000 2.141 154 G HA2 -0.212 3.748 3.960 0.001 0.000 0.242 154 G HA3 -0.212 3.748 3.960 0.001 0.000 0.242 154 G C -0.128 174.789 174.900 0.029 0.000 0.982 154 G CA 0.409 45.522 45.100 0.022 0.000 0.662 154 G HN 0.512 nan 8.290 nan 0.000 0.527 155 L N 0.176 121.434 121.223 0.058 0.000 2.358 155 L HA 0.824 5.164 4.340 0.001 0.000 0.268 155 L C 0.600 177.531 176.870 0.102 0.000 1.032 155 L CA -0.828 54.059 54.840 0.077 0.000 0.805 155 L CB 1.642 43.764 42.059 0.104 0.000 1.253 155 L HN 0.539 nan 8.230 nan 0.000 0.452 156 Q N -0.988 118.881 119.800 0.116 0.000 2.575 156 Q HA 0.301 4.641 4.340 0.001 0.000 0.290 156 Q C -0.842 175.276 176.000 0.197 0.000 0.963 156 Q CA -0.609 55.287 55.803 0.155 0.000 0.783 156 Q CB 1.840 30.634 28.738 0.093 0.000 1.467 156 Q HN 0.629 nan 8.270 nan 0.000 0.402 157 T N -2.754 111.988 114.554 0.314 0.000 3.134 157 T HA 0.160 4.511 4.350 0.001 0.000 0.260 157 T C 0.201 175.010 174.700 0.182 0.000 1.027 157 T CA 0.025 62.309 62.100 0.307 0.000 0.913 157 T CB -0.172 68.998 68.868 0.503 0.000 1.046 157 T HN 0.538 nan 8.240 nan 0.000 0.553 158 T N 3.755 118.347 114.554 0.064 0.000 2.866 158 T HA 0.063 4.414 4.350 0.001 0.000 0.293 158 T C 0.502 175.058 174.700 -0.241 0.000 1.005 158 T CA 0.468 62.408 62.100 -0.267 0.000 1.162 158 T CB -0.198 68.539 68.868 -0.218 0.000 0.968 158 T HN 0.586 nan 8.240 nan 0.000 0.530 159 E N 0.205 120.175 120.200 -0.383 0.000 2.494 159 E HA -0.325 4.025 4.350 0.001 0.000 0.249 159 E C 1.223 177.718 176.600 -0.175 0.000 1.184 159 E CA 0.333 56.558 56.400 -0.292 0.000 0.727 159 E CB -1.227 28.359 29.700 -0.190 0.000 1.281 159 E HN 0.794 nan 8.360 nan 0.000 0.405 160 A N -1.052 121.706 122.820 -0.104 0.000 2.014 160 A HA 0.007 4.327 4.320 0.001 0.000 0.218 160 A C 1.209 178.788 177.584 -0.008 0.000 1.163 160 A CA 1.067 53.092 52.037 -0.021 0.000 0.652 160 A CB 0.359 19.385 19.000 0.043 0.000 0.808 160 A HN 0.433 nan 8.150 nan 0.000 0.449 161 C N -3.693 115.558 119.300 -0.082 0.000 3.157 161 C HA 0.797 5.257 4.460 0.001 0.000 0.368 161 C C 0.895 175.650 174.990 -0.392 0.000 1.623 161 C CA -0.029 58.940 59.018 -0.082 0.000 1.530 161 C CB 0.823 28.462 27.740 -0.169 0.000 2.152 161 C HN 1.443 nan 8.230 nan 0.000 0.456 162 G N 1.033 109.574 108.800 -0.432 0.000 2.795 162 G HA2 -0.081 3.879 3.960 0.001 0.000 0.664 162 G HA3 -0.081 3.879 3.960 0.001 0.000 0.664 162 G C -1.164 173.250 174.900 -0.810 0.000 1.381 162 G CA -0.493 44.041 45.100 -0.944 0.000 0.853 162 G HN 0.749 nan 8.290 nan 0.000 0.545 163 D N 1.124 121.015 120.400 -0.848 0.000 2.541 163 D HA 0.432 5.072 4.640 0.001 0.000 0.231 163 D C 0.997 177.174 176.300 -0.205 0.000 1.163 163 D CA 1.266 55.115 54.000 -0.253 0.000 1.077 163 D CB -1.064 39.777 40.800 0.067 0.000 1.110 163 D HN 1.191 nan 8.370 nan 0.000 0.499 164 C N -0.441 118.745 119.300 -0.190 0.000 3.165 164 C HA 0.432 4.892 4.460 0.001 0.000 0.345 164 C C -3.029 171.994 174.990 0.054 0.000 1.367 164 C CA -1.875 57.098 59.018 -0.075 0.000 1.205 164 C CB 0.937 28.558 27.740 -0.199 0.000 1.447 164 C HN 0.098 nan 8.230 nan 0.000 0.451 165 P HA 0.287 nan 4.420 nan 0.000 0.270 165 P C -0.063 177.333 177.300 0.160 0.000 1.242 165 P CA 0.404 63.702 63.100 0.330 0.000 0.768 165 P CB 0.326 32.337 31.700 0.517 0.000 0.820 166 R N 1.970 122.543 120.500 0.122 0.000 2.783 166 R HA 0.200 4.540 4.340 0.001 0.000 0.276 166 R C 0.152 176.477 176.300 0.042 0.000 1.223 166 R CA -0.826 55.301 56.100 0.045 0.000 1.173 166 R CB -0.462 29.851 30.300 0.022 0.000 1.157 166 R HN 0.202 nan 8.270 nan 0.000 0.600 167 V N 1.017 120.939 119.914 0.013 0.000 2.726 167 V HA -0.083 4.037 4.120 0.001 0.000 0.304 167 V C 0.628 176.722 176.094 0.001 0.000 1.115 167 V CA 0.294 62.596 62.300 0.003 0.000 1.264 167 V CB -0.237 31.586 31.823 -0.001 0.000 0.867 167 V HN 0.269 nan 8.190 nan 0.000 0.498 168 V N 6.694 126.597 119.914 -0.019 0.000 2.364 168 V HA 0.276 4.397 4.120 0.001 0.000 0.272 168 V C 0.280 176.358 176.094 -0.027 0.000 1.036 168 V CA -0.419 61.863 62.300 -0.030 0.000 0.880 168 V CB 1.106 32.867 31.823 -0.102 0.000 0.991 168 V HN 0.633 nan 8.190 nan 0.000 0.460 169 L N 5.120 126.334 121.223 -0.014 0.000 2.367 169 L HA 0.579 4.919 4.340 0.001 0.000 0.275 169 L C 0.875 177.745 176.870 -0.001 0.000 1.129 169 L CA 0.266 55.101 54.840 -0.008 0.000 0.839 169 L CB 0.488 42.536 42.059 -0.018 0.000 1.133 169 L HN 0.730 nan 8.230 nan 0.000 0.453 170 G N 1.062 109.865 108.800 0.005 0.000 2.533 170 G HA2 0.376 4.336 3.960 0.001 0.000 0.304 170 G HA3 0.376 4.336 3.960 0.001 0.000 0.304 170 G C -0.600 174.321 174.900 0.035 0.000 1.263 170 G CA -0.507 44.600 45.100 0.011 0.000 0.964 170 G HN 0.545 nan 8.290 nan 0.000 0.479 171 S N 0.950 116.677 115.700 0.046 0.000 2.575 171 S HA 0.103 4.574 4.470 0.001 0.000 0.295 171 S C -1.080 173.539 174.600 0.032 0.000 1.267 171 S CA -0.384 57.861 58.200 0.075 0.000 1.074 171 S CB 0.932 64.177 63.200 0.076 0.000 0.829 171 S HN 0.239 nan 8.310 nan 0.000 0.497 172 P HA 0.025 nan 4.420 nan 0.000 0.226 172 P C 0.405 177.618 177.300 -0.146 0.000 1.146 172 P CA 0.715 63.803 63.100 -0.020 0.000 0.773 172 P CB 0.095 31.828 31.700 0.056 0.000 0.772 173 L N -2.298 118.796 121.223 -0.215 0.000 3.069 173 L HA 0.337 4.677 4.340 0.001 0.000 0.271 173 L C 0.652 177.463 176.870 -0.099 0.000 1.201 173 L CA -0.438 54.268 54.840 -0.223 0.000 1.015 173 L CB -0.372 41.439 42.059 -0.414 0.000 1.371 173 L HN -0.246 nan 8.230 nan 0.000 0.574 174 A N -0.119 122.670 122.820 -0.052 0.000 2.573 174 A HA 0.389 4.709 4.320 0.001 0.000 0.250 174 A C 1.493 179.063 177.584 -0.023 0.000 1.049 174 A CA 1.161 53.186 52.037 -0.019 0.000 0.767 174 A CB -0.540 18.456 19.000 -0.006 0.000 0.965 174 A HN 0.706 nan 8.150 nan 0.000 0.514 175 G N 1.556 110.348 108.800 -0.012 0.000 2.436 175 G HA2 -0.149 3.812 3.960 0.001 0.000 0.204 175 G HA3 -0.149 3.812 3.960 0.001 0.000 0.204 175 G C 0.492 175.384 174.900 -0.013 0.000 1.026 175 G CA 0.436 45.529 45.100 -0.010 0.000 0.658 175 G HN 0.646 nan 8.290 nan 0.000 0.499 176 E N 0.193 120.379 120.200 -0.024 0.000 2.606 176 E HA 0.252 4.602 4.350 0.001 0.000 0.224 176 E C 0.749 177.337 176.600 -0.020 0.000 0.930 176 E CA 0.574 56.960 56.400 -0.024 0.000 1.125 176 E CB 1.047 30.726 29.700 -0.035 0.000 1.123 176 E HN 0.405 nan 8.360 nan 0.000 0.522 177 S N 0.838 116.527 115.700 -0.018 0.000 2.564 177 S HA 0.184 4.654 4.470 0.001 0.000 0.278 177 S C 1.345 175.956 174.600 0.019 0.000 1.333 177 S CA -0.358 57.843 58.200 0.001 0.000 1.048 177 S CB 0.524 63.736 63.200 0.020 0.000 0.900 177 S HN 0.152 nan 8.310 nan 0.000 0.505 178 L N 2.763 124.002 121.223 0.028 0.000 2.291 178 L HA 0.036 4.376 4.340 0.001 0.000 0.214 178 L C 1.143 178.035 176.870 0.038 0.000 1.120 178 L CA 0.734 55.592 54.840 0.029 0.000 0.799 178 L CB -0.239 41.837 42.059 0.028 0.000 0.925 178 L HN 0.606 nan 8.230 nan 0.000 0.446 179 D N -0.370 120.060 120.400 0.050 0.000 2.360 179 D HA -0.020 4.621 4.640 0.001 0.000 0.210 179 D C 0.523 176.857 176.300 0.056 0.000 1.047 179 D CA 0.120 54.153 54.000 0.055 0.000 0.854 179 D CB 0.144 40.983 40.800 0.066 0.000 0.936 179 D HN 0.481 nan 8.370 nan 0.000 0.514 180 E N 0.834 121.066 120.200 0.053 0.000 2.351 180 E HA 0.077 4.427 4.350 0.001 0.000 0.266 180 E C 0.993 177.625 176.600 0.053 0.000 1.031 180 E CA -0.261 56.170 56.400 0.052 0.000 0.911 180 E CB 1.633 31.359 29.700 0.042 0.000 0.986 180 E HN -0.207 nan 8.360 nan 0.000 0.446 181 V N 3.923 123.874 119.914 0.061 0.000 2.392 181 V HA -0.169 3.951 4.120 0.001 0.000 0.249 181 V C 1.106 177.244 176.094 0.074 0.000 1.059 181 V CA 2.143 64.489 62.300 0.076 0.000 1.051 181 V CB -1.407 30.475 31.823 0.097 0.000 0.658 181 V HN 0.778 nan 8.190 nan 0.000 0.455 182 L N -3.461 117.798 121.223 0.060 0.000 3.064 182 L HA 0.655 4.995 4.340 0.001 0.000 0.282 182 L C -1.975 174.915 176.870 0.035 0.000 1.045 182 L CA -0.973 53.895 54.840 0.047 0.000 0.986 182 L CB 1.998 44.087 42.059 0.050 0.000 1.571 182 L HN -0.112 nan 8.230 nan 0.000 0.377 183 D N 1.217 121.632 120.400 0.026 0.000 2.453 183 D HA 0.497 5.137 4.640 0.001 0.000 0.238 183 D C -2.194 174.126 176.300 0.034 0.000 1.088 183 D CA -1.863 52.152 54.000 0.025 0.000 0.854 183 D CB 1.835 42.646 40.800 0.018 0.000 1.076 183 D HN 0.514 nan 8.370 nan 0.000 0.533 184 P HA 0.138 nan 4.420 nan 0.000 0.266 184 P C 0.916 178.252 177.300 0.061 0.000 1.381 184 P CA -0.105 63.026 63.100 0.051 0.000 0.940 184 P CB 0.414 32.127 31.700 0.021 0.000 1.435 185 T N -1.016 113.568 114.554 0.049 0.000 2.721 185 T HA -0.229 4.121 4.350 0.001 0.000 0.268 185 T C 1.247 175.965 174.700 0.029 0.000 1.038 185 T CA 1.582 63.693 62.100 0.019 0.000 1.145 185 T CB -0.955 67.920 68.868 0.013 0.000 0.858 185 T HN 0.273 nan 8.240 nan 0.000 0.459 186 W N 1.966 123.214 121.300 -0.088 0.000 2.321 186 W HA -0.166 4.494 4.660 0.001 0.000 0.306 186 W C 2.542 178.984 176.519 -0.127 0.000 1.217 186 W CA 1.361 58.649 57.345 -0.095 0.000 1.257 186 W CB -0.453 28.960 29.460 -0.078 0.000 1.145 186 W HN 0.252 nan 8.180 nan 0.000 0.509 187 A N 0.117 122.984 122.820 0.079 0.000 1.969 187 A HA -0.134 4.186 4.320 0.001 0.000 0.218 187 A C 1.956 179.313 177.584 -0.378 0.000 1.169 187 A CA 1.754 53.665 52.037 -0.209 0.000 0.635 187 A CB -0.866 18.097 19.000 -0.061 0.000 0.810 187 A HN 0.429 nan 8.150 nan 0.000 0.445 188 I N -0.715 119.691 120.570 -0.274 0.000 2.163 188 I HA -0.239 3.931 4.170 0.001 0.000 0.240 188 I C 2.492 178.408 176.117 -0.335 0.000 1.081 188 I CA 1.598 62.724 61.300 -0.289 0.000 1.353 188 I CB -0.517 37.377 38.000 -0.177 0.000 1.054 188 I HN 0.375 nan 8.210 nan 0.000 0.407 189 E N 0.580 120.590 120.200 -0.317 0.000 2.085 189 E HA -0.236 4.115 4.350 0.001 0.000 0.194 189 E C 2.103 178.441 176.600 -0.437 0.000 0.994 189 E CA 1.096 57.301 56.400 -0.325 0.000 0.801 189 E CB 0.026 29.564 29.700 -0.270 0.000 0.743 189 E HN 0.347 nan 8.360 nan 0.000 0.453 190 E N 0.232 120.046 120.200 -0.644 0.000 2.204 190 E HA -0.141 4.209 4.350 0.001 0.000 0.194 190 E C 2.046 178.295 176.600 -0.584 0.000 0.989 190 E CA 0.707 56.680 56.400 -0.711 0.000 0.824 190 E CB -0.019 29.011 29.700 -1.117 0.000 0.756 190 E HN 0.410 nan 8.360 nan 0.000 0.477 191 I N 0.049 120.293 120.570 -0.542 0.000 2.353 191 I HA -0.182 3.988 4.170 0.001 0.000 0.248 191 I C 2.335 178.197 176.117 -0.426 0.000 1.119 191 I CA 0.367 61.341 61.300 -0.542 0.000 1.417 191 I CB -0.144 37.362 38.000 -0.823 0.000 1.078 191 I HN -0.084 nan 8.210 nan 0.000 0.421 192 V N 1.103 120.805 119.914 -0.354 0.000 2.237 192 V HA -0.296 3.824 4.120 0.001 0.000 0.245 192 V C 2.684 178.649 176.094 -0.215 0.000 1.046 192 V CA 2.071 64.230 62.300 -0.234 0.000 1.007 192 V CB -0.691 31.019 31.823 -0.188 0.000 0.638 192 V HN 0.418 nan 8.190 nan 0.000 0.445 193 R N -0.502 119.844 120.500 -0.256 0.000 2.096 193 R HA -0.136 4.204 4.340 0.001 0.000 0.235 193 R C 2.488 178.639 176.300 -0.249 0.000 1.127 193 R CA 1.432 57.399 56.100 -0.221 0.000 0.968 193 R CB -0.088 30.073 30.300 -0.231 0.000 0.861 193 R HN 0.392 nan 8.270 nan 0.000 0.440 194 R N -1.089 119.162 120.500 -0.414 0.000 2.090 194 R HA -0.046 4.294 4.340 0.001 0.000 0.219 194 R C 1.213 177.212 176.300 -0.501 0.000 1.100 194 R CA 1.256 56.998 56.100 -0.597 0.000 0.991 194 R CB 0.113 29.782 30.300 -1.052 0.000 0.893 194 R HN 0.346 nan 8.270 nan 0.000 0.443 195 Y N -0.818 119.502 120.300 0.033 0.000 2.423 195 Y HA 0.300 4.851 4.550 0.001 0.000 0.257 195 Y C 0.601 176.586 175.900 0.140 0.000 1.087 195 Y CA -0.914 57.295 58.100 0.182 0.000 1.258 195 Y CB 0.510 39.194 38.460 0.374 0.000 1.237 195 Y HN -0.220 nan 8.280 nan 0.000 0.517 196 I N 1.937 122.582 120.570 0.125 0.000 2.581 196 I HA 0.204 4.374 4.170 0.001 0.000 0.285 196 I C 1.371 177.506 176.117 0.029 0.000 1.129 196 I CA 1.059 62.397 61.300 0.064 0.000 1.397 196 I CB -0.029 37.957 38.000 -0.024 0.000 1.399 196 I HN 0.638 nan 8.210 nan 0.000 0.537 197 G N 6.295 115.111 108.800 0.026 0.000 2.234 197 G HA2 -0.201 3.759 3.960 0.001 0.000 0.235 197 G HA3 -0.201 3.759 3.960 0.001 0.000 0.235 197 G C 0.392 175.323 174.900 0.051 0.000 0.997 197 G CA -0.472 44.621 45.100 -0.012 0.000 0.623 197 G HN 0.477 nan 8.290 nan 0.000 0.514 198 K N 1.144 121.611 120.400 0.113 0.000 2.144 198 K HA 0.397 4.717 4.320 0.001 0.000 0.270 198 K C -1.406 175.275 176.600 0.135 0.000 1.005 198 K CA -1.323 55.042 56.287 0.128 0.000 0.932 198 K CB 2.063 34.673 32.500 0.183 0.000 1.021 198 K HN 0.124 nan 8.250 nan 0.000 0.462 199 P HA -0.111 nan 4.420 nan 0.000 0.222 199 P C -0.010 177.296 177.300 0.010 0.000 1.153 199 P CA 1.043 64.176 63.100 0.055 0.000 0.798 199 P CB 0.218 31.931 31.700 0.022 0.000 0.796 200 D N 0.384 120.746 120.400 -0.064 0.000 2.154 200 D HA -0.207 4.433 4.640 0.001 0.000 0.190 200 D C 0.685 176.710 176.300 -0.457 0.000 1.003 200 D CA 1.446 55.248 54.000 -0.331 0.000 0.849 200 D CB -0.853 39.631 40.800 -0.527 0.000 0.942 200 D HN 0.263 nan 8.370 nan 0.000 0.446 201 F N -0.738 119.251 119.950 0.065 0.000 2.772 201 F HA 0.534 5.061 4.527 0.000 0.000 0.302 201 F C 1.334 177.169 175.800 0.058 0.000 1.136 201 F CA -0.497 57.509 58.000 0.011 0.000 1.322 201 F CB 0.334 39.334 39.000 -0.001 0.000 0.967 201 F HN -0.065 nan 8.300 nan 0.000 0.513 202 A N -1.252 121.696 122.820 0.214 0.000 2.308 202 A HA 0.113 4.433 4.320 0.001 0.000 0.217 202 A C 0.301 178.103 177.584 0.364 0.000 1.216 202 A CA 0.281 52.481 52.037 0.272 0.000 0.864 202 A CB 0.024 19.155 19.000 0.220 0.000 0.902 202 A HN 0.135 nan 8.150 nan 0.000 0.499 203 D N 0.603 121.151 120.400 0.247 0.000 2.440 203 D HA 0.515 5.155 4.640 0.001 0.000 0.252 203 D C -1.097 175.236 176.300 0.055 0.000 1.180 203 D CA 0.008 54.165 54.000 0.262 0.000 0.894 203 D CB 0.502 41.497 40.800 0.325 0.000 1.111 203 D HN 0.166 nan 8.370 nan 0.000 0.544 204 L N 4.015 125.228 121.223 -0.016 0.000 2.341 204 L HA 0.432 4.772 4.340 0.001 0.000 0.267 204 L C -1.491 175.164 176.870 -0.358 0.000 1.009 204 L CA -2.349 52.296 54.840 -0.325 0.000 0.819 204 L CB 2.238 44.133 42.059 -0.273 0.000 1.323 204 L HN 0.077 nan 8.230 nan 0.000 0.425 205 P HA -0.101 nan 4.420 nan 0.000 0.215 205 P C -0.135 177.088 177.300 -0.128 0.000 1.163 205 P CA 1.539 64.378 63.100 -0.435 0.000 0.894 205 P CB 0.262 31.572 31.700 -0.650 0.000 0.791 206 R N -2.692 117.801 120.500 -0.012 0.000 2.716 206 R HA 0.213 4.554 4.340 0.001 0.000 0.271 206 R C -0.765 175.683 176.300 0.247 0.000 1.028 206 R CA -1.050 55.148 56.100 0.162 0.000 0.883 206 R CB 1.404 31.835 30.300 0.219 0.000 1.250 206 R HN -0.130 nan 8.270 nan 0.000 0.465 207 K N 0.852 121.332 120.400 0.134 0.000 2.572 207 K HA -0.226 4.094 4.320 0.001 0.000 0.273 207 K C -1.043 175.701 176.600 0.240 0.000 0.990 207 K CA 0.959 57.318 56.287 0.120 0.000 1.097 207 K CB 0.104 32.639 32.500 0.060 0.000 0.819 207 K HN 0.445 nan 8.250 nan 0.000 0.482 208 Y N 2.020 122.358 120.300 0.064 0.000 2.332 208 Y HA 0.308 4.859 4.550 0.000 0.000 0.326 208 Y C -1.004 174.909 175.900 0.022 0.000 0.978 208 Y CA -1.036 57.086 58.100 0.037 0.000 1.205 208 Y CB 1.521 40.047 38.460 0.109 0.000 1.131 208 Y HN 0.533 nan 8.280 nan 0.000 0.462 209 K N 3.999 124.236 120.400 -0.271 0.000 2.185 209 K HA 0.536 4.856 4.320 0.001 0.000 0.269 209 K C -0.818 175.597 176.600 -0.308 0.000 0.987 209 K CA -0.551 55.609 56.287 -0.211 0.000 0.865 209 K CB 1.458 33.866 32.500 -0.153 0.000 1.090 209 K HN 0.557 nan 8.250 nan 0.000 0.450 210 T N 1.445 115.939 114.554 -0.100 0.000 2.824 210 T HA 0.599 4.949 4.350 0.001 0.000 0.282 210 T C -1.126 173.596 174.700 0.036 0.000 0.993 210 T CA -0.708 61.413 62.100 0.035 0.000 0.967 210 T CB 1.572 70.631 68.868 0.319 0.000 0.960 210 T HN 0.624 nan 8.240 nan 0.000 0.441 211 A N 3.537 126.389 122.820 0.052 0.000 2.356 211 A HA 0.883 5.203 4.320 0.001 0.000 0.310 211 A C -0.969 176.680 177.584 0.108 0.000 1.075 211 A CA -0.686 51.376 52.037 0.042 0.000 0.746 211 A CB 0.732 19.729 19.000 -0.006 0.000 1.221 211 A HN 0.840 nan 8.150 nan 0.000 0.443 212 I N 1.540 122.160 120.570 0.084 0.000 2.512 212 I HA 0.561 4.731 4.170 0.001 0.000 0.287 212 I C -0.179 175.967 176.117 0.048 0.000 1.069 212 I CA -0.239 61.128 61.300 0.112 0.000 1.056 212 I CB 2.198 40.242 38.000 0.072 0.000 1.229 212 I HN 0.591 nan 8.210 nan 0.000 0.429 213 S N 2.801 118.526 115.700 0.042 0.000 2.550 213 S HA 0.588 5.058 4.470 0.001 0.000 0.270 213 S C 0.506 175.120 174.600 0.025 0.000 1.145 213 S CA -0.165 58.051 58.200 0.026 0.000 0.852 213 S CB 1.773 64.986 63.200 0.023 0.000 1.119 213 S HN 0.801 nan 8.310 nan 0.000 0.465 214 G N 1.474 110.294 108.800 0.033 0.000 2.920 214 G HA2 0.317 4.277 3.960 0.001 0.000 0.208 214 G HA3 0.317 4.277 3.960 0.001 0.000 0.208 214 G C -0.011 174.914 174.900 0.042 0.000 1.159 214 G CA 0.279 45.403 45.100 0.040 0.000 0.784 214 G HN 0.523 nan 8.290 nan 0.000 0.535 215 L N -1.263 119.983 121.223 0.040 0.000 2.327 215 L HA 0.374 4.714 4.340 0.001 0.000 0.258 215 L C -0.191 176.685 176.870 0.009 0.000 1.024 215 L CA -0.884 53.985 54.840 0.047 0.000 0.825 215 L CB 2.273 44.399 42.059 0.112 0.000 1.386 215 L HN -0.138 nan 8.230 nan 0.000 0.417 216 Q N 1.556 121.362 119.800 0.009 0.000 3.122 216 Q HA 0.057 4.398 4.340 0.001 0.000 0.360 216 Q C -0.781 175.266 176.000 0.079 0.000 1.300 216 Q CA -0.095 55.722 55.803 0.024 0.000 0.982 216 Q CB -0.108 28.654 28.738 0.039 0.000 1.534 216 Q HN 0.445 nan 8.270 nan 0.000 0.474 217 D N -0.908 119.553 120.400 0.102 0.000 2.720 217 D HA 0.021 4.661 4.640 0.001 0.000 0.285 217 D C 0.621 177.039 176.300 0.197 0.000 1.359 217 D CA -0.204 53.888 54.000 0.153 0.000 0.818 217 D CB 0.124 41.012 40.800 0.147 0.000 1.108 217 D HN 0.175 nan 8.370 nan 0.000 0.474 218 V N -4.334 115.664 119.914 0.141 0.000 3.392 218 V HA 0.665 4.786 4.120 0.001 0.000 0.294 218 V C 1.078 177.160 176.094 -0.020 0.000 1.561 218 V CA -0.117 62.215 62.300 0.053 0.000 1.056 218 V CB -0.158 31.685 31.823 0.034 0.000 0.882 218 V HN 0.348 nan 8.190 nan 0.000 0.440 219 A N 1.915 124.739 122.820 0.008 0.000 2.846 219 A HA -0.277 4.044 4.320 0.001 0.000 0.287 219 A C 1.170 178.635 177.584 -0.199 0.000 1.469 219 A CA 1.702 53.669 52.037 -0.116 0.000 0.757 219 A CB -2.832 16.051 19.000 -0.194 0.000 1.033 219 A HN 1.522 nan 8.150 nan 0.000 0.516 220 H N -2.141 116.781 119.070 -0.247 0.000 2.457 220 H HA 0.037 4.593 4.556 0.001 0.000 0.297 220 H C 1.303 176.439 175.328 -0.321 0.000 1.092 220 H CA 1.420 57.271 56.048 -0.329 0.000 1.309 220 H CB -0.211 29.235 29.762 -0.528 0.000 1.382 220 H HN 0.643 nan 8.280 nan 0.000 0.535 221 E N 0.906 120.637 120.200 -0.781 0.000 2.396 221 E HA -0.082 4.269 4.350 0.001 0.000 0.200 221 E C 1.189 177.671 176.600 -0.196 0.000 1.023 221 E CA 1.491 57.607 56.400 -0.474 0.000 0.857 221 E CB -0.045 29.361 29.700 -0.490 0.000 0.775 221 E HN 0.951 nan 8.360 nan 0.000 0.525 222 I N -3.531 116.930 120.570 -0.182 0.000 3.966 222 I HA 0.273 4.443 4.170 0.001 0.000 0.324 222 I C -0.159 175.875 176.117 -0.138 0.000 1.517 222 I CA -0.545 60.685 61.300 -0.117 0.000 1.117 222 I CB 0.394 38.345 38.000 -0.082 0.000 1.190 222 I HN -0.206 nan 8.210 nan 0.000 0.466 223 N N 1.957 120.566 118.700 -0.151 0.000 2.492 223 N HA 0.155 4.895 4.740 0.001 0.000 0.289 223 N C -0.048 175.319 175.510 -0.237 0.000 1.133 223 N CA -0.481 52.462 53.050 -0.178 0.000 0.961 223 N CB 1.499 39.896 38.487 -0.150 0.000 1.186 223 N HN 0.178 nan 8.380 nan 0.000 0.493 224 D N 0.194 120.386 120.400 -0.345 0.000 2.104 224 D HA -0.101 4.539 4.640 0.001 0.000 0.194 224 D C 0.288 176.323 176.300 -0.442 0.000 0.994 224 D CA 1.548 55.265 54.000 -0.472 0.000 0.830 224 D CB 0.423 40.788 40.800 -0.726 0.000 0.959 224 D HN 0.080 nan 8.370 nan 0.000 0.452 225 V N -0.443 119.207 119.914 -0.440 0.000 2.709 225 V HA 0.620 4.740 4.120 0.001 0.000 0.308 225 V C -1.438 174.573 176.094 -0.138 0.000 1.062 225 V CA -0.531 61.605 62.300 -0.273 0.000 0.901 225 V CB 1.847 33.529 31.823 -0.236 0.000 1.003 225 V HN 0.151 nan 8.190 nan 0.000 0.425 226 A N 5.540 128.247 122.820 -0.188 0.000 2.449 226 A HA 0.921 5.241 4.320 0.001 0.000 0.302 226 A C -1.642 175.741 177.584 -0.336 0.000 1.048 226 A CA -0.408 51.554 52.037 -0.125 0.000 0.708 226 A CB 1.497 20.441 19.000 -0.093 0.000 1.274 226 A HN 0.714 nan 8.150 nan 0.000 0.410 227 F N 1.778 121.755 119.950 0.044 0.000 2.496 227 F HA 0.593 5.121 4.527 0.001 0.000 0.341 227 F C -0.361 175.410 175.800 -0.047 0.000 1.134 227 F CA -0.421 57.606 58.000 0.045 0.000 0.968 227 F CB 1.720 40.748 39.000 0.048 0.000 1.205 227 F HN 0.318 nan 8.300 nan 0.000 0.436 228 I N 1.890 122.499 120.570 0.066 0.000 2.530 228 I HA 0.544 4.715 4.170 0.001 0.000 0.297 228 I C 0.567 176.713 176.117 0.048 0.000 1.011 228 I CA -0.691 60.562 61.300 -0.079 0.000 1.107 228 I CB 1.878 39.611 38.000 -0.444 0.000 1.285 228 I HN 0.598 nan 8.210 nan 0.000 0.436 229 G N 4.347 113.167 108.800 0.035 0.000 2.398 229 G HA2 0.458 4.418 3.960 0.001 0.000 0.246 229 G HA3 0.458 4.418 3.960 0.001 0.000 0.246 229 G C -0.974 174.006 174.900 0.133 0.000 1.289 229 G CA -0.041 45.111 45.100 0.087 0.000 0.869 229 G HN 0.596 nan 8.290 nan 0.000 0.543 230 V N 3.349 123.391 119.914 0.213 0.000 2.817 230 V HA 0.374 4.494 4.120 0.001 0.000 0.303 230 V C -1.135 175.159 176.094 0.334 0.000 1.151 230 V CA -1.326 61.131 62.300 0.261 0.000 0.929 230 V CB 2.038 34.053 31.823 0.320 0.000 1.030 230 V HN 0.727 nan 8.190 nan 0.000 0.427 231 N N 4.032 122.865 118.700 0.221 0.000 2.402 231 N HA 0.206 4.946 4.740 0.001 0.000 0.252 231 N C -0.482 175.108 175.510 0.133 0.000 1.118 231 N CA 0.078 53.246 53.050 0.197 0.000 0.945 231 N CB 0.536 39.089 38.487 0.109 0.000 1.147 231 N HN 0.876 nan 8.380 nan 0.000 0.495 232 H N 3.479 122.553 119.070 0.006 0.000 2.899 232 H HA 0.102 4.658 4.556 0.001 0.000 0.303 232 H C -1.299 173.902 175.328 -0.210 0.000 1.042 232 H CA -1.047 54.834 56.048 -0.279 0.000 1.479 232 H CB 1.097 30.267 29.762 -0.986 0.000 1.493 232 H HN 0.403 nan 8.280 nan 0.000 0.534 233 P HA -0.161 nan 4.420 nan 0.000 0.219 233 P C 0.900 178.142 177.300 -0.096 0.000 1.146 233 P CA 1.235 64.246 63.100 -0.148 0.000 0.808 233 P CB 0.361 31.953 31.700 -0.180 0.000 0.779 234 E N -1.590 118.605 120.200 -0.008 0.000 2.110 234 E HA -0.070 4.280 4.350 0.001 0.000 0.193 234 E C 1.338 177.710 176.600 -0.380 0.000 0.950 234 E CA 0.375 56.642 56.400 -0.221 0.000 0.840 234 E CB 0.007 29.464 29.700 -0.405 0.000 0.809 234 E HN 0.353 nan 8.360 nan 0.000 0.465 235 H N 0.015 118.888 119.070 -0.329 0.000 2.526 235 H HA 0.228 4.784 4.556 0.000 0.000 0.274 235 H C 1.001 176.148 175.328 -0.301 0.000 0.999 235 H CA 0.588 56.298 56.048 -0.562 0.000 1.157 235 H CB 0.691 29.681 29.762 -1.288 0.000 1.407 235 H HN 0.308 nan 8.280 nan 0.000 0.568 236 G N 1.620 110.393 108.800 -0.046 0.000 2.632 236 G HA2 -0.223 3.737 3.960 0.001 0.000 0.224 236 G HA3 -0.223 3.737 3.960 0.001 0.000 0.224 236 G C -2.690 172.390 174.900 0.300 0.000 1.341 236 G CA -1.119 44.048 45.100 0.112 0.000 0.880 236 G HN 0.098 nan 8.290 nan 0.000 0.566 237 P HA 0.483 nan 4.420 nan 0.000 0.266 237 P C 0.590 178.170 177.300 0.467 0.000 1.215 237 P CA 1.324 64.624 63.100 0.335 0.000 0.763 237 P CB 0.926 32.737 31.700 0.185 0.000 0.806 238 G N 2.257 111.367 108.800 0.516 0.000 2.731 238 G HA2 0.627 4.587 3.960 0.001 0.000 0.309 238 G HA3 0.627 4.587 3.960 0.001 0.000 0.309 238 G C -2.024 172.824 174.900 -0.086 0.000 1.273 238 G CA -0.712 44.419 45.100 0.052 0.000 0.798 238 G HN 0.328 nan 8.290 nan 0.000 0.509 239 L N 0.772 121.753 121.223 -0.404 0.000 2.356 239 L HA 0.452 4.792 4.340 0.001 0.000 0.277 239 L C -0.988 175.889 176.870 0.012 0.000 0.996 239 L CA -0.663 54.138 54.840 -0.065 0.000 0.822 239 L CB 2.080 44.188 42.059 0.082 0.000 1.256 239 L HN 0.476 nan 8.230 nan 0.000 0.413 240 D N 2.292 122.803 120.400 0.185 0.000 2.308 240 D HA 0.313 4.953 4.640 0.001 0.000 0.251 240 D C -0.882 175.570 176.300 0.253 0.000 1.127 240 D CA -0.272 53.878 54.000 0.250 0.000 0.876 240 D CB 1.360 42.370 40.800 0.350 0.000 1.176 240 D HN 0.268 nan 8.370 nan 0.000 0.446 241 L N 5.579 126.862 121.223 0.101 0.000 2.260 241 L HA 0.455 4.796 4.340 0.001 0.000 0.289 241 L C -1.524 175.320 176.870 -0.044 0.000 1.057 241 L CA -0.393 54.396 54.840 -0.086 0.000 0.811 241 L CB 0.179 42.187 42.059 -0.084 0.000 1.184 241 L HN 0.347 nan 8.230 nan 0.000 0.429 242 W N 4.693 125.825 121.300 -0.280 0.000 2.606 242 W HA 0.735 5.395 4.660 0.000 0.000 0.332 242 W C -0.758 175.612 176.519 -0.249 0.000 1.052 242 W CA -0.692 56.545 57.345 -0.181 0.000 1.223 242 W CB 1.712 31.123 29.460 -0.082 0.000 1.383 242 W HN 0.231 nan 8.180 nan 0.000 0.524 243 V N 1.518 121.400 119.914 -0.053 0.000 2.888 243 V HA 0.730 4.850 4.120 0.001 0.000 0.309 243 V C 0.291 176.228 176.094 -0.262 0.000 1.114 243 V CA -0.336 61.818 62.300 -0.243 0.000 0.940 243 V CB 1.878 33.416 31.823 -0.476 0.000 1.021 243 V HN 0.861 nan 8.190 nan 0.000 0.426 244 G N 3.286 111.900 108.800 -0.311 0.000 2.167 244 G HA2 -0.052 3.908 3.960 0.001 0.000 0.194 244 G HA3 -0.052 3.908 3.960 0.001 0.000 0.194 244 G C 0.361 175.124 174.900 -0.229 0.000 1.027 244 G CA 0.063 44.976 45.100 -0.313 0.000 0.717 244 G HN 1.388 nan 8.290 nan 0.000 0.501 245 G N -0.905 107.776 108.800 -0.199 0.000 2.588 245 G HA2 0.909 4.869 3.960 0.001 0.000 0.278 245 G HA3 0.909 4.869 3.960 0.001 0.000 0.278 245 G C 0.614 175.406 174.900 -0.181 0.000 1.307 245 G CA 0.366 45.378 45.100 -0.146 0.000 1.016 245 G HN 1.953 nan 8.290 nan 0.000 0.503 246 G N -2.244 106.475 108.800 -0.135 0.000 2.326 246 G HA2 0.229 4.189 3.960 0.001 0.000 0.478 246 G HA3 0.229 4.189 3.960 0.001 0.000 0.478 246 G C -0.295 174.527 174.900 -0.129 0.000 1.551 246 G CA -0.464 44.546 45.100 -0.151 0.000 0.946 246 G HN 0.920 nan 8.290 nan 0.000 0.671 247 L N 0.854 122.004 121.223 -0.122 0.000 3.327 247 L HA 0.217 4.558 4.340 0.001 0.000 0.299 247 L C 2.287 179.075 176.870 -0.136 0.000 1.201 247 L CA 0.717 55.482 54.840 -0.125 0.000 1.059 247 L CB 0.603 42.620 42.059 -0.071 0.000 1.488 247 L HN 0.683 nan 8.230 nan 0.000 0.609 248 S N 0.828 116.468 115.700 -0.100 0.000 2.537 248 S HA -0.169 4.301 4.470 0.001 0.000 0.214 248 S C 1.555 176.124 174.600 -0.053 0.000 1.157 248 S CA 2.545 60.713 58.200 -0.053 0.000 1.500 248 S CB -0.029 63.168 63.200 -0.005 0.000 1.050 248 S HN 0.502 nan 8.310 nan 0.000 0.387 249 T N -1.004 113.540 114.554 -0.015 0.000 3.044 249 T HA 0.368 4.718 4.350 0.001 0.000 0.260 249 T C 0.169 174.857 174.700 -0.021 0.000 1.019 249 T CA -0.330 61.769 62.100 -0.001 0.000 0.921 249 T CB -0.063 68.832 68.868 0.046 0.000 1.053 249 T HN 0.271 nan 8.240 nan 0.000 0.533 250 N N 2.706 121.367 118.700 -0.064 0.000 2.752 250 N HA 0.329 5.069 4.740 0.001 0.000 0.260 250 N C -3.352 172.001 175.510 -0.262 0.000 1.562 250 N CA -1.617 51.365 53.050 -0.112 0.000 0.788 250 N CB 1.548 40.038 38.487 0.004 0.000 1.192 250 N HN 0.116 nan 8.380 nan 0.000 0.503 251 P HA 0.319 nan 4.420 nan 0.000 0.282 251 P C -0.581 176.397 177.300 -0.537 0.000 1.274 251 P CA -0.003 62.746 63.100 -0.585 0.000 0.770 251 P CB 0.758 31.836 31.700 -1.037 0.000 0.867 252 M N 3.069 122.575 119.600 -0.157 0.000 2.327 252 M HA 0.350 4.831 4.480 0.001 0.000 0.298 252 M C -0.357 176.070 176.300 0.212 0.000 1.065 252 M CA -0.780 54.569 55.300 0.081 0.000 0.916 252 M CB 2.253 34.782 32.600 -0.119 0.000 1.630 252 M HN 0.089 nan 8.290 nan 0.000 0.442 253 L N 2.755 124.130 121.223 0.253 0.000 2.410 253 L HA 0.387 4.728 4.340 0.001 0.000 0.273 253 L C 0.693 177.577 176.870 0.024 0.000 1.144 253 L CA -0.480 54.399 54.840 0.065 0.000 0.863 253 L CB 0.831 42.855 42.059 -0.058 0.000 1.140 253 L HN 0.828 nan 8.230 nan 0.000 0.463 254 A N 4.858 127.691 122.820 0.022 0.000 2.520 254 A HA 0.187 4.508 4.320 0.001 0.000 0.235 254 A C -0.064 177.625 177.584 0.175 0.000 1.065 254 A CA 0.106 52.175 52.037 0.054 0.000 0.764 254 A CB 0.194 19.240 19.000 0.076 0.000 1.002 254 A HN 0.776 nan 8.150 nan 0.000 0.502 255 Q N 0.821 120.641 119.800 0.034 0.000 2.342 255 Q HA 0.316 4.657 4.340 0.001 0.000 0.267 255 Q C -0.572 175.212 176.000 -0.361 0.000 1.038 255 Q CA -0.838 54.892 55.803 -0.122 0.000 0.832 255 Q CB 1.959 30.617 28.738 -0.135 0.000 1.323 255 Q HN 0.748 nan 8.270 nan 0.000 0.448 256 R N 1.135 121.164 120.500 -0.786 0.000 2.502 256 R HA -0.021 4.319 4.340 0.001 0.000 0.292 256 R C 0.640 176.689 176.300 -0.419 0.000 0.998 256 R CA 0.021 55.544 56.100 -0.962 0.000 1.056 256 R CB 0.413 30.175 30.300 -0.897 0.000 0.939 256 R HN 0.470 nan 8.270 nan 0.000 0.411 257 V N 1.976 121.714 119.914 -0.293 0.000 3.041 257 V HA -0.013 4.107 4.120 0.001 0.000 0.260 257 V C 1.534 177.597 176.094 -0.052 0.000 1.105 257 V CA 1.661 63.914 62.300 -0.078 0.000 1.125 257 V CB -0.149 31.700 31.823 0.042 0.000 0.730 257 V HN 1.193 nan 8.190 nan 0.000 0.479 258 G N -0.162 108.576 108.800 -0.103 0.000 2.131 258 G HA2 -0.038 3.922 3.960 0.001 0.000 0.223 258 G HA3 -0.038 3.922 3.960 0.001 0.000 0.223 258 G C 0.050 174.980 174.900 0.049 0.000 0.990 258 G CA 0.143 45.220 45.100 -0.039 0.000 0.671 258 G HN 1.100 nan 8.290 nan 0.000 0.521 259 A N -0.810 122.054 122.820 0.074 0.000 2.365 259 A HA 0.723 5.044 4.320 0.001 0.000 0.318 259 A C -0.719 177.016 177.584 0.252 0.000 1.091 259 A CA -0.466 51.667 52.037 0.160 0.000 0.763 259 A CB 1.283 20.359 19.000 0.126 0.000 1.248 259 A HN 1.240 nan 8.150 nan 0.000 0.442 260 W N 2.809 124.183 121.300 0.123 0.000 2.469 260 W HA 0.599 5.259 4.660 0.000 0.000 0.320 260 W C -1.412 175.167 176.519 0.101 0.000 1.086 260 W CA -0.291 57.146 57.345 0.153 0.000 1.211 260 W CB 1.478 31.083 29.460 0.242 0.000 1.298 260 W HN 0.489 nan 8.180 nan 0.000 0.525 261 V N 8.645 128.230 119.914 -0.549 0.000 2.531 261 V HA 0.398 4.518 4.120 0.001 0.000 0.301 261 V C -1.803 173.628 176.094 -1.106 0.000 1.034 261 V CA -2.149 59.819 62.300 -0.554 0.000 0.865 261 V CB 1.752 33.528 31.823 -0.078 0.000 0.995 261 V HN 0.451 nan 8.190 nan 0.000 0.424 262 P HA 0.081 nan 4.420 nan 0.000 0.271 262 P C 0.781 177.894 177.300 -0.312 0.000 1.218 262 P CA -0.241 62.486 63.100 -0.621 0.000 0.780 262 P CB 1.331 32.894 31.700 -0.228 0.000 0.901 263 L N 4.295 125.387 121.223 -0.219 0.000 2.021 263 L HA -0.150 4.190 4.340 0.001 0.000 0.215 263 L C 2.457 179.299 176.870 -0.046 0.000 1.074 263 L CA 2.822 57.587 54.840 -0.125 0.000 0.760 263 L CB -1.853 40.138 42.059 -0.113 0.000 0.889 263 L HN 0.574 nan 8.230 nan 0.000 0.433 264 G N -1.517 107.190 108.800 -0.155 0.000 2.462 264 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 264 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 264 G C 1.426 176.415 174.900 0.148 0.000 1.121 264 G CA 0.815 45.851 45.100 -0.107 0.000 0.758 264 G HN 0.589 nan 8.290 nan 0.000 0.559 265 E N -0.297 119.930 120.200 0.046 0.000 2.472 265 E HA 0.113 4.464 4.350 0.001 0.000 0.196 265 E C 2.388 179.012 176.600 0.041 0.000 1.033 265 E CA -0.283 56.153 56.400 0.059 0.000 0.886 265 E CB 0.451 30.162 29.700 0.018 0.000 0.944 265 E HN 0.294 nan 8.360 nan 0.000 0.492 266 V N 1.790 121.682 119.914 -0.036 0.000 2.407 266 V HA -0.188 3.933 4.120 0.001 0.000 0.248 266 V C -0.864 175.129 176.094 -0.168 0.000 1.055 266 V CA 1.852 63.993 62.300 -0.264 0.000 1.049 266 V CB -1.263 30.270 31.823 -0.484 0.000 0.662 266 V HN 0.222 nan 8.190 nan 0.000 0.455 267 P HA -0.140 nan 4.420 nan 0.000 0.216 267 P C 1.679 179.182 177.300 0.339 0.000 1.153 267 P CA 1.388 64.558 63.100 0.116 0.000 0.844 267 P CB 0.028 31.722 31.700 -0.010 0.000 0.787 268 E N 0.218 120.575 120.200 0.261 0.000 2.031 268 E HA -0.150 4.200 4.350 0.001 0.000 0.193 268 E C 1.810 178.545 176.600 0.224 0.000 0.994 268 E CA 1.538 58.097 56.400 0.265 0.000 0.800 268 E CB -0.607 29.215 29.700 0.204 0.000 0.752 268 E HN -0.073 nan 8.360 nan 0.000 0.447 269 V N 0.557 120.596 119.914 0.208 0.000 2.255 269 V HA -0.256 3.864 4.120 0.001 0.000 0.247 269 V C 2.091 178.369 176.094 0.307 0.000 1.051 269 V CA 2.247 64.690 62.300 0.240 0.000 1.018 269 V CB -0.970 31.019 31.823 0.277 0.000 0.641 269 V HN 0.523 nan 8.190 nan 0.000 0.445 270 W N 1.011 122.414 121.300 0.171 0.000 2.298 270 W HA -0.359 4.301 4.660 0.001 0.000 0.328 270 W C 2.552 179.032 176.519 -0.065 0.000 1.259 270 W CA 2.987 60.435 57.345 0.172 0.000 1.251 270 W CB -0.670 28.824 29.460 0.057 0.000 1.161 270 W HN 0.205 nan 8.180 nan 0.000 0.466 271 A N 0.286 123.143 122.820 0.061 0.000 1.986 271 A HA -0.144 4.176 4.320 0.001 0.000 0.220 271 A C 2.008 179.413 177.584 -0.297 0.000 1.171 271 A CA 2.823 54.544 52.037 -0.526 0.000 0.640 271 A CB -1.509 17.205 19.000 -0.477 0.000 0.811 271 A HN 0.529 nan 8.150 nan 0.000 0.451 272 A N -0.742 122.028 122.820 -0.084 0.000 1.872 272 A HA 0.071 4.392 4.320 0.001 0.000 0.214 272 A C 2.163 179.621 177.584 -0.211 0.000 1.187 272 A CA 1.517 53.513 52.037 -0.068 0.000 0.614 272 A CB -0.900 18.142 19.000 0.068 0.000 0.826 272 A HN 0.429 nan 8.150 nan 0.000 0.442 273 V N 0.442 120.275 119.914 -0.135 0.000 2.469 273 V HA -0.228 3.892 4.120 0.001 0.000 0.251 273 V C 2.639 178.619 176.094 -0.189 0.000 1.064 273 V CA 2.413 64.691 62.300 -0.037 0.000 1.066 273 V CB -1.305 30.562 31.823 0.073 0.000 0.667 273 V HN 0.645 nan 8.190 nan 0.000 0.461 274 T N -1.067 113.160 114.554 -0.546 0.000 2.896 274 T HA -0.110 4.241 4.350 0.001 0.000 0.263 274 T C 2.141 176.644 174.700 -0.328 0.000 1.050 274 T CA 1.399 63.009 62.100 -0.817 0.000 1.140 274 T CB -0.183 67.720 68.868 -1.609 0.000 0.877 274 T HN 0.449 nan 8.240 nan 0.000 0.457 275 S N 1.217 116.830 115.700 -0.145 0.000 2.359 275 S HA -0.105 4.365 4.470 0.001 0.000 0.224 275 S C 2.358 176.740 174.600 -0.363 0.000 1.035 275 S CA 0.936 59.046 58.200 -0.150 0.000 1.018 275 S CB -0.581 62.444 63.200 -0.292 0.000 0.876 275 S HN 0.292 nan 8.310 nan 0.000 0.448 276 V N 1.524 121.138 119.914 -0.500 0.000 2.324 276 V HA -0.197 3.924 4.120 0.001 0.000 0.250 276 V C 1.962 178.108 176.094 0.087 0.000 1.060 276 V CA 1.922 64.136 62.300 -0.144 0.000 1.042 276 V CB -0.795 31.032 31.823 0.008 0.000 0.650 276 V HN 0.460 nan 8.190 nan 0.000 0.450 277 F N 1.260 121.104 119.950 -0.177 0.000 2.069 277 F HA -0.167 4.360 4.527 0.000 0.000 0.298 277 F C 2.635 178.285 175.800 -0.251 0.000 1.113 277 F CA 2.119 59.985 58.000 -0.224 0.000 1.214 277 F CB -0.719 38.099 39.000 -0.304 0.000 0.978 277 F HN -0.025 nan 8.300 nan 0.000 0.474 278 R N 0.022 120.312 120.500 -0.350 0.000 2.103 278 R HA -0.189 4.151 4.340 0.001 0.000 0.242 278 R C 1.693 177.712 176.300 -0.469 0.000 1.142 278 R CA 2.233 58.040 56.100 -0.488 0.000 0.960 278 R CB -0.403 29.761 30.300 -0.227 0.000 0.858 278 R HN 0.297 nan 8.270 nan 0.000 0.439 279 D N -1.538 118.766 120.400 -0.161 0.000 2.262 279 D HA -0.058 4.583 4.640 0.001 0.000 0.212 279 D C 0.805 176.992 176.300 -0.188 0.000 0.964 279 D CA 1.062 55.015 54.000 -0.079 0.000 0.875 279 D CB 0.028 40.904 40.800 0.127 0.000 0.996 279 D HN 0.300 nan 8.370 nan 0.000 0.497 280 Y N 0.565 120.845 120.300 -0.033 0.000 2.531 280 Y HA 0.382 4.932 4.550 0.000 0.000 0.249 280 Y C 1.339 177.129 175.900 -0.183 0.000 1.168 280 Y CA -0.509 57.591 58.100 -0.000 0.000 1.226 280 Y CB 0.818 39.348 38.460 0.117 0.000 1.177 280 Y HN -0.194 nan 8.280 nan 0.000 0.527 281 G N -0.312 108.399 108.800 -0.148 0.000 2.432 281 G HA2 0.161 4.122 3.960 0.001 0.000 0.257 281 G HA3 0.161 4.122 3.960 0.001 0.000 0.257 281 G C -0.912 173.906 174.900 -0.137 0.000 1.238 281 G CA -0.286 44.681 45.100 -0.222 0.000 0.838 281 G HN 0.049 nan 8.290 nan 0.000 0.547 282 Y N 0.491 120.764 120.300 -0.046 0.000 2.610 282 Y HA 0.196 4.746 4.550 0.001 0.000 0.332 282 Y C 1.549 177.390 175.900 -0.098 0.000 1.201 282 Y CA -0.413 57.656 58.100 -0.051 0.000 1.465 282 Y CB 0.724 39.163 38.460 -0.035 0.000 1.283 282 Y HN 0.490 nan 8.280 nan 0.000 0.563 283 R N 2.163 122.712 120.500 0.083 0.000 2.661 283 R HA 0.250 4.590 4.340 0.001 0.000 0.429 283 R C 1.123 177.448 176.300 0.041 0.000 1.044 283 R CA -0.197 55.909 56.100 0.010 0.000 1.065 283 R CB 0.792 31.057 30.300 -0.059 0.000 1.377 283 R HN 0.601 nan 8.270 nan 0.000 0.600 284 R N 0.132 120.649 120.500 0.029 0.000 2.098 284 R HA 0.327 4.667 4.340 0.001 0.000 0.203 284 R C 0.175 176.465 176.300 -0.017 0.000 1.166 284 R CA 0.281 56.380 56.100 -0.002 0.000 1.090 284 R CB 0.616 30.892 30.300 -0.040 0.000 0.992 284 R HN 0.032 nan 8.270 nan 0.000 0.477 285 L N 0.764 121.961 121.223 -0.044 0.000 2.375 285 L HA 0.319 4.660 4.340 0.001 0.000 0.268 285 L C 1.143 177.999 176.870 -0.023 0.000 1.058 285 L CA -0.498 54.313 54.840 -0.049 0.000 0.803 285 L CB 1.447 43.446 42.059 -0.100 0.000 1.212 285 L HN 0.081 nan 8.230 nan 0.000 0.451 286 R N 1.720 122.216 120.500 -0.006 0.000 2.055 286 R HA 0.048 4.388 4.340 0.001 0.000 0.226 286 R C 1.475 177.786 176.300 0.018 0.000 1.135 286 R CA 1.596 57.710 56.100 0.023 0.000 0.959 286 R CB -0.408 29.916 30.300 0.039 0.000 0.854 286 R HN 0.762 nan 8.270 nan 0.000 0.431 287 A N -0.121 122.694 122.820 -0.008 0.000 2.291 287 A HA 0.083 4.403 4.320 0.001 0.000 0.220 287 A C 0.642 178.129 177.584 -0.162 0.000 1.262 287 A CA 0.298 52.335 52.037 0.000 0.000 0.867 287 A CB -0.287 18.727 19.000 0.024 0.000 0.888 287 A HN 0.191 nan 8.150 nan 0.000 0.487 288 K N -0.591 119.633 120.400 -0.293 0.000 3.209 288 K HA 0.462 4.782 4.320 0.001 0.000 0.202 288 K C 0.253 176.669 176.600 -0.307 0.000 1.109 288 K CA 0.565 56.380 56.287 -0.786 0.000 0.968 288 K CB 0.247 32.361 32.500 -0.643 0.000 0.732 288 K HN 0.222 nan 8.250 nan 0.000 0.450 289 A N 0.632 123.451 122.820 -0.002 0.000 2.469 289 A HA 0.262 4.582 4.320 0.001 0.000 0.245 289 A C 0.352 178.148 177.584 0.353 0.000 1.221 289 A CA -0.282 51.864 52.037 0.182 0.000 0.946 289 A CB 0.297 19.368 19.000 0.118 0.000 1.049 289 A HN 0.180 nan 8.150 nan 0.000 0.529 290 R N -0.255 120.538 120.500 0.489 0.000 2.490 290 R HA 0.239 4.579 4.340 0.001 0.000 0.278 290 R C 0.914 177.275 176.300 0.102 0.000 1.069 290 R CA -0.572 55.718 56.100 0.316 0.000 1.080 290 R CB 0.818 31.229 30.300 0.185 0.000 1.030 290 R HN 0.236 nan 8.270 nan 0.000 0.491 291 L N 3.996 124.990 121.223 -0.382 0.000 2.129 291 L HA -0.243 4.097 4.340 0.001 0.000 0.212 291 L C 2.019 178.646 176.870 -0.406 0.000 1.087 291 L CA 1.890 56.362 54.840 -0.612 0.000 0.757 291 L CB -0.514 40.899 42.059 -1.076 0.000 0.896 291 L HN 0.636 nan 8.230 nan 0.000 0.434 292 K N -1.479 118.694 120.400 -0.378 0.000 2.089 292 K HA -0.259 4.061 4.320 0.001 0.000 0.210 292 K C 1.943 178.333 176.600 -0.350 0.000 1.048 292 K CA 2.167 58.211 56.287 -0.404 0.000 0.926 292 K CB -1.071 31.129 32.500 -0.500 0.000 0.714 292 K HN 0.276 nan 8.250 nan 0.000 0.448 293 F N 1.419 121.285 119.950 -0.141 0.000 2.075 293 F HA -0.113 4.414 4.527 0.001 0.000 0.297 293 F C 2.343 178.056 175.800 -0.145 0.000 1.113 293 F CA 0.914 58.885 58.000 -0.047 0.000 1.218 293 F CB -0.836 38.227 39.000 0.105 0.000 0.984 293 F HN -0.043 nan 8.300 nan 0.000 0.472 294 L N 0.211 121.272 121.223 -0.270 0.000 2.081 294 L HA -0.220 4.120 4.340 0.001 0.000 0.212 294 L C 2.020 178.633 176.870 -0.429 0.000 1.080 294 L CA 1.662 56.125 54.840 -0.629 0.000 0.754 294 L CB -0.707 40.841 42.059 -0.852 0.000 0.893 294 L HN 0.049 nan 8.230 nan 0.000 0.433 295 I N -0.513 119.871 120.570 -0.310 0.000 2.353 295 I HA -0.219 3.951 4.170 0.001 0.000 0.248 295 I C 2.434 178.523 176.117 -0.046 0.000 1.119 295 I CA 1.103 62.282 61.300 -0.202 0.000 1.417 295 I CB -1.408 36.400 38.000 -0.320 0.000 1.078 295 I HN 0.397 nan 8.210 nan 0.000 0.421 296 K N 0.784 121.157 120.400 -0.045 0.000 2.147 296 K HA -0.211 4.109 4.320 0.001 0.000 0.205 296 K C 1.430 178.100 176.600 0.117 0.000 1.049 296 K CA 1.581 57.885 56.287 0.028 0.000 0.936 296 K CB 0.154 32.672 32.500 0.030 0.000 0.722 296 K HN 0.248 nan 8.250 nan 0.000 0.446 297 D N -0.851 119.652 120.400 0.172 0.000 2.197 297 D HA -0.079 4.561 4.640 0.001 0.000 0.212 297 D C 1.666 178.193 176.300 0.378 0.000 0.963 297 D CA 0.675 54.837 54.000 0.269 0.000 0.864 297 D CB -0.235 40.777 40.800 0.354 0.000 1.009 297 D HN 0.236 nan 8.370 nan 0.000 0.479 298 W N 1.438 122.796 121.300 0.097 0.000 2.418 298 W HA 0.251 4.911 4.660 0.000 0.000 0.292 298 W C 1.276 177.830 176.519 0.059 0.000 1.213 298 W CA 1.333 58.727 57.345 0.081 0.000 1.283 298 W CB -0.729 28.782 29.460 0.086 0.000 1.119 298 W HN 0.027 nan 8.180 nan 0.000 0.542 299 G N -0.078 108.885 108.800 0.272 0.000 2.785 299 G HA2 -0.252 3.708 3.960 0.001 0.000 0.685 299 G HA3 -0.252 3.708 3.960 0.001 0.000 0.685 299 G C 0.473 175.481 174.900 0.180 0.000 1.480 299 G CA -0.437 44.757 45.100 0.156 0.000 0.915 299 G HN -0.024 nan 8.290 nan 0.000 0.576 300 I N 1.386 122.019 120.570 0.105 0.000 2.091 300 I HA -0.306 3.865 4.170 0.001 0.000 0.239 300 I C 3.366 179.600 176.117 0.196 0.000 1.061 300 I CA 2.883 64.261 61.300 0.129 0.000 1.317 300 I CB -1.812 36.214 38.000 0.043 0.000 1.031 300 I HN 0.996 nan 8.210 nan 0.000 0.401 301 A N 0.777 123.662 122.820 0.108 0.000 1.870 301 A HA -0.335 3.985 4.320 0.001 0.000 0.219 301 A C 2.470 180.084 177.584 0.051 0.000 1.224 301 A CA 2.661 54.737 52.037 0.065 0.000 0.650 301 A CB -0.935 18.082 19.000 0.028 0.000 0.836 301 A HN 0.426 nan 8.150 nan 0.000 0.454 302 K N -1.783 118.640 120.400 0.039 0.000 2.063 302 K HA -0.198 4.122 4.320 0.001 0.000 0.208 302 K C 1.859 178.444 176.600 -0.024 0.000 1.048 302 K CA 1.786 58.017 56.287 -0.093 0.000 0.928 302 K CB -0.351 32.007 32.500 -0.237 0.000 0.713 302 K HN 0.450 nan 8.250 nan 0.000 0.442 303 F N 1.850 121.889 119.950 0.147 0.000 2.046 303 F HA -0.242 4.285 4.527 0.001 0.000 0.297 303 F C 2.513 178.379 175.800 0.110 0.000 1.123 303 F CA 2.065 60.230 58.000 0.276 0.000 1.199 303 F CB -0.474 38.666 39.000 0.234 0.000 0.972 303 F HN -0.048 nan 8.300 nan 0.000 0.474 304 R N 0.008 120.517 120.500 0.016 0.000 2.117 304 R HA -0.253 4.088 4.340 0.001 0.000 0.243 304 R C 2.266 178.474 176.300 -0.155 0.000 1.143 304 R CA 1.952 57.982 56.100 -0.117 0.000 0.968 304 R CB -0.440 29.881 30.300 0.035 0.000 0.863 304 R HN 0.447 nan 8.270 nan 0.000 0.444 305 E N -0.376 119.754 120.200 -0.117 0.000 2.072 305 E HA -0.116 4.234 4.350 0.001 0.000 0.191 305 E C 1.807 178.320 176.600 -0.146 0.000 0.985 305 E CA 1.406 57.737 56.400 -0.116 0.000 0.801 305 E CB -0.082 29.549 29.700 -0.115 0.000 0.750 305 E HN 0.161 nan 8.360 nan 0.000 0.452 306 V N 0.693 120.486 119.914 -0.200 0.000 2.295 306 V HA -0.240 3.881 4.120 0.001 0.000 0.246 306 V C 2.431 178.493 176.094 -0.054 0.000 1.049 306 V CA 1.755 63.954 62.300 -0.168 0.000 1.024 306 V CB -0.587 31.100 31.823 -0.226 0.000 0.648 306 V HN 0.353 nan 8.190 nan 0.000 0.447 307 L N 0.046 121.137 121.223 -0.220 0.000 2.012 307 L HA -0.213 4.127 4.340 0.001 0.000 0.210 307 L C 2.384 179.242 176.870 -0.020 0.000 1.073 307 L CA 2.107 56.838 54.840 -0.182 0.000 0.748 307 L CB -0.606 41.119 42.059 -0.556 0.000 0.891 307 L HN 0.382 nan 8.230 nan 0.000 0.431 308 E N -1.421 118.739 120.200 -0.067 0.000 2.046 308 E HA -0.174 4.177 4.350 0.001 0.000 0.190 308 E C 2.024 178.618 176.600 -0.011 0.000 0.982 308 E CA 1.687 58.074 56.400 -0.021 0.000 0.800 308 E CB -0.117 29.566 29.700 -0.029 0.000 0.756 308 E HN 0.731 nan 8.360 nan 0.000 0.449 309 T N -1.689 112.842 114.554 -0.039 0.000 2.976 309 T HA 0.033 4.383 4.350 0.001 0.000 0.257 309 T C 1.703 176.350 174.700 -0.088 0.000 1.051 309 T CA 0.547 62.615 62.100 -0.052 0.000 1.141 309 T CB 0.007 68.837 68.868 -0.063 0.000 0.881 309 T HN -0.007 nan 8.240 nan 0.000 0.461 310 E N -0.646 119.470 120.200 -0.140 0.000 2.318 310 E HA 0.133 4.483 4.350 0.001 0.000 0.193 310 E C 1.077 177.323 176.600 -0.590 0.000 0.998 310 E CA 0.534 56.715 56.400 -0.364 0.000 0.859 310 E CB 0.169 29.588 29.700 -0.468 0.000 0.812 310 E HN 0.628 nan 8.360 nan 0.000 0.492 311 Y N -0.709 119.603 120.300 0.020 0.000 2.808 311 Y HA 0.148 4.698 4.550 0.000 0.000 0.244 311 Y C 1.859 177.781 175.900 0.038 0.000 1.033 311 Y CA -0.086 58.037 58.100 0.039 0.000 1.415 311 Y CB -0.169 38.316 38.460 0.042 0.000 1.420 311 Y HN -0.150 nan 8.280 nan 0.000 0.484 312 L N 0.447 121.780 121.223 0.183 0.000 2.131 312 L HA -0.172 4.169 4.340 0.001 0.000 0.210 312 L C 0.457 177.373 176.870 0.077 0.000 1.092 312 L CA 1.194 56.106 54.840 0.121 0.000 0.759 312 L CB -0.439 41.678 42.059 0.095 0.000 0.903 312 L HN 0.230 nan 8.230 nan 0.000 0.435 313 K N 1.313 121.740 120.400 0.044 0.000 3.096 313 K HA -0.196 4.125 4.320 0.001 0.000 0.266 313 K C -0.415 176.201 176.600 0.025 0.000 1.043 313 K CA 0.794 57.093 56.287 0.020 0.000 0.758 313 K CB -1.507 31.004 32.500 0.018 0.000 1.260 313 K HN 0.651 nan 8.250 nan 0.000 0.481 314 R N -2.453 118.064 120.500 0.028 0.000 2.728 314 R HA 0.416 4.756 4.340 0.001 0.000 0.274 314 R C -3.247 173.069 176.300 0.027 0.000 1.032 314 R CA -1.753 54.364 56.100 0.028 0.000 0.866 314 R CB 0.988 31.311 30.300 0.038 0.000 1.263 314 R HN -0.244 nan 8.270 nan 0.000 0.475 315 P HA 0.152 nan 4.420 nan 0.000 0.272 315 P C -0.505 176.822 177.300 0.045 0.000 1.230 315 P CA -0.377 62.742 63.100 0.030 0.000 0.788 315 P CB 0.768 32.486 31.700 0.031 0.000 0.949 316 L N 2.169 123.425 121.223 0.055 0.000 2.312 316 L HA 0.339 4.679 4.340 0.001 0.000 0.281 316 L C 0.905 177.830 176.870 0.092 0.000 1.070 316 L CA -1.027 53.860 54.840 0.079 0.000 0.805 316 L CB 0.451 42.566 42.059 0.092 0.000 1.174 316 L HN 0.264 nan 8.230 nan 0.000 0.434 317 I N 2.593 123.226 120.570 0.106 0.000 2.752 317 I HA -0.106 4.065 4.170 0.001 0.000 0.289 317 I C 0.216 176.445 176.117 0.187 0.000 1.197 317 I CA -0.013 61.352 61.300 0.108 0.000 1.432 317 I CB -0.023 37.990 38.000 0.022 0.000 1.359 317 I HN 0.488 nan 8.210 nan 0.000 0.571 318 D N 5.515 126.019 120.400 0.172 0.000 2.487 318 D HA 0.287 4.927 4.640 0.001 0.000 0.243 318 D C 0.289 176.786 176.300 0.329 0.000 1.154 318 D CA 0.632 54.749 54.000 0.194 0.000 0.876 318 D CB 1.051 41.937 40.800 0.143 0.000 1.161 318 D HN 0.747 nan 8.370 nan 0.000 0.478 319 G N 2.048 111.020 108.800 0.287 0.000 2.612 319 G HA2 0.598 4.559 3.960 0.001 0.000 0.298 319 G HA3 0.598 4.559 3.960 0.001 0.000 0.298 319 G C -2.816 172.168 174.900 0.141 0.000 1.336 319 G CA -1.162 44.140 45.100 0.337 0.000 0.953 319 G HN 0.221 nan 8.290 nan 0.000 0.482 320 P HA 0.452 nan 4.420 nan 0.000 0.276 320 P C 0.026 177.373 177.300 0.078 0.000 1.252 320 P CA -0.147 62.961 63.100 0.013 0.000 0.802 320 P CB 1.264 32.925 31.700 -0.065 0.000 1.035 321 A N 2.517 125.369 122.820 0.053 0.000 2.407 321 A HA 0.470 4.791 4.320 0.001 0.000 0.248 321 A C -1.857 175.817 177.584 0.150 0.000 1.082 321 A CA -1.155 50.944 52.037 0.103 0.000 0.785 321 A CB -1.227 17.817 19.000 0.074 0.000 1.020 321 A HN 0.463 nan 8.150 nan 0.000 0.489 322 P HA 0.109 nan 4.420 nan 0.000 0.272 322 P C -0.522 176.862 177.300 0.140 0.000 1.230 322 P CA -0.314 62.891 63.100 0.175 0.000 0.788 322 P CB 0.522 32.327 31.700 0.175 0.000 0.949 323 E N 2.223 122.480 120.200 0.095 0.000 2.159 323 E HA 0.178 4.529 4.350 0.001 0.000 0.272 323 E C -1.952 174.690 176.600 0.070 0.000 1.138 323 E CA -1.453 54.990 56.400 0.071 0.000 0.915 323 E CB -0.276 29.452 29.700 0.048 0.000 1.028 323 E HN 0.271 nan 8.360 nan 0.000 0.423 324 P HA -0.034 nan 4.420 nan 0.000 0.268 324 P C -0.405 176.913 177.300 0.030 0.000 1.205 324 P CA -0.224 62.922 63.100 0.077 0.000 0.771 324 P CB 0.516 32.265 31.700 0.083 0.000 0.858 325 V N 0.766 120.691 119.914 0.019 0.000 2.649 325 V HA 0.282 4.402 4.120 0.001 0.000 0.292 325 V C 1.327 177.378 176.094 -0.072 0.000 1.055 325 V CA -0.366 61.920 62.300 -0.024 0.000 1.023 325 V CB 1.111 32.926 31.823 -0.013 0.000 0.992 325 V HN 0.237 nan 8.190 nan 0.000 0.480 326 K N 0.869 121.158 120.400 -0.185 0.000 2.097 326 K HA 0.072 4.393 4.320 0.001 0.000 0.205 326 K C 0.615 176.945 176.600 -0.451 0.000 1.050 326 K CA 1.384 57.447 56.287 -0.373 0.000 0.938 326 K CB -0.237 31.909 32.500 -0.589 0.000 0.718 326 K HN 0.902 nan 8.250 nan 0.000 0.442 327 H N -0.924 118.143 119.070 -0.005 0.000 2.717 327 H HA 0.360 4.916 4.556 0.001 0.000 0.366 327 H C -2.380 172.913 175.328 -0.059 0.000 1.132 327 H CA -3.062 52.968 56.048 -0.032 0.000 1.180 327 H CB 0.933 30.668 29.762 -0.046 0.000 1.678 327 H HN -0.142 nan 8.280 nan 0.000 0.537 328 P HA 0.203 nan 4.420 nan 0.000 0.272 328 P C -0.037 177.163 177.300 -0.167 0.000 1.223 328 P CA -0.312 62.741 63.100 -0.079 0.000 0.784 328 P CB 0.822 32.433 31.700 -0.149 0.000 0.923 329 I N 1.911 122.359 120.570 -0.204 0.000 2.306 329 I HA 0.169 4.340 4.170 0.001 0.000 0.288 329 I C 0.708 176.582 176.117 -0.404 0.000 1.036 329 I CA -0.232 60.879 61.300 -0.315 0.000 1.221 329 I CB 0.868 38.646 38.000 -0.371 0.000 1.385 329 I HN 0.339 nan 8.210 nan 0.000 0.472 330 D N 3.701 123.888 120.400 -0.356 0.000 2.350 330 D HA -0.115 4.525 4.640 0.001 0.000 0.213 330 D C 0.744 177.023 176.300 -0.036 0.000 1.031 330 D CA 0.053 53.916 54.000 -0.229 0.000 0.861 330 D CB -0.025 40.635 40.800 -0.234 0.000 0.926 330 D HN 0.517 nan 8.370 nan 0.000 0.520 331 H N -1.188 117.880 119.070 -0.004 0.000 2.791 331 H HA -0.121 4.435 4.556 0.001 0.000 0.302 331 H C -0.614 174.722 175.328 0.014 0.000 1.198 331 H CA 0.518 56.575 56.048 0.015 0.000 1.145 331 H CB -1.993 27.791 29.762 0.037 0.000 1.385 331 H HN 0.158 nan 8.280 nan 0.000 0.409 332 V N -0.431 119.531 119.914 0.079 0.000 2.539 332 V HA 0.646 4.766 4.120 0.001 0.000 0.292 332 V C 1.271 177.384 176.094 0.032 0.000 1.045 332 V CA 0.669 62.999 62.300 0.050 0.000 0.945 332 V CB 1.755 33.586 31.823 0.014 0.000 0.993 332 V HN 0.932 nan 8.190 nan 0.000 0.464 333 G N 3.441 112.258 108.800 0.027 0.000 2.728 333 G HA2 -0.106 3.854 3.960 0.001 0.000 0.294 333 G HA3 -0.106 3.854 3.960 0.001 0.000 0.294 333 G C -0.675 174.240 174.900 0.025 0.000 1.342 333 G CA -0.468 44.641 45.100 0.015 0.000 0.866 333 G HN 0.883 nan 8.290 nan 0.000 0.534 334 V N 2.186 122.109 119.914 0.015 0.000 2.432 334 V HA 0.532 4.652 4.120 0.001 0.000 0.271 334 V C 0.733 176.840 176.094 0.021 0.000 1.046 334 V CA 0.967 63.276 62.300 0.016 0.000 0.945 334 V CB 0.759 32.587 31.823 0.008 0.000 0.992 334 V HN 0.987 nan 8.190 nan 0.000 0.471 335 Q N 4.179 123.994 119.800 0.025 0.000 2.423 335 Q HA 0.758 5.098 4.340 0.001 0.000 0.278 335 Q C -0.599 175.410 176.000 0.016 0.000 1.097 335 Q CA -1.233 54.587 55.803 0.028 0.000 0.809 335 Q CB 2.083 30.852 28.738 0.052 0.000 1.391 335 Q HN 0.484 nan 8.270 nan 0.000 0.428 336 R N 1.230 121.740 120.500 0.016 0.000 2.694 336 R HA 0.424 4.765 4.340 0.001 0.000 0.268 336 R C -1.178 175.126 176.300 0.006 0.000 1.061 336 R CA 0.129 56.235 56.100 0.009 0.000 1.133 336 R CB 0.298 30.604 30.300 0.011 0.000 1.020 336 R HN 0.754 nan 8.270 nan 0.000 0.475 337 L N 3.573 124.796 121.223 0.000 0.000 2.319 337 L HA 0.408 4.749 4.340 0.001 0.000 0.267 337 L C 1.267 178.136 176.870 -0.001 0.000 1.011 337 L CA -1.031 53.806 54.840 -0.005 0.000 0.818 337 L CB 1.838 43.889 42.059 -0.013 0.000 1.316 337 L HN 0.679 nan 8.230 nan 0.000 0.432 338 K N 0.431 120.831 120.400 -0.002 0.000 2.107 338 K HA -0.243 4.077 4.320 0.001 0.000 0.211 338 K C 1.594 178.193 176.600 -0.001 0.000 1.049 338 K CA 1.838 58.126 56.287 0.000 0.000 0.927 338 K CB -0.172 32.328 32.500 0.000 0.000 0.714 338 K HN 0.495 nan 8.250 nan 0.000 0.452 339 N N -0.441 118.257 118.700 -0.005 0.000 2.111 339 N HA -0.213 4.527 4.740 0.001 0.000 0.197 339 N C 1.478 176.986 175.510 -0.003 0.000 1.011 339 N CA 1.963 55.010 53.050 -0.005 0.000 0.880 339 N CB -0.294 38.188 38.487 -0.008 0.000 1.031 339 N HN 0.530 nan 8.380 nan 0.000 0.444 340 G N -1.367 107.432 108.800 -0.002 0.000 2.213 340 G HA2 -0.239 3.722 3.960 0.001 0.000 0.236 340 G HA3 -0.239 3.722 3.960 0.001 0.000 0.236 340 G C 0.175 175.075 174.900 -0.001 0.000 0.991 340 G CA 0.387 45.487 45.100 -0.000 0.000 0.629 340 G HN 0.285 nan 8.290 nan 0.000 0.517 341 L N 0.133 121.354 121.223 -0.003 0.000 2.657 341 L HA 0.570 4.910 4.340 0.001 0.000 0.240 341 L C 0.370 177.238 176.870 -0.004 0.000 1.151 341 L CA -1.229 53.609 54.840 -0.004 0.000 0.831 341 L CB 0.362 42.417 42.059 -0.006 0.000 1.539 341 L HN 0.034 nan 8.230 nan 0.000 0.511 342 N N 0.017 118.715 118.700 -0.004 0.000 2.370 342 N HA 0.543 5.283 4.740 0.001 0.000 0.303 342 N C -0.974 174.532 175.510 -0.007 0.000 1.103 342 N CA -0.433 52.616 53.050 -0.002 0.000 0.848 342 N CB 2.086 40.574 38.487 0.001 0.000 1.235 342 N HN 0.597 nan 8.380 nan 0.000 0.496 343 A N 1.185 124.001 122.820 -0.007 0.000 2.301 343 A HA 0.542 4.862 4.320 0.001 0.000 0.312 343 A C -0.262 177.324 177.584 0.004 0.000 1.182 343 A CA -0.583 51.447 52.037 -0.012 0.000 0.826 343 A CB 0.508 19.491 19.000 -0.030 0.000 1.134 343 A HN 0.403 nan 8.150 nan 0.000 0.501 344 V N 2.450 122.368 119.914 0.007 0.000 2.334 344 V HA 0.581 4.701 4.120 0.001 0.000 0.281 344 V C 0.790 176.902 176.094 0.030 0.000 1.016 344 V CA -0.212 62.099 62.300 0.017 0.000 0.832 344 V CB 1.237 33.069 31.823 0.015 0.000 0.999 344 V HN 1.070 nan 8.190 nan 0.000 0.439 345 G N 3.917 112.742 108.800 0.043 0.000 2.319 345 G HA2 0.617 4.578 3.960 0.001 0.000 0.308 345 G HA3 0.617 4.578 3.960 0.001 0.000 0.308 345 G C -0.508 174.425 174.900 0.055 0.000 1.117 345 G CA -0.411 44.727 45.100 0.063 0.000 0.903 345 G HN 0.895 nan 8.290 nan 0.000 0.436 346 V N 0.193 120.146 119.914 0.065 0.000 2.680 346 V HA 0.895 5.015 4.120 0.001 0.000 0.309 346 V C 0.160 176.292 176.094 0.063 0.000 1.052 346 V CA -1.313 61.020 62.300 0.055 0.000 0.908 346 V CB 1.599 33.454 31.823 0.052 0.000 1.001 346 V HN 1.098 nan 8.190 nan 0.000 0.431 347 A N 5.904 128.752 122.820 0.047 0.000 2.253 347 A HA 0.871 5.192 4.320 0.001 0.000 0.316 347 A C -2.121 175.489 177.584 0.044 0.000 1.327 347 A CA -1.660 50.406 52.037 0.048 0.000 0.917 347 A CB 0.331 19.352 19.000 0.036 0.000 1.162 347 A HN 0.802 nan 8.150 nan 0.000 0.535 348 P HA 0.337 nan 4.420 nan 0.000 0.289 348 P C -0.465 176.856 177.300 0.034 0.000 1.299 348 P CA -0.431 62.691 63.100 0.037 0.000 0.766 348 P CB 0.747 32.466 31.700 0.033 0.000 1.226 349 I N -0.031 120.554 120.570 0.024 0.000 2.301 349 I HA 0.264 4.434 4.170 0.001 0.000 0.292 349 I C 0.850 176.978 176.117 0.020 0.000 1.046 349 I CA -0.125 61.189 61.300 0.023 0.000 1.282 349 I CB -0.088 37.915 38.000 0.005 0.000 1.409 349 I HN 0.520 nan 8.210 nan 0.000 0.484 350 A N 5.091 127.931 122.820 0.033 0.000 2.832 350 A HA -0.154 4.166 4.320 0.001 0.000 0.280 350 A C 1.503 179.100 177.584 0.021 0.000 1.464 350 A CA 0.890 52.946 52.037 0.032 0.000 0.804 350 A CB -1.941 17.073 19.000 0.024 0.000 1.020 350 A HN 1.693 nan 8.150 nan 0.000 0.563 351 G N -1.839 106.970 108.800 0.015 0.000 2.179 351 G HA2 -0.277 3.683 3.960 0.001 0.000 0.260 351 G HA3 -0.277 3.683 3.960 0.001 0.000 0.260 351 G C 0.185 175.079 174.900 -0.011 0.000 0.977 351 G CA 1.254 46.346 45.100 -0.013 0.000 0.641 351 G HN 1.930 nan 8.290 nan 0.000 0.533 352 R N 0.465 120.971 120.500 0.011 0.000 2.248 352 R HA 0.558 4.898 4.340 0.001 0.000 0.328 352 R C 0.738 177.055 176.300 0.029 0.000 1.067 352 R CA 0.291 56.407 56.100 0.026 0.000 0.924 352 R CB 0.574 30.889 30.300 0.026 0.000 1.013 352 R HN 0.803 nan 8.270 nan 0.000 0.454 353 V N 0.402 120.341 119.914 0.041 0.000 3.087 353 V HA 0.761 4.881 4.120 0.001 0.000 0.311 353 V C -0.815 175.326 176.094 0.080 0.000 1.333 353 V CA -0.445 61.887 62.300 0.053 0.000 1.054 353 V CB 1.641 33.494 31.823 0.051 0.000 1.123 353 V HN 0.809 nan 8.190 nan 0.000 0.473 354 S N -1.444 114.307 115.700 0.086 0.000 2.569 354 S HA 0.664 5.134 4.470 0.001 0.000 0.280 354 S C 0.939 175.605 174.600 0.110 0.000 1.111 354 S CA 0.063 58.323 58.200 0.101 0.000 0.887 354 S CB 1.159 64.405 63.200 0.077 0.000 1.095 354 S HN 2.069 nan 8.310 nan 0.000 0.476 355 G N 1.623 110.497 108.800 0.123 0.000 2.505 355 G HA2 -0.216 3.745 3.960 0.001 0.000 0.220 355 G HA3 -0.216 3.745 3.960 0.001 0.000 0.220 355 G C 1.139 176.086 174.900 0.078 0.000 1.145 355 G CA 1.817 46.986 45.100 0.115 0.000 0.761 355 G HN 0.825 nan 8.290 nan 0.000 0.571 356 T N 1.322 115.909 114.554 0.055 0.000 2.684 356 T HA -0.093 4.258 4.350 0.001 0.000 0.267 356 T C 2.383 177.113 174.700 0.050 0.000 1.036 356 T CA 1.231 63.354 62.100 0.040 0.000 1.148 356 T CB -0.190 68.695 68.868 0.029 0.000 0.863 356 T HN 0.300 nan 8.240 nan 0.000 0.436 357 I N 0.742 121.347 120.570 0.060 0.000 2.142 357 I HA -0.162 4.008 4.170 0.001 0.000 0.240 357 I C 2.368 178.531 176.117 0.077 0.000 1.078 357 I CA 1.261 62.599 61.300 0.062 0.000 1.343 357 I CB -0.548 37.490 38.000 0.064 0.000 1.046 357 I HN 0.186 nan 8.210 nan 0.000 0.405 358 L N 0.220 121.503 121.223 0.100 0.000 1.990 358 L HA -0.263 4.078 4.340 0.001 0.000 0.213 358 L C 2.665 179.591 176.870 0.093 0.000 1.072 358 L CA 2.024 56.938 54.840 0.123 0.000 0.755 358 L CB -1.162 40.996 42.059 0.164 0.000 0.889 358 L HN 0.309 nan 8.230 nan 0.000 0.432 359 T N -0.399 114.201 114.554 0.076 0.000 2.867 359 T HA -0.121 4.229 4.350 0.001 0.000 0.268 359 T C 1.996 176.722 174.700 0.043 0.000 1.057 359 T CA 1.068 63.201 62.100 0.055 0.000 1.136 359 T CB -0.288 68.604 68.868 0.041 0.000 0.874 359 T HN 0.450 nan 8.240 nan 0.000 0.466 360 A N 1.281 124.127 122.820 0.043 0.000 1.902 360 A HA -0.044 4.276 4.320 0.001 0.000 0.217 360 A C 2.583 180.189 177.584 0.037 0.000 1.181 360 A CA 1.328 53.386 52.037 0.035 0.000 0.623 360 A CB -1.041 17.980 19.000 0.034 0.000 0.818 360 A HN 0.366 nan 8.150 nan 0.000 0.443 361 V N -0.050 119.893 119.914 0.048 0.000 2.407 361 V HA -0.259 3.862 4.120 0.001 0.000 0.248 361 V C 3.032 179.148 176.094 0.036 0.000 1.055 361 V CA 1.842 64.170 62.300 0.047 0.000 1.049 361 V CB -1.346 30.517 31.823 0.068 0.000 0.662 361 V HN 0.623 nan 8.190 nan 0.000 0.455 362 A N 0.111 122.954 122.820 0.039 0.000 1.883 362 A HA -0.274 4.046 4.320 0.001 0.000 0.217 362 A C 2.048 179.644 177.584 0.020 0.000 1.186 362 A CA 2.184 54.237 52.037 0.028 0.000 0.624 362 A CB -0.589 18.430 19.000 0.033 0.000 0.822 362 A HN 0.581 nan 8.150 nan 0.000 0.444 363 D N -0.155 120.258 120.400 0.021 0.000 2.123 363 D HA -0.058 4.582 4.640 0.001 0.000 0.200 363 D C 1.984 178.293 176.300 0.014 0.000 0.976 363 D CA 0.778 54.788 54.000 0.016 0.000 0.831 363 D CB -0.330 40.479 40.800 0.015 0.000 0.974 363 D HN 0.408 nan 8.370 nan 0.000 0.469 364 L N 0.424 121.658 121.223 0.018 0.000 2.129 364 L HA -0.189 4.152 4.340 0.001 0.000 0.212 364 L C 2.545 179.423 176.870 0.012 0.000 1.087 364 L CA 0.845 55.694 54.840 0.016 0.000 0.757 364 L CB -0.205 41.866 42.059 0.020 0.000 0.896 364 L HN 0.064 nan 8.230 nan 0.000 0.434 365 M N -1.165 118.441 119.600 0.011 0.000 2.073 365 M HA -0.146 4.334 4.480 0.001 0.000 0.259 365 M C 2.513 178.815 176.300 0.003 0.000 1.079 365 M CA 1.834 57.137 55.300 0.005 0.000 1.131 365 M CB -0.483 32.118 32.600 0.001 0.000 1.316 365 M HN 0.252 nan 8.290 nan 0.000 0.415 366 A N 0.092 122.914 122.820 0.004 0.000 2.032 366 A HA -0.220 4.100 4.320 0.001 0.000 0.221 366 A C 2.120 179.706 177.584 0.004 0.000 1.165 366 A CA 1.931 53.970 52.037 0.003 0.000 0.645 366 A CB -0.812 18.191 19.000 0.005 0.000 0.807 366 A HN 0.465 nan 8.150 nan 0.000 0.453 367 R N -0.851 119.652 120.500 0.005 0.000 2.148 367 R HA 0.061 4.401 4.340 0.001 0.000 0.223 367 R C 1.637 177.939 176.300 0.004 0.000 1.088 367 R CA 1.067 57.170 56.100 0.005 0.000 0.985 367 R CB -0.189 30.114 30.300 0.007 0.000 0.880 367 R HN 0.428 nan 8.270 nan 0.000 0.451 368 A N -0.534 122.288 122.820 0.003 0.000 2.423 368 A HA 0.303 4.624 4.320 0.001 0.000 0.246 368 A C 0.850 178.434 177.584 0.000 0.000 1.278 368 A CA 0.307 52.345 52.037 0.002 0.000 0.903 368 A CB 0.115 19.116 19.000 0.003 0.000 0.997 368 A HN 0.399 nan 8.150 nan 0.000 0.510 369 G N -0.147 108.653 108.800 0.000 0.000 2.295 369 G HA2 -0.183 3.777 3.960 0.001 0.000 0.287 369 G HA3 -0.183 3.777 3.960 0.001 0.000 0.287 369 G C 0.170 175.067 174.900 -0.004 0.000 1.055 369 G CA 0.655 45.755 45.100 -0.001 0.000 0.922 369 G HN 1.036 nan 8.290 nan 0.000 0.503 370 S N -1.133 114.564 115.700 -0.005 0.000 2.472 370 S HA 0.612 5.082 4.470 0.001 0.000 0.303 370 S C 0.223 174.816 174.600 -0.012 0.000 1.099 370 S CA -0.023 58.171 58.200 -0.010 0.000 1.077 370 S CB 1.739 64.933 63.200 -0.010 0.000 1.031 370 S HN 0.309 nan 8.310 nan 0.000 0.487 371 D N 2.231 122.620 120.400 -0.018 0.000 2.556 371 D HA 0.291 4.931 4.640 0.001 0.000 0.237 371 D C -0.338 175.942 176.300 -0.033 0.000 1.296 371 D CA 0.008 53.996 54.000 -0.021 0.000 0.807 371 D CB 0.410 41.201 40.800 -0.015 0.000 1.084 371 D HN 0.396 nan 8.370 nan 0.000 0.510 372 R N 0.588 121.064 120.500 -0.040 0.000 2.538 372 R HA 0.614 4.955 4.340 0.001 0.000 0.292 372 R C -1.332 174.925 176.300 -0.072 0.000 1.008 372 R CA -0.597 55.468 56.100 -0.058 0.000 0.896 372 R CB 2.465 32.735 30.300 -0.050 0.000 1.187 372 R HN 0.099 nan 8.270 nan 0.000 0.440 373 I N 1.741 122.243 120.570 -0.113 0.000 2.730 373 I HA 0.603 4.773 4.170 0.001 0.000 0.298 373 I C -1.320 174.661 176.117 -0.227 0.000 1.089 373 I CA -1.040 60.170 61.300 -0.150 0.000 1.041 373 I CB 1.975 39.871 38.000 -0.172 0.000 1.235 373 I HN 0.529 nan 8.210 nan 0.000 0.423 374 R N 4.801 125.181 120.500 -0.201 0.000 2.621 374 R HA 0.534 4.875 4.340 0.001 0.000 0.284 374 R C -1.479 174.767 176.300 -0.091 0.000 0.998 374 R CA -0.382 55.602 56.100 -0.194 0.000 0.895 374 R CB 1.604 31.855 30.300 -0.081 0.000 1.195 374 R HN 0.299 nan 8.270 nan 0.000 0.450 375 F N 0.052 120.012 119.950 0.017 0.000 2.378 375 F HA 0.442 4.970 4.527 0.001 0.000 0.319 375 F C 1.022 176.847 175.800 0.042 0.000 1.155 375 F CA -0.320 57.696 58.000 0.027 0.000 1.157 375 F CB 1.262 40.270 39.000 0.014 0.000 1.252 375 F HN 0.237 nan 8.300 nan 0.000 0.550 376 T N 3.181 117.903 114.554 0.279 0.000 2.855 376 T HA 0.306 4.656 4.350 0.001 0.000 0.281 376 T C -2.121 172.659 174.700 0.134 0.000 1.007 376 T CA -1.285 60.941 62.100 0.210 0.000 1.009 376 T CB 1.875 70.883 68.868 0.234 0.000 0.983 376 T HN 0.199 nan 8.240 nan 0.000 0.455 377 P HA 0.098 nan 4.420 nan 0.000 0.252 377 P C -0.342 176.750 177.300 -0.347 0.000 1.265 377 P CA 0.585 63.612 63.100 -0.123 0.000 0.775 377 P CB -0.183 31.411 31.700 -0.176 0.000 1.128 378 Y N -0.858 119.463 120.300 0.035 0.000 2.715 378 Y HA 0.250 4.800 4.550 0.000 0.000 0.255 378 Y C 0.530 176.443 175.900 0.022 0.000 1.139 378 Y CA -0.373 57.741 58.100 0.023 0.000 1.151 378 Y CB -0.212 38.260 38.460 0.021 0.000 1.201 378 Y HN -0.117 nan 8.280 nan 0.000 0.556 379 Q N -0.675 119.182 119.800 0.094 0.000 2.493 379 Q HA -0.221 4.119 4.340 0.001 0.000 0.278 379 Q C -0.633 175.406 176.000 0.065 0.000 1.198 379 Q CA 0.677 56.504 55.803 0.040 0.000 0.880 379 Q CB -1.438 27.317 28.738 0.029 0.000 1.260 379 Q HN 0.370 nan 8.270 nan 0.000 0.470 380 K N 0.283 120.753 120.400 0.116 0.000 2.349 380 K HA 0.861 5.181 4.320 0.001 0.000 0.243 380 K C -0.524 176.192 176.600 0.193 0.000 1.058 380 K CA -0.792 55.572 56.287 0.129 0.000 0.871 380 K CB 1.327 33.907 32.500 0.134 0.000 1.337 380 K HN 0.205 nan 8.250 nan 0.000 0.469 381 L N -1.726 119.616 121.223 0.199 0.000 2.388 381 L HA 0.862 5.202 4.340 0.001 0.000 0.264 381 L C -0.780 176.174 176.870 0.141 0.000 0.998 381 L CA -1.324 53.667 54.840 0.253 0.000 0.817 381 L CB 1.843 44.126 42.059 0.374 0.000 1.338 381 L HN 0.375 nan 8.230 nan 0.000 0.414 382 V N 0.250 120.219 119.914 0.092 0.000 2.540 382 V HA 0.624 4.744 4.120 0.001 0.000 0.302 382 V C -0.423 175.671 176.094 -0.001 0.000 1.035 382 V CA -0.511 61.814 62.300 0.041 0.000 0.873 382 V CB 1.834 33.671 31.823 0.024 0.000 0.992 382 V HN 0.632 nan 8.190 nan 0.000 0.428 383 I N 5.626 126.197 120.570 0.000 0.000 2.331 383 I HA 0.479 4.649 4.170 0.001 0.000 0.292 383 I C 0.241 176.345 176.117 -0.022 0.000 0.998 383 I CA -0.531 60.760 61.300 -0.015 0.000 1.267 383 I CB 1.144 39.143 38.000 -0.002 0.000 1.386 383 I HN 0.620 nan 8.210 nan 0.000 0.476 384 L N 4.744 125.947 121.223 -0.034 0.000 2.431 384 L HA 0.345 4.685 4.340 0.001 0.000 0.260 384 L C 0.075 176.931 176.870 -0.023 0.000 1.098 384 L CA -0.674 54.146 54.840 -0.033 0.000 0.800 384 L CB 0.382 42.415 42.059 -0.043 0.000 1.210 384 L HN 0.601 nan 8.230 nan 0.000 0.465 385 D N 1.105 121.493 120.400 -0.020 0.000 2.737 385 D HA -0.162 4.478 4.640 0.001 0.000 0.238 385 D C -0.784 175.510 176.300 -0.010 0.000 1.157 385 D CA 0.631 54.622 54.000 -0.014 0.000 0.694 385 D CB -1.201 39.591 40.800 -0.015 0.000 1.021 385 D HN 0.099 nan 8.370 nan 0.000 0.420 386 I N 0.887 121.453 120.570 -0.007 0.000 2.328 386 I HA 0.238 4.408 4.170 0.001 0.000 0.287 386 I C -1.856 174.260 176.117 -0.002 0.000 1.012 386 I CA -2.290 59.008 61.300 -0.004 0.000 1.195 386 I CB 0.818 38.818 38.000 -0.001 0.000 1.350 386 I HN -0.206 nan 8.210 nan 0.000 0.464 387 P HA 0.074 nan 4.420 nan 0.000 0.268 387 P C 0.253 177.553 177.300 0.000 0.000 1.205 387 P CA -0.007 63.093 63.100 -0.001 0.000 0.771 387 P CB 1.257 32.957 31.700 -0.001 0.000 0.858 388 D N 2.393 122.794 120.400 0.000 0.000 2.170 388 D HA -0.233 4.407 4.640 0.001 0.000 0.193 388 D C 2.028 178.328 176.300 0.001 0.000 1.004 388 D CA 2.422 56.423 54.000 0.001 0.000 0.860 388 D CB -0.727 40.074 40.800 0.001 0.000 0.931 388 D HN 0.448 nan 8.370 nan 0.000 0.448 389 A N 0.381 123.202 122.820 0.001 0.000 1.851 389 A HA -0.134 4.186 4.320 0.001 0.000 0.216 389 A C 2.212 179.797 177.584 0.002 0.000 1.195 389 A CA 1.172 53.209 52.037 0.001 0.000 0.622 389 A CB -0.895 18.105 19.000 0.001 0.000 0.831 389 A HN 0.282 nan 8.150 nan 0.000 0.444 390 L N -0.315 120.909 121.223 0.002 0.000 2.650 390 L HA 0.006 4.347 4.340 0.001 0.000 0.235 390 L C 2.059 178.931 176.870 0.003 0.000 1.149 390 L CA -0.128 54.714 54.840 0.002 0.000 0.887 390 L CB -0.212 41.848 42.059 0.002 0.000 1.021 390 L HN 0.420 nan 8.230 nan 0.000 0.441 391 L N -0.394 120.830 121.223 0.003 0.000 2.095 391 L HA -0.077 4.263 4.340 0.001 0.000 0.204 391 L C 1.825 178.698 176.870 0.004 0.000 1.080 391 L CA 1.727 56.569 54.840 0.003 0.000 0.759 391 L CB -0.336 41.725 42.059 0.003 0.000 0.914 391 L HN 0.114 nan 8.230 nan 0.000 0.439 392 D N 0.154 120.556 120.400 0.003 0.000 2.106 392 D HA -0.215 4.426 4.640 0.001 0.000 0.191 392 D C 1.767 178.070 176.300 0.005 0.000 0.997 392 D CA 1.712 55.714 54.000 0.003 0.000 0.834 392 D CB -0.193 40.608 40.800 0.002 0.000 0.956 392 D HN 0.416 nan 8.370 nan 0.000 0.448 393 D N -0.267 120.136 120.400 0.005 0.000 2.182 393 D HA -0.133 4.507 4.640 0.001 0.000 0.201 393 D C 2.168 178.472 176.300 0.007 0.000 0.986 393 D CA 0.393 54.397 54.000 0.006 0.000 0.847 393 D CB -0.189 40.614 40.800 0.005 0.000 0.942 393 D HN 0.190 nan 8.370 nan 0.000 0.467 394 L N 1.021 122.249 121.223 0.008 0.000 2.044 394 L HA -0.086 4.254 4.340 0.001 0.000 0.205 394 L C 2.251 179.128 176.870 0.012 0.000 1.075 394 L CA 0.978 55.824 54.840 0.010 0.000 0.747 394 L CB -0.254 41.811 42.059 0.009 0.000 0.903 394 L HN -0.083 nan 8.230 nan 0.000 0.435 395 I N 0.069 120.645 120.570 0.010 0.000 2.194 395 I HA -0.339 3.831 4.170 0.001 0.000 0.246 395 I C 2.624 178.748 176.117 0.011 0.000 1.093 395 I CA 1.464 62.770 61.300 0.010 0.000 1.355 395 I CB -1.631 36.373 38.000 0.007 0.000 1.046 395 I HN 0.386 nan 8.210 nan 0.000 0.413 396 A N 1.424 124.250 122.820 0.009 0.000 1.858 396 A HA -0.082 4.238 4.320 0.001 0.000 0.216 396 A C 2.538 180.129 177.584 0.012 0.000 1.190 396 A CA 1.917 53.960 52.037 0.009 0.000 0.617 396 A CB -1.416 17.588 19.000 0.008 0.000 0.827 396 A HN 0.433 nan 8.150 nan 0.000 0.443 397 G N -0.393 108.415 108.800 0.013 0.000 2.432 397 G HA2 -0.145 3.815 3.960 0.001 0.000 0.219 397 G HA3 -0.145 3.815 3.960 0.001 0.000 0.219 397 G C 1.528 176.439 174.900 0.019 0.000 1.135 397 G CA 0.985 46.094 45.100 0.015 0.000 0.767 397 G HN 0.421 nan 8.290 nan 0.000 0.550 398 L N 0.203 121.438 121.223 0.021 0.000 2.093 398 L HA -0.041 4.300 4.340 0.001 0.000 0.208 398 L C 2.499 179.383 176.870 0.024 0.000 1.085 398 L CA 1.012 55.867 54.840 0.025 0.000 0.755 398 L CB -0.339 41.736 42.059 0.026 0.000 0.904 398 L HN 0.101 nan 8.230 nan 0.000 0.435 399 D N 0.547 120.958 120.400 0.019 0.000 2.078 399 D HA -0.157 4.483 4.640 0.001 0.000 0.193 399 D C 2.219 178.530 176.300 0.018 0.000 0.990 399 D CA 1.560 55.571 54.000 0.017 0.000 0.827 399 D CB -0.189 40.619 40.800 0.013 0.000 0.975 399 D HN 0.233 nan 8.370 nan 0.000 0.451 400 A N 0.193 123.023 122.820 0.016 0.000 2.148 400 A HA -0.167 4.153 4.320 0.001 0.000 0.222 400 A C 2.133 179.728 177.584 0.019 0.000 1.161 400 A CA 1.125 53.172 52.037 0.016 0.000 0.662 400 A CB -0.633 18.375 19.000 0.015 0.000 0.799 400 A HN 0.293 nan 8.150 nan 0.000 0.466 401 L N -2.443 118.793 121.223 0.022 0.000 2.616 401 L HA 0.290 4.630 4.340 0.001 0.000 0.229 401 L C 1.564 178.450 176.870 0.027 0.000 1.110 401 L CA 0.490 55.345 54.840 0.026 0.000 0.884 401 L CB 0.187 42.265 42.059 0.032 0.000 1.115 401 L HN 0.540 nan 8.230 nan 0.000 0.481 402 G N 0.916 109.731 108.800 0.024 0.000 2.132 402 G HA2 -0.247 3.713 3.960 0.001 0.000 0.234 402 G HA3 -0.247 3.713 3.960 0.001 0.000 0.234 402 G C 0.060 174.977 174.900 0.027 0.000 0.989 402 G CA -0.336 44.779 45.100 0.023 0.000 0.676 402 G HN 0.195 nan 8.290 nan 0.000 0.522 403 L N 1.586 122.828 121.223 0.031 0.000 2.314 403 L HA 0.365 4.705 4.340 0.001 0.000 0.275 403 L C 0.693 177.581 176.870 0.030 0.000 1.068 403 L CA -0.564 54.298 54.840 0.036 0.000 0.894 403 L CB 0.886 42.973 42.059 0.047 0.000 1.275 403 L HN 0.203 nan 8.230 nan 0.000 0.432 404 Q N 1.182 120.997 119.800 0.026 0.000 2.304 404 Q HA 0.086 4.427 4.340 0.001 0.000 0.260 404 Q C 0.949 176.958 176.000 0.015 0.000 0.965 404 Q CA -0.057 55.756 55.803 0.017 0.000 0.898 404 Q CB 1.669 30.414 28.738 0.011 0.000 1.196 404 Q HN 0.714 nan 8.270 nan 0.000 0.402 405 S N 2.849 118.555 115.700 0.009 0.000 2.517 405 S HA 0.069 4.540 4.470 0.001 0.000 0.214 405 S C 0.486 175.081 174.600 -0.009 0.000 0.991 405 S CA -0.307 57.897 58.200 0.007 0.000 0.906 405 S CB 0.414 63.620 63.200 0.010 0.000 0.789 405 S HN 0.551 nan 8.310 nan 0.000 0.513 406 R N 2.377 122.867 120.500 -0.017 0.000 2.651 406 R HA 0.408 4.748 4.340 0.001 0.000 0.282 406 R C -2.906 173.367 176.300 -0.045 0.000 1.565 406 R CA -1.523 54.555 56.100 -0.037 0.000 1.661 406 R CB 0.675 30.955 30.300 -0.035 0.000 1.189 406 R HN 0.381 nan 8.270 nan 0.000 0.621 407 P HA 0.052 nan 4.420 nan 0.000 0.276 407 P C 0.182 177.424 177.300 -0.098 0.000 1.261 407 P CA -0.292 62.781 63.100 -0.046 0.000 0.800 407 P CB 0.894 32.577 31.700 -0.028 0.000 1.066 408 S N -0.365 115.294 115.700 -0.068 0.000 2.600 408 S HA 0.053 4.523 4.470 0.001 0.000 0.265 408 S C 1.377 175.855 174.600 -0.202 0.000 1.325 408 S CA -0.158 57.967 58.200 -0.125 0.000 1.002 408 S CB -0.138 63.076 63.200 0.022 0.000 0.921 408 S HN 0.395 nan 8.310 nan 0.000 0.554 409 H N 0.696 119.539 119.070 -0.379 0.000 2.390 409 H HA -0.118 4.438 4.556 0.001 0.000 0.298 409 H C 1.562 176.627 175.328 -0.438 0.000 1.106 409 H CA 2.373 58.089 56.048 -0.553 0.000 1.297 409 H CB -0.254 28.923 29.762 -0.974 0.000 1.375 409 H HN 0.819 nan 8.280 nan 0.000 0.509 410 W N 0.629 121.991 121.300 0.104 0.000 2.443 410 W HA 0.040 4.700 4.660 0.001 0.000 0.296 410 W C 2.826 179.364 176.519 0.031 0.000 1.202 410 W CA 0.095 57.471 57.345 0.052 0.000 1.312 410 W CB -0.274 29.210 29.460 0.040 0.000 1.120 410 W HN -0.032 nan 8.180 nan 0.000 0.536 411 R N 1.258 121.880 120.500 0.204 0.000 2.152 411 R HA -0.119 4.221 4.340 0.001 0.000 0.232 411 R C 2.309 178.651 176.300 0.071 0.000 1.117 411 R CA 1.266 57.436 56.100 0.116 0.000 0.981 411 R CB -0.251 30.097 30.300 0.080 0.000 0.870 411 R HN 0.157 nan 8.270 nan 0.000 0.451 412 R N 0.200 120.721 120.500 0.035 0.000 2.055 412 R HA -0.013 4.327 4.340 0.001 0.000 0.228 412 R C 0.517 176.826 176.300 0.015 0.000 1.143 412 R CA 1.453 57.556 56.100 0.004 0.000 0.945 412 R CB 0.035 30.308 30.300 -0.044 0.000 0.841 412 R HN 0.282 nan 8.270 nan 0.000 0.429 413 N N 0.735 119.447 118.700 0.019 0.000 2.320 413 N HA 0.064 4.804 4.740 0.001 0.000 0.237 413 N C -0.566 174.991 175.510 0.079 0.000 1.129 413 N CA 0.025 53.084 53.050 0.015 0.000 0.854 413 N CB 0.883 39.344 38.487 -0.043 0.000 1.083 413 N HN 0.174 nan 8.380 nan 0.000 0.504 414 L N 1.024 122.312 121.223 0.108 0.000 2.309 414 L HA 0.479 4.819 4.340 0.001 0.000 0.282 414 L C -0.488 176.443 176.870 0.101 0.000 1.036 414 L CA -0.199 54.713 54.840 0.120 0.000 0.806 414 L CB 1.152 43.290 42.059 0.131 0.000 1.220 414 L HN -0.128 nan 8.230 nan 0.000 0.429 415 M N 3.971 123.632 119.600 0.100 0.000 2.501 415 M HA 0.732 5.212 4.480 0.001 0.000 0.293 415 M C -1.090 175.252 176.300 0.069 0.000 1.192 415 M CA -0.610 54.742 55.300 0.087 0.000 0.886 415 M CB 2.310 34.972 32.600 0.104 0.000 1.710 415 M HN 0.659 nan 8.290 nan 0.000 0.457 416 A N 1.132 123.981 122.820 0.049 0.000 2.594 416 A HA 0.768 5.088 4.320 0.001 0.000 0.295 416 A C -0.719 176.885 177.584 0.033 0.000 1.071 416 A CA -0.773 51.287 52.037 0.039 0.000 0.685 416 A CB 0.819 19.833 19.000 0.023 0.000 1.285 416 A HN 1.101 nan 8.150 nan 0.000 0.405 417 C N -0.322 119.000 119.300 0.038 0.000 2.534 417 C HA 0.771 5.232 4.460 0.001 0.000 0.398 417 C C 1.911 176.922 174.990 0.035 0.000 1.609 417 C CA 0.332 59.369 59.018 0.030 0.000 1.916 417 C CB 0.514 28.270 27.740 0.026 0.000 1.954 417 C HN 1.001 nan 8.230 nan 0.000 0.508 418 S N 0.717 116.443 115.700 0.043 0.000 2.356 418 S HA 0.342 4.813 4.470 0.001 0.000 0.223 418 S C 1.445 176.050 174.600 0.007 0.000 1.032 418 S CA 1.229 59.464 58.200 0.058 0.000 1.005 418 S CB -1.472 61.801 63.200 0.121 0.000 0.867 418 S HN 2.193 nan 8.310 nan 0.000 0.449 419 G N 1.382 110.189 108.800 0.011 0.000 2.569 419 G HA2 -0.303 3.658 3.960 0.001 0.000 0.259 419 G HA3 -0.303 3.658 3.960 0.001 0.000 0.259 419 G C 0.440 175.315 174.900 -0.041 0.000 1.263 419 G CA 0.072 45.172 45.100 0.000 0.000 0.928 419 G HN 0.473 nan 8.290 nan 0.000 0.572 420 I N 1.124 121.665 120.570 -0.049 0.000 3.291 420 I HA 0.041 4.211 4.170 0.001 0.000 0.279 420 I C 2.396 178.434 176.117 -0.133 0.000 1.294 420 I CA 1.563 62.825 61.300 -0.063 0.000 1.428 420 I CB -0.152 37.832 38.000 -0.026 0.000 1.070 420 I HN 0.708 nan 8.210 nan 0.000 0.478 421 E N 0.380 120.433 120.200 -0.244 0.000 2.209 421 E HA -0.223 4.128 4.350 0.001 0.000 0.196 421 E C 0.890 177.032 176.600 -0.763 0.000 0.993 421 E CA 1.446 57.525 56.400 -0.534 0.000 0.819 421 E CB 0.224 29.511 29.700 -0.689 0.000 0.745 421 E HN 0.511 nan 8.360 nan 0.000 0.477 422 F N -1.841 117.982 119.950 -0.212 0.000 2.897 422 F HA 0.187 4.715 4.527 0.001 0.000 0.377 422 F C 0.363 176.091 175.800 -0.120 0.000 0.917 422 F CA -0.767 57.064 58.000 -0.281 0.000 1.079 422 F CB 0.082 38.686 39.000 -0.660 0.000 1.068 422 F HN -0.075 nan 8.300 nan 0.000 0.581 423 C N 3.038 122.386 119.300 0.079 0.000 2.415 423 C HA 0.290 4.750 4.460 0.001 0.000 0.369 423 C C 1.531 176.517 174.990 -0.007 0.000 1.279 423 C CA -0.331 58.710 59.018 0.038 0.000 1.886 423 C CB -0.178 27.561 27.740 -0.001 0.000 2.468 423 C HN 0.410 nan 8.230 nan 0.000 0.553 424 K N 4.256 124.656 120.400 0.001 0.000 2.551 424 K HA 0.060 4.381 4.320 0.001 0.000 0.192 424 K C 0.751 177.306 176.600 -0.076 0.000 1.027 424 K CA 0.840 57.117 56.287 -0.017 0.000 1.059 424 K CB 0.084 32.595 32.500 0.019 0.000 0.831 424 K HN 0.715 nan 8.250 nan 0.000 0.508 425 L N -0.301 120.843 121.223 -0.132 0.000 2.840 425 L HA 0.095 4.435 4.340 0.001 0.000 0.249 425 L C 0.273 176.853 176.870 -0.484 0.000 1.119 425 L CA -0.240 54.448 54.840 -0.253 0.000 0.930 425 L CB 0.536 42.493 42.059 -0.171 0.000 1.295 425 L HN -0.043 nan 8.230 nan 0.000 0.534 426 S N -0.027 115.477 115.700 -0.327 0.000 2.576 426 S HA 0.264 4.735 4.470 0.001 0.000 0.276 426 S C 0.101 174.465 174.600 -0.394 0.000 1.339 426 S CA -0.350 57.663 58.200 -0.311 0.000 1.039 426 S CB 0.542 63.678 63.200 -0.108 0.000 0.902 426 S HN 0.060 nan 8.310 nan 0.000 0.516 427 F N 0.484 120.425 119.950 -0.016 0.000 2.664 427 F HA 0.595 5.122 4.527 0.001 0.000 0.303 427 F C 1.013 176.750 175.800 -0.104 0.000 1.092 427 F CA -0.015 57.955 58.000 -0.050 0.000 1.305 427 F CB -0.284 38.672 39.000 -0.074 0.000 1.054 427 F HN 0.831 nan 8.300 nan 0.000 0.565 428 A N -0.420 122.419 122.820 0.031 0.000 2.608 428 A HA 0.573 4.893 4.320 0.001 0.000 0.292 428 A C -1.280 176.331 177.584 0.044 0.000 1.066 428 A CA -0.809 51.208 52.037 -0.033 0.000 0.676 428 A CB 0.893 19.730 19.000 -0.272 0.000 1.277 428 A HN -0.028 nan 8.150 nan 0.000 0.413 429 E N 0.223 120.463 120.200 0.068 0.000 2.259 429 E HA 0.554 4.905 4.350 0.001 0.000 0.281 429 E C 0.867 177.550 176.600 0.137 0.000 1.027 429 E CA 0.593 57.031 56.400 0.064 0.000 0.838 429 E CB 0.997 30.716 29.700 0.032 0.000 1.066 429 E HN 0.768 nan 8.360 nan 0.000 0.401 430 T N 1.554 116.157 114.554 0.082 0.000 3.174 430 T HA 0.163 4.513 4.350 0.001 0.000 0.252 430 T C 1.708 176.419 174.700 0.019 0.000 0.984 430 T CA -0.091 62.054 62.100 0.076 0.000 1.113 430 T CB -0.271 68.652 68.868 0.091 0.000 1.088 430 T HN 0.348 nan 8.240 nan 0.000 0.442 431 R N 0.657 121.157 120.500 0.001 0.000 2.066 431 R HA 0.062 4.402 4.340 0.001 0.000 0.232 431 R C 2.376 178.660 176.300 -0.027 0.000 1.131 431 R CA 1.322 57.416 56.100 -0.010 0.000 0.955 431 R CB -0.530 29.767 30.300 -0.005 0.000 0.851 431 R HN 0.300 nan 8.270 nan 0.000 0.432 432 V N 0.781 120.674 119.914 -0.034 0.000 2.270 432 V HA -0.237 3.884 4.120 0.001 0.000 0.245 432 V C 2.414 178.513 176.094 0.009 0.000 1.043 432 V CA 2.021 64.303 62.300 -0.030 0.000 1.014 432 V CB -0.570 31.246 31.823 -0.011 0.000 0.645 432 V HN 0.344 nan 8.190 nan 0.000 0.447 433 R N 1.173 121.699 120.500 0.043 0.000 2.140 433 R HA -0.261 4.080 4.340 0.001 0.000 0.250 433 R C 2.065 178.378 176.300 0.023 0.000 1.150 433 R CA 2.309 58.447 56.100 0.063 0.000 0.966 433 R CB -0.865 29.462 30.300 0.046 0.000 0.869 433 R HN 0.466 nan 8.270 nan 0.000 0.445 434 A N 0.184 122.994 122.820 -0.017 0.000 1.933 434 A HA -0.174 4.146 4.320 0.001 0.000 0.218 434 A C 1.934 179.491 177.584 -0.045 0.000 1.175 434 A CA 1.513 53.532 52.037 -0.030 0.000 0.628 434 A CB -0.431 18.557 19.000 -0.020 0.000 0.814 434 A HN 0.496 nan 8.150 nan 0.000 0.444 435 Q N -0.697 119.036 119.800 -0.112 0.000 2.291 435 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 435 Q C 1.372 177.223 176.000 -0.249 0.000 0.976 435 Q CA 1.891 57.568 55.803 -0.210 0.000 0.875 435 Q CB -0.469 28.062 28.738 -0.345 0.000 0.927 435 Q HN 0.945 nan 8.270 nan 0.000 0.450 436 H N -0.991 118.074 119.070 -0.007 0.000 2.604 436 H HA 0.096 4.653 4.556 0.001 0.000 0.273 436 H C 1.730 177.045 175.328 -0.023 0.000 0.971 436 H CA -0.071 55.970 56.048 -0.012 0.000 1.249 436 H CB 0.453 30.206 29.762 -0.015 0.000 1.449 436 H HN 0.027 nan 8.280 nan 0.000 0.512 437 L N 0.481 121.745 121.223 0.067 0.000 2.109 437 L HA -0.071 4.269 4.340 0.001 0.000 0.207 437 L C 1.819 178.677 176.870 -0.020 0.000 1.086 437 L CA 0.983 55.822 54.840 -0.002 0.000 0.760 437 L CB -0.242 41.789 42.059 -0.047 0.000 0.910 437 L HN 0.060 nan 8.230 nan 0.000 0.437 438 V N 0.717 120.635 119.914 0.007 0.000 2.261 438 V HA -0.169 3.951 4.120 0.001 0.000 0.246 438 V C -0.168 175.954 176.094 0.046 0.000 1.047 438 V CA 2.259 64.584 62.300 0.041 0.000 1.015 438 V CB -1.632 30.230 31.823 0.064 0.000 0.642 438 V HN 0.374 nan 8.190 nan 0.000 0.446 439 P HA -0.154 nan 4.420 nan 0.000 0.218 439 P C 1.609 178.925 177.300 0.027 0.000 1.149 439 P CA 1.382 64.511 63.100 0.048 0.000 0.817 439 P CB 0.053 31.785 31.700 0.053 0.000 0.785 440 E N 0.212 120.415 120.200 0.004 0.000 2.038 440 E HA -0.184 4.166 4.350 0.001 0.000 0.195 440 E C 1.870 178.420 176.600 -0.083 0.000 1.000 440 E CA 1.178 57.560 56.400 -0.029 0.000 0.803 440 E CB -0.664 29.014 29.700 -0.037 0.000 0.750 440 E HN 0.124 nan 8.360 nan 0.000 0.448 441 L N 0.767 121.890 121.223 -0.167 0.000 2.079 441 L HA -0.207 4.134 4.340 0.001 0.000 0.210 441 L C 2.532 179.251 176.870 -0.252 0.000 1.081 441 L CA 1.463 56.061 54.840 -0.404 0.000 0.752 441 L CB -0.453 41.173 42.059 -0.722 0.000 0.896 441 L HN 0.204 nan 8.230 nan 0.000 0.433 442 E N 0.191 120.401 120.200 0.018 0.000 2.085 442 E HA -0.253 4.098 4.350 0.001 0.000 0.194 442 E C 2.287 178.967 176.600 0.132 0.000 0.994 442 E CA 1.685 58.209 56.400 0.206 0.000 0.801 442 E CB -0.025 29.779 29.700 0.174 0.000 0.743 442 E HN 0.610 nan 8.360 nan 0.000 0.453 443 R N 0.113 120.647 120.500 0.057 0.000 2.090 443 R HA 0.156 4.496 4.340 0.001 0.000 0.219 443 R C 2.284 178.597 176.300 0.022 0.000 1.100 443 R CA -0.014 56.111 56.100 0.043 0.000 0.991 443 R CB -0.275 30.043 30.300 0.029 0.000 0.893 443 R HN -0.104 nan 8.270 nan 0.000 0.443 444 R N 1.064 121.553 120.500 -0.018 0.000 2.119 444 R HA -0.084 4.256 4.340 0.001 0.000 0.246 444 R C 1.516 177.807 176.300 -0.016 0.000 1.146 444 R CA 1.403 57.480 56.100 -0.038 0.000 0.962 444 R CB -0.309 29.933 30.300 -0.095 0.000 0.863 444 R HN 0.329 nan 8.270 nan 0.000 0.442 445 L N 0.207 121.432 121.223 0.005 0.000 3.122 445 L HA 0.145 4.486 4.340 0.001 0.000 0.274 445 L C 1.887 178.883 176.870 0.210 0.000 1.222 445 L CA -0.187 54.711 54.840 0.096 0.000 1.028 445 L CB 0.389 42.494 42.059 0.077 0.000 1.386 445 L HN 0.007 nan 8.230 nan 0.000 0.578 446 E N 1.422 121.718 120.200 0.161 0.000 2.110 446 E HA -0.293 4.057 4.350 0.001 0.000 0.193 446 E C 1.464 178.126 176.600 0.104 0.000 0.988 446 E CA 1.513 58.000 56.400 0.146 0.000 0.804 446 E CB 0.130 29.890 29.700 0.100 0.000 0.745 446 E HN 0.559 nan 8.360 nan 0.000 0.458 447 D N 0.774 121.222 120.400 0.080 0.000 2.200 447 D HA -0.243 4.397 4.640 0.001 0.000 0.192 447 D C 1.628 177.964 176.300 0.059 0.000 1.008 447 D CA 1.367 55.401 54.000 0.056 0.000 0.872 447 D CB -0.232 40.593 40.800 0.043 0.000 0.923 447 D HN 0.325 nan 8.370 nan 0.000 0.447 448 I N 0.175 120.799 120.570 0.091 0.000 3.941 448 I HA 0.067 4.237 4.170 0.001 0.000 0.335 448 I C 1.395 177.567 176.117 0.093 0.000 1.402 448 I CA -0.133 61.216 61.300 0.081 0.000 1.112 448 I CB 0.029 38.087 38.000 0.096 0.000 1.043 448 I HN -0.120 nan 8.210 nan 0.000 0.395 449 N N 0.450 119.213 118.700 0.104 0.000 2.084 449 N HA -0.189 4.551 4.740 0.001 0.000 0.190 449 N C 1.954 177.503 175.510 0.065 0.000 1.030 449 N CA 1.977 55.091 53.050 0.106 0.000 0.849 449 N CB 0.067 38.612 38.487 0.096 0.000 1.012 449 N HN 0.315 nan 8.380 nan 0.000 0.423 450 S N -0.344 115.377 115.700 0.036 0.000 2.440 450 S HA -0.158 4.312 4.470 0.001 0.000 0.238 450 S C 1.776 176.381 174.600 0.008 0.000 1.010 450 S CA 0.849 59.059 58.200 0.016 0.000 0.972 450 S CB -0.354 62.849 63.200 0.004 0.000 0.774 450 S HN 0.407 nan 8.310 nan 0.000 0.501 451 Q N 0.285 120.087 119.800 0.004 0.000 2.311 451 Q HA 0.219 4.560 4.340 0.001 0.000 0.203 451 Q C -0.003 175.982 176.000 -0.025 0.000 0.954 451 Q CA 0.455 56.244 55.803 -0.024 0.000 0.885 451 Q CB -0.146 28.565 28.738 -0.045 0.000 0.963 451 Q HN 0.517 nan 8.270 nan 0.000 0.471 452 L N 1.853 123.074 121.223 -0.003 0.000 2.312 452 L HA 0.068 4.408 4.340 0.001 0.000 0.287 452 L C -0.039 176.821 176.870 -0.016 0.000 1.091 452 L CA -0.683 54.130 54.840 -0.045 0.000 0.846 452 L CB 0.770 42.734 42.059 -0.158 0.000 1.219 452 L HN 0.199 nan 8.230 nan 0.000 0.439 453 D N 1.551 121.933 120.400 -0.029 0.000 2.202 453 D HA -0.033 4.607 4.640 0.001 0.000 0.214 453 D C 0.761 177.026 176.300 -0.058 0.000 0.967 453 D CA 0.309 54.300 54.000 -0.016 0.000 0.871 453 D CB 0.082 40.872 40.800 -0.016 0.000 1.020 453 D HN 0.212 nan 8.370 nan 0.000 0.474 454 V N 1.347 121.191 119.914 -0.117 0.000 2.716 454 V HA 0.459 4.579 4.120 0.001 0.000 0.304 454 V C -2.402 173.488 176.094 -0.340 0.000 1.053 454 V CA -1.963 60.206 62.300 -0.218 0.000 0.984 454 V CB 1.822 33.537 31.823 -0.181 0.000 1.021 454 V HN 0.062 nan 8.190 nan 0.000 0.467 455 P HA 0.507 nan 4.420 nan 0.000 0.285 455 P C -1.354 175.694 177.300 -0.420 0.000 1.280 455 P CA -0.748 61.966 63.100 -0.643 0.000 0.862 455 P CB 1.356 32.815 31.700 -0.402 0.000 1.153 456 I N 0.924 121.213 120.570 -0.467 0.000 2.336 456 I HA 0.266 4.436 4.170 0.001 0.000 0.292 456 I C 0.659 176.670 176.117 -0.177 0.000 0.991 456 I CA 0.108 61.206 61.300 -0.337 0.000 1.227 456 I CB 0.849 38.681 38.000 -0.280 0.000 1.366 456 I HN 0.316 nan 8.210 nan 0.000 0.466 457 T N 3.933 118.403 114.554 -0.140 0.000 2.806 457 T HA 0.649 4.999 4.350 0.001 0.000 0.290 457 T C -0.274 174.429 174.700 0.005 0.000 0.966 457 T CA -0.698 61.380 62.100 -0.037 0.000 1.060 457 T CB 0.987 69.849 68.868 -0.012 0.000 0.927 457 T HN 0.205 nan 8.240 nan 0.000 0.485 458 V N 3.844 123.809 119.914 0.085 0.000 2.376 458 V HA 0.422 4.543 4.120 0.001 0.000 0.287 458 V C -0.758 175.420 176.094 0.141 0.000 1.015 458 V CA -0.968 61.413 62.300 0.133 0.000 0.834 458 V CB 1.243 33.194 31.823 0.214 0.000 1.001 458 V HN 0.849 nan 8.190 nan 0.000 0.428 459 N N 4.826 123.604 118.700 0.130 0.000 2.417 459 N HA 0.596 5.336 4.740 0.001 0.000 0.274 459 N C -0.791 174.832 175.510 0.189 0.000 0.987 459 N CA -0.281 52.845 53.050 0.126 0.000 0.912 459 N CB 2.010 40.545 38.487 0.079 0.000 1.177 459 N HN 0.550 nan 8.380 nan 0.000 0.490 460 I N 2.035 122.686 120.570 0.136 0.000 2.328 460 I HA 0.271 4.441 4.170 0.001 0.000 0.287 460 I C -0.112 176.062 176.117 0.094 0.000 1.012 460 I CA -0.464 60.881 61.300 0.076 0.000 1.195 460 I CB 0.628 38.570 38.000 -0.096 0.000 1.350 460 I HN 0.241 nan 8.210 nan 0.000 0.464 461 N N 4.000 122.801 118.700 0.168 0.000 2.361 461 N HA 0.270 5.011 4.740 0.001 0.000 0.302 461 N C 0.828 176.500 175.510 0.270 0.000 1.074 461 N CA -0.304 52.849 53.050 0.172 0.000 0.850 461 N CB 2.541 41.101 38.487 0.121 0.000 1.228 461 N HN 0.726 nan 8.380 nan 0.000 0.491 462 G N 0.594 109.495 108.800 0.168 0.000 2.394 462 G HA2 -0.092 3.869 3.960 0.001 0.000 0.214 462 G HA3 -0.092 3.869 3.960 0.001 0.000 0.214 462 G C 0.717 175.686 174.900 0.116 0.000 1.176 462 G CA 0.858 46.040 45.100 0.137 0.000 0.786 462 G HN 0.714 nan 8.290 nan 0.000 0.533 463 C N -3.166 116.184 119.300 0.083 0.000 3.307 463 C HA 0.746 5.206 4.460 0.001 0.000 0.350 463 C C -2.040 173.027 174.990 0.128 0.000 1.549 463 C CA -1.233 57.852 59.018 0.113 0.000 1.396 463 C CB 1.538 29.220 27.740 -0.095 0.000 1.970 463 C HN 0.121 nan 8.230 nan 0.000 0.441 464 P HA 0.068 nan 4.420 nan 0.000 0.253 464 P C 0.455 177.783 177.300 0.045 0.000 1.281 464 P CA 0.891 64.052 63.100 0.102 0.000 0.792 464 P CB -0.254 31.522 31.700 0.126 0.000 1.193 465 N N 0.205 118.923 118.700 0.030 0.000 2.354 465 N HA -0.078 4.662 4.740 0.001 0.000 0.179 465 N C 0.899 176.399 175.510 -0.017 0.000 1.021 465 N CA 0.820 53.873 53.050 0.004 0.000 0.887 465 N CB -0.633 37.848 38.487 -0.010 0.000 0.974 465 N HN 0.033 nan 8.380 nan 0.000 0.437 466 S N -1.326 114.366 115.700 -0.013 0.000 3.593 466 S HA -0.194 4.277 4.470 0.001 0.000 0.301 466 S C 1.306 175.887 174.600 -0.031 0.000 1.209 466 S CA 0.438 58.620 58.200 -0.030 0.000 0.878 466 S CB -2.020 61.141 63.200 -0.065 0.000 1.000 466 S HN 0.486 nan 8.310 nan 0.000 0.578 467 C N 0.568 119.852 119.300 -0.027 0.000 2.398 467 C HA 0.012 4.472 4.460 0.001 0.000 0.282 467 C C 2.408 177.379 174.990 -0.032 0.000 1.275 467 C CA 1.188 60.183 59.018 -0.038 0.000 1.797 467 C CB -1.636 26.079 27.740 -0.042 0.000 1.991 467 C HN 1.013 nan 8.230 nan 0.000 0.505 468 A N -0.879 121.934 122.820 -0.011 0.000 2.708 468 A HA 0.536 4.856 4.320 0.001 0.000 0.293 468 A C 0.548 178.135 177.584 0.006 0.000 1.303 468 A CA -0.333 51.704 52.037 0.001 0.000 0.949 468 A CB -0.247 18.769 19.000 0.026 0.000 1.121 468 A HN 0.520 nan 8.150 nan 0.000 0.542 469 R N -0.845 119.646 120.500 -0.015 0.000 2.994 469 R HA -0.162 4.178 4.340 0.001 0.000 0.267 469 R C 0.496 176.790 176.300 -0.010 0.000 0.914 469 R CA 0.531 56.623 56.100 -0.013 0.000 0.668 469 R CB -2.448 27.851 30.300 -0.002 0.000 1.524 469 R HN 0.650 nan 8.270 nan 0.000 0.478 470 I N 0.541 121.075 120.570 -0.059 0.000 2.179 470 I HA -0.332 3.838 4.170 0.001 0.000 0.242 470 I C 1.930 177.974 176.117 -0.122 0.000 1.088 470 I CA 1.600 62.820 61.300 -0.133 0.000 1.357 470 I CB -0.067 37.746 38.000 -0.312 0.000 1.051 470 I HN 0.465 nan 8.210 nan 0.000 0.409 471 Q N 0.361 120.115 119.800 -0.075 0.000 2.432 471 Q HA 0.088 4.429 4.340 0.001 0.000 0.205 471 Q C 1.311 177.437 176.000 0.209 0.000 0.945 471 Q CA 0.636 56.483 55.803 0.074 0.000 0.924 471 Q CB 0.098 28.880 28.738 0.073 0.000 1.016 471 Q HN 0.699 nan 8.270 nan 0.000 0.503 472 I N -3.687 116.965 120.570 0.137 0.000 3.816 472 I HA 0.604 4.775 4.170 0.001 0.000 0.334 472 I C -0.032 176.150 176.117 0.109 0.000 1.551 472 I CA -0.837 60.537 61.300 0.123 0.000 1.153 472 I CB 0.296 38.345 38.000 0.082 0.000 1.197 472 I HN -0.167 nan 8.210 nan 0.000 0.439 473 A N 0.555 123.433 122.820 0.097 0.000 2.320 473 A HA 0.422 4.742 4.320 0.001 0.000 0.334 473 A C 0.530 178.160 177.584 0.077 0.000 1.147 473 A CA -0.463 51.616 52.037 0.071 0.000 0.820 473 A CB 1.094 20.117 19.000 0.039 0.000 1.218 473 A HN 0.253 nan 8.150 nan 0.000 0.482 474 D N 0.301 120.717 120.400 0.028 0.000 2.104 474 D HA -0.078 4.562 4.640 0.001 0.000 0.194 474 D C 0.154 176.478 176.300 0.041 0.000 0.994 474 D CA 1.899 55.907 54.000 0.014 0.000 0.830 474 D CB 0.085 40.719 40.800 -0.275 0.000 0.959 474 D HN 0.528 nan 8.370 nan 0.000 0.452 475 I N 0.327 120.854 120.570 -0.071 0.000 2.439 475 I HA 0.362 4.533 4.170 0.001 0.000 0.283 475 I C 0.347 176.319 176.117 -0.242 0.000 1.023 475 I CA -0.629 60.607 61.300 -0.105 0.000 1.100 475 I CB 2.205 40.153 38.000 -0.086 0.000 1.238 475 I HN -0.207 nan 8.210 nan 0.000 0.445 476 G N 4.992 113.621 108.800 -0.285 0.000 2.454 476 G HA2 0.780 4.741 3.960 0.001 0.000 0.329 476 G HA3 0.780 4.741 3.960 0.001 0.000 0.329 476 G C -1.392 173.222 174.900 -0.477 0.000 1.177 476 G CA -0.339 44.611 45.100 -0.251 0.000 0.951 476 G HN 0.290 nan 8.290 nan 0.000 0.485 477 F N -0.029 119.936 119.950 0.026 0.000 2.507 477 F HA 0.460 4.987 4.527 0.000 0.000 0.328 477 F C 0.359 176.262 175.800 0.173 0.000 1.136 477 F CA -0.817 57.213 58.000 0.050 0.000 0.930 477 F CB 2.854 41.707 39.000 -0.245 0.000 1.166 477 F HN 0.216 nan 8.300 nan 0.000 0.436 478 K N 2.441 123.107 120.400 0.444 0.000 2.347 478 K HA 0.490 4.810 4.320 0.001 0.000 0.262 478 K C 0.199 177.039 176.600 0.400 0.000 1.052 478 K CA -0.406 56.082 56.287 0.335 0.000 0.946 478 K CB 0.821 33.467 32.500 0.244 0.000 1.220 478 K HN 0.861 nan 8.250 nan 0.000 0.450 479 G N 4.095 113.146 108.800 0.418 0.000 2.335 479 G HA2 0.022 3.982 3.960 0.001 0.000 0.268 479 G HA3 0.022 3.982 3.960 0.001 0.000 0.268 479 G C -0.546 174.449 174.900 0.159 0.000 1.228 479 G CA -0.056 45.138 45.100 0.157 0.000 0.968 479 G HN 0.705 nan 8.290 nan 0.000 0.459 480 Q N 2.215 121.989 119.800 -0.043 0.000 2.456 480 Q HA 0.520 4.860 4.340 0.001 0.000 0.283 480 Q C -0.657 175.187 176.000 -0.261 0.000 1.084 480 Q CA -1.293 54.415 55.803 -0.159 0.000 0.801 480 Q CB 1.445 30.064 28.738 -0.199 0.000 1.434 480 Q HN 0.293 nan 8.270 nan 0.000 0.419 481 M N 2.745 122.083 119.600 -0.437 0.000 2.228 481 M HA 0.353 4.834 4.480 0.001 0.000 0.351 481 M C -0.049 176.119 176.300 -0.219 0.000 1.233 481 M CA -0.006 55.135 55.300 -0.266 0.000 1.129 481 M CB -0.051 32.388 32.600 -0.269 0.000 1.604 481 M HN 0.738 nan 8.290 nan 0.000 0.457 482 I N -0.877 119.604 120.570 -0.149 0.000 2.892 482 I HA 0.627 4.797 4.170 0.001 0.000 0.306 482 I C -0.903 175.169 176.117 -0.075 0.000 1.078 482 I CA -1.002 60.230 61.300 -0.113 0.000 1.032 482 I CB 2.367 40.304 38.000 -0.105 0.000 1.229 482 I HN 0.340 nan 8.210 nan 0.000 0.435 483 D N 1.878 122.246 120.400 -0.054 0.000 2.168 483 D HA 0.351 4.991 4.640 0.001 0.000 0.246 483 D C -1.005 175.286 176.300 -0.015 0.000 1.050 483 D CA 0.124 54.110 54.000 -0.022 0.000 0.857 483 D CB 1.716 42.521 40.800 0.008 0.000 1.169 483 D HN 0.572 nan 8.370 nan 0.000 0.453 484 D N 1.537 121.933 120.400 -0.005 0.000 3.008 484 D HA 0.399 5.039 4.640 0.001 0.000 0.312 484 D C 0.330 176.635 176.300 0.009 0.000 1.361 484 D CA -0.077 53.920 54.000 -0.005 0.000 0.858 484 D CB 0.165 40.957 40.800 -0.013 0.000 1.098 484 D HN 0.577 nan 8.370 nan 0.000 0.482 485 G N 1.542 110.359 108.800 0.029 0.000 2.215 485 G HA2 -0.267 3.693 3.960 0.001 0.000 0.198 485 G HA3 -0.267 3.693 3.960 0.001 0.000 0.198 485 G C 0.436 175.393 174.900 0.095 0.000 1.047 485 G CA -0.118 45.009 45.100 0.046 0.000 0.747 485 G HN 0.612 nan 8.290 nan 0.000 0.495 486 H N -1.731 117.324 119.070 -0.025 0.000 2.684 486 H HA -0.263 4.293 4.556 0.001 0.000 0.309 486 H C 1.558 176.873 175.328 -0.022 0.000 1.102 486 H CA 1.384 57.417 56.048 -0.025 0.000 1.147 486 H CB -0.957 28.791 29.762 -0.023 0.000 1.391 486 H HN 1.045 nan 8.280 nan 0.000 0.398 487 G N -0.854 107.899 108.800 -0.080 0.000 2.763 487 G HA2 0.432 4.392 3.960 0.001 0.000 0.205 487 G HA3 0.432 4.392 3.960 0.001 0.000 0.205 487 G C 0.553 175.384 174.900 -0.115 0.000 1.137 487 G CA 0.601 45.632 45.100 -0.115 0.000 0.839 487 G HN 0.621 nan 8.290 nan 0.000 0.596 488 G N -0.559 108.200 108.800 -0.069 0.000 2.755 488 G HA2 0.425 4.386 3.960 0.001 0.000 0.297 488 G HA3 0.425 4.386 3.960 0.001 0.000 0.297 488 G C -1.425 173.453 174.900 -0.037 0.000 1.441 488 G CA -0.164 44.904 45.100 -0.054 0.000 0.964 488 G HN 0.198 nan 8.290 nan 0.000 0.540 489 S N -0.267 115.410 115.700 -0.038 0.000 2.489 489 S HA 0.626 5.096 4.470 0.001 0.000 0.277 489 S C 0.377 174.958 174.600 -0.031 0.000 1.230 489 S CA -0.406 57.770 58.200 -0.041 0.000 1.053 489 S CB 0.588 63.756 63.200 -0.054 0.000 0.955 489 S HN 0.653 nan 8.310 nan 0.000 0.488 490 V N 4.052 123.941 119.914 -0.042 0.000 3.113 490 V HA 0.498 4.618 4.120 0.001 0.000 0.316 490 V C -0.202 175.850 176.094 -0.070 0.000 1.125 490 V CA -1.319 60.957 62.300 -0.039 0.000 1.026 490 V CB 1.906 33.709 31.823 -0.033 0.000 1.080 490 V HN 0.885 nan 8.190 nan 0.000 0.444 491 E N 1.079 121.234 120.200 -0.074 0.000 2.324 491 E HA 0.562 4.913 4.350 0.001 0.000 0.271 491 E C 0.038 176.490 176.600 -0.245 0.000 1.028 491 E CA -0.154 56.156 56.400 -0.150 0.000 0.890 491 E CB 1.087 30.711 29.700 -0.126 0.000 1.004 491 E HN 0.882 nan 8.360 nan 0.000 0.431 492 G N 2.417 110.998 108.800 -0.365 0.000 3.015 492 G HA2 0.646 4.606 3.960 0.001 0.000 0.281 492 G HA3 0.646 4.606 3.960 0.001 0.000 0.281 492 G C -1.497 172.978 174.900 -0.707 0.000 1.386 492 G CA -0.979 43.892 45.100 -0.381 0.000 0.959 492 G HN 0.438 nan 8.290 nan 0.000 0.522 493 F N -0.698 119.261 119.950 0.016 0.000 2.578 493 F HA 0.500 5.027 4.527 0.001 0.000 0.311 493 F C 0.120 175.982 175.800 0.103 0.000 1.094 493 F CA -0.768 57.294 58.000 0.103 0.000 0.923 493 F CB 2.590 41.697 39.000 0.179 0.000 1.230 493 F HN 0.250 nan 8.300 nan 0.000 0.450 494 Q N 1.606 121.601 119.800 0.325 0.000 2.222 494 Q HA 0.630 4.970 4.340 0.001 0.000 0.252 494 Q C -1.197 174.972 176.000 0.282 0.000 0.926 494 Q CA -0.755 55.188 55.803 0.232 0.000 0.899 494 Q CB 2.398 31.240 28.738 0.174 0.000 1.250 494 Q HN 0.554 nan 8.270 nan 0.000 0.441 495 V N 3.575 123.603 119.914 0.190 0.000 2.439 495 V HA 0.316 4.436 4.120 0.001 0.000 0.282 495 V C -0.213 175.902 176.094 0.034 0.000 1.039 495 V CA -0.552 61.781 62.300 0.055 0.000 0.913 495 V CB 1.259 33.058 31.823 -0.039 0.000 0.983 495 V HN 0.696 nan 8.190 nan 0.000 0.460 496 H N 4.803 123.818 119.070 -0.091 0.000 2.469 496 H HA 0.661 5.218 4.556 0.001 0.000 0.342 496 H C -1.000 174.311 175.328 -0.030 0.000 1.115 496 H CA -0.529 55.496 56.048 -0.038 0.000 1.204 496 H CB 2.278 32.030 29.762 -0.016 0.000 1.492 496 H HN 0.425 nan 8.280 nan 0.000 0.499 497 L N 0.335 121.613 121.223 0.092 0.000 2.370 497 L HA 0.364 4.704 4.340 0.001 0.000 0.266 497 L C 0.842 177.781 176.870 0.115 0.000 1.002 497 L CA -0.629 54.278 54.840 0.112 0.000 0.818 497 L CB 2.148 44.243 42.059 0.059 0.000 1.325 497 L HN 0.975 nan 8.230 nan 0.000 0.418 498 G N 1.480 110.392 108.800 0.186 0.000 2.221 498 G HA2 -0.169 3.791 3.960 0.001 0.000 0.265 498 G HA3 -0.169 3.791 3.960 0.001 0.000 0.265 498 G C 0.245 175.249 174.900 0.173 0.000 1.041 498 G CA 0.148 45.334 45.100 0.144 0.000 0.807 498 G HN 1.027 nan 8.290 nan 0.000 0.502 499 G N -0.053 108.872 108.800 0.208 0.000 2.389 499 G HA2 0.818 4.778 3.960 0.001 0.000 0.328 499 G HA3 0.818 4.778 3.960 0.001 0.000 0.328 499 G C -0.476 174.582 174.900 0.263 0.000 1.133 499 G CA 0.040 45.282 45.100 0.237 0.000 0.891 499 G HN 1.422 nan 8.290 nan 0.000 0.485 500 H N 0.534 119.599 119.070 -0.009 0.000 3.094 500 H HA 0.341 4.897 4.556 0.001 0.000 0.335 500 H C -1.334 173.953 175.328 -0.069 0.000 1.254 500 H CA -0.855 55.184 56.048 -0.017 0.000 1.240 500 H CB 0.322 30.085 29.762 0.002 0.000 1.936 500 H HN 0.372 nan 8.280 nan 0.000 0.536 501 L N 1.206 122.355 121.223 -0.123 0.000 2.855 501 L HA 0.542 4.882 4.340 0.001 0.000 0.204 501 L C 1.644 178.419 176.870 -0.157 0.000 1.206 501 L CA 0.176 54.879 54.840 -0.228 0.000 0.942 501 L CB -0.168 41.789 42.059 -0.170 0.000 1.832 501 L HN 1.075 nan 8.230 nan 0.000 0.522 502 G N -0.245 108.479 108.800 -0.125 0.000 2.547 502 G HA2 -0.327 3.634 3.960 0.001 0.000 0.271 502 G HA3 -0.327 3.634 3.960 0.001 0.000 0.271 502 G C -0.603 174.282 174.900 -0.024 0.000 1.209 502 G CA 0.129 45.210 45.100 -0.031 0.000 0.959 502 G HN 0.521 nan 8.290 nan 0.000 0.563 503 L N 1.973 123.223 121.223 0.044 0.000 2.540 503 L HA 0.375 4.715 4.340 0.001 0.000 0.276 503 L C 0.793 177.711 176.870 0.079 0.000 1.212 503 L CA 1.599 56.474 54.840 0.059 0.000 0.893 503 L CB -0.127 41.966 42.059 0.058 0.000 1.138 503 L HN 0.761 nan 8.230 nan 0.000 0.491 504 D N 2.571 122.986 120.400 0.025 0.000 2.772 504 D HA -0.229 4.412 4.640 0.001 0.000 0.233 504 D C 0.371 176.557 176.300 -0.190 0.000 1.143 504 D CA 0.988 54.986 54.000 -0.003 0.000 0.700 504 D CB -1.417 39.441 40.800 0.096 0.000 1.076 504 D HN 0.909 nan 8.370 nan 0.000 0.430 505 A N 0.168 122.805 122.820 -0.305 0.000 2.591 505 A HA 0.423 4.744 4.320 0.001 0.000 0.244 505 A C 1.209 178.467 177.584 -0.544 0.000 1.031 505 A CA 1.271 52.981 52.037 -0.543 0.000 0.767 505 A CB 0.321 19.102 19.000 -0.365 0.000 0.942 505 A HN 0.692 nan 8.150 nan 0.000 0.514 506 G N 0.871 109.266 108.800 -0.675 0.000 2.623 506 G HA2 0.596 4.557 3.960 0.001 0.000 0.290 506 G HA3 0.596 4.557 3.960 0.001 0.000 0.290 506 G C -0.883 173.729 174.900 -0.480 0.000 1.437 506 G CA -0.877 43.867 45.100 -0.594 0.000 0.798 506 G HN 0.485 nan 8.290 nan 0.000 0.488 507 F N 0.088 120.036 119.950 -0.004 0.000 2.375 507 F HA 0.671 5.198 4.527 0.001 0.000 0.317 507 F C 1.291 177.136 175.800 0.074 0.000 1.124 507 F CA -0.154 57.868 58.000 0.035 0.000 1.050 507 F CB 0.799 39.820 39.000 0.034 0.000 1.314 507 F HN 0.595 nan 8.300 nan 0.000 0.511 508 G N -0.259 108.742 108.800 0.334 0.000 2.476 508 G HA2 0.484 4.445 3.960 0.001 0.000 0.269 508 G HA3 0.484 4.445 3.960 0.001 0.000 0.269 508 G C -0.778 174.206 174.900 0.139 0.000 1.195 508 G CA -1.007 44.223 45.100 0.217 0.000 0.843 508 G HN 0.712 nan 8.290 nan 0.000 0.545 509 R N 0.662 121.179 120.500 0.028 0.000 2.404 509 R HA 0.539 4.879 4.340 0.001 0.000 0.291 509 R C -0.512 175.689 176.300 -0.166 0.000 1.025 509 R CA -0.796 55.269 56.100 -0.059 0.000 0.991 509 R CB 1.266 31.526 30.300 -0.066 0.000 1.053 509 R HN 0.218 nan 8.270 nan 0.000 0.479 510 K N 1.748 121.995 120.400 -0.254 0.000 2.102 510 K HA 0.359 4.680 4.320 0.001 0.000 0.244 510 K C -0.304 176.198 176.600 -0.164 0.000 1.021 510 K CA -0.448 55.654 56.287 -0.308 0.000 0.913 510 K CB 0.720 33.012 32.500 -0.347 0.000 1.062 510 K HN 0.402 nan 8.250 nan 0.000 0.485 511 L N 1.758 122.909 121.223 -0.120 0.000 2.322 511 L HA 0.392 4.733 4.340 0.001 0.000 0.279 511 L C 1.605 178.467 176.870 -0.013 0.000 1.036 511 L CA -0.738 54.054 54.840 -0.081 0.000 0.807 511 L CB 1.510 43.479 42.059 -0.151 0.000 1.226 511 L HN 0.584 nan 8.230 nan 0.000 0.433 512 R N 0.920 121.414 120.500 -0.010 0.000 2.092 512 R HA -0.077 4.263 4.340 0.001 0.000 0.226 512 R C 0.775 177.090 176.300 0.024 0.000 1.140 512 R CA 1.545 57.644 56.100 -0.002 0.000 0.910 512 R CB 0.151 30.445 30.300 -0.010 0.000 0.822 512 R HN 0.623 nan 8.270 nan 0.000 0.433 513 Q N 0.420 120.249 119.800 0.047 0.000 2.553 513 Q HA 0.049 4.389 4.340 0.001 0.000 0.395 513 Q C -1.400 174.647 176.000 0.079 0.000 0.971 513 Q CA -0.120 55.709 55.803 0.042 0.000 1.090 513 Q CB 0.241 28.992 28.738 0.022 0.000 1.328 513 Q HN 0.290 nan 8.270 nan 0.000 0.413 514 H N -0.104 118.959 119.070 -0.013 0.000 2.529 514 H HA 0.515 5.071 4.556 0.001 0.000 0.348 514 H C -1.366 173.955 175.328 -0.012 0.000 1.079 514 H CA -0.261 55.784 56.048 -0.005 0.000 1.198 514 H CB 1.086 30.848 29.762 -0.000 0.000 1.521 514 H HN 0.002 nan 8.280 nan 0.000 0.514 515 K N 3.553 123.579 120.400 -0.623 0.000 2.527 515 K HA 0.494 4.815 4.320 0.001 0.000 0.260 515 K C -1.674 174.687 176.600 -0.399 0.000 0.937 515 K CA -0.953 55.106 56.287 -0.379 0.000 0.826 515 K CB 2.899 35.304 32.500 -0.157 0.000 1.359 515 K HN 0.298 nan 8.250 nan 0.000 0.434 516 V N 1.968 121.775 119.914 -0.177 0.000 2.487 516 V HA 0.335 4.456 4.120 0.001 0.000 0.298 516 V C -0.038 176.089 176.094 0.055 0.000 1.028 516 V CA -0.796 61.464 62.300 -0.067 0.000 0.860 516 V CB 1.700 33.493 31.823 -0.051 0.000 0.991 516 V HN 0.970 nan 8.190 nan 0.000 0.427 517 T N 1.059 115.630 114.554 0.028 0.000 2.899 517 T HA 0.154 4.504 4.350 0.001 0.000 0.295 517 T C 1.486 176.242 174.700 0.093 0.000 1.033 517 T CA 0.424 62.543 62.100 0.031 0.000 1.084 517 T CB 1.449 70.319 68.868 0.003 0.000 0.979 517 T HN 0.638 nan 8.240 nan 0.000 0.532 518 S N 1.069 116.830 115.700 0.102 0.000 2.392 518 S HA -0.202 4.269 4.470 0.001 0.000 0.232 518 S C 1.491 176.132 174.600 0.068 0.000 1.041 518 S CA 1.899 60.196 58.200 0.162 0.000 1.026 518 S CB -0.902 62.373 63.200 0.125 0.000 0.845 518 S HN 0.785 nan 8.310 nan 0.000 0.465 519 D N 0.718 121.141 120.400 0.038 0.000 2.178 519 D HA -0.083 4.557 4.640 0.001 0.000 0.201 519 D C 1.685 178.000 176.300 0.024 0.000 0.980 519 D CA 1.127 55.139 54.000 0.020 0.000 0.842 519 D CB -0.329 40.479 40.800 0.014 0.000 0.948 519 D HN 0.641 nan 8.370 nan 0.000 0.472 520 E N 0.045 120.269 120.200 0.041 0.000 2.502 520 E HA 0.057 4.407 4.350 0.001 0.000 0.194 520 E C 2.090 178.740 176.600 0.085 0.000 1.062 520 E CA -0.260 56.181 56.400 0.068 0.000 0.867 520 E CB 0.159 29.908 29.700 0.082 0.000 0.888 520 E HN 0.218 nan 8.360 nan 0.000 0.510 521 L N 0.198 121.423 121.223 0.004 0.000 1.971 521 L HA -0.225 4.115 4.340 0.001 0.000 0.215 521 L C 2.489 179.367 176.870 0.012 0.000 1.072 521 L CA 1.648 56.440 54.840 -0.080 0.000 0.758 521 L CB -0.816 41.066 42.059 -0.295 0.000 0.889 521 L HN 0.305 nan 8.230 nan 0.000 0.433 522 G N -0.667 108.118 108.800 -0.025 0.000 2.459 522 G HA2 -0.291 3.670 3.960 0.001 0.000 0.217 522 G HA3 -0.291 3.670 3.960 0.001 0.000 0.217 522 G C 1.171 176.070 174.900 -0.003 0.000 1.183 522 G CA 1.008 46.082 45.100 -0.042 0.000 0.776 522 G HN 0.315 nan 8.290 nan 0.000 0.552 523 D N -0.415 120.008 120.400 0.038 0.000 2.126 523 D HA -0.187 4.454 4.640 0.001 0.000 0.190 523 D C 1.982 178.346 176.300 0.107 0.000 1.001 523 D CA 1.406 55.445 54.000 0.065 0.000 0.841 523 D CB -0.382 40.469 40.800 0.086 0.000 0.949 523 D HN 0.412 nan 8.370 nan 0.000 0.446 524 Y N 1.263 121.606 120.300 0.070 0.000 2.163 524 Y HA -0.169 4.381 4.550 0.000 0.000 0.288 524 Y C 2.219 178.201 175.900 0.138 0.000 1.136 524 Y CA 1.072 59.256 58.100 0.141 0.000 1.147 524 Y CB -0.170 38.423 38.460 0.222 0.000 0.987 524 Y HN -0.131 nan 8.280 nan 0.000 0.509 525 I N 0.840 121.463 120.570 0.089 0.000 2.099 525 I HA -0.333 3.837 4.170 0.001 0.000 0.239 525 I C 2.445 178.475 176.117 -0.146 0.000 1.066 525 I CA 2.012 63.289 61.300 -0.038 0.000 1.324 525 I CB -1.615 36.346 38.000 -0.066 0.000 1.037 525 I HN 0.382 nan 8.210 nan 0.000 0.401 526 D N 1.260 121.578 120.400 -0.136 0.000 2.116 526 D HA -0.279 4.361 4.640 0.001 0.000 0.193 526 D C 2.325 178.591 176.300 -0.056 0.000 0.998 526 D CA 1.868 55.802 54.000 -0.111 0.000 0.836 526 D CB 0.010 40.756 40.800 -0.091 0.000 0.951 526 D HN 0.324 nan 8.370 nan 0.000 0.449 527 R N 0.326 120.790 120.500 -0.061 0.000 2.082 527 R HA -0.135 4.205 4.340 0.001 0.000 0.234 527 R C 2.516 178.799 176.300 -0.028 0.000 1.136 527 R CA 1.754 57.834 56.100 -0.033 0.000 0.935 527 R CB -0.730 29.561 30.300 -0.015 0.000 0.842 527 R HN 0.137 nan 8.270 nan 0.000 0.430 528 V N 0.429 120.263 119.914 -0.134 0.000 2.626 528 V HA -0.122 3.998 4.120 0.001 0.000 0.252 528 V C 2.080 178.293 176.094 0.199 0.000 1.067 528 V CA 1.453 63.749 62.300 -0.006 0.000 1.081 528 V CB 0.223 31.916 31.823 -0.217 0.000 0.686 528 V HN 0.312 nan 8.190 nan 0.000 0.468 529 V N -0.015 119.976 119.914 0.128 0.000 2.323 529 V HA -0.162 3.959 4.120 0.001 0.000 0.244 529 V C 2.583 178.788 176.094 0.185 0.000 1.041 529 V CA 2.229 64.668 62.300 0.233 0.000 1.025 529 V CB -0.671 31.254 31.823 0.170 0.000 0.656 529 V HN 0.470 nan 8.190 nan 0.000 0.451 530 R N 0.014 120.567 120.500 0.088 0.000 2.120 530 R HA -0.152 4.188 4.340 0.001 0.000 0.234 530 R C 2.179 178.490 176.300 0.019 0.000 1.123 530 R CA 1.568 57.694 56.100 0.044 0.000 0.975 530 R CB -0.331 29.987 30.300 0.030 0.000 0.866 530 R HN 0.506 nan 8.270 nan 0.000 0.446 531 N N 0.472 119.199 118.700 0.046 0.000 2.058 531 N HA -0.189 4.551 4.740 0.001 0.000 0.191 531 N C 1.381 176.740 175.510 -0.252 0.000 1.037 531 N CA 1.144 54.213 53.050 0.031 0.000 0.848 531 N CB -0.467 38.108 38.487 0.147 0.000 1.021 531 N HN 0.094 nan 8.380 nan 0.000 0.422 532 F N 1.533 121.119 119.950 -0.607 0.000 2.115 532 F HA -0.213 4.314 4.527 0.000 0.000 0.300 532 F C 1.891 177.327 175.800 -0.605 0.000 1.092 532 F CA 1.188 58.540 58.000 -1.079 0.000 1.245 532 F CB -0.538 38.249 39.000 -0.354 0.000 0.995 532 F HN -0.138 nan 8.300 nan 0.000 0.481 533 V N 0.353 119.961 119.914 -0.510 0.000 2.453 533 V HA -0.226 3.894 4.120 0.001 0.000 0.247 533 V C 2.435 178.298 176.094 -0.385 0.000 1.048 533 V CA 2.039 64.031 62.300 -0.514 0.000 1.049 533 V CB -0.860 30.823 31.823 -0.234 0.000 0.672 533 V HN 0.308 nan 8.190 nan 0.000 0.457 534 K N 0.237 120.479 120.400 -0.265 0.000 1.965 534 K HA -0.133 4.187 4.320 0.001 0.000 0.214 534 K C 1.142 177.581 176.600 -0.267 0.000 1.042 534 K CA 1.439 57.602 56.287 -0.207 0.000 0.950 534 K CB -0.177 32.275 32.500 -0.080 0.000 0.733 534 K HN 0.493 nan 8.250 nan 0.000 0.441 535 H N 0.361 119.274 119.070 -0.262 0.000 2.983 535 H HA 0.143 4.699 4.556 0.001 0.000 0.222 535 H C -0.472 174.702 175.328 -0.257 0.000 1.828 535 H CA -0.001 55.951 56.048 -0.160 0.000 1.309 535 H CB -0.208 29.573 29.762 0.033 0.000 1.644 535 H HN 0.067 nan 8.280 nan 0.000 0.561 536 R N 0.767 121.129 120.500 -0.230 0.000 2.725 536 R HA 0.434 4.775 4.340 0.001 0.000 0.277 536 R C -1.083 175.119 176.300 -0.164 0.000 0.987 536 R CA -0.713 55.211 56.100 -0.293 0.000 0.901 536 R CB 1.583 31.507 30.300 -0.627 0.000 1.207 536 R HN 0.379 nan 8.270 nan 0.000 0.463 537 S N 1.528 117.177 115.700 -0.084 0.000 2.593 537 S HA 0.346 4.816 4.470 0.001 0.000 0.297 537 S C -0.727 173.841 174.600 -0.052 0.000 1.112 537 S CA -0.969 57.203 58.200 -0.046 0.000 1.043 537 S CB 1.650 64.855 63.200 0.008 0.000 1.054 537 S HN 0.576 nan 8.310 nan 0.000 0.516 538 E N 1.305 121.478 120.200 -0.044 0.000 2.608 538 E HA 0.362 4.713 4.350 0.001 0.000 0.259 538 E C 1.234 177.826 176.600 -0.013 0.000 0.951 538 E CA 1.192 57.568 56.400 -0.040 0.000 0.945 538 E CB -0.475 29.207 29.700 -0.029 0.000 0.916 538 E HN 1.098 nan 8.360 nan 0.000 0.477 539 G N 2.626 111.418 108.800 -0.013 0.000 2.441 539 G HA2 -0.375 3.586 3.960 0.001 0.000 0.298 539 G HA3 -0.375 3.586 3.960 0.001 0.000 0.298 539 G C -0.091 174.843 174.900 0.055 0.000 0.949 539 G CA 0.915 46.028 45.100 0.021 0.000 1.072 539 G HN 0.580 nan 8.290 nan 0.000 0.512 540 E N -0.184 120.060 120.200 0.073 0.000 2.179 540 E HA 0.518 4.868 4.350 0.001 0.000 0.275 540 E C 0.483 177.235 176.600 0.254 0.000 0.945 540 E CA -1.154 55.326 56.400 0.133 0.000 0.792 540 E CB 0.969 30.744 29.700 0.126 0.000 1.125 540 E HN 0.361 nan 8.360 nan 0.000 0.397 541 R N 3.232 123.865 120.500 0.221 0.000 2.441 541 R HA 0.131 4.471 4.340 0.001 0.000 0.284 541 R C 0.879 177.323 176.300 0.240 0.000 1.070 541 R CA -0.294 55.945 56.100 0.231 0.000 1.047 541 R CB 0.510 30.870 30.300 0.100 0.000 1.016 541 R HN 0.657 nan 8.270 nan 0.000 0.477 542 F N 2.693 122.557 119.950 -0.142 0.000 2.063 542 F HA -0.367 4.160 4.527 0.000 0.000 0.298 542 F C 2.110 177.837 175.800 -0.122 0.000 1.105 542 F CA 2.458 60.151 58.000 -0.511 0.000 1.215 542 F CB -0.198 38.359 39.000 -0.737 0.000 0.972 542 F HN 0.701 nan 8.300 nan 0.000 0.483 543 A N -0.765 122.071 122.820 0.027 0.000 2.024 543 A HA -0.258 4.063 4.320 0.001 0.000 0.220 543 A C 2.065 179.588 177.584 -0.102 0.000 1.164 543 A CA 1.968 53.966 52.037 -0.066 0.000 0.643 543 A CB -0.739 18.157 19.000 -0.173 0.000 0.806 543 A HN 0.669 nan 8.150 nan 0.000 0.451 544 Q N -2.342 117.435 119.800 -0.037 0.000 2.062 544 Q HA -0.140 4.200 4.340 0.001 0.000 0.196 544 Q C 1.878 177.894 176.000 0.026 0.000 0.967 544 Q CA 1.341 57.147 55.803 0.004 0.000 0.832 544 Q CB -0.271 28.502 28.738 0.058 0.000 0.899 544 Q HN 0.882 nan 8.270 nan 0.000 0.442 545 W N 1.027 122.280 121.300 -0.078 0.000 2.335 545 W HA -0.239 4.421 4.660 0.000 0.000 0.311 545 W C 1.722 178.136 176.519 -0.176 0.000 1.213 545 W CA 1.594 58.902 57.345 -0.060 0.000 1.274 545 W CB -0.530 28.995 29.460 0.110 0.000 1.148 545 W HN -0.117 nan 8.180 nan 0.000 0.498 546 V N 2.621 122.134 119.914 -0.668 0.000 2.324 546 V HA -0.366 3.755 4.120 0.001 0.000 0.250 546 V C 2.358 178.119 176.094 -0.555 0.000 1.060 546 V CA 2.536 64.328 62.300 -0.848 0.000 1.042 546 V CB -1.475 29.979 31.823 -0.615 0.000 0.650 546 V HN 0.461 nan 8.190 nan 0.000 0.450 547 I N 1.038 121.408 120.570 -0.333 0.000 2.264 547 I HA -0.271 3.899 4.170 0.001 0.000 0.248 547 I C 2.516 178.503 176.117 -0.216 0.000 1.111 547 I CA 2.387 63.560 61.300 -0.212 0.000 1.382 547 I CB -0.654 37.278 38.000 -0.114 0.000 1.060 547 I HN 0.363 nan 8.210 nan 0.000 0.418 548 R N 2.425 122.776 120.500 -0.250 0.000 2.175 548 R HA 0.415 4.755 4.340 0.001 0.000 0.202 548 R C 1.357 177.488 176.300 -0.282 0.000 1.018 548 R CA 0.373 56.358 56.100 -0.191 0.000 1.029 548 R CB -0.698 29.549 30.300 -0.087 0.000 0.959 548 R HN 0.239 nan 8.270 nan 0.000 0.480 549 A N 2.709 125.187 122.820 -0.569 0.000 2.616 549 A HA -0.125 4.196 4.320 0.001 0.000 0.234 549 A C -0.134 177.229 177.584 -0.368 0.000 1.024 549 A CA 0.260 51.878 52.037 -0.699 0.000 0.758 549 A CB -0.091 17.975 19.000 -1.557 0.000 0.939 549 A HN 0.456 nan 8.150 nan 0.000 0.510 550 E N 1.504 121.581 120.200 -0.205 0.000 2.493 550 E HA -0.058 4.292 4.350 0.001 0.000 0.255 550 E C 0.747 177.249 176.600 -0.163 0.000 0.999 550 E CA -0.019 56.298 56.400 -0.138 0.000 0.934 550 E CB 0.368 30.020 29.700 -0.081 0.000 0.940 550 E HN 0.714 nan 8.360 nan 0.000 0.473 551 E N 2.900 123.016 120.200 -0.140 0.000 2.339 551 E HA -0.244 4.106 4.350 0.001 0.000 0.201 551 E C 0.760 177.308 176.600 -0.086 0.000 1.015 551 E CA 0.977 57.300 56.400 -0.127 0.000 0.841 551 E CB 0.207 29.851 29.700 -0.094 0.000 0.754 551 E HN 0.524 nan 8.360 nan 0.000 0.508 552 D N 0.519 120.883 120.400 -0.060 0.000 2.183 552 D HA -0.109 4.531 4.640 0.001 0.000 0.203 552 D C 0.775 177.071 176.300 -0.006 0.000 0.969 552 D CA 0.715 54.703 54.000 -0.020 0.000 0.842 552 D CB 0.035 40.829 40.800 -0.011 0.000 0.957 552 D HN 0.145 nan 8.370 nan 0.000 0.484 553 D N 0.117 120.499 120.400 -0.029 0.000 2.336 553 D HA 0.038 4.678 4.640 0.001 0.000 0.229 553 D C 1.548 177.914 176.300 0.110 0.000 1.061 553 D CA 0.183 54.218 54.000 0.058 0.000 0.875 553 D CB 0.286 41.151 40.800 0.109 0.000 0.904 553 D HN 0.304 nan 8.370 nan 0.000 0.525 554 L N -0.803 120.415 121.223 -0.007 0.000 2.781 554 L HA 0.233 4.573 4.340 0.001 0.000 0.245 554 L C 1.090 177.992 176.870 0.053 0.000 1.118 554 L CA -0.142 54.688 54.840 -0.018 0.000 0.918 554 L CB 0.580 42.545 42.059 -0.157 0.000 1.246 554 L HN -0.216 nan 8.230 nan 0.000 0.526 555 R N 0.000 120.541 120.500 0.068 0.000 2.786 555 R HA 0.000 4.340 4.340 0.001 0.000 0.208 555 R CA 0.000 56.223 56.100 0.206 0.000 0.921 555 R CB 0.000 30.399 30.300 0.165 0.000 0.687 555 R HN 0.000 nan 8.270 nan 0.000 0.535