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 1m51_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLSAKVVQGS LDSLPQAVRE FLENNAELCQ PDHIHICDGS EEENGRLLGQ DATA SEQUENCE MEEEGILRRL KKYDNCWLAL TDPRDVARIE SKTVIVTQEQ RDTVPIPKTG DATA SEQUENCE LSQLGRWMSE EDFEKAFNAR FPGCMKGRTM YVIPFSMGPL GSXXSKIGIE DATA SEQUENCE LTDSPYVVAS MRIMTRMGTP VLEALGDGEF VKCLHSVGCP LPLQKPLVNN DATA SEQUENCE WPCNPELTLI AHLPDRREII SFGSGYGGNS LLGKKCFALR MASRLAKEEG DATA SEQUENCE WLAEHMLVLG ITNPEGEKKY LAAAFPSACG KTNLAMMNPS LPGWKVECVG DATA SEQUENCE DDIAWMKFDA QGHLRAINPE NGFFGVAPGT SVKTNPNAIK TIQKNTIFTN DATA SEQUENCE VAETSDGGVY WEGIDEPLAS GVTITSWKNK EWSSEDGEPC AHPNSRFCTP DATA SEQUENCE ASQCPIIDAA WESPEGVPIE GIIFGGRRPA GVPLVYEALS WQHGVFVGAA DATA SEQUENCE MRSEAXXXXX XXXKIIMHDP FAMRPFFGYN FGKYLAHWLS MAQHPAAKLP DATA SEQUENCE KIFHVNWFRK DKEGKFLWPG FGENSRVLEW MFNRIDGKAS TKLTPIGYIP DATA SEQUENCE KEDALNLKGL GHINMMELFS ISKEFWDKEV EDIEKYLVDQ VNADLPCEIE DATA SEQUENCE REILALKQRI SQM 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 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.502 175.510 -0.013 0.000 1.280 10 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 10 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 11 L N 2.683 123.898 121.223 -0.013 0.000 2.046 11 L HA 0.073 4.412 4.340 -0.002 0.000 0.208 11 L C 2.200 179.062 176.870 -0.012 0.000 1.077 11 L CA 2.108 56.939 54.840 -0.016 0.000 0.747 11 L CB -0.944 41.107 42.059 -0.014 0.000 0.896 11 L HN 0.462 nan 8.230 nan 0.000 0.432 12 S N -0.062 115.634 115.700 -0.007 0.000 2.400 12 S HA -0.297 4.171 4.470 -0.002 0.000 0.234 12 S C 2.027 176.626 174.600 -0.000 0.000 1.049 12 S CA 1.272 59.469 58.200 -0.005 0.000 1.039 12 S CB -0.815 62.383 63.200 -0.004 0.000 0.856 12 S HN 0.643 nan 8.310 nan 0.000 0.465 13 A N 0.970 123.790 122.820 -0.000 0.000 2.121 13 A HA -0.001 4.318 4.320 -0.002 0.000 0.218 13 A C 1.982 179.580 177.584 0.022 0.000 1.154 13 A CA 1.022 53.063 52.037 0.007 0.000 0.679 13 A CB -0.241 18.760 19.000 0.001 0.000 0.795 13 A HN 0.470 nan 8.150 nan 0.000 0.458 14 K N -0.539 119.867 120.400 0.011 0.000 2.379 14 K HA 0.166 4.484 4.320 -0.002 0.000 0.194 14 K C -0.259 176.389 176.600 0.079 0.000 1.031 14 K CA -0.065 56.237 56.287 0.025 0.000 1.037 14 K CB 0.413 32.883 32.500 -0.050 0.000 0.824 14 K HN 0.246 nan 8.250 nan 0.000 0.516 15 V N 2.885 122.820 119.914 0.034 0.000 2.446 15 V HA -0.046 4.072 4.120 -0.002 0.000 0.276 15 V C 1.195 177.292 176.094 0.006 0.000 1.030 15 V CA 0.147 62.453 62.300 0.010 0.000 1.033 15 V CB 0.942 32.756 31.823 -0.014 0.000 0.993 15 V HN 0.112 nan 8.190 nan 0.000 0.477 16 V N 1.733 121.639 119.914 -0.014 0.000 3.660 16 V HA 0.347 4.466 4.120 -0.002 0.000 0.276 16 V C 0.378 176.411 176.094 -0.102 0.000 1.317 16 V CA 0.417 62.688 62.300 -0.048 0.000 1.097 16 V CB -0.122 31.655 31.823 -0.075 0.000 0.863 16 V HN 0.839 nan 8.190 nan 0.000 0.438 17 Q N -0.050 119.644 119.800 -0.176 0.000 2.295 17 Q HA 0.546 4.884 4.340 -0.002 0.000 0.268 17 Q C -0.168 175.710 176.000 -0.204 0.000 1.010 17 Q CA 0.307 55.954 55.803 -0.259 0.000 0.856 17 Q CB 1.864 30.261 28.738 -0.568 0.000 1.349 17 Q HN 0.947 nan 8.270 nan 0.000 0.412 18 G N 1.637 110.358 108.800 -0.131 0.000 2.660 18 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.215 18 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.215 18 G C -1.039 173.827 174.900 -0.057 0.000 1.345 18 G CA -0.214 44.834 45.100 -0.086 0.000 0.877 18 G HN 0.892 nan 8.290 nan 0.000 0.549 19 S N -1.302 114.374 115.700 -0.040 0.000 2.575 19 S HA 0.586 5.055 4.470 -0.002 0.000 0.278 19 S C 1.422 176.010 174.600 -0.020 0.000 1.139 19 S CA 0.084 58.268 58.200 -0.027 0.000 0.954 19 S CB 1.303 64.490 63.200 -0.021 0.000 1.054 19 S HN 1.036 nan 8.310 nan 0.000 0.483 20 L N 2.741 123.955 121.223 -0.015 0.000 2.081 20 L HA -0.137 4.202 4.340 -0.002 0.000 0.212 20 L C 1.709 178.576 176.870 -0.004 0.000 1.080 20 L CA 1.414 56.249 54.840 -0.008 0.000 0.754 20 L CB -0.391 41.665 42.059 -0.004 0.000 0.893 20 L HN 0.698 nan 8.230 nan 0.000 0.433 21 D N -0.470 119.927 120.400 -0.005 0.000 2.264 21 D HA -0.116 4.522 4.640 -0.002 0.000 0.208 21 D C 2.064 178.362 176.300 -0.003 0.000 0.966 21 D CA 1.629 55.628 54.000 -0.002 0.000 0.864 21 D CB 0.076 40.874 40.800 -0.003 0.000 0.933 21 D HN 0.403 nan 8.370 nan 0.000 0.499 22 S N -0.294 115.401 115.700 -0.008 0.000 2.597 22 S HA 0.152 4.620 4.470 -0.002 0.000 0.224 22 S C 0.656 175.248 174.600 -0.013 0.000 0.955 22 S CA -0.467 57.727 58.200 -0.010 0.000 0.933 22 S CB -0.187 63.005 63.200 -0.014 0.000 0.788 22 S HN 0.035 nan 8.310 nan 0.000 0.488 23 L N 2.062 123.278 121.223 -0.011 0.000 2.307 23 L HA 0.523 4.861 4.340 -0.002 0.000 0.282 23 L C -2.475 174.395 176.870 -0.001 0.000 1.051 23 L CA -2.581 52.250 54.840 -0.014 0.000 0.804 23 L CB 0.684 42.736 42.059 -0.012 0.000 1.197 23 L HN -0.036 nan 8.230 nan 0.000 0.431 24 P HA -0.053 nan 4.420 nan 0.000 0.266 24 P C 0.160 177.490 177.300 0.050 0.000 1.193 24 P CA -0.089 63.024 63.100 0.022 0.000 0.770 24 P CB 0.603 32.316 31.700 0.023 0.000 0.836 25 Q N 3.474 123.308 119.800 0.057 0.000 2.112 25 Q HA -0.239 4.100 4.340 -0.002 0.000 0.206 25 Q C 1.996 178.064 176.000 0.113 0.000 0.987 25 Q CA 2.649 58.493 55.803 0.068 0.000 0.858 25 Q CB -1.192 27.578 28.738 0.053 0.000 0.905 25 Q HN 0.559 nan 8.270 nan 0.000 0.420 26 A N -1.023 121.891 122.820 0.157 0.000 1.930 26 A HA -0.101 4.217 4.320 -0.002 0.000 0.217 26 A C 2.268 180.106 177.584 0.423 0.000 1.175 26 A CA 1.510 53.701 52.037 0.257 0.000 0.627 26 A CB -0.611 18.541 19.000 0.254 0.000 0.815 26 A HN 0.257 nan 8.150 nan 0.000 0.443 27 V N 0.072 120.148 119.914 0.271 0.000 2.307 27 V HA -0.238 3.880 4.120 -0.002 0.000 0.245 27 V C 2.618 178.807 176.094 0.157 0.000 1.045 27 V CA 2.166 64.512 62.300 0.076 0.000 1.024 27 V CB -0.822 30.887 31.823 -0.190 0.000 0.651 27 V HN 0.676 nan 8.190 nan 0.000 0.449 28 R N 0.162 120.725 120.500 0.105 0.000 2.091 28 R HA -0.234 4.104 4.340 -0.002 0.000 0.238 28 R C 2.272 178.636 176.300 0.107 0.000 1.136 28 R CA 2.213 58.360 56.100 0.080 0.000 0.959 28 R CB -0.198 30.134 30.300 0.052 0.000 0.856 28 R HN 0.619 nan 8.270 nan 0.000 0.437 29 E N -0.557 119.734 120.200 0.151 0.000 2.072 29 E HA -0.189 4.160 4.350 -0.002 0.000 0.191 29 E C 1.674 178.393 176.600 0.198 0.000 0.985 29 E CA 1.226 57.713 56.400 0.145 0.000 0.801 29 E CB -0.212 29.570 29.700 0.137 0.000 0.750 29 E HN 0.287 nan 8.360 nan 0.000 0.452 30 F N 1.477 121.506 119.950 0.132 0.000 2.102 30 F HA -0.194 4.331 4.527 -0.002 0.000 0.298 30 F C 2.001 177.866 175.800 0.108 0.000 1.105 30 F CA 1.068 59.159 58.000 0.151 0.000 1.239 30 F CB -0.374 38.807 39.000 0.301 0.000 0.991 30 F HN 0.033 nan 8.300 nan 0.000 0.474 31 L N 0.766 121.962 121.223 -0.045 0.000 2.046 31 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 31 L C 2.140 178.950 176.870 -0.100 0.000 1.077 31 L CA 1.968 56.714 54.840 -0.156 0.000 0.747 31 L CB -1.155 40.874 42.059 -0.050 0.000 0.896 31 L HN 0.252 nan 8.230 nan 0.000 0.432 32 E N -0.373 119.813 120.200 -0.024 0.000 2.031 32 E HA -0.215 4.133 4.350 -0.002 0.000 0.193 32 E C 1.916 178.508 176.600 -0.014 0.000 0.994 32 E CA 1.377 57.772 56.400 -0.010 0.000 0.800 32 E CB -0.167 29.543 29.700 0.017 0.000 0.752 32 E HN 0.545 nan 8.360 nan 0.000 0.447 33 N N 0.898 119.599 118.700 0.001 0.000 2.104 33 N HA -0.132 4.607 4.740 -0.002 0.000 0.190 33 N C 1.372 176.877 175.510 -0.008 0.000 1.024 33 N CA 0.959 54.018 53.050 0.015 0.000 0.853 33 N CB -0.335 38.186 38.487 0.056 0.000 1.008 33 N HN 0.182 nan 8.380 nan 0.000 0.424 34 N N 0.468 119.116 118.700 -0.085 0.000 2.376 34 N HA 0.074 4.813 4.740 -0.002 0.000 0.177 34 N C 1.554 177.034 175.510 -0.049 0.000 1.024 34 N CA 0.604 53.603 53.050 -0.086 0.000 0.893 34 N CB 0.033 38.376 38.487 -0.240 0.000 0.980 34 N HN 0.195 nan 8.380 nan 0.000 0.439 35 A N 1.914 124.696 122.820 -0.064 0.000 1.873 35 A HA -0.133 4.185 4.320 -0.002 0.000 0.215 35 A C 2.030 179.602 177.584 -0.021 0.000 1.186 35 A CA 1.169 53.181 52.037 -0.041 0.000 0.616 35 A CB -0.467 18.505 19.000 -0.047 0.000 0.823 35 A HN 0.259 nan 8.150 nan 0.000 0.442 36 E N -0.742 119.450 120.200 -0.013 0.000 2.097 36 E HA -0.235 4.113 4.350 -0.002 0.000 0.196 36 E C 1.970 178.576 176.600 0.010 0.000 1.000 36 E CA 1.468 57.867 56.400 -0.001 0.000 0.804 36 E CB -0.304 29.400 29.700 0.006 0.000 0.740 36 E HN 0.554 nan 8.360 nan 0.000 0.454 37 L N 0.253 121.491 121.223 0.025 0.000 2.044 37 L HA -0.076 4.262 4.340 -0.002 0.000 0.205 37 L C 2.162 179.055 176.870 0.038 0.000 1.075 37 L CA 1.643 56.511 54.840 0.046 0.000 0.747 37 L CB -0.248 41.865 42.059 0.091 0.000 0.903 37 L HN 0.099 nan 8.230 nan 0.000 0.435 38 C N -0.375 118.951 119.300 0.043 0.000 2.495 38 C HA 0.155 4.613 4.460 -0.002 0.000 0.275 38 C C 0.817 175.813 174.990 0.009 0.000 1.392 38 C CA -0.404 58.644 59.018 0.050 0.000 1.766 38 C CB -0.687 27.102 27.740 0.082 0.000 1.933 38 C HN 0.685 nan 8.230 nan 0.000 0.519 39 Q N -0.605 119.190 119.800 -0.008 0.000 2.463 39 Q HA -0.146 4.192 4.340 -0.002 0.000 0.299 39 Q C -2.392 173.581 176.000 -0.045 0.000 1.353 39 Q CA 0.690 56.476 55.803 -0.028 0.000 0.828 39 Q CB -1.670 27.052 28.738 -0.027 0.000 1.157 39 Q HN 0.459 nan 8.270 nan 0.000 0.436 40 P HA 0.072 nan 4.420 nan 0.000 0.272 40 P C 0.483 177.711 177.300 -0.120 0.000 1.223 40 P CA -0.155 62.905 63.100 -0.067 0.000 0.784 40 P CB 0.707 32.371 31.700 -0.059 0.000 0.923 41 D N -0.124 120.182 120.400 -0.156 0.000 2.144 41 D HA -0.062 4.576 4.640 -0.002 0.000 0.200 41 D C 0.269 176.187 176.300 -0.638 0.000 0.978 41 D CA 1.769 55.558 54.000 -0.352 0.000 0.833 41 D CB -0.196 40.432 40.800 -0.287 0.000 0.961 41 D HN 0.580 nan 8.370 nan 0.000 0.470 42 H N -1.800 117.227 119.070 -0.072 0.000 2.946 42 H HA 0.468 5.022 4.556 -0.003 0.000 0.365 42 H C -0.683 174.576 175.328 -0.115 0.000 1.197 42 H CA -0.896 55.103 56.048 -0.082 0.000 1.131 42 H CB 1.860 31.575 29.762 -0.078 0.000 1.849 42 H HN -0.252 nan 8.280 nan 0.000 0.555 43 I N 1.523 122.116 120.570 0.038 0.000 2.389 43 I HA 0.163 4.331 4.170 -0.002 0.000 0.288 43 I C -0.460 175.650 176.117 -0.010 0.000 0.999 43 I CA -0.282 61.004 61.300 -0.024 0.000 1.129 43 I CB 0.912 38.899 38.000 -0.022 0.000 1.288 43 I HN 0.717 nan 8.210 nan 0.000 0.444 44 H N 6.405 125.372 119.070 -0.171 0.000 2.587 44 H HA 0.592 5.146 4.556 -0.003 0.000 0.325 44 H C -0.920 174.409 175.328 0.001 0.000 1.012 44 H CA -0.503 55.485 56.048 -0.101 0.000 1.213 44 H CB 1.183 30.838 29.762 -0.180 0.000 1.431 44 H HN 0.510 nan 8.280 nan 0.000 0.492 45 I N 6.114 126.649 120.570 -0.058 0.000 2.301 45 I HA 0.090 4.259 4.170 -0.002 0.000 0.292 45 I C 0.049 176.202 176.117 0.059 0.000 1.046 45 I CA -0.487 60.830 61.300 0.028 0.000 1.282 45 I CB 0.448 38.430 38.000 -0.030 0.000 1.409 45 I HN 0.639 nan 8.210 nan 0.000 0.484 46 C N 5.206 124.649 119.300 0.239 0.000 2.637 46 C HA 0.045 4.503 4.460 -0.002 0.000 0.418 46 C C 1.520 176.578 174.990 0.113 0.000 1.319 46 C CA -0.405 58.767 59.018 0.257 0.000 1.949 46 C CB -0.183 27.693 27.740 0.226 0.000 2.639 46 C HN 0.818 nan 8.230 nan 0.000 0.594 47 D N 0.158 120.617 120.400 0.098 0.000 2.392 47 D HA 0.152 4.791 4.640 -0.002 0.000 0.206 47 D C 1.457 177.785 176.300 0.046 0.000 1.046 47 D CA 0.751 54.779 54.000 0.047 0.000 0.865 47 D CB -0.247 40.566 40.800 0.022 0.000 0.969 47 D HN 0.932 nan 8.370 nan 0.000 0.509 48 G N 0.568 109.403 108.800 0.059 0.000 2.148 48 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.254 48 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.254 48 G C 0.371 175.288 174.900 0.029 0.000 0.981 48 G CA 0.580 45.702 45.100 0.037 0.000 0.670 48 G HN 0.878 nan 8.290 nan 0.000 0.528 49 S N -0.571 115.150 115.700 0.035 0.000 2.592 49 S HA 0.504 4.973 4.470 -0.002 0.000 0.271 49 S C 1.156 175.772 174.600 0.027 0.000 1.326 49 S CA 0.453 58.670 58.200 0.030 0.000 1.024 49 S CB 1.675 64.893 63.200 0.030 0.000 0.921 49 S HN 0.369 nan 8.310 nan 0.000 0.527 50 E N 1.264 121.481 120.200 0.028 0.000 2.097 50 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 50 E C 1.764 178.382 176.600 0.030 0.000 1.000 50 E CA 1.874 58.292 56.400 0.030 0.000 0.804 50 E CB -0.183 29.539 29.700 0.037 0.000 0.740 50 E HN 0.790 nan 8.360 nan 0.000 0.454 51 E N 0.790 121.010 120.200 0.033 0.000 2.051 51 E HA -0.219 4.129 4.350 -0.002 0.000 0.192 51 E C 1.939 178.561 176.600 0.036 0.000 0.991 51 E CA 1.274 57.695 56.400 0.035 0.000 0.799 51 E CB -0.121 29.599 29.700 0.034 0.000 0.748 51 E HN 0.298 nan 8.360 nan 0.000 0.449 52 E N 0.518 120.745 120.200 0.045 0.000 2.085 52 E HA -0.288 4.061 4.350 -0.002 0.000 0.194 52 E C 1.911 178.518 176.600 0.011 0.000 0.994 52 E CA 1.424 57.863 56.400 0.065 0.000 0.801 52 E CB -0.094 29.671 29.700 0.107 0.000 0.743 52 E HN 0.117 nan 8.360 nan 0.000 0.453 53 N N -0.171 118.522 118.700 -0.011 0.000 2.084 53 N HA -0.115 4.623 4.740 -0.002 0.000 0.190 53 N C 1.837 177.298 175.510 -0.081 0.000 1.030 53 N CA 1.894 54.908 53.050 -0.061 0.000 0.849 53 N CB -0.681 37.779 38.487 -0.044 0.000 1.012 53 N HN 0.253 nan 8.380 nan 0.000 0.423 54 G N 0.486 109.271 108.800 -0.025 0.000 2.476 54 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.218 54 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.218 54 G C 1.628 176.507 174.900 -0.035 0.000 1.164 54 G CA 0.738 45.833 45.100 -0.008 0.000 0.768 54 G HN 0.317 nan 8.290 nan 0.000 0.560 55 R N -0.274 120.217 120.500 -0.016 0.000 2.083 55 R HA 0.039 4.378 4.340 -0.002 0.000 0.237 55 R C 2.680 178.946 176.300 -0.056 0.000 1.137 55 R CA 1.131 57.226 56.100 -0.010 0.000 0.951 55 R CB -0.526 29.792 30.300 0.031 0.000 0.851 55 R HN 0.348 nan 8.270 nan 0.000 0.434 56 L N 0.599 121.761 121.223 -0.101 0.000 2.141 56 L HA -0.139 4.199 4.340 -0.002 0.000 0.209 56 L C 2.363 179.096 176.870 -0.229 0.000 1.094 56 L CA 0.864 55.606 54.840 -0.164 0.000 0.763 56 L CB -0.323 41.596 42.059 -0.234 0.000 0.908 56 L HN 0.193 nan 8.230 nan 0.000 0.437 57 L N -0.590 120.440 121.223 -0.322 0.000 2.027 57 L HA -0.115 4.224 4.340 -0.002 0.000 0.206 57 L C 2.715 179.306 176.870 -0.466 0.000 1.074 57 L CA 1.418 55.892 54.840 -0.610 0.000 0.745 57 L CB -1.225 40.267 42.059 -0.945 0.000 0.898 57 L HN 0.293 nan 8.230 nan 0.000 0.433 58 G N -0.736 107.934 108.800 -0.217 0.000 2.459 58 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.217 58 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.217 58 G C 1.490 176.378 174.900 -0.019 0.000 1.183 58 G CA 0.612 45.688 45.100 -0.039 0.000 0.776 58 G HN 0.378 nan 8.290 nan 0.000 0.552 59 Q N -0.610 119.166 119.800 -0.039 0.000 2.061 59 Q HA -0.023 4.316 4.340 -0.002 0.000 0.204 59 Q C 2.697 178.691 176.000 -0.009 0.000 0.984 59 Q CA 1.415 57.211 55.803 -0.013 0.000 0.846 59 Q CB -0.221 28.510 28.738 -0.012 0.000 0.902 59 Q HN 0.461 nan 8.270 nan 0.000 0.421 60 M N 0.024 119.593 119.600 -0.052 0.000 2.159 60 M HA -0.198 4.281 4.480 -0.002 0.000 0.263 60 M C 2.136 178.465 176.300 0.048 0.000 1.063 60 M CA 1.278 56.567 55.300 -0.017 0.000 1.110 60 M CB -0.173 32.392 32.600 -0.058 0.000 1.374 60 M HN 0.255 nan 8.290 nan 0.000 0.411 61 E N 0.467 120.701 120.200 0.057 0.000 2.051 61 E HA -0.215 4.133 4.350 -0.002 0.000 0.192 61 E C 1.725 178.402 176.600 0.128 0.000 0.991 61 E CA 1.138 57.640 56.400 0.170 0.000 0.799 61 E CB 0.140 30.014 29.700 0.289 0.000 0.748 61 E HN 0.388 nan 8.360 nan 0.000 0.449 62 E N 0.491 120.745 120.200 0.090 0.000 2.118 62 E HA -0.187 4.161 4.350 -0.002 0.000 0.195 62 E C 1.814 178.453 176.600 0.065 0.000 0.992 62 E CA 0.882 57.325 56.400 0.072 0.000 0.804 62 E CB -0.060 29.672 29.700 0.053 0.000 0.741 62 E HN 0.333 nan 8.360 nan 0.000 0.458 63 E N -0.707 119.530 120.200 0.062 0.000 2.474 63 E HA 0.038 4.387 4.350 -0.002 0.000 0.194 63 E C 1.019 177.662 176.600 0.072 0.000 1.041 63 E CA 0.521 56.955 56.400 0.057 0.000 0.874 63 E CB 0.692 30.418 29.700 0.043 0.000 0.914 63 E HN 0.385 nan 8.360 nan 0.000 0.498 64 G N 1.451 110.308 108.800 0.094 0.000 2.176 64 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.253 64 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.253 64 G C 1.112 176.096 174.900 0.141 0.000 0.979 64 G CA 0.507 45.673 45.100 0.111 0.000 0.641 64 G HN 0.343 nan 8.290 nan 0.000 0.530 65 I N -0.785 119.870 120.570 0.143 0.000 2.315 65 I HA 0.204 4.373 4.170 -0.002 0.000 0.248 65 I C 1.312 177.576 176.117 0.245 0.000 1.117 65 I CA 1.023 62.437 61.300 0.191 0.000 1.404 65 I CB -0.340 37.743 38.000 0.139 0.000 1.071 65 I HN 0.109 nan 8.210 nan 0.000 0.419 66 L N 0.753 122.117 121.223 0.235 0.000 2.354 66 L HA 0.513 4.852 4.340 -0.002 0.000 0.269 66 L C -0.589 176.494 176.870 0.356 0.000 1.005 66 L CA -0.739 54.296 54.840 0.326 0.000 0.819 66 L CB 2.088 44.353 42.059 0.343 0.000 1.311 66 L HN -0.002 nan 8.230 nan 0.000 0.423 67 R N 0.730 121.449 120.500 0.366 0.000 2.604 67 R HA 0.572 4.911 4.340 -0.002 0.000 0.287 67 R C -0.735 175.741 176.300 0.293 0.000 0.970 67 R CA -0.872 55.402 56.100 0.290 0.000 0.946 67 R CB 1.370 31.775 30.300 0.176 0.000 1.127 67 R HN 0.313 nan 8.270 nan 0.000 0.473 68 R N 1.665 122.197 120.500 0.053 0.000 2.390 68 R HA 0.236 4.574 4.340 -0.002 0.000 0.291 68 R C -0.902 175.260 176.300 -0.229 0.000 1.070 68 R CA -0.055 55.797 56.100 -0.412 0.000 1.014 68 R CB 0.427 30.406 30.300 -0.536 0.000 1.007 68 R HN 0.578 nan 8.270 nan 0.000 0.466 69 L N 6.961 128.033 121.223 -0.251 0.000 2.314 69 L HA 0.257 4.595 4.340 -0.002 0.000 0.275 69 L C 1.337 178.102 176.870 -0.176 0.000 1.068 69 L CA -0.271 54.510 54.840 -0.098 0.000 0.894 69 L CB 0.927 43.060 42.059 0.123 0.000 1.275 69 L HN 0.780 nan 8.230 nan 0.000 0.432 70 K N 1.829 122.100 120.400 -0.214 0.000 2.439 70 K HA -0.140 4.179 4.320 -0.002 0.000 0.197 70 K C 1.544 177.980 176.600 -0.273 0.000 1.041 70 K CA 0.874 57.033 56.287 -0.213 0.000 0.970 70 K CB 0.134 32.537 32.500 -0.163 0.000 0.773 70 K HN 0.404 nan 8.250 nan 0.000 0.479 71 K N 0.117 120.233 120.400 -0.473 0.000 2.362 71 K HA -0.057 4.261 4.320 -0.002 0.000 0.200 71 K C -0.372 175.819 176.600 -0.682 0.000 1.046 71 K CA 0.796 56.669 56.287 -0.691 0.000 0.952 71 K CB 0.090 31.964 32.500 -1.044 0.000 0.753 71 K HN 0.208 nan 8.250 nan 0.000 0.466 72 Y N -0.869 119.392 120.300 -0.065 0.000 2.659 72 Y HA 0.199 4.748 4.550 -0.002 0.000 0.333 72 Y C -0.420 175.458 175.900 -0.037 0.000 1.064 72 Y CA -1.702 56.378 58.100 -0.032 0.000 1.141 72 Y CB 0.682 39.147 38.460 0.008 0.000 1.316 72 Y HN -0.170 nan 8.280 nan 0.000 0.509 73 D N 1.602 122.113 120.400 0.185 0.000 2.352 73 D HA 0.054 4.693 4.640 -0.002 0.000 0.245 73 D C -0.106 176.267 176.300 0.121 0.000 1.224 73 D CA 0.254 54.319 54.000 0.108 0.000 0.879 73 D CB -0.240 40.618 40.800 0.096 0.000 1.057 73 D HN 0.619 nan 8.370 nan 0.000 0.491 74 N N 2.717 121.463 118.700 0.076 0.000 2.738 74 N HA -0.206 4.532 4.740 -0.002 0.000 0.249 74 N C -1.587 174.026 175.510 0.172 0.000 1.047 74 N CA 0.428 53.565 53.050 0.145 0.000 0.707 74 N CB -1.505 37.129 38.487 0.245 0.000 0.937 74 N HN 0.311 nan 8.380 nan 0.000 0.545 75 C N 0.318 119.617 119.300 -0.002 0.000 2.411 75 C HA 0.794 5.252 4.460 -0.002 0.000 0.330 75 C C 0.058 174.985 174.990 -0.104 0.000 1.224 75 C CA -0.571 58.548 59.018 0.168 0.000 1.770 75 C CB 0.299 28.264 27.740 0.374 0.000 2.297 75 C HN 0.518 nan 8.230 nan 0.000 0.507 76 W N 1.717 123.214 121.300 0.328 0.000 3.029 76 W HA 0.726 5.385 4.660 -0.003 0.000 0.339 76 W C -0.852 175.883 176.519 0.359 0.000 1.198 76 W CA -0.796 56.718 57.345 0.281 0.000 1.148 76 W CB 0.987 30.571 29.460 0.207 0.000 1.451 76 W HN 0.359 nan 8.180 nan 0.000 0.564 77 L N 2.278 123.823 121.223 0.538 0.000 2.439 77 L HA 0.881 5.220 4.340 -0.002 0.000 0.270 77 L C -0.881 176.215 176.870 0.377 0.000 0.972 77 L CA -0.785 54.312 54.840 0.428 0.000 0.836 77 L CB 1.147 43.385 42.059 0.298 0.000 1.255 77 L HN 0.511 nan 8.230 nan 0.000 0.404 78 A N 6.098 129.138 122.820 0.366 0.000 2.292 78 A HA 0.791 5.109 4.320 -0.002 0.000 0.319 78 A C -1.075 176.585 177.584 0.126 0.000 1.206 78 A CA -0.495 51.713 52.037 0.284 0.000 0.835 78 A CB 0.540 19.755 19.000 0.359 0.000 1.164 78 A HN 0.739 nan 8.150 nan 0.000 0.505 79 L N 2.554 123.827 121.223 0.084 0.000 2.322 79 L HA 0.551 4.890 4.340 -0.002 0.000 0.281 79 L C 0.762 177.511 176.870 -0.202 0.000 1.014 79 L CA -0.596 54.245 54.840 0.001 0.000 0.815 79 L CB 2.132 44.237 42.059 0.077 0.000 1.247 79 L HN 0.907 nan 8.230 nan 0.000 0.421 80 T N -2.491 111.799 114.554 -0.441 0.000 2.936 80 T HA 0.241 4.589 4.350 -0.002 0.000 0.282 80 T C -0.186 174.287 174.700 -0.378 0.000 1.003 80 T CA -0.881 60.628 62.100 -0.986 0.000 1.005 80 T CB 1.771 69.679 68.868 -1.599 0.000 1.097 80 T HN 0.471 nan 8.240 nan 0.000 0.532 81 D N 1.942 122.173 120.400 -0.283 0.000 2.450 81 D HA 0.092 4.730 4.640 -0.002 0.000 0.247 81 D C -1.087 175.193 176.300 -0.033 0.000 1.162 81 D CA -1.771 52.222 54.000 -0.011 0.000 0.879 81 D CB 1.339 42.251 40.800 0.187 0.000 1.163 81 D HN 0.289 nan 8.370 nan 0.000 0.472 82 P HA -0.114 nan 4.420 nan 0.000 0.223 82 P C 0.832 178.180 177.300 0.080 0.000 1.144 82 P CA 0.798 63.979 63.100 0.135 0.000 0.783 82 P CB 0.243 32.012 31.700 0.114 0.000 0.771 83 R N -0.560 119.976 120.500 0.061 0.000 2.299 83 R HA 0.034 4.372 4.340 -0.002 0.000 0.197 83 R C 0.324 176.658 176.300 0.056 0.000 0.971 83 R CA 0.427 56.565 56.100 0.063 0.000 1.030 83 R CB -0.114 30.230 30.300 0.074 0.000 0.932 83 R HN 0.082 nan 8.270 nan 0.000 0.477 84 D N 0.158 120.581 120.400 0.038 0.000 2.443 84 D HA 0.073 4.712 4.640 -0.002 0.000 0.281 84 D C 0.283 176.551 176.300 -0.053 0.000 1.210 84 D CA -0.291 53.759 54.000 0.083 0.000 0.875 84 D CB 1.126 42.102 40.800 0.293 0.000 1.125 84 D HN -0.039 nan 8.370 nan 0.000 0.503 85 V N -0.094 119.695 119.914 -0.208 0.000 3.382 85 V HA 0.843 4.962 4.120 -0.002 0.000 0.296 85 V C 0.419 176.036 176.094 -0.795 0.000 1.529 85 V CA 0.351 62.371 62.300 -0.467 0.000 1.048 85 V CB -0.027 31.362 31.823 -0.724 0.000 0.878 85 V HN 0.400 nan 8.190 nan 0.000 0.442 86 A N 1.336 123.669 122.820 -0.810 0.000 2.610 86 A HA 0.776 5.094 4.320 -0.002 0.000 0.291 86 A C -0.406 176.923 177.584 -0.426 0.000 1.086 86 A CA -0.916 50.553 52.037 -0.946 0.000 0.677 86 A CB 1.180 19.965 19.000 -0.358 0.000 1.278 86 A HN 0.548 nan 8.150 nan 0.000 0.414 87 R N 0.235 120.687 120.500 -0.080 0.000 2.490 87 R HA 0.578 4.916 4.340 -0.002 0.000 0.280 87 R C -1.310 175.043 176.300 0.088 0.000 1.077 87 R CA -0.139 56.075 56.100 0.190 0.000 1.065 87 R CB 0.160 30.660 30.300 0.334 0.000 1.003 87 R HN 0.410 nan 8.270 nan 0.000 0.470 88 I N 2.315 122.953 120.570 0.113 0.000 2.328 88 I HA 0.131 4.299 4.170 -0.002 0.000 0.287 88 I C 0.940 177.106 176.117 0.081 0.000 1.012 88 I CA -0.318 61.029 61.300 0.079 0.000 1.195 88 I CB 1.693 39.745 38.000 0.088 0.000 1.350 88 I HN 0.751 nan 8.210 nan 0.000 0.464 89 E N 2.538 122.762 120.200 0.040 0.000 2.085 89 E HA -0.180 4.168 4.350 -0.002 0.000 0.194 89 E C 1.865 178.494 176.600 0.047 0.000 0.994 89 E CA 1.619 58.030 56.400 0.018 0.000 0.801 89 E CB 0.135 29.815 29.700 -0.033 0.000 0.743 89 E HN 0.730 nan 8.360 nan 0.000 0.453 90 S N 0.749 116.480 115.700 0.050 0.000 2.392 90 S HA -0.201 4.267 4.470 -0.002 0.000 0.232 90 S C 1.361 176.011 174.600 0.085 0.000 1.041 90 S CA 1.398 59.635 58.200 0.062 0.000 1.026 90 S CB -0.153 63.081 63.200 0.058 0.000 0.845 90 S HN 0.218 nan 8.310 nan 0.000 0.465 91 K N 0.848 121.310 120.400 0.103 0.000 2.440 91 K HA 0.191 4.510 4.320 -0.002 0.000 0.206 91 K C -0.550 176.149 176.600 0.166 0.000 1.025 91 K CA 0.092 56.458 56.287 0.132 0.000 1.135 91 K CB 0.744 33.326 32.500 0.138 0.000 0.856 91 K HN 0.085 nan 8.250 nan 0.000 0.502 92 T N 1.879 116.527 114.554 0.156 0.000 2.791 92 T HA 0.346 4.695 4.350 -0.002 0.000 0.288 92 T C -0.477 174.334 174.700 0.184 0.000 0.999 92 T CA -0.676 61.546 62.100 0.203 0.000 0.952 92 T CB 1.428 70.407 68.868 0.185 0.000 0.938 92 T HN 0.028 nan 8.240 nan 0.000 0.444 93 V N 1.548 121.603 119.914 0.235 0.000 2.962 93 V HA 0.775 4.893 4.120 -0.002 0.000 0.313 93 V C -0.905 175.319 176.094 0.216 0.000 1.099 93 V CA -1.205 61.199 62.300 0.173 0.000 0.971 93 V CB 1.919 33.810 31.823 0.114 0.000 1.028 93 V HN 0.804 nan 8.190 nan 0.000 0.430 94 I N 2.318 122.968 120.570 0.134 0.000 2.474 94 I HA 0.599 4.768 4.170 -0.002 0.000 0.294 94 I C -0.849 175.303 176.117 0.058 0.000 1.005 94 I CA -1.036 60.338 61.300 0.124 0.000 1.113 94 I CB 2.291 40.362 38.000 0.119 0.000 1.289 94 I HN 0.470 nan 8.210 nan 0.000 0.436 95 V N 4.691 124.595 119.914 -0.016 0.000 2.357 95 V HA 0.543 4.661 4.120 -0.002 0.000 0.284 95 V C 0.004 176.131 176.094 0.055 0.000 1.018 95 V CA -0.333 61.910 62.300 -0.096 0.000 0.841 95 V CB 1.344 33.019 31.823 -0.247 0.000 0.991 95 V HN 0.905 nan 8.190 nan 0.000 0.437 96 T N 0.700 115.389 114.554 0.225 0.000 2.896 96 T HA 0.390 4.738 4.350 -0.002 0.000 0.297 96 T C 0.584 175.508 174.700 0.372 0.000 1.108 96 T CA -0.783 61.483 62.100 0.275 0.000 1.004 96 T CB 2.065 71.109 68.868 0.294 0.000 1.159 96 T HN 0.424 nan 8.240 nan 0.000 0.499 97 Q N 0.193 120.127 119.800 0.222 0.000 2.096 97 Q HA -0.095 4.244 4.340 -0.002 0.000 0.208 97 Q C 0.088 176.245 176.000 0.262 0.000 0.993 97 Q CA 1.406 57.332 55.803 0.205 0.000 0.862 97 Q CB 0.001 28.804 28.738 0.109 0.000 0.915 97 Q HN 0.598 nan 8.270 nan 0.000 0.416 98 E N 0.132 120.432 120.200 0.166 0.000 2.187 98 E HA 0.081 4.430 4.350 -0.002 0.000 0.268 98 E C 0.115 176.530 176.600 -0.309 0.000 0.896 98 E CA -0.207 56.173 56.400 -0.034 0.000 0.766 98 E CB 1.718 31.386 29.700 -0.054 0.000 1.142 98 E HN 0.192 nan 8.360 nan 0.000 0.408 99 Q N 3.329 122.581 119.800 -0.913 0.000 2.096 99 Q HA -0.225 4.114 4.340 -0.002 0.000 0.204 99 Q C 1.790 177.410 176.000 -0.633 0.000 0.982 99 Q CA 2.026 56.904 55.803 -1.541 0.000 0.850 99 Q CB 0.111 27.827 28.738 -1.702 0.000 0.901 99 Q HN 0.472 nan 8.270 nan 0.000 0.422 100 R N -0.214 120.058 120.500 -0.380 0.000 2.159 100 R HA -0.144 4.195 4.340 -0.002 0.000 0.237 100 R C 1.071 177.303 176.300 -0.113 0.000 1.131 100 R CA 1.629 57.607 56.100 -0.203 0.000 0.982 100 R CB -0.343 29.868 30.300 -0.148 0.000 0.868 100 R HN 0.241 nan 8.270 nan 0.000 0.453 101 D N 0.277 120.623 120.400 -0.089 0.000 2.269 101 D HA -0.056 4.583 4.640 -0.002 0.000 0.208 101 D C 1.183 177.526 176.300 0.072 0.000 0.963 101 D CA 1.345 55.350 54.000 0.008 0.000 0.864 101 D CB 0.161 40.976 40.800 0.025 0.000 0.936 101 D HN 0.320 nan 8.370 nan 0.000 0.505 102 T N -0.342 114.235 114.554 0.038 0.000 3.004 102 T HA 0.104 4.453 4.350 -0.002 0.000 0.243 102 T C 0.872 175.603 174.700 0.052 0.000 1.020 102 T CA 0.325 62.493 62.100 0.113 0.000 1.145 102 T CB 0.717 69.739 68.868 0.256 0.000 0.876 102 T HN 0.010 nan 8.240 nan 0.000 0.449 103 V N -0.715 119.187 119.914 -0.020 0.000 3.007 103 V HA 0.651 4.769 4.120 -0.002 0.000 0.311 103 V C -3.290 172.752 176.094 -0.086 0.000 1.120 103 V CA -3.293 58.982 62.300 -0.041 0.000 0.980 103 V CB 1.861 33.681 31.823 -0.005 0.000 1.033 103 V HN -0.120 nan 8.190 nan 0.000 0.429 104 P HA 0.277 nan 4.420 nan 0.000 0.269 104 P C -0.440 176.803 177.300 -0.095 0.000 1.209 104 P CA -0.091 62.953 63.100 -0.093 0.000 0.776 104 P CB 0.290 31.936 31.700 -0.090 0.000 0.876 105 I N 4.188 124.698 120.570 -0.101 0.000 2.379 105 I HA 0.149 4.317 4.170 -0.002 0.000 0.290 105 I C -1.839 174.231 176.117 -0.078 0.000 1.063 105 I CA -2.430 58.815 61.300 -0.091 0.000 1.351 105 I CB -0.096 37.847 38.000 -0.096 0.000 1.410 105 I HN 0.174 nan 8.210 nan 0.000 0.505 106 P HA 0.175 nan 4.420 nan 0.000 0.272 106 P C 0.528 177.791 177.300 -0.061 0.000 1.240 106 P CA -0.433 62.622 63.100 -0.074 0.000 0.791 106 P CB 1.362 33.022 31.700 -0.067 0.000 0.978 107 K N -0.580 119.782 120.400 -0.063 0.000 2.062 107 K HA 0.009 4.327 4.320 -0.002 0.000 0.205 107 K C 0.937 177.515 176.600 -0.037 0.000 1.051 107 K CA 1.421 57.679 56.287 -0.048 0.000 0.941 107 K CB -0.081 32.390 32.500 -0.048 0.000 0.719 107 K HN 0.710 nan 8.250 nan 0.000 0.440 108 T N -3.305 111.226 114.554 -0.037 0.000 2.864 108 T HA 0.583 4.932 4.350 -0.002 0.000 0.299 108 T C 0.233 174.920 174.700 -0.022 0.000 1.166 108 T CA -0.362 61.723 62.100 -0.025 0.000 1.007 108 T CB 2.081 70.937 68.868 -0.020 0.000 1.219 108 T HN 0.366 nan 8.240 nan 0.000 0.506 109 G N 0.468 109.261 108.800 -0.011 0.000 2.752 109 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.234 109 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.234 109 G C -0.753 174.145 174.900 -0.002 0.000 1.367 109 G CA -0.282 44.816 45.100 -0.004 0.000 0.879 109 G HN 1.020 nan 8.290 nan 0.000 0.563 110 L N 0.210 121.437 121.223 0.007 0.000 2.357 110 L HA 0.524 4.863 4.340 -0.002 0.000 0.273 110 L C 1.448 178.321 176.870 0.005 0.000 1.080 110 L CA -0.304 54.544 54.840 0.014 0.000 0.803 110 L CB 1.622 43.698 42.059 0.028 0.000 1.174 110 L HN 0.808 nan 8.230 nan 0.000 0.443 111 S N 1.200 116.903 115.700 0.004 0.000 2.546 111 S HA -0.021 4.448 4.470 -0.002 0.000 0.290 111 S C 0.596 175.201 174.600 0.008 0.000 1.290 111 S CA -0.000 58.195 58.200 -0.008 0.000 1.069 111 S CB 0.393 63.592 63.200 -0.002 0.000 0.846 111 S HN 0.647 nan 8.310 nan 0.000 0.495 112 Q N 3.761 123.562 119.800 0.002 0.000 2.220 112 Q HA 0.279 4.618 4.340 -0.002 0.000 0.205 112 Q C 0.423 176.436 176.000 0.023 0.000 0.865 112 Q CA 0.053 55.872 55.803 0.028 0.000 0.960 112 Q CB 0.204 28.987 28.738 0.075 0.000 1.097 112 Q HN 0.682 nan 8.270 nan 0.000 0.493 113 L N -0.136 121.091 121.223 0.006 0.000 2.818 113 L HA 0.412 4.750 4.340 -0.002 0.000 0.243 113 L C 0.651 177.573 176.870 0.086 0.000 1.185 113 L CA -0.313 54.543 54.840 0.025 0.000 0.988 113 L CB 0.532 42.541 42.059 -0.084 0.000 1.292 113 L HN 0.220 nan 8.230 nan 0.000 0.519 114 G N 0.084 108.915 108.800 0.052 0.000 2.359 114 G HA2 0.058 4.016 3.960 -0.002 0.000 0.303 114 G HA3 0.058 4.016 3.960 -0.002 0.000 0.303 114 G C -1.544 173.403 174.900 0.079 0.000 1.293 114 G CA -0.968 44.167 45.100 0.058 0.000 0.964 114 G HN -0.019 nan 8.290 nan 0.000 0.531 115 R N -0.788 119.776 120.500 0.107 0.000 2.538 115 R HA 0.455 4.794 4.340 -0.002 0.000 0.292 115 R C -1.482 174.949 176.300 0.217 0.000 1.008 115 R CA -0.707 55.481 56.100 0.148 0.000 0.896 115 R CB 1.994 32.361 30.300 0.111 0.000 1.187 115 R HN 0.663 nan 8.270 nan 0.000 0.440 116 W N 5.678 127.006 121.300 0.047 0.000 2.512 116 W HA 0.518 5.176 4.660 -0.003 0.000 0.335 116 W C -1.094 175.466 176.519 0.069 0.000 1.088 116 W CA -0.744 56.632 57.345 0.053 0.000 1.236 116 W CB 1.201 30.685 29.460 0.040 0.000 1.307 116 W HN 0.396 nan 8.180 nan 0.000 0.567 117 M N 5.718 124.867 119.600 -0.752 0.000 2.327 117 M HA 0.294 4.772 4.480 -0.002 0.000 0.298 117 M C -0.145 175.373 176.300 -1.304 0.000 1.065 117 M CA -0.594 54.216 55.300 -0.817 0.000 0.916 117 M CB 1.699 34.145 32.600 -0.257 0.000 1.630 117 M HN 0.576 nan 8.290 nan 0.000 0.442 118 S N 2.700 117.641 115.700 -1.264 0.000 2.573 118 S HA 0.118 4.587 4.470 -0.002 0.000 0.277 118 S C 0.599 175.056 174.600 -0.239 0.000 1.346 118 S CA -0.095 57.685 58.200 -0.699 0.000 1.034 118 S CB 0.752 63.755 63.200 -0.328 0.000 0.879 118 S HN 0.874 nan 8.310 nan 0.000 0.528 119 E N 1.005 121.166 120.200 -0.064 0.000 2.097 119 E HA -0.253 4.096 4.350 -0.002 0.000 0.196 119 E C 1.932 178.560 176.600 0.047 0.000 1.000 119 E CA 1.653 58.072 56.400 0.032 0.000 0.804 119 E CB -0.164 29.566 29.700 0.050 0.000 0.740 119 E HN 0.930 nan 8.360 nan 0.000 0.454 120 E N 0.882 121.091 120.200 0.015 0.000 2.031 120 E HA -0.224 4.125 4.350 -0.002 0.000 0.193 120 E C 1.556 178.153 176.600 -0.006 0.000 0.994 120 E CA 1.473 57.879 56.400 0.010 0.000 0.800 120 E CB 0.111 29.819 29.700 0.014 0.000 0.752 120 E HN 0.120 nan 8.360 nan 0.000 0.447 121 D N -0.149 120.234 120.400 -0.029 0.000 2.144 121 D HA -0.162 4.477 4.640 -0.002 0.000 0.199 121 D C 1.624 177.924 176.300 0.000 0.000 0.984 121 D CA 0.775 54.756 54.000 -0.032 0.000 0.834 121 D CB -0.338 40.419 40.800 -0.071 0.000 0.955 121 D HN 0.230 nan 8.370 nan 0.000 0.465 122 F N 1.567 121.468 119.950 -0.081 0.000 2.206 122 F HA -0.083 4.443 4.527 -0.002 0.000 0.298 122 F C 2.214 178.029 175.800 0.025 0.000 1.090 122 F CA 1.065 59.047 58.000 -0.030 0.000 1.323 122 F CB 0.015 38.983 39.000 -0.055 0.000 1.028 122 F HN -0.226 nan 8.300 nan 0.000 0.492 123 E N 0.612 120.751 120.200 -0.103 0.000 2.085 123 E HA -0.218 4.131 4.350 -0.002 0.000 0.194 123 E C 2.143 178.665 176.600 -0.130 0.000 0.994 123 E CA 1.673 57.986 56.400 -0.145 0.000 0.801 123 E CB -0.133 29.545 29.700 -0.035 0.000 0.743 123 E HN 0.345 nan 8.360 nan 0.000 0.453 124 K N -0.427 119.914 120.400 -0.098 0.000 2.032 124 K HA -0.121 4.197 4.320 -0.002 0.000 0.209 124 K C 2.082 178.606 176.600 -0.125 0.000 1.048 124 K CA 1.307 57.545 56.287 -0.082 0.000 0.927 124 K CB -0.223 32.245 32.500 -0.055 0.000 0.712 124 K HN 0.143 nan 8.250 nan 0.000 0.441 125 A N 0.509 123.224 122.820 -0.174 0.000 1.933 125 A HA -0.173 4.146 4.320 -0.002 0.000 0.218 125 A C 2.000 179.431 177.584 -0.254 0.000 1.175 125 A CA 1.182 53.105 52.037 -0.190 0.000 0.628 125 A CB -0.637 18.291 19.000 -0.120 0.000 0.814 125 A HN 0.379 nan 8.150 nan 0.000 0.444 126 F N 1.268 120.877 119.950 -0.568 0.000 2.146 126 F HA -0.133 4.393 4.527 -0.002 0.000 0.298 126 F C 1.917 177.616 175.800 -0.169 0.000 1.096 126 F CA 1.861 59.612 58.000 -0.414 0.000 1.275 126 F CB -0.116 38.472 39.000 -0.686 0.000 1.008 126 F HN 0.198 nan 8.300 nan 0.000 0.480 127 N N 0.659 119.325 118.700 -0.057 0.000 2.331 127 N HA -0.057 4.682 4.740 -0.002 0.000 0.180 127 N C 1.688 177.098 175.510 -0.166 0.000 1.019 127 N CA 1.102 54.102 53.050 -0.083 0.000 0.881 127 N CB -0.557 37.926 38.487 -0.006 0.000 0.972 127 N HN 0.379 nan 8.380 nan 0.000 0.435 128 A N 0.174 122.875 122.820 -0.199 0.000 2.238 128 A HA 0.111 4.429 4.320 -0.002 0.000 0.208 128 A C 2.000 179.370 177.584 -0.358 0.000 1.177 128 A CA 0.504 52.410 52.037 -0.218 0.000 0.804 128 A CB 0.079 18.976 19.000 -0.172 0.000 0.823 128 A HN 0.168 nan 8.150 nan 0.000 0.482 129 R N -2.862 117.313 120.500 -0.541 0.000 2.342 129 R HA 0.303 4.642 4.340 -0.002 0.000 0.179 129 R C 1.244 177.026 176.300 -0.863 0.000 0.989 129 R CA 0.453 55.919 56.100 -1.056 0.000 1.125 129 R CB -0.156 29.068 30.300 -1.794 0.000 1.211 129 R HN 0.395 nan 8.270 nan 0.000 0.568 130 F N 1.780 121.309 119.950 -0.701 0.000 2.293 130 F HA 0.131 4.657 4.527 -0.002 0.000 0.297 130 F C -1.424 174.214 175.800 -0.270 0.000 1.089 130 F CA -0.363 57.346 58.000 -0.485 0.000 1.377 130 F CB -0.697 37.769 39.000 -0.890 0.000 1.051 130 F HN -0.166 nan 8.300 nan 0.000 0.511 131 P HA 0.136 nan 4.420 nan 0.000 0.267 131 P C 0.703 177.981 177.300 -0.037 0.000 1.209 131 P CA 1.123 64.194 63.100 -0.048 0.000 0.763 131 P CB 0.451 32.118 31.700 -0.055 0.000 0.816 132 G N 2.950 111.741 108.800 -0.014 0.000 2.175 132 G HA2 -0.395 3.564 3.960 -0.002 0.000 0.265 132 G HA3 -0.395 3.564 3.960 -0.002 0.000 0.265 132 G C 1.125 176.015 174.900 -0.017 0.000 0.979 132 G CA 0.395 45.484 45.100 -0.018 0.000 0.663 132 G HN 0.703 nan 8.290 nan 0.000 0.533 133 C N -1.307 117.990 119.300 -0.005 0.000 2.432 133 C HA 0.442 4.900 4.460 -0.002 0.000 0.282 133 C C 2.322 177.288 174.990 -0.041 0.000 1.388 133 C CA 1.324 60.336 59.018 -0.010 0.000 1.777 133 C CB -0.610 27.147 27.740 0.028 0.000 1.882 133 C HN 0.492 nan 8.230 nan 0.000 0.520 134 M N 0.237 119.823 119.600 -0.023 0.000 2.404 134 M HA 0.204 4.682 4.480 -0.002 0.000 0.271 134 M C 0.383 176.662 176.300 -0.035 0.000 1.128 134 M CA -0.147 55.134 55.300 -0.031 0.000 0.982 134 M CB -0.127 32.466 32.600 -0.012 0.000 1.445 134 M HN 0.107 nan 8.290 nan 0.000 0.495 135 K N 1.321 121.700 120.400 -0.035 0.000 2.472 135 K HA 0.178 4.497 4.320 -0.002 0.000 0.280 135 K C 1.087 177.666 176.600 -0.034 0.000 1.028 135 K CA 1.421 57.685 56.287 -0.038 0.000 1.045 135 K CB 0.048 32.528 32.500 -0.033 0.000 0.902 135 K HN 0.438 nan 8.250 nan 0.000 0.478 136 G N 3.177 111.956 108.800 -0.035 0.000 2.179 136 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.260 136 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.260 136 G C -0.074 174.827 174.900 0.001 0.000 0.977 136 G CA 0.383 45.473 45.100 -0.017 0.000 0.641 136 G HN 0.598 nan 8.290 nan 0.000 0.533 137 R N -0.590 119.904 120.500 -0.010 0.000 2.888 137 R HA 0.637 4.976 4.340 -0.002 0.000 0.266 137 R C -0.592 175.705 176.300 -0.005 0.000 1.020 137 R CA -0.569 55.535 56.100 0.007 0.000 0.963 137 R CB 1.187 31.485 30.300 -0.003 0.000 1.197 137 R HN 0.105 nan 8.270 nan 0.000 0.481 138 T N 2.162 116.698 114.554 -0.029 0.000 2.817 138 T HA 0.225 4.574 4.350 -0.002 0.000 0.293 138 T C -0.004 174.539 174.700 -0.262 0.000 0.964 138 T CA -0.252 61.744 62.100 -0.174 0.000 1.085 138 T CB 0.679 69.325 68.868 -0.371 0.000 0.921 138 T HN 0.323 nan 8.240 nan 0.000 0.502 139 M N 4.625 124.099 119.600 -0.211 0.000 2.108 139 M HA 0.374 4.852 4.480 -0.002 0.000 0.354 139 M C -1.579 174.604 176.300 -0.195 0.000 1.229 139 M CA -0.557 54.670 55.300 -0.122 0.000 1.081 139 M CB 0.253 32.826 32.600 -0.045 0.000 1.606 139 M HN 0.578 nan 8.290 nan 0.000 0.467 140 Y N 3.599 123.933 120.300 0.056 0.000 2.334 140 Y HA 0.464 5.012 4.550 -0.003 0.000 0.328 140 Y C -0.146 175.804 175.900 0.084 0.000 1.130 140 Y CA -0.677 57.465 58.100 0.069 0.000 1.163 140 Y CB 1.408 39.864 38.460 -0.006 0.000 1.207 140 Y HN 0.370 nan 8.280 nan 0.000 0.471 141 V N 5.609 125.669 119.914 0.244 0.000 2.334 141 V HA 0.322 4.440 4.120 -0.002 0.000 0.281 141 V C -0.244 175.955 176.094 0.176 0.000 1.016 141 V CA -0.739 61.661 62.300 0.167 0.000 0.832 141 V CB 0.597 32.477 31.823 0.095 0.000 0.999 141 V HN 0.582 nan 8.190 nan 0.000 0.439 142 I N 7.695 128.376 120.570 0.184 0.000 2.337 142 I HA 0.350 4.519 4.170 -0.002 0.000 0.285 142 I C -2.479 173.765 176.117 0.212 0.000 1.041 142 I CA -1.886 59.526 61.300 0.186 0.000 1.199 142 I CB 1.881 39.984 38.000 0.171 0.000 1.370 142 I HN 0.416 nan 8.210 nan 0.000 0.470 143 P HA 0.257 nan 4.420 nan 0.000 0.287 143 P C -1.040 176.315 177.300 0.091 0.000 1.294 143 P CA -0.151 62.952 63.100 0.004 0.000 0.776 143 P CB 0.267 31.940 31.700 -0.046 0.000 0.889 144 F N -0.014 119.913 119.950 -0.039 0.000 2.588 144 F HA 0.771 5.297 4.527 -0.002 0.000 0.310 144 F C -0.606 175.187 175.800 -0.011 0.000 1.082 144 F CA -1.318 56.667 58.000 -0.025 0.000 0.929 144 F CB 1.526 40.513 39.000 -0.023 0.000 1.254 144 F HN 0.132 nan 8.300 nan 0.000 0.455 145 S N 3.838 119.613 115.700 0.124 0.000 2.449 145 S HA 0.655 5.124 4.470 -0.002 0.000 0.310 145 S C -0.729 173.985 174.600 0.190 0.000 1.096 145 S CA -0.759 57.486 58.200 0.075 0.000 1.095 145 S CB 0.601 63.820 63.200 0.032 0.000 1.007 145 S HN 0.605 nan 8.310 nan 0.000 0.474 146 M N 4.147 123.888 119.600 0.234 0.000 2.080 146 M HA 0.494 4.973 4.480 -0.002 0.000 0.350 146 M C 0.756 177.069 176.300 0.022 0.000 1.173 146 M CA 0.113 55.519 55.300 0.177 0.000 1.052 146 M CB -0.203 32.648 32.600 0.418 0.000 1.577 146 M HN 1.052 nan 8.290 nan 0.000 0.455 147 G N 5.947 114.676 108.800 -0.117 0.000 2.730 147 G HA2 -0.065 3.893 3.960 -0.002 0.000 0.686 147 G HA3 -0.065 3.893 3.960 -0.002 0.000 0.686 147 G C -3.084 171.771 174.900 -0.076 0.000 1.343 147 G CA -1.350 43.684 45.100 -0.110 0.000 0.826 147 G HN 0.478 nan 8.290 nan 0.000 0.582 148 P HA 0.222 nan 4.420 nan 0.000 0.265 148 P C 0.483 177.733 177.300 -0.084 0.000 1.193 148 P CA -0.274 62.735 63.100 -0.152 0.000 0.765 148 P CB 0.760 32.338 31.700 -0.204 0.000 0.823 149 L N 3.424 124.602 121.223 -0.075 0.000 2.774 149 L HA 0.260 4.599 4.340 -0.002 0.000 0.279 149 L C 0.740 177.584 176.870 -0.044 0.000 1.137 149 L CA 1.421 56.234 54.840 -0.045 0.000 1.021 149 L CB -1.533 40.502 42.059 -0.040 0.000 1.366 149 L HN 0.766 nan 8.230 nan 0.000 0.471 150 G N 2.644 111.426 108.800 -0.031 0.000 2.951 150 G HA2 -0.074 3.884 3.960 -0.002 0.000 0.508 150 G HA3 -0.074 3.884 3.960 -0.002 0.000 0.508 150 G C -0.097 174.787 174.900 -0.026 0.000 1.203 150 G CA -0.307 44.775 45.100 -0.030 0.000 1.209 150 G HN 0.752 nan 8.290 nan 0.000 0.552 155 K N 1.536 122.166 120.400 0.384 0.000 2.378 155 K HA 0.639 4.957 4.320 -0.002 0.000 0.252 155 K C -1.129 175.573 176.600 0.171 0.000 0.931 155 K CA -0.595 55.892 56.287 0.333 0.000 0.794 155 K CB 2.234 35.095 32.500 0.602 0.000 1.181 155 K HN 0.493 nan 8.250 nan 0.000 0.425 156 I N 0.924 121.478 120.570 -0.027 0.000 2.525 156 I HA 0.457 4.625 4.170 -0.002 0.000 0.301 156 I C 0.443 176.266 176.117 -0.490 0.000 0.992 156 I CA -0.548 60.602 61.300 -0.249 0.000 1.162 156 I CB 2.077 39.982 38.000 -0.158 0.000 1.332 156 I HN 0.714 nan 8.210 nan 0.000 0.458 157 G N 5.482 113.652 108.800 -1.051 0.000 2.605 157 G HA2 0.709 4.668 3.960 -0.002 0.000 0.296 157 G HA3 0.709 4.668 3.960 -0.002 0.000 0.296 157 G C -1.249 173.144 174.900 -0.845 0.000 1.304 157 G CA -0.417 44.066 45.100 -1.029 0.000 0.941 157 G HN 0.305 nan 8.290 nan 0.000 0.475 158 I N 0.937 121.341 120.570 -0.276 0.000 2.410 158 I HA 0.327 4.496 4.170 -0.002 0.000 0.286 158 I C -0.377 175.954 176.117 0.356 0.000 1.009 158 I CA -0.567 60.712 61.300 -0.035 0.000 1.111 158 I CB 1.545 39.416 38.000 -0.213 0.000 1.262 158 I HN 0.628 nan 8.210 nan 0.000 0.443 159 E N 7.252 127.733 120.200 0.467 0.000 2.134 159 E HA 0.514 4.863 4.350 -0.002 0.000 0.278 159 E C -1.311 175.471 176.600 0.303 0.000 0.959 159 E CA -0.585 56.058 56.400 0.405 0.000 0.783 159 E CB 1.224 31.089 29.700 0.275 0.000 1.095 159 E HN 0.489 nan 8.360 nan 0.000 0.399 160 L N 3.891 125.292 121.223 0.296 0.000 2.289 160 L HA 0.489 4.828 4.340 -0.002 0.000 0.285 160 L C 0.231 177.243 176.870 0.237 0.000 1.049 160 L CA -0.473 54.482 54.840 0.192 0.000 0.804 160 L CB 1.686 43.770 42.059 0.042 0.000 1.195 160 L HN 0.510 nan 8.230 nan 0.000 0.428 161 T N -0.494 114.205 114.554 0.242 0.000 2.894 161 T HA 0.273 4.621 4.350 -0.002 0.000 0.309 161 T C -0.625 174.247 174.700 0.286 0.000 1.208 161 T CA -0.640 61.643 62.100 0.305 0.000 1.016 161 T CB 1.540 70.577 68.868 0.281 0.000 1.192 161 T HN 0.731 nan 8.240 nan 0.000 0.491 162 D N 1.220 121.754 120.400 0.222 0.000 2.427 162 D HA 0.242 4.881 4.640 -0.002 0.000 0.224 162 D C 0.204 176.615 176.300 0.186 0.000 1.157 162 D CA -0.239 53.871 54.000 0.184 0.000 0.828 162 D CB 0.242 41.067 40.800 0.041 0.000 0.974 162 D HN 0.238 nan 8.370 nan 0.000 0.498 163 S N 0.734 116.538 115.700 0.174 0.000 2.566 163 S HA 0.426 4.895 4.470 -0.002 0.000 0.324 163 S C -2.052 172.448 174.600 -0.167 0.000 1.081 163 S CA -1.497 56.715 58.200 0.020 0.000 1.105 163 S CB 1.651 64.877 63.200 0.042 0.000 0.981 163 S HN -0.226 nan 8.310 nan 0.000 0.464 164 P HA -0.055 nan 4.420 nan 0.000 0.221 164 P C 0.983 178.122 177.300 -0.268 0.000 1.150 164 P CA 0.593 63.395 63.100 -0.497 0.000 0.800 164 P CB -0.100 31.389 31.700 -0.350 0.000 0.787 165 Y N 0.701 120.859 120.300 -0.236 0.000 2.145 165 Y HA -0.209 4.340 4.550 -0.002 0.000 0.286 165 Y C 2.065 177.872 175.900 -0.154 0.000 1.145 165 Y CA 1.403 59.419 58.100 -0.141 0.000 1.148 165 Y CB -0.996 37.420 38.460 -0.074 0.000 0.981 165 Y HN -0.292 nan 8.280 nan 0.000 0.507 166 V N -0.579 119.247 119.914 -0.147 0.000 2.287 166 V HA -0.339 3.780 4.120 -0.002 0.000 0.248 166 V C 2.391 178.299 176.094 -0.310 0.000 1.053 166 V CA 1.766 63.904 62.300 -0.270 0.000 1.027 166 V CB -0.948 30.730 31.823 -0.241 0.000 0.646 166 V HN 0.392 nan 8.190 nan 0.000 0.447 167 V N 0.402 120.127 119.914 -0.315 0.000 2.231 167 V HA -0.340 3.778 4.120 -0.002 0.000 0.248 167 V C 2.717 178.646 176.094 -0.275 0.000 1.054 167 V CA 2.433 64.548 62.300 -0.307 0.000 1.015 167 V CB -1.268 30.281 31.823 -0.457 0.000 0.638 167 V HN 0.584 nan 8.190 nan 0.000 0.444 168 A N -0.679 121.959 122.820 -0.305 0.000 1.972 168 A HA -0.189 4.129 4.320 -0.002 0.000 0.219 168 A C 2.439 179.869 177.584 -0.258 0.000 1.169 168 A CA 2.201 54.082 52.037 -0.260 0.000 0.635 168 A CB -0.591 18.248 19.000 -0.268 0.000 0.810 168 A HN 0.537 nan 8.150 nan 0.000 0.446 169 S N -0.438 115.047 115.700 -0.358 0.000 2.371 169 S HA -0.085 4.383 4.470 -0.002 0.000 0.224 169 S C 1.982 176.423 174.600 -0.265 0.000 1.029 169 S CA 1.400 59.397 58.200 -0.339 0.000 0.978 169 S CB -0.282 62.613 63.200 -0.509 0.000 0.833 169 S HN 0.464 nan 8.310 nan 0.000 0.466 170 M N 1.303 120.737 119.600 -0.278 0.000 2.202 170 M HA -0.042 4.437 4.480 -0.002 0.000 0.262 170 M C 2.169 178.375 176.300 -0.157 0.000 1.063 170 M CA 1.238 56.390 55.300 -0.247 0.000 1.097 170 M CB -1.087 31.360 32.600 -0.256 0.000 1.382 170 M HN 0.291 nan 8.290 nan 0.000 0.413 171 R N 0.374 120.795 120.500 -0.131 0.000 2.096 171 R HA -0.104 4.234 4.340 -0.002 0.000 0.235 171 R C 1.983 178.247 176.300 -0.061 0.000 1.127 171 R CA 1.256 57.311 56.100 -0.075 0.000 0.968 171 R CB -0.103 30.153 30.300 -0.073 0.000 0.861 171 R HN 0.321 nan 8.270 nan 0.000 0.440 172 I N 0.064 120.583 120.570 -0.085 0.000 2.235 172 I HA -0.197 3.971 4.170 -0.002 0.000 0.241 172 I C 1.990 178.059 176.117 -0.080 0.000 1.085 172 I CA 0.768 62.027 61.300 -0.069 0.000 1.378 172 I CB -0.080 37.879 38.000 -0.068 0.000 1.076 172 I HN 0.150 nan 8.210 nan 0.000 0.415 173 M N 0.356 119.889 119.600 -0.111 0.000 2.562 173 M HA 0.057 4.536 4.480 -0.002 0.000 0.257 173 M C 0.913 177.154 176.300 -0.099 0.000 1.099 173 M CA 0.771 55.996 55.300 -0.124 0.000 1.099 173 M CB -1.322 31.168 32.600 -0.183 0.000 1.427 173 M HN 0.371 nan 8.290 nan 0.000 0.489 174 T N -1.858 112.653 114.554 -0.072 0.000 2.865 174 T HA 0.651 5.000 4.350 -0.002 0.000 0.294 174 T C -0.464 174.257 174.700 0.034 0.000 1.119 174 T CA -1.045 61.054 62.100 -0.001 0.000 1.007 174 T CB 2.058 70.939 68.868 0.021 0.000 1.225 174 T HN -0.013 nan 8.240 nan 0.000 0.515 175 R N 1.170 121.710 120.500 0.067 0.000 2.316 175 R HA 0.584 4.922 4.340 -0.002 0.000 0.314 175 R C -0.092 176.260 176.300 0.087 0.000 1.069 175 R CA -0.271 55.863 56.100 0.056 0.000 0.959 175 R CB 0.367 30.685 30.300 0.030 0.000 0.987 175 R HN 0.592 nan 8.270 nan 0.000 0.446 176 M N 2.070 121.707 119.600 0.062 0.000 2.457 176 M HA 0.596 5.075 4.480 -0.002 0.000 0.300 176 M C -0.095 176.235 176.300 0.050 0.000 1.141 176 M CA 0.011 55.357 55.300 0.076 0.000 0.901 176 M CB 1.988 34.619 32.600 0.051 0.000 1.687 176 M HN 0.729 nan 8.290 nan 0.000 0.449 177 G N 2.372 111.203 108.800 0.051 0.000 2.306 177 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.262 177 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.262 177 G C 0.122 175.032 174.900 0.017 0.000 1.263 177 G CA -0.031 45.092 45.100 0.038 0.000 1.088 177 G HN 0.594 nan 8.290 nan 0.000 0.489 178 T N 2.290 116.852 114.554 0.012 0.000 2.665 178 T HA -0.066 4.283 4.350 -0.002 0.000 0.268 178 T C -0.169 174.526 174.700 -0.008 0.000 1.035 178 T CA 2.684 64.783 62.100 -0.001 0.000 1.151 178 T CB -1.053 67.814 68.868 -0.001 0.000 0.862 178 T HN 0.378 nan 8.240 nan 0.000 0.438 179 P HA -0.016 nan 4.420 nan 0.000 0.219 179 P C 1.550 178.841 177.300 -0.016 0.000 1.146 179 P CA 0.543 63.638 63.100 -0.009 0.000 0.808 179 P CB -0.229 31.469 31.700 -0.004 0.000 0.779 180 V N -0.622 119.282 119.914 -0.017 0.000 2.379 180 V HA -0.194 3.924 4.120 -0.002 0.000 0.245 180 V C 2.463 178.525 176.094 -0.054 0.000 1.044 180 V CA 1.463 63.743 62.300 -0.033 0.000 1.036 180 V CB -1.174 30.631 31.823 -0.031 0.000 0.664 180 V HN 0.066 nan 8.190 nan 0.000 0.453 181 L N -0.319 120.872 121.223 -0.054 0.000 2.042 181 L HA -0.233 4.106 4.340 -0.002 0.000 0.210 181 L C 2.582 179.426 176.870 -0.043 0.000 1.076 181 L CA 1.769 56.571 54.840 -0.063 0.000 0.749 181 L CB -0.539 41.487 42.059 -0.054 0.000 0.893 181 L HN 0.393 nan 8.230 nan 0.000 0.432 182 E N -0.136 120.047 120.200 -0.030 0.000 2.051 182 E HA -0.218 4.131 4.350 -0.002 0.000 0.192 182 E C 2.254 178.841 176.600 -0.021 0.000 0.991 182 E CA 1.253 57.640 56.400 -0.021 0.000 0.799 182 E CB -0.137 29.553 29.700 -0.016 0.000 0.748 182 E HN 0.491 nan 8.360 nan 0.000 0.449 183 A N 0.644 123.450 122.820 -0.024 0.000 2.015 183 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 183 A C 2.069 179.641 177.584 -0.020 0.000 1.163 183 A CA 0.749 52.773 52.037 -0.021 0.000 0.646 183 A CB -0.359 18.628 19.000 -0.022 0.000 0.806 183 A HN 0.235 nan 8.150 nan 0.000 0.448 184 L N -0.638 120.567 121.223 -0.030 0.000 2.027 184 L HA 0.163 4.501 4.340 -0.002 0.000 0.206 184 L C 1.758 178.626 176.870 -0.002 0.000 1.074 184 L CA 1.910 56.736 54.840 -0.023 0.000 0.745 184 L CB -1.167 40.858 42.059 -0.056 0.000 0.898 184 L HN 0.683 nan 8.230 nan 0.000 0.433 185 G N -0.584 108.211 108.800 -0.008 0.000 2.634 185 G HA2 -0.398 3.560 3.960 -0.002 0.000 0.309 185 G HA3 -0.398 3.560 3.960 -0.002 0.000 0.309 185 G C 0.494 175.406 174.900 0.021 0.000 1.265 185 G CA 0.478 45.580 45.100 0.003 0.000 0.998 185 G HN 0.417 nan 8.290 nan 0.000 0.551 186 D N 2.329 122.745 120.400 0.028 0.000 2.395 186 D HA 0.335 4.974 4.640 -0.002 0.000 0.226 186 D C 1.435 177.766 176.300 0.051 0.000 1.146 186 D CA 0.809 54.837 54.000 0.046 0.000 0.830 186 D CB -0.288 40.530 40.800 0.031 0.000 0.958 186 D HN 0.671 nan 8.370 nan 0.000 0.501 187 G N 1.177 110.008 108.800 0.050 0.000 2.699 187 G HA2 0.117 4.076 3.960 -0.002 0.000 0.246 187 G HA3 0.117 4.076 3.960 -0.002 0.000 0.246 187 G C 0.418 175.362 174.900 0.073 0.000 1.219 187 G CA -0.466 44.660 45.100 0.044 0.000 0.866 187 G HN 0.106 nan 8.290 nan 0.000 0.572 188 E N -1.019 119.189 120.200 0.013 0.000 2.349 188 E HA 0.537 4.886 4.350 -0.002 0.000 0.262 188 E C -0.841 175.764 176.600 0.009 0.000 1.088 188 E CA -0.418 55.940 56.400 -0.070 0.000 0.899 188 E CB 1.224 30.839 29.700 -0.142 0.000 1.044 188 E HN 0.439 nan 8.360 nan 0.000 0.420 189 F N -1.922 117.931 119.950 -0.162 0.000 2.626 189 F HA 0.477 5.002 4.527 -0.003 0.000 0.311 189 F C -0.984 174.639 175.800 -0.295 0.000 1.088 189 F CA -1.672 56.181 58.000 -0.244 0.000 0.949 189 F CB 0.980 39.817 39.000 -0.271 0.000 1.322 189 F HN 0.270 nan 8.300 nan 0.000 0.461 190 V N 2.867 122.656 119.914 -0.208 0.000 2.555 190 V HA 0.297 4.416 4.120 -0.002 0.000 0.286 190 V C -0.256 175.737 176.094 -0.168 0.000 1.044 190 V CA -0.492 61.638 62.300 -0.283 0.000 1.026 190 V CB 0.911 32.417 31.823 -0.528 0.000 0.981 190 V HN 0.777 nan 8.190 nan 0.000 0.480 191 K N 5.923 126.148 120.400 -0.291 0.000 2.276 191 K HA 0.440 4.758 4.320 -0.002 0.000 0.285 191 K C -0.923 175.663 176.600 -0.022 0.000 1.062 191 K CA -0.257 55.746 56.287 -0.474 0.000 0.918 191 K CB 0.645 32.689 32.500 -0.761 0.000 1.055 191 K HN 0.687 nan 8.250 nan 0.000 0.477 192 C N 4.464 123.920 119.300 0.259 0.000 2.346 192 C HA 0.427 4.885 4.460 -0.002 0.000 0.326 192 C C -0.963 174.305 174.990 0.464 0.000 1.224 192 C CA -1.008 58.215 59.018 0.343 0.000 1.408 192 C CB 0.050 27.993 27.740 0.339 0.000 2.089 192 C HN 0.686 nan 8.230 nan 0.000 0.456 193 L N 5.031 126.482 121.223 0.380 0.000 2.356 193 L HA 0.633 4.972 4.340 -0.002 0.000 0.277 193 L C -0.581 176.531 176.870 0.403 0.000 0.996 193 L CA 0.226 55.275 54.840 0.348 0.000 0.822 193 L CB 0.692 42.895 42.059 0.239 0.000 1.256 193 L HN 0.819 nan 8.230 nan 0.000 0.413 194 H N 3.499 122.749 119.070 0.300 0.000 2.679 194 H HA 0.650 5.205 4.556 -0.002 0.000 0.360 194 H C -1.926 173.543 175.328 0.234 0.000 1.105 194 H CA -0.348 55.867 56.048 0.278 0.000 1.196 194 H CB 2.087 31.941 29.762 0.152 0.000 1.636 194 H HN 0.664 nan 8.280 nan 0.000 0.531 195 S N 3.433 118.808 115.700 -0.541 0.000 2.540 195 S HA 0.210 4.678 4.470 -0.002 0.000 0.275 195 S C 1.149 175.152 174.600 -0.994 0.000 1.123 195 S CA -0.203 57.602 58.200 -0.658 0.000 0.907 195 S CB 1.149 64.137 63.200 -0.352 0.000 1.081 195 S HN 0.564 nan 8.310 nan 0.000 0.476 196 V N 2.238 121.729 119.914 -0.705 0.000 2.867 196 V HA 0.255 4.374 4.120 -0.002 0.000 0.260 196 V C 1.551 177.228 176.094 -0.696 0.000 1.099 196 V CA 1.350 63.321 62.300 -0.549 0.000 1.122 196 V CB -1.659 29.956 31.823 -0.346 0.000 0.708 196 V HN 1.912 nan 8.190 nan 0.000 0.490 197 G N -0.761 107.507 108.800 -0.885 0.000 2.182 197 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.248 197 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.248 197 G C -0.009 174.683 174.900 -0.346 0.000 1.042 197 G CA 0.017 44.540 45.100 -0.962 0.000 0.775 197 G HN 0.872 nan 8.290 nan 0.000 0.501 198 C N 2.054 121.202 119.300 -0.254 0.000 3.335 198 C HA 0.439 4.898 4.460 -0.002 0.000 0.217 198 C C -1.470 173.461 174.990 -0.098 0.000 1.330 198 C CA -1.578 57.358 59.018 -0.136 0.000 1.470 198 C CB 0.579 28.244 27.740 -0.125 0.000 1.806 198 C HN 0.493 nan 8.230 nan 0.000 0.468 199 P HA 0.120 nan 4.420 nan 0.000 0.268 199 P C -0.525 176.752 177.300 -0.038 0.000 1.205 199 P CA 0.513 63.582 63.100 -0.051 0.000 0.771 199 P CB 0.884 32.562 31.700 -0.037 0.000 0.858 200 L N 4.544 125.749 121.223 -0.031 0.000 2.350 200 L HA 0.349 4.688 4.340 -0.002 0.000 0.275 200 L C -1.649 175.211 176.870 -0.018 0.000 1.099 200 L CA -2.051 52.777 54.840 -0.020 0.000 0.808 200 L CB 0.546 42.597 42.059 -0.013 0.000 1.149 200 L HN 0.249 nan 8.230 nan 0.000 0.442 201 P HA 0.182 nan 4.420 nan 0.000 0.275 201 P C -0.494 176.799 177.300 -0.012 0.000 1.227 201 P CA -0.495 62.599 63.100 -0.010 0.000 0.781 201 P CB 0.804 32.501 31.700 -0.006 0.000 0.906 202 L N 3.025 124.241 121.223 -0.011 0.000 2.559 202 L HA -0.059 4.279 4.340 -0.002 0.000 0.274 202 L C 1.744 178.610 176.870 -0.008 0.000 1.205 202 L CA 0.160 54.993 54.840 -0.012 0.000 0.907 202 L CB 0.042 42.096 42.059 -0.009 0.000 1.153 202 L HN 0.351 nan 8.230 nan 0.000 0.490 203 Q N 2.621 122.415 119.800 -0.009 0.000 2.408 203 Q HA 0.189 4.528 4.340 -0.002 0.000 0.205 203 Q C -0.068 175.932 176.000 -0.000 0.000 0.919 203 Q CA 0.757 56.557 55.803 -0.005 0.000 0.932 203 Q CB 0.552 29.286 28.738 -0.006 0.000 1.058 203 Q HN 0.526 nan 8.270 nan 0.000 0.517 204 K N 0.386 120.786 120.400 0.000 0.000 2.512 204 K HA 0.443 4.761 4.320 -0.002 0.000 0.263 204 K C -2.666 173.939 176.600 0.008 0.000 0.966 204 K CA -1.914 54.376 56.287 0.006 0.000 0.851 204 K CB 1.901 34.407 32.500 0.008 0.000 1.395 204 K HN -0.202 nan 8.250 nan 0.000 0.440 205 P HA 0.022 nan 4.420 nan 0.000 0.266 205 P C -1.082 176.233 177.300 0.025 0.000 1.195 205 P CA -0.431 62.679 63.100 0.018 0.000 0.768 205 P CB 0.366 32.077 31.700 0.018 0.000 0.838 206 L N 4.446 125.686 121.223 0.028 0.000 2.264 206 L HA 0.270 4.608 4.340 -0.002 0.000 0.289 206 L C -0.730 176.173 176.870 0.055 0.000 1.044 206 L CA -0.259 54.606 54.840 0.042 0.000 0.807 206 L CB 1.155 43.235 42.059 0.035 0.000 1.192 206 L HN 0.079 nan 8.230 nan 0.000 0.425 207 V N 5.505 125.467 119.914 0.081 0.000 2.394 207 V HA 0.363 4.481 4.120 -0.002 0.000 0.282 207 V C 0.420 176.580 176.094 0.110 0.000 1.031 207 V CA -0.879 61.465 62.300 0.074 0.000 0.881 207 V CB 1.162 33.021 31.823 0.061 0.000 0.982 207 V HN 0.855 nan 8.190 nan 0.000 0.451 208 N N 4.305 123.051 118.700 0.077 0.000 2.710 208 N HA -0.231 4.508 4.740 -0.002 0.000 0.249 208 N C 0.674 176.279 175.510 0.158 0.000 1.059 208 N CA 1.079 54.187 53.050 0.096 0.000 0.720 208 N CB -0.966 37.563 38.487 0.069 0.000 0.983 208 N HN 0.943 nan 8.380 nan 0.000 0.544 209 N N -2.229 116.550 118.700 0.131 0.000 2.693 209 N HA -0.233 4.506 4.740 -0.002 0.000 0.249 209 N C -0.764 174.844 175.510 0.163 0.000 1.119 209 N CA 1.122 54.246 53.050 0.122 0.000 0.717 209 N CB -0.909 37.642 38.487 0.105 0.000 1.071 209 N HN 0.574 nan 8.380 nan 0.000 0.555 210 W N 2.766 124.061 121.300 -0.008 0.000 2.322 210 W HA 0.321 4.980 4.660 -0.003 0.000 0.321 210 W C -2.623 173.881 176.519 -0.025 0.000 0.991 210 W CA -1.552 55.777 57.345 -0.026 0.000 1.448 210 W CB 0.809 30.249 29.460 -0.033 0.000 1.239 210 W HN -0.082 nan 8.180 nan 0.000 0.399 211 P HA 0.108 nan 4.420 nan 0.000 0.271 211 P C -0.190 176.951 177.300 -0.266 0.000 1.226 211 P CA 0.467 63.438 63.100 -0.216 0.000 0.765 211 P CB 0.650 32.209 31.700 -0.234 0.000 0.835 212 C N 1.063 120.317 119.300 -0.078 0.000 3.318 212 C HA 0.668 5.126 4.460 -0.002 0.000 0.322 212 C C -0.615 174.346 174.990 -0.048 0.000 1.398 212 C CA -0.705 58.289 59.018 -0.040 0.000 1.339 212 C CB 1.678 29.511 27.740 0.154 0.000 1.668 212 C HN 0.526 nan 8.230 nan 0.000 0.462 213 N N 0.784 119.452 118.700 -0.054 0.000 2.725 213 N HA 0.374 5.112 4.740 -0.002 0.000 0.248 213 N C -2.313 173.230 175.510 0.054 0.000 1.402 213 N CA -1.199 51.844 53.050 -0.012 0.000 0.766 213 N CB 1.437 39.895 38.487 -0.049 0.000 1.223 213 N HN 0.447 nan 8.380 nan 0.000 0.515 214 P HA -0.052 nan 4.420 nan 0.000 0.216 214 P C 0.770 178.124 177.300 0.090 0.000 1.153 214 P CA 1.225 64.377 63.100 0.088 0.000 0.848 214 P CB 0.638 32.386 31.700 0.080 0.000 0.787 215 E N -0.636 119.611 120.200 0.078 0.000 2.118 215 E HA -0.114 4.234 4.350 -0.002 0.000 0.195 215 E C 1.523 178.174 176.600 0.085 0.000 0.992 215 E CA 0.973 57.415 56.400 0.071 0.000 0.804 215 E CB -0.629 29.104 29.700 0.054 0.000 0.741 215 E HN 0.251 nan 8.360 nan 0.000 0.458 216 L N 0.450 121.747 121.223 0.124 0.000 2.728 216 L HA 0.158 4.497 4.340 -0.002 0.000 0.238 216 L C 0.148 177.170 176.870 0.254 0.000 1.143 216 L CA -0.283 54.647 54.840 0.152 0.000 0.937 216 L CB 0.266 42.423 42.059 0.164 0.000 1.225 216 L HN -0.058 nan 8.230 nan 0.000 0.507 217 T N 2.279 116.961 114.554 0.213 0.000 2.905 217 T HA 0.180 4.528 4.350 -0.002 0.000 0.299 217 T C -0.386 174.453 174.700 0.231 0.000 1.024 217 T CA 0.720 62.955 62.100 0.224 0.000 1.151 217 T CB 0.620 69.588 68.868 0.166 0.000 0.987 217 T HN -0.020 nan 8.240 nan 0.000 0.535 218 L N 5.181 126.576 121.223 0.288 0.000 2.588 218 L HA 0.572 4.911 4.340 -0.002 0.000 0.263 218 L C -1.750 175.314 176.870 0.323 0.000 0.935 218 L CA -0.412 54.600 54.840 0.287 0.000 0.891 218 L CB 1.638 43.876 42.059 0.298 0.000 1.318 218 L HN 0.517 nan 8.230 nan 0.000 0.409 219 I N 5.012 125.745 120.570 0.272 0.000 2.390 219 I HA 0.793 4.961 4.170 -0.002 0.000 0.283 219 I C 0.008 176.218 176.117 0.155 0.000 1.016 219 I CA -0.065 61.371 61.300 0.227 0.000 1.151 219 I CB 1.662 39.809 38.000 0.245 0.000 1.293 219 I HN 0.700 nan 8.210 nan 0.000 0.458 220 A N 4.928 127.759 122.820 0.018 0.000 2.355 220 A HA 0.890 5.208 4.320 -0.002 0.000 0.324 220 A C -1.216 176.136 177.584 -0.388 0.000 1.117 220 A CA -0.561 51.423 52.037 -0.087 0.000 0.785 220 A CB 0.628 19.534 19.000 -0.157 0.000 1.254 220 A HN 0.685 nan 8.150 nan 0.000 0.453 221 H N 0.715 119.730 119.070 -0.092 0.000 2.609 221 H HA 0.575 5.129 4.556 -0.003 0.000 0.344 221 H C -1.387 173.867 175.328 -0.124 0.000 1.040 221 H CA -0.561 55.463 56.048 -0.039 0.000 1.216 221 H CB 1.263 31.059 29.762 0.056 0.000 1.529 221 H HN 0.367 nan 8.280 nan 0.000 0.519 222 L N 5.569 126.770 121.223 -0.037 0.000 2.387 222 L HA 0.297 4.636 4.340 -0.002 0.000 0.259 222 L C -1.660 175.213 176.870 0.004 0.000 1.050 222 L CA -1.394 53.403 54.840 -0.070 0.000 0.922 222 L CB 1.327 43.285 42.059 -0.168 0.000 1.280 222 L HN 0.516 nan 8.230 nan 0.000 0.449 223 P HA -0.182 nan 4.420 nan 0.000 0.216 223 P C 0.892 178.201 177.300 0.016 0.000 1.150 223 P CA 1.233 64.364 63.100 0.053 0.000 0.837 223 P CB 0.533 32.268 31.700 0.057 0.000 0.786 224 D N -0.405 119.997 120.400 0.003 0.000 2.144 224 D HA -0.106 4.533 4.640 -0.002 0.000 0.199 224 D C 1.940 178.220 176.300 -0.032 0.000 0.984 224 D CA 0.919 54.911 54.000 -0.013 0.000 0.834 224 D CB 0.008 40.804 40.800 -0.007 0.000 0.955 224 D HN 0.180 nan 8.370 nan 0.000 0.465 225 R N 0.122 120.598 120.500 -0.040 0.000 2.297 225 R HA 0.153 4.492 4.340 -0.002 0.000 0.197 225 R C 0.168 176.416 176.300 -0.087 0.000 0.943 225 R CA -0.079 55.981 56.100 -0.066 0.000 1.038 225 R CB 0.349 30.607 30.300 -0.071 0.000 0.957 225 R HN 0.054 nan 8.270 nan 0.000 0.484 226 R N 1.162 121.632 120.500 -0.050 0.000 3.336 226 R HA -0.183 4.156 4.340 -0.002 0.000 0.260 226 R C -1.098 175.160 176.300 -0.069 0.000 1.032 226 R CA 0.815 56.892 56.100 -0.039 0.000 0.693 226 R CB -1.730 28.515 30.300 -0.091 0.000 1.134 226 R HN 0.377 nan 8.270 nan 0.000 0.433 227 E N 0.391 120.570 120.200 -0.035 0.000 2.222 227 E HA 0.519 4.867 4.350 -0.002 0.000 0.267 227 E C -0.319 176.286 176.600 0.010 0.000 0.884 227 E CA -0.843 55.537 56.400 -0.032 0.000 0.764 227 E CB 1.872 31.540 29.700 -0.053 0.000 1.169 227 E HN 0.128 nan 8.360 nan 0.000 0.413 228 I N 3.773 124.372 120.570 0.048 0.000 2.436 228 I HA 0.440 4.608 4.170 -0.002 0.000 0.289 228 I C -0.660 175.508 176.117 0.085 0.000 1.010 228 I CA -0.615 60.699 61.300 0.023 0.000 1.098 228 I CB 1.396 39.445 38.000 0.081 0.000 1.266 228 I HN 0.343 nan 8.210 nan 0.000 0.434 229 I N 4.828 125.438 120.570 0.065 0.000 2.468 229 I HA 0.306 4.474 4.170 -0.002 0.000 0.285 229 I C -0.445 175.880 176.117 0.346 0.000 1.039 229 I CA -0.204 61.233 61.300 0.228 0.000 1.074 229 I CB 2.029 40.202 38.000 0.288 0.000 1.228 229 I HN 0.444 nan 8.210 nan 0.000 0.436 230 S N 6.692 122.677 115.700 0.475 0.000 2.647 230 S HA 0.630 5.099 4.470 -0.002 0.000 0.300 230 S C -1.345 173.563 174.600 0.513 0.000 1.129 230 S CA -0.370 58.108 58.200 0.465 0.000 1.029 230 S CB 0.763 64.195 63.200 0.386 0.000 1.007 230 S HN 0.391 nan 8.310 nan 0.000 0.484 231 F N 3.742 123.832 119.950 0.232 0.000 2.507 231 F HA 0.653 5.178 4.527 -0.003 0.000 0.325 231 F C 0.955 176.728 175.800 -0.046 0.000 1.116 231 F CA 0.575 58.541 58.000 -0.057 0.000 0.930 231 F CB 1.690 40.560 39.000 -0.218 0.000 1.146 231 F HN 0.834 nan 8.300 nan 0.000 0.447 232 G N 2.739 111.152 108.800 -0.644 0.000 2.175 232 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.244 232 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.244 232 G C -0.150 174.689 174.900 -0.101 0.000 0.982 232 G CA 0.166 45.024 45.100 -0.402 0.000 0.641 232 G HN 1.084 nan 8.290 nan 0.000 0.527 233 S N -0.874 114.843 115.700 0.027 0.000 2.538 233 S HA 0.666 5.134 4.470 -0.002 0.000 0.288 233 S C 1.069 175.850 174.600 0.301 0.000 1.108 233 S CA 0.654 58.973 58.200 0.198 0.000 0.971 233 S CB 1.567 64.924 63.200 0.261 0.000 1.041 233 S HN 1.322 nan 8.310 nan 0.000 0.483 234 G N 2.048 111.038 108.800 0.317 0.000 2.887 234 G HA2 0.103 4.061 3.960 -0.002 0.000 0.211 234 G HA3 0.103 4.061 3.960 -0.002 0.000 0.211 234 G C 0.137 175.333 174.900 0.494 0.000 1.152 234 G CA -0.130 45.120 45.100 0.250 0.000 0.769 234 G HN 0.739 nan 8.290 nan 0.000 0.541 235 Y N 2.284 122.852 120.300 0.448 0.000 2.717 235 Y HA 0.313 4.862 4.550 -0.002 0.000 0.330 235 Y C 1.601 177.655 175.900 0.257 0.000 1.217 235 Y CA -0.123 58.191 58.100 0.357 0.000 1.506 235 Y CB 1.139 39.735 38.460 0.226 0.000 1.268 235 Y HN -0.027 nan 8.280 nan 0.000 0.561 236 G N 4.096 112.497 108.800 -0.665 0.000 2.505 236 G HA2 -0.335 3.623 3.960 -0.002 0.000 0.220 236 G HA3 -0.335 3.623 3.960 -0.002 0.000 0.220 236 G C 1.617 176.099 174.900 -0.697 0.000 1.145 236 G CA 0.806 45.467 45.100 -0.731 0.000 0.761 236 G HN 1.013 nan 8.290 nan 0.000 0.571 237 G N 0.443 108.810 108.800 -0.721 0.000 2.462 237 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.220 237 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.220 237 G C 1.647 176.593 174.900 0.076 0.000 1.121 237 G CA 1.116 46.157 45.100 -0.099 0.000 0.758 237 G HN 0.458 nan 8.290 nan 0.000 0.559 238 N N -0.091 118.684 118.700 0.125 0.000 2.388 238 N HA -0.001 4.737 4.740 -0.002 0.000 0.176 238 N C 2.246 177.826 175.510 0.116 0.000 1.062 238 N CA 1.172 54.342 53.050 0.200 0.000 0.895 238 N CB 0.421 39.092 38.487 0.308 0.000 1.018 238 N HN 0.471 nan 8.380 nan 0.000 0.456 239 S N -0.524 115.149 115.700 -0.045 0.000 2.539 239 S HA 0.243 4.712 4.470 -0.002 0.000 0.226 239 S C 0.644 175.051 174.600 -0.321 0.000 1.054 239 S CA -0.345 57.698 58.200 -0.262 0.000 0.910 239 S CB -0.002 62.976 63.200 -0.370 0.000 0.818 239 S HN 0.012 nan 8.310 nan 0.000 0.490 240 L N 3.205 124.249 121.223 -0.299 0.000 2.375 240 L HA 0.378 4.716 4.340 -0.002 0.000 0.276 240 L C 0.789 177.512 176.870 -0.245 0.000 1.162 240 L CA -0.281 54.352 54.840 -0.344 0.000 0.991 240 L CB 0.339 42.126 42.059 -0.455 0.000 1.315 240 L HN 0.259 nan 8.230 nan 0.000 0.431 241 L N 1.774 122.875 121.223 -0.204 0.000 2.376 241 L HA -0.018 4.321 4.340 -0.002 0.000 0.219 241 L C 2.357 179.257 176.870 0.051 0.000 1.133 241 L CA 0.802 55.625 54.840 -0.029 0.000 0.816 241 L CB -0.346 41.749 42.059 0.061 0.000 0.933 241 L HN 0.763 nan 8.230 nan 0.000 0.449 242 G N 0.270 108.967 108.800 -0.173 0.000 2.443 242 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.219 242 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.219 242 G C 1.589 176.609 174.900 0.200 0.000 1.131 242 G CA 0.456 45.600 45.100 0.074 0.000 0.775 242 G HN 0.290 nan 8.290 nan 0.000 0.547 243 K N 0.086 120.492 120.400 0.010 0.000 2.074 243 K HA 0.083 4.401 4.320 -0.002 0.000 0.214 243 K C 2.395 178.997 176.600 0.004 0.000 1.029 243 K CA 0.451 56.719 56.287 -0.033 0.000 0.966 243 K CB -0.059 32.339 32.500 -0.171 0.000 0.945 243 K HN -0.118 nan 8.250 nan 0.000 0.453 244 K N 0.598 120.973 120.400 -0.043 0.000 2.031 244 K HA -0.046 4.272 4.320 -0.002 0.000 0.205 244 K C 2.410 179.085 176.600 0.125 0.000 1.049 244 K CA 1.183 57.425 56.287 -0.076 0.000 0.939 244 K CB -0.723 31.739 32.500 -0.063 0.000 0.717 244 K HN 0.366 nan 8.250 nan 0.000 0.438 245 C N 0.628 120.075 119.300 0.245 0.000 2.413 245 C HA -0.115 4.344 4.460 -0.002 0.000 0.277 245 C C 2.592 177.849 174.990 0.445 0.000 1.228 245 C CA 0.486 59.767 59.018 0.438 0.000 1.731 245 C CB -0.889 27.057 27.740 0.344 0.000 2.042 245 C HN 0.393 nan 8.230 nan 0.000 0.468 246 F N 1.696 121.798 119.950 0.252 0.000 2.148 246 F HA 0.281 4.807 4.527 -0.003 0.000 0.285 246 F C 2.355 178.361 175.800 0.342 0.000 1.092 246 F CA 1.292 59.469 58.000 0.294 0.000 1.218 246 F CB -0.887 38.316 39.000 0.338 0.000 1.059 246 F HN 0.071 nan 8.300 nan 0.000 0.490 247 A N 0.209 123.172 122.820 0.239 0.000 2.121 247 A HA 0.009 4.328 4.320 -0.002 0.000 0.218 247 A C 2.088 179.867 177.584 0.325 0.000 1.154 247 A CA 1.505 53.752 52.037 0.349 0.000 0.679 247 A CB -0.749 18.425 19.000 0.290 0.000 0.795 247 A HN 0.516 nan 8.150 nan 0.000 0.458 248 L N -2.424 118.877 121.223 0.131 0.000 2.416 248 L HA 0.125 4.464 4.340 -0.002 0.000 0.188 248 L C 2.728 179.648 176.870 0.085 0.000 1.145 248 L CA 0.256 55.147 54.840 0.086 0.000 0.826 248 L CB -0.445 41.548 42.059 -0.110 0.000 1.064 248 L HN 0.209 nan 8.230 nan 0.000 0.490 249 R N -0.241 120.309 120.500 0.083 0.000 2.075 249 R HA -0.095 4.243 4.340 -0.002 0.000 0.230 249 R C 2.271 178.614 176.300 0.072 0.000 1.140 249 R CA 1.444 57.582 56.100 0.064 0.000 0.928 249 R CB -0.213 30.039 30.300 -0.080 0.000 0.834 249 R HN 0.237 nan 8.270 nan 0.000 0.429 250 M N -0.038 119.614 119.600 0.088 0.000 2.132 250 M HA -0.064 4.414 4.480 -0.002 0.000 0.263 250 M C 2.464 178.695 176.300 -0.114 0.000 1.065 250 M CA 1.491 56.830 55.300 0.064 0.000 1.122 250 M CB -0.808 31.935 32.600 0.238 0.000 1.365 250 M HN 0.214 nan 8.290 nan 0.000 0.411 251 A N 0.806 123.457 122.820 -0.282 0.000 1.930 251 A HA -0.123 4.196 4.320 -0.002 0.000 0.217 251 A C 2.405 179.738 177.584 -0.419 0.000 1.175 251 A CA 2.124 53.900 52.037 -0.434 0.000 0.627 251 A CB -0.869 17.851 19.000 -0.467 0.000 0.815 251 A HN 0.610 nan 8.150 nan 0.000 0.443 252 S N -0.485 115.128 115.700 -0.145 0.000 2.400 252 S HA -0.201 4.267 4.470 -0.002 0.000 0.232 252 S C 2.096 176.665 174.600 -0.051 0.000 1.025 252 S CA 1.193 59.400 58.200 0.013 0.000 0.993 252 S CB -0.433 62.965 63.200 0.330 0.000 0.808 252 S HN 0.486 nan 8.310 nan 0.000 0.478 253 R N 1.163 121.608 120.500 -0.091 0.000 2.062 253 R HA 0.158 4.496 4.340 -0.002 0.000 0.231 253 R C 2.447 178.477 176.300 -0.450 0.000 1.136 253 R CA 1.450 57.360 56.100 -0.316 0.000 0.948 253 R CB -1.203 29.028 30.300 -0.115 0.000 0.845 253 R HN 0.497 nan 8.270 nan 0.000 0.430 254 L N 0.209 121.211 121.223 -0.368 0.000 2.012 254 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 254 L C 2.696 179.198 176.870 -0.614 0.000 1.073 254 L CA 1.634 56.267 54.840 -0.345 0.000 0.748 254 L CB -0.718 41.235 42.059 -0.177 0.000 0.891 254 L HN 0.196 nan 8.230 nan 0.000 0.431 255 A N -0.128 121.992 122.820 -1.168 0.000 1.892 255 A HA -0.278 4.040 4.320 -0.002 0.000 0.218 255 A C 2.432 179.442 177.584 -0.958 0.000 1.188 255 A CA 2.089 53.051 52.037 -1.790 0.000 0.631 255 A CB -0.580 17.359 19.000 -1.769 0.000 0.822 255 A HN 0.321 nan 8.150 nan 0.000 0.447 256 K N -0.067 119.804 120.400 -0.881 0.000 2.103 256 K HA -0.220 4.099 4.320 -0.002 0.000 0.207 256 K C 1.801 177.959 176.600 -0.736 0.000 1.048 256 K CA 2.025 57.626 56.287 -1.144 0.000 0.930 256 K CB -0.197 31.604 32.500 -1.166 0.000 0.716 256 K HN 0.661 nan 8.250 nan 0.000 0.444 257 E N 0.119 120.010 120.200 -0.515 0.000 2.072 257 E HA -0.124 4.224 4.350 -0.002 0.000 0.190 257 E C 1.242 177.746 176.600 -0.159 0.000 0.982 257 E CA 1.164 57.391 56.400 -0.289 0.000 0.803 257 E CB 0.167 29.733 29.700 -0.224 0.000 0.755 257 E HN 0.404 nan 8.360 nan 0.000 0.453 258 E N -0.865 119.254 120.200 -0.135 0.000 2.463 258 E HA 0.151 4.499 4.350 -0.002 0.000 0.193 258 E C 0.530 177.257 176.600 0.211 0.000 1.041 258 E CA 0.269 56.725 56.400 0.093 0.000 0.879 258 E CB 1.024 30.908 29.700 0.306 0.000 0.997 258 E HN 0.308 nan 8.360 nan 0.000 0.478 259 G N 1.470 110.340 108.800 0.118 0.000 2.136 259 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.242 259 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.242 259 G C -0.071 175.021 174.900 0.320 0.000 0.989 259 G CA 0.439 45.702 45.100 0.273 0.000 0.682 259 G HN 0.305 nan 8.290 nan 0.000 0.522 260 W N -1.230 120.107 121.300 0.062 0.000 3.459 260 W HA 0.849 5.508 4.660 -0.002 0.000 0.340 260 W C -0.732 175.791 176.519 0.007 0.000 1.275 260 W CA -1.730 55.590 57.345 -0.043 0.000 0.985 260 W CB 0.720 30.124 29.460 -0.093 0.000 1.745 260 W HN 0.116 nan 8.180 nan 0.000 0.627 261 L N 1.389 122.690 121.223 0.131 0.000 2.436 261 L HA 0.643 4.982 4.340 -0.002 0.000 0.268 261 L C -0.497 176.478 176.870 0.174 0.000 0.974 261 L CA -0.906 53.928 54.840 -0.010 0.000 0.826 261 L CB 1.828 43.798 42.059 -0.149 0.000 1.291 261 L HN 0.578 nan 8.230 nan 0.000 0.406 262 A N 3.019 125.896 122.820 0.096 0.000 2.291 262 A HA 0.817 5.135 4.320 -0.002 0.000 0.311 262 A C -0.783 177.048 177.584 0.413 0.000 1.224 262 A CA -0.491 51.731 52.037 0.309 0.000 0.821 262 A CB 0.836 19.879 19.000 0.072 0.000 1.172 262 A HN 0.589 nan 8.150 nan 0.000 0.494 263 E N 0.623 121.107 120.200 0.472 0.000 2.343 263 E HA 0.197 4.546 4.350 -0.002 0.000 0.270 263 E C -1.028 175.821 176.600 0.414 0.000 0.895 263 E CA -0.587 56.107 56.400 0.491 0.000 0.767 263 E CB 1.500 31.543 29.700 0.571 0.000 1.248 263 E HN 0.789 nan 8.360 nan 0.000 0.440 264 H N 2.122 121.348 119.070 0.259 0.000 2.970 264 H HA 0.286 4.841 4.556 -0.003 0.000 0.226 264 H C -0.622 174.818 175.328 0.187 0.000 1.909 264 H CA -0.013 56.126 56.048 0.152 0.000 1.388 264 H CB -0.111 29.728 29.762 0.128 0.000 1.773 264 H HN 0.170 nan 8.280 nan 0.000 0.559 265 M N 3.574 123.313 119.600 0.230 0.000 2.395 265 M HA 0.179 4.658 4.480 -0.002 0.000 0.307 265 M C -0.775 175.616 176.300 0.151 0.000 1.091 265 M CA -1.316 54.080 55.300 0.160 0.000 0.919 265 M CB 2.563 35.286 32.600 0.205 0.000 1.662 265 M HN 0.274 nan 8.290 nan 0.000 0.440 266 L N 1.805 123.111 121.223 0.138 0.000 2.452 266 L HA 0.743 5.081 4.340 -0.002 0.000 0.267 266 L C -0.770 176.203 176.870 0.172 0.000 1.188 266 L CA -0.373 54.564 54.840 0.162 0.000 0.821 266 L CB 0.338 42.500 42.059 0.171 0.000 1.102 266 L HN 0.441 nan 8.230 nan 0.000 0.470 267 V N 3.428 123.454 119.914 0.188 0.000 2.638 267 V HA 0.660 4.779 4.120 -0.002 0.000 0.306 267 V C -0.279 175.955 176.094 0.234 0.000 1.052 267 V CA -0.463 61.964 62.300 0.211 0.000 0.885 267 V CB 1.409 33.356 31.823 0.207 0.000 0.999 267 V HN 0.921 nan 8.190 nan 0.000 0.424 268 L N 2.367 123.737 121.223 0.246 0.000 2.350 268 L HA 1.113 5.452 4.340 -0.002 0.000 0.260 268 L C 0.022 177.014 176.870 0.204 0.000 1.015 268 L CA -0.549 54.419 54.840 0.213 0.000 0.821 268 L CB 2.025 44.168 42.059 0.140 0.000 1.370 268 L HN 0.629 nan 8.230 nan 0.000 0.416 269 G N 1.336 110.167 108.800 0.052 0.000 2.417 269 G HA2 0.667 4.626 3.960 -0.002 0.000 0.320 269 G HA3 0.667 4.626 3.960 -0.002 0.000 0.320 269 G C -1.395 173.446 174.900 -0.098 0.000 1.204 269 G CA -0.489 44.419 45.100 -0.320 0.000 0.923 269 G HN 0.895 nan 8.290 nan 0.000 0.466 270 I N 1.611 122.171 120.570 -0.017 0.000 2.433 270 I HA 0.610 4.778 4.170 -0.002 0.000 0.292 270 I C -0.476 175.765 176.117 0.208 0.000 1.001 270 I CA -0.375 61.022 61.300 0.161 0.000 1.119 270 I CB 2.111 40.287 38.000 0.293 0.000 1.289 270 I HN 0.373 nan 8.210 nan 0.000 0.438 271 T N 6.338 120.959 114.554 0.112 0.000 2.792 271 T HA 0.353 4.701 4.350 -0.002 0.000 0.280 271 T C -0.301 174.126 174.700 -0.454 0.000 0.990 271 T CA -0.696 61.369 62.100 -0.058 0.000 0.960 271 T CB 0.954 69.779 68.868 -0.071 0.000 0.939 271 T HN 0.740 nan 8.240 nan 0.000 0.439 272 N N 3.246 121.381 118.700 -0.942 0.000 2.347 272 N HA 0.257 4.995 4.740 -0.002 0.000 0.253 272 N C -2.245 172.622 175.510 -1.072 0.000 1.274 272 N CA -2.053 49.870 53.050 -1.877 0.000 0.941 272 N CB -0.048 37.326 38.487 -1.855 0.000 1.200 272 N HN 0.112 nan 8.380 nan 0.000 0.514 273 P HA -0.000 nan 4.420 nan 0.000 0.228 273 P C -0.042 177.071 177.300 -0.310 0.000 1.151 273 P CA 1.151 63.946 63.100 -0.509 0.000 0.770 273 P CB 0.184 31.661 31.700 -0.372 0.000 0.786 274 E N -1.518 118.500 120.200 -0.304 0.000 2.463 274 E HA 0.294 4.643 4.350 -0.002 0.000 0.193 274 E C 1.374 177.898 176.600 -0.127 0.000 1.041 274 E CA 0.421 56.721 56.400 -0.167 0.000 0.879 274 E CB -0.571 29.058 29.700 -0.117 0.000 0.997 274 E HN 0.107 nan 8.360 nan 0.000 0.478 275 G N 1.190 109.892 108.800 -0.163 0.000 2.157 275 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.248 275 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.248 275 G C 0.078 174.951 174.900 -0.045 0.000 0.979 275 G CA 0.174 45.215 45.100 -0.098 0.000 0.650 275 G HN 0.341 nan 8.290 nan 0.000 0.529 276 E N 0.614 120.803 120.200 -0.019 0.000 2.289 276 E HA 0.506 4.854 4.350 -0.002 0.000 0.278 276 E C -0.069 176.659 176.600 0.213 0.000 1.032 276 E CA -0.417 56.049 56.400 0.111 0.000 0.854 276 E CB 0.420 30.247 29.700 0.212 0.000 1.046 276 E HN 0.281 nan 8.360 nan 0.000 0.409 277 K N 4.116 124.597 120.400 0.135 0.000 2.345 277 K HA 0.336 4.655 4.320 -0.002 0.000 0.255 277 K C -1.140 175.469 176.600 0.016 0.000 0.934 277 K CA -0.687 55.654 56.287 0.090 0.000 0.801 277 K CB 1.057 33.543 32.500 -0.024 0.000 1.137 277 K HN 0.365 nan 8.250 nan 0.000 0.424 278 K N 2.879 123.287 120.400 0.014 0.000 2.375 278 K HA 0.314 4.632 4.320 -0.002 0.000 0.249 278 K C -1.282 175.255 176.600 -0.105 0.000 0.942 278 K CA -0.903 55.349 56.287 -0.059 0.000 0.806 278 K CB 1.673 34.068 32.500 -0.174 0.000 1.227 278 K HN 0.386 nan 8.250 nan 0.000 0.430 279 Y N 1.403 121.747 120.300 0.074 0.000 2.342 279 Y HA 0.418 4.967 4.550 -0.003 0.000 0.334 279 Y C -0.048 175.912 175.900 0.099 0.000 1.067 279 Y CA -0.745 57.413 58.100 0.097 0.000 1.128 279 Y CB 1.190 39.700 38.460 0.085 0.000 1.200 279 Y HN 0.194 nan 8.280 nan 0.000 0.464 280 L N 3.041 124.416 121.223 0.254 0.000 2.362 280 L HA 0.873 5.212 4.340 -0.002 0.000 0.271 280 L C -0.473 176.510 176.870 0.188 0.000 1.002 280 L CA -1.184 53.773 54.840 0.195 0.000 0.818 280 L CB 1.957 44.110 42.059 0.157 0.000 1.298 280 L HN 0.668 nan 8.230 nan 0.000 0.420 281 A N 2.086 124.995 122.820 0.150 0.000 2.324 281 A HA 0.932 5.250 4.320 -0.002 0.000 0.330 281 A C -0.594 177.017 177.584 0.046 0.000 1.165 281 A CA -0.422 51.692 52.037 0.127 0.000 0.813 281 A CB 1.517 20.604 19.000 0.144 0.000 1.197 281 A HN 0.790 nan 8.150 nan 0.000 0.484 282 A N 1.015 123.857 122.820 0.036 0.000 2.398 282 A HA 0.770 5.088 4.320 -0.002 0.000 0.301 282 A C -0.262 177.229 177.584 -0.155 0.000 1.041 282 A CA 0.104 52.067 52.037 -0.124 0.000 0.711 282 A CB 1.215 20.190 19.000 -0.042 0.000 1.240 282 A HN 2.202 nan 8.150 nan 0.000 0.420 283 A N 2.047 124.687 122.820 -0.299 0.000 2.271 283 A HA 0.807 5.125 4.320 -0.002 0.000 0.317 283 A C -1.060 176.283 177.584 -0.402 0.000 1.245 283 A CA -0.230 51.714 52.037 -0.156 0.000 0.857 283 A CB -0.070 19.027 19.000 0.161 0.000 1.175 283 A HN 0.693 nan 8.150 nan 0.000 0.512 284 F N 2.743 122.681 119.950 -0.020 0.000 2.551 284 F HA 0.542 5.068 4.527 -0.002 0.000 0.316 284 F C -2.099 173.686 175.800 -0.026 0.000 1.089 284 F CA -1.973 56.013 58.000 -0.023 0.000 0.915 284 F CB 2.281 41.279 39.000 -0.003 0.000 1.186 284 F HN 0.378 nan 8.300 nan 0.000 0.456 285 P HA 0.131 nan 4.420 nan 0.000 0.282 285 P C -0.573 176.798 177.300 0.118 0.000 1.286 285 P CA -0.541 62.639 63.100 0.134 0.000 0.777 285 P CB 0.373 32.106 31.700 0.056 0.000 1.184 286 S N -0.948 114.805 115.700 0.088 0.000 2.589 286 S HA 0.377 4.845 4.470 -0.002 0.000 0.265 286 S C 0.699 175.279 174.600 -0.033 0.000 1.342 286 S CA 0.051 58.282 58.200 0.051 0.000 1.005 286 S CB -0.671 62.561 63.200 0.053 0.000 0.909 286 S HN 0.785 nan 8.310 nan 0.000 0.555 287 A N -0.551 122.234 122.820 -0.058 0.000 2.826 287 A HA -0.183 4.135 4.320 -0.002 0.000 0.274 287 A C 1.055 178.498 177.584 -0.234 0.000 1.443 287 A CA 0.695 52.654 52.037 -0.129 0.000 0.833 287 A CB -2.600 16.310 19.000 -0.149 0.000 1.023 287 A HN 1.079 nan 8.150 nan 0.000 0.600 288 C N -1.323 117.896 119.300 -0.136 0.000 3.183 288 C HA 0.538 4.997 4.460 -0.002 0.000 0.285 288 C C 2.014 177.016 174.990 0.020 0.000 1.313 288 C CA 0.412 59.376 59.018 -0.089 0.000 1.711 288 C CB -0.608 27.095 27.740 -0.063 0.000 2.135 288 C HN 2.393 nan 8.230 nan 0.000 0.651 289 G N 2.006 110.785 108.800 -0.034 0.000 2.182 289 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.248 289 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.248 289 G C 0.963 175.793 174.900 -0.117 0.000 1.042 289 G CA 0.522 45.589 45.100 -0.055 0.000 0.775 289 G HN 0.358 nan 8.290 nan 0.000 0.501 290 K N -0.426 119.918 120.400 -0.093 0.000 2.056 290 K HA -0.244 4.075 4.320 -0.002 0.000 0.225 290 K C 2.519 179.122 176.600 0.006 0.000 1.053 290 K CA 2.447 58.742 56.287 0.014 0.000 0.966 290 K CB -0.916 31.623 32.500 0.066 0.000 0.735 290 K HN 0.512 nan 8.250 nan 0.000 0.455 291 T N 1.725 116.268 114.554 -0.020 0.000 2.821 291 T HA -0.063 4.285 4.350 -0.002 0.000 0.267 291 T C 1.563 176.220 174.700 -0.071 0.000 1.046 291 T CA 1.124 63.192 62.100 -0.053 0.000 1.139 291 T CB -0.199 68.642 68.868 -0.045 0.000 0.871 291 T HN 0.232 nan 8.240 nan 0.000 0.454 292 N N 1.293 119.963 118.700 -0.051 0.000 2.223 292 N HA -0.036 4.702 4.740 -0.002 0.000 0.185 292 N C 1.705 177.163 175.510 -0.087 0.000 1.016 292 N CA 0.693 53.713 53.050 -0.050 0.000 0.863 292 N CB -0.401 38.083 38.487 -0.006 0.000 0.983 292 N HN 0.269 nan 8.380 nan 0.000 0.429 293 L N 0.875 122.044 121.223 -0.091 0.000 2.162 293 L HA 0.188 4.527 4.340 -0.002 0.000 0.205 293 L C 2.095 178.964 176.870 -0.001 0.000 1.086 293 L CA 1.024 55.828 54.840 -0.060 0.000 0.778 293 L CB -0.755 41.316 42.059 0.020 0.000 0.928 293 L HN 0.062 nan 8.230 nan 0.000 0.446 294 A N 0.587 123.410 122.820 0.004 0.000 1.940 294 A HA -0.177 4.141 4.320 -0.002 0.000 0.219 294 A C 1.869 179.424 177.584 -0.048 0.000 1.176 294 A CA 2.160 54.199 52.037 0.004 0.000 0.631 294 A CB -0.661 18.327 19.000 -0.021 0.000 0.814 294 A HN 0.629 nan 8.150 nan 0.000 0.446 295 M N -1.727 117.808 119.600 -0.108 0.000 2.869 295 M HA 0.466 4.944 4.480 -0.002 0.000 0.353 295 M C 0.196 176.448 176.300 -0.080 0.000 1.224 295 M CA -0.303 54.929 55.300 -0.113 0.000 0.917 295 M CB -0.024 32.455 32.600 -0.203 0.000 1.322 295 M HN 0.308 nan 8.290 nan 0.000 0.516 296 M N 2.709 122.272 119.600 -0.062 0.000 2.251 296 M HA 0.066 4.545 4.480 -0.002 0.000 0.343 296 M C -0.402 175.869 176.300 -0.048 0.000 1.245 296 M CA 1.046 56.308 55.300 -0.064 0.000 1.061 296 M CB 0.447 32.996 32.600 -0.084 0.000 1.723 296 M HN 0.581 nan 8.290 nan 0.000 0.449 297 N N 7.344 126.014 118.700 -0.050 0.000 2.420 297 N HA 0.390 5.128 4.740 -0.002 0.000 0.249 297 N C -2.596 172.887 175.510 -0.045 0.000 1.033 297 N CA -1.503 51.524 53.050 -0.040 0.000 0.944 297 N CB 0.958 39.418 38.487 -0.045 0.000 1.113 297 N HN 0.468 nan 8.380 nan 0.000 0.502 298 P HA 0.074 nan 4.420 nan 0.000 0.279 298 P C 0.530 177.805 177.300 -0.041 0.000 1.239 298 P CA -0.281 62.792 63.100 -0.046 0.000 0.789 298 P CB 1.402 33.100 31.700 -0.003 0.000 0.933 299 S N 3.095 118.749 115.700 -0.076 0.000 2.414 299 S HA 0.000 4.469 4.470 -0.002 0.000 0.227 299 S C 1.057 175.632 174.600 -0.041 0.000 1.022 299 S CA 0.078 58.237 58.200 -0.067 0.000 0.958 299 S CB -0.691 62.450 63.200 -0.100 0.000 0.797 299 S HN 0.361 nan 8.310 nan 0.000 0.493 300 L N 3.256 124.442 121.223 -0.061 0.000 2.462 300 L HA 0.264 4.602 4.340 -0.002 0.000 0.272 300 L C -2.371 174.596 176.870 0.161 0.000 1.166 300 L CA -1.778 53.058 54.840 -0.007 0.000 0.880 300 L CB -0.032 41.896 42.059 -0.219 0.000 1.142 300 L HN 0.103 nan 8.230 nan 0.000 0.473 301 P HA 0.058 nan 4.420 nan 0.000 0.265 301 P C 0.806 178.211 177.300 0.175 0.000 1.193 301 P CA 0.507 63.681 63.100 0.123 0.000 0.765 301 P CB 0.895 32.639 31.700 0.073 0.000 0.823 302 G N 0.550 109.399 108.800 0.081 0.000 2.225 302 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.254 302 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.254 302 G C -0.333 174.487 174.900 -0.133 0.000 0.988 302 G CA -0.521 44.555 45.100 -0.040 0.000 0.625 302 G HN 0.390 nan 8.290 nan 0.000 0.527 303 W N 0.753 122.008 121.300 -0.076 0.000 2.303 303 W HA 0.737 5.395 4.660 -0.002 0.000 0.334 303 W C 0.651 177.129 176.519 -0.068 0.000 1.197 303 W CA -0.359 56.931 57.345 -0.093 0.000 1.262 303 W CB 0.906 30.305 29.460 -0.101 0.000 1.153 303 W HN 0.090 nan 8.180 nan 0.000 0.596 304 K N 1.229 121.729 120.400 0.167 0.000 2.482 304 K HA 0.635 4.954 4.320 -0.002 0.000 0.251 304 K C -1.834 174.830 176.600 0.106 0.000 0.936 304 K CA -0.657 55.683 56.287 0.088 0.000 0.791 304 K CB 1.915 34.426 32.500 0.017 0.000 1.213 304 K HN 0.291 nan 8.250 nan 0.000 0.428 305 V N 3.224 123.182 119.914 0.073 0.000 2.540 305 V HA 0.424 4.542 4.120 -0.002 0.000 0.302 305 V C -0.883 175.233 176.094 0.038 0.000 1.035 305 V CA -0.692 61.644 62.300 0.059 0.000 0.873 305 V CB 1.899 33.751 31.823 0.047 0.000 0.992 305 V HN 0.822 nan 8.190 nan 0.000 0.428 306 E N 1.847 122.072 120.200 0.041 0.000 2.288 306 E HA 0.477 4.826 4.350 -0.002 0.000 0.268 306 E C -1.455 175.198 176.600 0.088 0.000 0.885 306 E CA -0.536 55.898 56.400 0.057 0.000 0.767 306 E CB 2.435 32.177 29.700 0.069 0.000 1.220 306 E HN 0.705 nan 8.360 nan 0.000 0.427 307 C N 3.086 122.438 119.300 0.086 0.000 2.295 307 C HA 0.376 4.835 4.460 -0.002 0.000 0.331 307 C C 1.263 176.366 174.990 0.188 0.000 1.280 307 C CA -0.307 58.775 59.018 0.106 0.000 1.746 307 C CB -0.252 27.498 27.740 0.018 0.000 2.328 307 C HN 0.698 nan 8.230 nan 0.000 0.521 308 V N 5.059 125.125 119.914 0.253 0.000 2.672 308 V HA 0.402 4.520 4.120 -0.002 0.000 0.242 308 V C 1.361 177.639 176.094 0.307 0.000 1.059 308 V CA 1.330 63.818 62.300 0.314 0.000 1.081 308 V CB -0.141 31.870 31.823 0.312 0.000 0.752 308 V HN 1.082 nan 8.190 nan 0.000 0.472 309 G N 0.044 109.017 108.800 0.288 0.000 2.667 309 G HA2 0.429 4.388 3.960 -0.002 0.000 0.294 309 G HA3 0.429 4.388 3.960 -0.002 0.000 0.294 309 G C -0.847 174.221 174.900 0.280 0.000 1.467 309 G CA 0.389 45.684 45.100 0.325 0.000 0.852 309 G HN 0.106 nan 8.290 nan 0.000 0.521 310 D N -0.845 119.750 120.400 0.325 0.000 2.433 310 D HA 0.176 4.814 4.640 -0.002 0.000 0.211 310 D C 0.386 176.786 176.300 0.167 0.000 1.114 310 D CA 0.299 54.411 54.000 0.186 0.000 0.837 310 D CB 1.198 42.048 40.800 0.084 0.000 0.984 310 D HN 0.290 nan 8.370 nan 0.000 0.505 311 D N -0.425 120.083 120.400 0.180 0.000 2.829 311 D HA 0.306 4.944 4.640 -0.002 0.000 0.250 311 D C -0.225 176.189 176.300 0.190 0.000 1.304 311 D CA 0.273 54.373 54.000 0.165 0.000 1.197 311 D CB 1.166 42.067 40.800 0.168 0.000 1.501 311 D HN 0.087 nan 8.370 nan 0.000 0.424 312 I N 1.070 121.724 120.570 0.140 0.000 2.545 312 I HA 0.677 4.846 4.170 -0.002 0.000 0.292 312 I C -0.888 175.293 176.117 0.106 0.000 1.040 312 I CA -1.074 60.305 61.300 0.131 0.000 1.068 312 I CB 2.284 40.310 38.000 0.043 0.000 1.251 312 I HN 0.020 nan 8.210 nan 0.000 0.424 313 A N 5.484 128.424 122.820 0.201 0.000 2.356 313 A HA 0.716 5.035 4.320 -0.002 0.000 0.310 313 A C -1.838 176.002 177.584 0.427 0.000 1.075 313 A CA -0.395 51.773 52.037 0.219 0.000 0.746 313 A CB 0.834 19.970 19.000 0.226 0.000 1.221 313 A HN 0.601 nan 8.150 nan 0.000 0.443 314 W N 2.191 123.599 121.300 0.180 0.000 2.349 314 W HA 0.651 5.309 4.660 -0.003 0.000 0.309 314 W C -0.224 176.380 176.519 0.141 0.000 1.083 314 W CA -1.111 56.378 57.345 0.239 0.000 1.224 314 W CB 0.938 30.503 29.460 0.174 0.000 1.256 314 W HN 0.482 nan 8.180 nan 0.000 0.461 315 M N 3.818 123.651 119.600 0.390 0.000 2.259 315 M HA 0.373 4.851 4.480 -0.002 0.000 0.304 315 M C -0.257 176.086 176.300 0.071 0.000 1.019 315 M CA -0.618 54.767 55.300 0.141 0.000 0.922 315 M CB 2.733 35.365 32.600 0.055 0.000 1.600 315 M HN 0.235 nan 8.290 nan 0.000 0.433 316 K N 3.460 123.822 120.400 -0.064 0.000 2.535 316 K HA 0.458 4.777 4.320 -0.002 0.000 0.251 316 K C -1.659 174.844 176.600 -0.161 0.000 0.942 316 K CA -0.486 55.746 56.287 -0.092 0.000 0.798 316 K CB 1.759 34.199 32.500 -0.101 0.000 1.267 316 K HN 0.554 nan 8.250 nan 0.000 0.434 317 F N 3.498 123.373 119.950 -0.126 0.000 2.578 317 F HA -0.061 4.464 4.527 -0.002 0.000 0.376 317 F C 1.380 177.132 175.800 -0.080 0.000 1.085 317 F CA 0.284 58.169 58.000 -0.193 0.000 1.260 317 F CB 0.477 39.162 39.000 -0.525 0.000 1.095 317 F HN 0.639 nan 8.300 nan 0.000 0.573 318 D N 2.448 122.954 120.400 0.177 0.000 2.478 318 D HA 0.285 4.924 4.640 -0.002 0.000 0.269 318 D C 0.953 177.328 176.300 0.124 0.000 1.232 318 D CA -0.274 53.800 54.000 0.124 0.000 1.059 318 D CB 0.365 41.231 40.800 0.110 0.000 1.104 318 D HN 0.448 nan 8.370 nan 0.000 0.566 319 A N -0.810 122.062 122.820 0.087 0.000 2.070 319 A HA -0.188 4.130 4.320 -0.002 0.000 0.220 319 A C 1.764 179.372 177.584 0.040 0.000 1.159 319 A CA 1.382 53.455 52.037 0.061 0.000 0.656 319 A CB -0.667 18.356 19.000 0.040 0.000 0.800 319 A HN 0.462 nan 8.150 nan 0.000 0.453 320 Q N -1.432 118.401 119.800 0.056 0.000 2.280 320 Q HA 0.356 4.694 4.340 -0.002 0.000 0.202 320 Q C 1.058 176.962 176.000 -0.160 0.000 0.903 320 Q CA 0.665 56.464 55.803 -0.007 0.000 0.948 320 Q CB 0.107 28.903 28.738 0.097 0.000 1.058 320 Q HN 0.835 nan 8.270 nan 0.000 0.493 321 G N 0.253 109.006 108.800 -0.078 0.000 2.153 321 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.252 321 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.252 321 G C -0.267 174.626 174.900 -0.011 0.000 0.994 321 G CA -0.099 44.926 45.100 -0.125 0.000 0.698 321 G HN 0.432 nan 8.290 nan 0.000 0.521 322 H N -0.771 118.402 119.070 0.171 0.000 2.610 322 H HA 0.371 4.925 4.556 -0.003 0.000 0.336 322 H C 0.293 175.683 175.328 0.103 0.000 1.087 322 H CA -0.594 55.534 56.048 0.134 0.000 1.405 322 H CB 1.617 31.417 29.762 0.064 0.000 1.460 322 H HN 0.111 nan 8.280 nan 0.000 0.538 323 L N 4.897 126.167 121.223 0.080 0.000 2.385 323 L HA 0.075 4.414 4.340 -0.002 0.000 0.281 323 L C 0.396 177.235 176.870 -0.052 0.000 1.106 323 L CA 0.162 54.886 54.840 -0.194 0.000 0.856 323 L CB -0.194 41.684 42.059 -0.302 0.000 1.186 323 L HN 0.378 nan 8.230 nan 0.000 0.453 324 R N 4.040 124.504 120.500 -0.060 0.000 2.368 324 R HA 0.704 5.043 4.340 -0.002 0.000 0.302 324 R C -0.624 175.659 176.300 -0.028 0.000 1.002 324 R CA -0.549 55.528 56.100 -0.038 0.000 0.929 324 R CB 1.511 31.792 30.300 -0.032 0.000 1.073 324 R HN 0.671 nan 8.270 nan 0.000 0.464 325 A N 4.130 126.935 122.820 -0.025 0.000 2.318 325 A HA 0.632 4.950 4.320 -0.002 0.000 0.324 325 A C -0.071 177.519 177.584 0.010 0.000 1.170 325 A CA -0.830 51.225 52.037 0.030 0.000 0.810 325 A CB 0.677 19.711 19.000 0.058 0.000 1.198 325 A HN 0.794 nan 8.150 nan 0.000 0.484 326 I N 0.178 120.783 120.570 0.059 0.000 2.530 326 I HA 0.583 4.752 4.170 -0.002 0.000 0.297 326 I C -0.441 175.667 176.117 -0.015 0.000 1.011 326 I CA -0.852 60.455 61.300 0.012 0.000 1.107 326 I CB 2.030 40.026 38.000 -0.008 0.000 1.285 326 I HN 0.485 nan 8.210 nan 0.000 0.436 327 N N 7.498 126.193 118.700 -0.008 0.000 2.401 327 N HA 0.353 5.092 4.740 -0.002 0.000 0.255 327 N C -1.760 173.649 175.510 -0.169 0.000 1.110 327 N CA -2.536 50.498 53.050 -0.026 0.000 0.949 327 N CB 0.917 39.492 38.487 0.146 0.000 1.110 327 N HN 0.485 nan 8.380 nan 0.000 0.490 328 P HA -0.011 nan 4.420 nan 0.000 0.237 328 P C -0.418 176.722 177.300 -0.267 0.000 1.178 328 P CA 0.771 63.502 63.100 -0.616 0.000 0.766 328 P CB 0.496 31.328 31.700 -1.446 0.000 0.876 329 E N -0.114 120.003 120.200 -0.138 0.000 2.280 329 E HA 0.183 4.532 4.350 -0.002 0.000 0.261 329 E C 0.189 176.822 176.600 0.054 0.000 1.088 329 E CA -0.478 55.890 56.400 -0.053 0.000 0.915 329 E CB 0.433 30.096 29.700 -0.062 0.000 1.141 329 E HN -0.155 nan 8.360 nan 0.000 0.433 330 N N -0.751 117.961 118.700 0.020 0.000 2.177 330 N HA 0.191 4.930 4.740 -0.002 0.000 0.218 330 N C -0.720 174.719 175.510 -0.118 0.000 1.182 330 N CA 0.002 53.114 53.050 0.105 0.000 0.882 330 N CB 1.160 39.690 38.487 0.071 0.000 1.052 330 N HN 0.506 nan 8.380 nan 0.000 0.519 331 G N -1.149 107.463 108.800 -0.312 0.000 2.548 331 G HA2 0.461 4.420 3.960 -0.002 0.000 0.301 331 G HA3 0.461 4.420 3.960 -0.002 0.000 0.301 331 G C -1.800 172.728 174.900 -0.620 0.000 1.349 331 G CA -0.742 44.046 45.100 -0.521 0.000 0.792 331 G HN 0.022 nan 8.290 nan 0.000 0.481 332 F N -0.106 119.862 119.950 0.029 0.000 2.467 332 F HA 0.542 5.067 4.527 -0.003 0.000 0.336 332 F C -0.643 175.183 175.800 0.043 0.000 1.123 332 F CA -0.701 57.332 58.000 0.055 0.000 0.964 332 F CB 2.463 41.531 39.000 0.113 0.000 1.136 332 F HN 0.308 nan 8.300 nan 0.000 0.447 333 F N 3.236 123.172 119.950 -0.023 0.000 2.344 333 F HA 0.617 5.143 4.527 -0.003 0.000 0.344 333 F C 0.358 175.934 175.800 -0.372 0.000 1.140 333 F CA -0.805 57.073 58.000 -0.203 0.000 1.256 333 F CB 0.034 38.944 39.000 -0.150 0.000 1.573 333 F HN 0.463 nan 8.300 nan 0.000 0.547 334 G N 2.624 110.783 108.800 -1.068 0.000 2.389 334 G HA2 0.459 4.418 3.960 -0.002 0.000 0.317 334 G HA3 0.459 4.418 3.960 -0.002 0.000 0.317 334 G C -0.933 173.232 174.900 -1.224 0.000 1.137 334 G CA -0.650 43.725 45.100 -1.208 0.000 0.870 334 G HN 0.252 nan 8.290 nan 0.000 0.496 335 V N 1.751 121.298 119.914 -0.611 0.000 2.529 335 V HA 0.233 4.352 4.120 -0.002 0.000 0.292 335 V C 1.453 177.290 176.094 -0.429 0.000 1.028 335 V CA 0.717 62.757 62.300 -0.433 0.000 1.074 335 V CB 0.790 32.475 31.823 -0.229 0.000 0.958 335 V HN 0.985 nan 8.190 nan 0.000 0.481 336 A N 7.843 130.365 122.820 -0.498 0.000 1.855 336 A HA 0.192 4.511 4.320 -0.002 0.000 0.213 336 A C -1.365 175.558 177.584 -1.101 0.000 1.195 336 A CA 0.555 52.122 52.037 -0.783 0.000 0.610 336 A CB -1.042 17.430 19.000 -0.878 0.000 0.837 336 A HN 0.717 nan 8.150 nan 0.000 0.444 337 P HA 0.280 nan 4.420 nan 0.000 0.266 337 P C 0.806 178.004 177.300 -0.168 0.000 1.195 337 P CA 1.790 64.678 63.100 -0.353 0.000 0.768 337 P CB 0.514 32.117 31.700 -0.162 0.000 0.838 338 G N 1.333 110.157 108.800 0.040 0.000 2.199 338 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.254 338 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.254 338 G C 0.206 175.162 174.900 0.094 0.000 0.982 338 G CA 0.107 45.249 45.100 0.070 0.000 0.632 338 G HN 0.599 nan 8.290 nan 0.000 0.529 339 T N 1.719 116.358 114.554 0.142 0.000 2.780 339 T HA 0.630 4.978 4.350 -0.002 0.000 0.294 339 T C 0.385 175.276 174.700 0.319 0.000 0.949 339 T CA 0.622 62.841 62.100 0.198 0.000 1.074 339 T CB 1.499 70.443 68.868 0.127 0.000 0.910 339 T HN 1.332 nan 8.240 nan 0.000 0.501 340 S N 1.398 117.152 115.700 0.090 0.000 2.688 340 S HA 0.441 4.910 4.470 -0.002 0.000 0.275 340 S C 1.019 175.584 174.600 -0.058 0.000 1.175 340 S CA -0.866 57.332 58.200 -0.003 0.000 0.818 340 S CB 0.720 63.876 63.200 -0.074 0.000 1.157 340 S HN 0.198 nan 8.310 nan 0.000 0.482 341 V N 1.622 121.486 119.914 -0.083 0.000 2.392 341 V HA -0.159 3.960 4.120 -0.002 0.000 0.249 341 V C 2.485 178.507 176.094 -0.121 0.000 1.059 341 V CA 2.153 64.399 62.300 -0.090 0.000 1.051 341 V CB -1.108 30.665 31.823 -0.083 0.000 0.658 341 V HN 0.830 nan 8.190 nan 0.000 0.455 342 K N 0.423 120.727 120.400 -0.161 0.000 2.007 342 K HA -0.116 4.203 4.320 -0.002 0.000 0.206 342 K C 2.339 178.743 176.600 -0.327 0.000 1.047 342 K CA 1.860 58.008 56.287 -0.233 0.000 0.937 342 K CB -0.500 31.840 32.500 -0.266 0.000 0.718 342 K HN 0.672 nan 8.250 nan 0.000 0.438 343 T N -1.329 112.995 114.554 -0.384 0.000 2.951 343 T HA -0.046 4.302 4.350 -0.002 0.000 0.268 343 T C 0.844 175.490 174.700 -0.091 0.000 1.073 343 T CA 0.736 62.567 62.100 -0.448 0.000 1.134 343 T CB 0.069 68.712 68.868 -0.375 0.000 0.884 343 T HN -0.038 nan 8.240 nan 0.000 0.479 344 N N 1.010 119.659 118.700 -0.085 0.000 2.884 344 N HA 0.226 4.965 4.740 -0.002 0.000 0.211 344 N C -2.642 172.823 175.510 -0.074 0.000 1.442 344 N CA -1.363 51.654 53.050 -0.054 0.000 0.757 344 N CB 1.616 40.086 38.487 -0.029 0.000 1.461 344 N HN 0.021 nan 8.380 nan 0.000 0.557 345 P HA -0.062 nan 4.420 nan 0.000 0.218 345 P C 0.832 178.085 177.300 -0.078 0.000 1.149 345 P CA 1.025 64.079 63.100 -0.076 0.000 0.817 345 P CB 0.600 32.258 31.700 -0.070 0.000 0.785 346 N N 0.286 118.935 118.700 -0.085 0.000 2.216 346 N HA -0.069 4.670 4.740 -0.002 0.000 0.183 346 N C 1.921 177.352 175.510 -0.131 0.000 1.017 346 N CA 1.386 54.379 53.050 -0.095 0.000 0.861 346 N CB -0.801 37.629 38.487 -0.094 0.000 0.986 346 N HN 0.101 nan 8.380 nan 0.000 0.428 347 A N 1.855 124.580 122.820 -0.159 0.000 1.902 347 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 347 A C 2.204 179.633 177.584 -0.259 0.000 1.181 347 A CA 0.826 52.719 52.037 -0.240 0.000 0.623 347 A CB -0.434 18.430 19.000 -0.227 0.000 0.818 347 A HN 0.105 nan 8.150 nan 0.000 0.443 348 I N -0.097 120.378 120.570 -0.157 0.000 2.179 348 I HA -0.241 3.928 4.170 -0.002 0.000 0.242 348 I C 2.249 178.303 176.117 -0.105 0.000 1.088 348 I CA 1.787 63.019 61.300 -0.113 0.000 1.357 348 I CB -1.034 36.927 38.000 -0.064 0.000 1.051 348 I HN 0.394 nan 8.210 nan 0.000 0.409 349 K N 0.103 120.451 120.400 -0.087 0.000 2.097 349 K HA -0.115 4.203 4.320 -0.002 0.000 0.206 349 K C 2.024 178.583 176.600 -0.068 0.000 1.049 349 K CA 1.636 57.885 56.287 -0.063 0.000 0.933 349 K CB -0.274 32.198 32.500 -0.046 0.000 0.717 349 K HN 0.287 nan 8.250 nan 0.000 0.442 350 T N 2.241 116.737 114.554 -0.095 0.000 2.684 350 T HA -0.120 4.229 4.350 -0.002 0.000 0.267 350 T C 1.770 176.411 174.700 -0.099 0.000 1.036 350 T CA 1.518 63.573 62.100 -0.075 0.000 1.148 350 T CB -0.279 68.552 68.868 -0.062 0.000 0.863 350 T HN 0.410 nan 8.240 nan 0.000 0.436 351 I N -0.590 119.870 120.570 -0.184 0.000 3.646 351 I HA 0.134 4.302 4.170 -0.002 0.000 0.301 351 I C 1.780 177.837 176.117 -0.100 0.000 1.276 351 I CA 0.308 61.495 61.300 -0.189 0.000 1.254 351 I CB -0.319 37.479 38.000 -0.337 0.000 1.020 351 I HN -0.054 nan 8.210 nan 0.000 0.473 352 Q N 2.933 122.680 119.800 -0.088 0.000 2.291 352 Q HA -0.023 4.316 4.340 -0.002 0.000 0.206 352 Q C 0.258 176.258 176.000 -0.001 0.000 0.976 352 Q CA 1.136 56.898 55.803 -0.069 0.000 0.875 352 Q CB -0.129 28.608 28.738 -0.002 0.000 0.927 352 Q HN 0.802 nan 8.270 nan 0.000 0.450 353 K N -1.510 118.901 120.400 0.019 0.000 2.556 353 K HA 0.319 4.638 4.320 -0.002 0.000 0.274 353 K C -0.605 176.039 176.600 0.073 0.000 0.966 353 K CA -0.827 55.504 56.287 0.073 0.000 0.865 353 K CB 0.977 33.521 32.500 0.074 0.000 1.444 353 K HN -0.251 nan 8.250 nan 0.000 0.433 354 N N 0.067 118.841 118.700 0.122 0.000 2.727 354 N HA -0.135 4.604 4.740 -0.002 0.000 0.249 354 N C -1.267 174.302 175.510 0.097 0.000 1.048 354 N CA 1.469 54.599 53.050 0.133 0.000 0.714 354 N CB -1.235 37.306 38.487 0.090 0.000 0.959 354 N HN 0.748 nan 8.380 nan 0.000 0.544 355 T N 0.748 115.367 114.554 0.109 0.000 2.861 355 T HA 0.613 4.961 4.350 -0.002 0.000 0.287 355 T C 0.672 175.383 174.700 0.019 0.000 1.003 355 T CA -0.498 61.573 62.100 -0.048 0.000 0.977 355 T CB 1.867 70.576 68.868 -0.266 0.000 0.996 355 T HN 0.070 nan 8.240 nan 0.000 0.448 356 I N 3.441 123.991 120.570 -0.034 0.000 2.331 356 I HA 0.429 4.598 4.170 -0.002 0.000 0.292 356 I C -0.751 175.348 176.117 -0.030 0.000 0.998 356 I CA -0.546 60.818 61.300 0.106 0.000 1.267 356 I CB 0.692 38.756 38.000 0.106 0.000 1.386 356 I HN 0.486 nan 8.210 nan 0.000 0.476 357 F N 3.291 123.391 119.950 0.250 0.000 2.458 357 F HA 0.521 5.046 4.527 -0.002 0.000 0.330 357 F C 0.381 176.308 175.800 0.212 0.000 1.082 357 F CA -0.497 57.628 58.000 0.208 0.000 0.995 357 F CB 2.052 41.190 39.000 0.230 0.000 1.170 357 F HN 0.230 nan 8.300 nan 0.000 0.478 358 T N 2.698 117.436 114.554 0.306 0.000 2.890 358 T HA 0.261 4.610 4.350 -0.002 0.000 0.295 358 T C -0.454 174.306 174.700 0.099 0.000 0.993 358 T CA -0.802 61.417 62.100 0.200 0.000 0.979 358 T CB 0.801 69.788 68.868 0.198 0.000 0.967 358 T HN 0.622 nan 8.240 nan 0.000 0.441 359 N N 0.311 119.077 118.700 0.109 0.000 2.829 359 N HA -0.134 4.604 4.740 -0.002 0.000 0.250 359 N C 0.137 175.713 175.510 0.110 0.000 1.090 359 N CA 1.090 54.202 53.050 0.104 0.000 0.781 359 N CB -1.733 36.672 38.487 -0.136 0.000 1.124 359 N HN 0.693 nan 8.380 nan 0.000 0.559 360 V N -2.837 117.192 119.914 0.192 0.000 3.134 360 V HA 0.917 5.036 4.120 -0.002 0.000 0.313 360 V C 1.008 177.240 176.094 0.229 0.000 1.069 360 V CA -0.390 62.047 62.300 0.228 0.000 1.048 360 V CB 1.583 33.623 31.823 0.362 0.000 1.119 360 V HN 0.276 nan 8.190 nan 0.000 0.461 361 A N 0.937 123.867 122.820 0.183 0.000 2.287 361 A HA 0.635 4.954 4.320 -0.002 0.000 0.273 361 A C 0.036 177.670 177.584 0.083 0.000 1.091 361 A CA -0.427 51.675 52.037 0.108 0.000 0.817 361 A CB 0.553 19.551 19.000 -0.003 0.000 1.069 361 A HN 1.067 nan 8.150 nan 0.000 0.492 362 E N 0.168 120.394 120.200 0.045 0.000 2.224 362 E HA 0.446 4.794 4.350 -0.002 0.000 0.265 362 E C -0.271 176.311 176.600 -0.030 0.000 0.878 362 E CA -0.563 55.845 56.400 0.014 0.000 0.759 362 E CB 1.259 30.976 29.700 0.027 0.000 1.164 362 E HN 0.802 nan 8.360 nan 0.000 0.414 363 T N 0.846 115.362 114.554 -0.063 0.000 2.813 363 T HA 0.058 4.407 4.350 -0.002 0.000 0.297 363 T C 1.376 176.025 174.700 -0.086 0.000 1.036 363 T CA 0.008 62.042 62.100 -0.110 0.000 1.044 363 T CB 1.327 70.112 68.868 -0.139 0.000 0.993 363 T HN 0.466 nan 8.240 nan 0.000 0.535 364 S N 0.085 115.734 115.700 -0.086 0.000 2.447 364 S HA -0.119 4.349 4.470 -0.002 0.000 0.233 364 S C 1.162 175.714 174.600 -0.080 0.000 1.006 364 S CA 0.750 58.909 58.200 -0.068 0.000 0.957 364 S CB -0.680 62.486 63.200 -0.057 0.000 0.773 364 S HN 0.910 nan 8.310 nan 0.000 0.507 365 D N 0.802 121.141 120.400 -0.102 0.000 2.325 365 D HA 0.281 4.920 4.640 -0.002 0.000 0.234 365 D C 1.196 177.399 176.300 -0.161 0.000 1.122 365 D CA 0.327 54.254 54.000 -0.122 0.000 0.850 365 D CB -0.857 39.867 40.800 -0.127 0.000 0.921 365 D HN 0.525 nan 8.370 nan 0.000 0.513 366 G N -0.901 107.815 108.800 -0.141 0.000 2.176 366 G HA2 -0.111 3.847 3.960 -0.002 0.000 0.252 366 G HA3 -0.111 3.847 3.960 -0.002 0.000 0.252 366 G C 0.520 175.278 174.900 -0.237 0.000 1.024 366 G CA -0.063 44.942 45.100 -0.158 0.000 0.755 366 G HN 0.799 nan 8.290 nan 0.000 0.507 367 G N -1.573 107.103 108.800 -0.208 0.000 2.531 367 G HA2 0.873 4.832 3.960 -0.002 0.000 0.313 367 G HA3 0.873 4.832 3.960 -0.002 0.000 0.313 367 G C 0.370 175.273 174.900 0.005 0.000 1.238 367 G CA 0.101 45.105 45.100 -0.160 0.000 0.994 367 G HN 1.509 nan 8.290 nan 0.000 0.493 368 V N -2.607 117.330 119.914 0.039 0.000 2.837 368 V HA 0.808 4.926 4.120 -0.002 0.000 0.310 368 V C -0.921 175.060 176.094 -0.189 0.000 1.059 368 V CA -1.113 61.096 62.300 -0.152 0.000 1.004 368 V CB 1.468 33.030 31.823 -0.435 0.000 1.045 368 V HN 0.643 nan 8.190 nan 0.000 0.465 369 Y N 2.060 122.155 120.300 -0.342 0.000 2.544 369 Y HA 0.769 5.317 4.550 -0.002 0.000 0.342 369 Y C -1.144 174.623 175.900 -0.222 0.000 1.062 369 Y CA -0.927 56.901 58.100 -0.453 0.000 1.023 369 Y CB 2.213 40.501 38.460 -0.288 0.000 1.308 369 Y HN 1.086 nan 8.280 nan 0.000 0.457 370 W N 0.931 122.021 121.300 -0.349 0.000 3.005 370 W HA 0.633 5.292 4.660 -0.002 0.000 0.343 370 W C -1.450 174.896 176.519 -0.289 0.000 1.243 370 W CA -1.157 56.043 57.345 -0.240 0.000 1.186 370 W CB 0.229 29.595 29.460 -0.156 0.000 1.453 370 W HN 0.331 nan 8.180 nan 0.000 0.575 371 E N 1.057 121.335 120.200 0.130 0.000 2.558 371 E HA 0.379 4.728 4.350 -0.002 0.000 0.255 371 E C 1.142 177.841 176.600 0.165 0.000 0.968 371 E CA 2.395 58.853 56.400 0.096 0.000 0.939 371 E CB 0.138 29.889 29.700 0.085 0.000 0.921 371 E HN 1.139 nan 8.360 nan 0.000 0.477 372 G N 3.216 112.051 108.800 0.058 0.000 2.159 372 G HA2 -0.341 3.617 3.960 -0.002 0.000 0.256 372 G HA3 -0.341 3.617 3.960 -0.002 0.000 0.256 372 G C 0.878 175.785 174.900 0.013 0.000 0.977 372 G CA 0.272 45.403 45.100 0.051 0.000 0.652 372 G HN 0.631 nan 8.290 nan 0.000 0.531 373 I N 0.218 120.684 120.570 -0.174 0.000 2.454 373 I HA -0.001 4.168 4.170 -0.002 0.000 0.254 373 I C 1.365 177.298 176.117 -0.307 0.000 1.156 373 I CA 1.851 62.894 61.300 -0.429 0.000 1.433 373 I CB -0.027 37.202 38.000 -1.286 0.000 1.082 373 I HN 0.302 nan 8.210 nan 0.000 0.432 374 D N 2.237 122.494 120.400 -0.238 0.000 2.723 374 D HA -0.244 4.395 4.640 -0.002 0.000 0.236 374 D C -0.292 175.936 176.300 -0.120 0.000 1.138 374 D CA 0.784 54.705 54.000 -0.131 0.000 0.676 374 D CB -1.119 39.617 40.800 -0.108 0.000 1.069 374 D HN 0.597 nan 8.370 nan 0.000 0.430 375 E N 0.347 120.468 120.200 -0.131 0.000 2.331 375 E HA 0.348 4.696 4.350 -0.002 0.000 0.243 375 E C -2.344 174.303 176.600 0.078 0.000 0.925 375 E CA -1.852 54.515 56.400 -0.055 0.000 0.760 375 E CB 1.127 30.762 29.700 -0.109 0.000 1.254 375 E HN 0.126 nan 8.360 nan 0.000 0.419 376 P HA -0.083 nan 4.420 nan 0.000 0.261 376 P C -0.587 176.738 177.300 0.043 0.000 1.173 376 P CA 0.389 63.523 63.100 0.056 0.000 0.760 376 P CB 0.445 32.155 31.700 0.017 0.000 0.783 377 L N 2.038 123.272 121.223 0.018 0.000 2.426 377 L HA 0.298 4.637 4.340 -0.002 0.000 0.271 377 L C 1.194 178.041 176.870 -0.039 0.000 1.169 377 L CA -0.540 54.273 54.840 -0.045 0.000 0.836 377 L CB 0.233 42.219 42.059 -0.120 0.000 1.112 377 L HN 0.434 nan 8.230 nan 0.000 0.465 378 A N 2.137 124.928 122.820 -0.048 0.000 2.346 378 A HA 0.284 4.603 4.320 -0.002 0.000 0.255 378 A C 0.431 177.988 177.584 -0.045 0.000 1.113 378 A CA -0.202 51.809 52.037 -0.043 0.000 0.798 378 A CB 0.110 19.081 19.000 -0.048 0.000 1.073 378 A HN 0.778 nan 8.150 nan 0.000 0.502 379 S N -0.364 115.313 115.700 -0.039 0.000 2.498 379 S HA 0.444 4.912 4.470 -0.002 0.000 0.281 379 S C 1.120 175.696 174.600 -0.040 0.000 1.265 379 S CA 0.161 58.339 58.200 -0.036 0.000 1.071 379 S CB 0.228 63.410 63.200 -0.030 0.000 0.894 379 S HN 2.545 nan 8.310 nan 0.000 0.491 380 G N 1.864 110.640 108.800 -0.041 0.000 2.205 380 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.261 380 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.261 380 G C 0.143 175.013 174.900 -0.051 0.000 0.980 380 G CA -0.036 45.039 45.100 -0.042 0.000 0.632 380 G HN 1.142 nan 8.290 nan 0.000 0.533 381 V N 2.611 122.487 119.914 -0.063 0.000 2.585 381 V HA 0.496 4.614 4.120 -0.002 0.000 0.296 381 V C 1.125 177.165 176.094 -0.090 0.000 1.035 381 V CA 0.962 63.213 62.300 -0.082 0.000 1.084 381 V CB 0.889 32.652 31.823 -0.100 0.000 0.953 381 V HN 0.810 nan 8.190 nan 0.000 0.483 382 T N 3.240 117.744 114.554 -0.083 0.000 2.910 382 T HA 0.797 5.145 4.350 -0.002 0.000 0.287 382 T C -0.656 173.995 174.700 -0.082 0.000 1.050 382 T CA -0.830 61.229 62.100 -0.068 0.000 1.011 382 T CB 1.898 70.747 68.868 -0.032 0.000 1.195 382 T HN 0.284 nan 8.240 nan 0.000 0.540 383 I N 1.122 121.674 120.570 -0.030 0.000 2.433 383 I HA 0.379 4.547 4.170 -0.002 0.000 0.292 383 I C -0.156 176.003 176.117 0.070 0.000 1.001 383 I CA -0.750 60.536 61.300 -0.024 0.000 1.119 383 I CB 2.240 40.238 38.000 -0.004 0.000 1.289 383 I HN 0.665 nan 8.210 nan 0.000 0.438 384 T N 4.335 118.911 114.554 0.036 0.000 2.795 384 T HA 0.280 4.629 4.350 -0.002 0.000 0.282 384 T C 0.305 175.039 174.700 0.056 0.000 0.980 384 T CA -0.605 61.533 62.100 0.063 0.000 1.012 384 T CB 1.202 70.093 68.868 0.037 0.000 0.936 384 T HN 0.747 nan 8.240 nan 0.000 0.457 385 S N 3.615 119.363 115.700 0.081 0.000 2.617 385 S HA 0.130 4.598 4.470 -0.002 0.000 0.259 385 S C 1.517 176.165 174.600 0.081 0.000 1.301 385 S CA -0.903 57.325 58.200 0.047 0.000 0.984 385 S CB 0.350 63.599 63.200 0.082 0.000 0.954 385 S HN 0.925 nan 8.310 nan 0.000 0.572 386 W N 1.173 122.465 121.300 -0.013 0.000 2.525 386 W HA 0.060 4.718 4.660 -0.002 0.000 0.259 386 W C 0.496 177.021 176.519 0.011 0.000 1.253 386 W CA 0.699 58.049 57.345 0.008 0.000 1.262 386 W CB -0.716 28.755 29.460 0.018 0.000 1.122 386 W HN 0.764 nan 8.180 nan 0.000 0.607 387 K N 1.044 120.983 120.400 -0.768 0.000 2.500 387 K HA 0.026 4.345 4.320 -0.002 0.000 0.206 387 K C 0.129 176.570 176.600 -0.267 0.000 1.034 387 K CA -0.118 55.774 56.287 -0.658 0.000 1.179 387 K CB -0.790 31.223 32.500 -0.812 0.000 0.884 387 K HN -0.128 nan 8.250 nan 0.000 0.493 388 N N 1.841 120.460 118.700 -0.135 0.000 2.740 388 N HA -0.159 4.580 4.740 -0.002 0.000 0.248 388 N C -1.456 174.035 175.510 -0.032 0.000 1.062 388 N CA 0.858 53.880 53.050 -0.048 0.000 0.704 388 N CB -0.877 37.588 38.487 -0.035 0.000 0.968 388 N HN 0.463 nan 8.380 nan 0.000 0.547 389 K N 0.037 120.427 120.400 -0.017 0.000 2.318 389 K HA 0.313 4.632 4.320 -0.002 0.000 0.249 389 K C -0.193 176.455 176.600 0.081 0.000 0.942 389 K CA -0.901 55.399 56.287 0.021 0.000 0.808 389 K CB 1.509 34.019 32.500 0.017 0.000 1.189 389 K HN 0.139 nan 8.250 nan 0.000 0.428 390 E N 1.298 121.540 120.200 0.070 0.000 2.452 390 E HA -0.030 4.318 4.350 -0.002 0.000 0.261 390 E C -1.569 175.133 176.600 0.168 0.000 0.987 390 E CA 0.433 56.890 56.400 0.096 0.000 0.926 390 E CB 0.454 30.179 29.700 0.041 0.000 0.934 390 E HN 0.394 nan 8.360 nan 0.000 0.452 391 W N 3.855 125.146 121.300 -0.016 0.000 3.022 391 W HA 0.513 5.172 4.660 -0.002 0.000 0.335 391 W C -1.182 175.330 176.519 -0.011 0.000 1.133 391 W CA -0.358 56.987 57.345 -0.000 0.000 1.219 391 W CB 1.315 30.793 29.460 0.029 0.000 1.409 391 W HN 0.637 nan 8.180 nan 0.000 0.507 392 S N 1.327 116.581 115.700 -0.742 0.000 2.667 392 S HA 0.439 4.908 4.470 -0.002 0.000 0.292 392 S C 0.290 173.933 174.600 -1.595 0.000 1.126 392 S CA -0.210 57.523 58.200 -0.779 0.000 0.881 392 S CB 1.505 64.463 63.200 -0.403 0.000 1.132 392 S HN 0.574 nan 8.310 nan 0.000 0.492 393 S N 0.131 115.268 115.700 -0.937 0.000 2.547 393 S HA -0.044 4.424 4.470 -0.002 0.000 0.235 393 S C 0.877 175.241 174.600 -0.394 0.000 0.980 393 S CA 0.791 58.616 58.200 -0.625 0.000 0.941 393 S CB -0.794 62.320 63.200 -0.143 0.000 0.763 393 S HN 0.873 nan 8.310 nan 0.000 0.532 394 E N 1.040 121.006 120.200 -0.390 0.000 2.479 394 E HA 0.114 4.462 4.350 -0.002 0.000 0.193 394 E C 0.370 176.836 176.600 -0.224 0.000 1.049 394 E CA 0.114 56.375 56.400 -0.231 0.000 0.870 394 E CB -0.140 29.459 29.700 -0.168 0.000 0.944 394 E HN 0.248 nan 8.360 nan 0.000 0.492 395 D N 1.383 121.574 120.400 -0.348 0.000 2.224 395 D HA -0.004 4.635 4.640 -0.002 0.000 0.205 395 D C 1.227 177.480 176.300 -0.079 0.000 0.965 395 D CA 1.311 55.170 54.000 -0.235 0.000 0.852 395 D CB -0.131 40.461 40.800 -0.347 0.000 0.947 395 D HN 0.352 nan 8.370 nan 0.000 0.494 396 G N 0.823 109.597 108.800 -0.043 0.000 2.289 396 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.280 396 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.280 396 G C -0.083 174.884 174.900 0.111 0.000 1.089 396 G CA 0.384 45.506 45.100 0.037 0.000 0.939 396 G HN 0.364 nan 8.290 nan 0.000 0.499 397 E N -0.457 119.870 120.200 0.212 0.000 2.649 397 E HA 0.295 4.644 4.350 -0.002 0.000 0.308 397 E C -2.829 174.097 176.600 0.544 0.000 1.017 397 E CA -1.495 55.093 56.400 0.313 0.000 0.848 397 E CB 2.282 32.159 29.700 0.296 0.000 1.240 397 E HN 0.118 nan 8.360 nan 0.000 0.421 398 P HA 0.033 nan 4.420 nan 0.000 0.271 398 P C 1.106 178.504 177.300 0.163 0.000 1.218 398 P CA -0.240 63.040 63.100 0.299 0.000 0.780 398 P CB 0.659 32.427 31.700 0.114 0.000 0.901 399 C N 0.936 119.963 119.300 -0.455 0.000 2.446 399 C HA 0.371 4.829 4.460 -0.002 0.000 0.279 399 C C 1.124 176.065 174.990 -0.083 0.000 1.366 399 C CA 0.387 58.869 59.018 -0.893 0.000 1.763 399 C CB -1.433 25.354 27.740 -1.588 0.000 1.929 399 C HN 0.625 nan 8.230 nan 0.000 0.509 400 A N 0.128 122.915 122.820 -0.055 0.000 2.350 400 A HA 0.553 4.871 4.320 -0.002 0.000 0.324 400 A C -0.279 177.076 177.584 -0.382 0.000 1.118 400 A CA -0.352 51.634 52.037 -0.085 0.000 0.783 400 A CB 0.076 19.092 19.000 0.027 0.000 1.236 400 A HN 0.596 nan 8.150 nan 0.000 0.457 401 H N 2.549 120.979 119.070 -1.067 0.000 2.972 401 H HA 0.051 4.606 4.556 -0.003 0.000 0.343 401 H C -1.687 173.334 175.328 -0.511 0.000 1.054 401 H CA -0.584 54.809 56.048 -1.091 0.000 1.412 401 H CB 1.162 29.939 29.762 -1.643 0.000 1.385 401 H HN 0.296 nan 8.280 nan 0.000 0.600 402 P HA -0.119 nan 4.420 nan 0.000 0.219 402 P C 0.761 177.910 177.300 -0.250 0.000 1.146 402 P CA 1.369 64.221 63.100 -0.413 0.000 0.808 402 P CB 0.278 31.733 31.700 -0.409 0.000 0.779 403 N N -1.027 117.606 118.700 -0.111 0.000 2.235 403 N HA 0.012 4.750 4.740 -0.002 0.000 0.209 403 N C -0.294 175.190 175.510 -0.043 0.000 1.122 403 N CA -0.172 52.871 53.050 -0.012 0.000 0.845 403 N CB -0.232 38.273 38.487 0.030 0.000 1.004 403 N HN -0.009 nan 8.380 nan 0.000 0.499 404 S N -0.226 115.407 115.700 -0.111 0.000 2.576 404 S HA 0.310 4.778 4.470 -0.002 0.000 0.272 404 S C 0.110 174.564 174.600 -0.244 0.000 1.352 404 S CA -0.315 57.790 58.200 -0.159 0.000 1.021 404 S CB 1.133 64.239 63.200 -0.155 0.000 0.887 404 S HN 0.113 nan 8.310 nan 0.000 0.542 405 R N 0.518 120.871 120.500 -0.246 0.000 2.740 405 R HA 0.496 4.834 4.340 -0.002 0.000 0.273 405 R C -1.193 174.909 176.300 -0.330 0.000 0.998 405 R CA -0.644 55.148 56.100 -0.513 0.000 0.900 405 R CB 1.449 31.214 30.300 -0.892 0.000 1.223 405 R HN 0.793 nan 8.270 nan 0.000 0.466 406 F N -1.240 118.455 119.950 -0.426 0.000 2.492 406 F HA 0.699 5.225 4.527 -0.003 0.000 0.327 406 F C -0.246 175.303 175.800 -0.417 0.000 1.079 406 F CA -1.442 56.257 58.000 -0.501 0.000 0.967 406 F CB 1.327 39.995 39.000 -0.554 0.000 1.169 406 F HN 0.353 nan 8.300 nan 0.000 0.472 407 C N 3.264 122.491 119.300 -0.122 0.000 2.407 407 C HA 0.760 5.219 4.460 -0.002 0.000 0.328 407 C C -0.689 174.312 174.990 0.018 0.000 1.137 407 C CA 0.104 59.129 59.018 0.011 0.000 1.390 407 C CB -0.183 27.605 27.740 0.079 0.000 1.989 407 C HN 1.103 nan 8.230 nan 0.000 0.432 408 T N 6.785 121.398 114.554 0.098 0.000 2.912 408 T HA 0.621 4.969 4.350 -0.002 0.000 0.299 408 T C -2.984 171.714 174.700 -0.003 0.000 1.052 408 T CA -1.010 61.126 62.100 0.060 0.000 0.996 408 T CB 1.861 70.791 68.868 0.104 0.000 1.070 408 T HN 0.475 nan 8.240 nan 0.000 0.465 409 P HA 0.234 nan 4.420 nan 0.000 0.267 409 P C 0.115 177.286 177.300 -0.216 0.000 1.205 409 P CA -0.087 62.949 63.100 -0.106 0.000 0.765 409 P CB 0.543 32.220 31.700 -0.038 0.000 0.828 410 A N 3.462 125.984 122.820 -0.496 0.000 1.969 410 A HA -0.158 4.161 4.320 -0.002 0.000 0.218 410 A C 2.121 179.368 177.584 -0.563 0.000 1.169 410 A CA 1.960 53.474 52.037 -0.872 0.000 0.635 410 A CB -1.517 16.631 19.000 -1.421 0.000 0.810 410 A HN 0.578 nan 8.150 nan 0.000 0.445 411 S N -0.611 114.892 115.700 -0.329 0.000 2.469 411 S HA -0.219 4.250 4.470 -0.002 0.000 0.238 411 S C 1.686 176.257 174.600 -0.048 0.000 0.998 411 S CA 1.471 59.616 58.200 -0.093 0.000 0.957 411 S CB -0.417 62.853 63.200 0.118 0.000 0.764 411 S HN 0.688 nan 8.310 nan 0.000 0.514 412 Q N -0.264 119.508 119.800 -0.046 0.000 2.424 412 Q HA 0.193 4.532 4.340 -0.002 0.000 0.204 412 Q C 0.618 176.619 176.000 0.003 0.000 0.933 412 Q CA 0.015 55.815 55.803 -0.005 0.000 0.929 412 Q CB 0.085 28.825 28.738 0.003 0.000 1.037 412 Q HN 0.673 nan 8.270 nan 0.000 0.511 413 C N 2.796 122.106 119.300 0.017 0.000 2.651 413 C HA 0.112 4.571 4.460 -0.002 0.000 0.410 413 C C -0.997 173.986 174.990 -0.011 0.000 1.372 413 C CA -1.710 57.323 59.018 0.024 0.000 1.707 413 C CB 0.409 28.212 27.740 0.105 0.000 2.501 413 C HN 0.352 nan 8.230 nan 0.000 0.598 414 P HA -0.073 nan 4.420 nan 0.000 0.225 414 P C 0.534 177.833 177.300 -0.001 0.000 1.148 414 P CA 1.468 64.564 63.100 -0.007 0.000 0.779 414 P CB -0.191 31.500 31.700 -0.014 0.000 0.780 415 I N -4.651 115.914 120.570 -0.009 0.000 3.762 415 I HA 0.337 4.506 4.170 -0.002 0.000 0.333 415 I C 0.391 176.518 176.117 0.016 0.000 1.566 415 I CA -1.138 60.166 61.300 0.006 0.000 1.129 415 I CB -0.299 37.700 38.000 -0.001 0.000 1.218 415 I HN -0.337 nan 8.210 nan 0.000 0.456 416 I N 2.601 123.168 120.570 -0.006 0.000 2.752 416 I HA -0.038 4.131 4.170 -0.002 0.000 0.289 416 I C 0.713 176.871 176.117 0.070 0.000 1.197 416 I CA 0.575 61.847 61.300 -0.047 0.000 1.432 416 I CB 0.172 38.027 38.000 -0.242 0.000 1.359 416 I HN 0.344 nan 8.210 nan 0.000 0.571 417 D N 5.781 126.275 120.400 0.157 0.000 2.382 417 D HA 0.075 4.713 4.640 -0.002 0.000 0.245 417 D C 0.789 177.296 176.300 0.346 0.000 1.120 417 D CA 0.428 54.586 54.000 0.263 0.000 0.890 417 D CB 1.571 42.586 40.800 0.358 0.000 1.201 417 D HN 0.750 nan 8.370 nan 0.000 0.433 418 A N 3.434 126.411 122.820 0.262 0.000 2.019 418 A HA -0.054 4.265 4.320 -0.002 0.000 0.219 418 A C 1.646 179.354 177.584 0.208 0.000 1.164 418 A CA 1.702 53.875 52.037 0.225 0.000 0.644 418 A CB -0.105 18.986 19.000 0.152 0.000 0.805 418 A HN 0.579 nan 8.150 nan 0.000 0.449 419 A N -0.596 122.361 122.820 0.227 0.000 2.507 419 A HA 0.280 4.598 4.320 -0.002 0.000 0.270 419 A C 1.406 179.055 177.584 0.108 0.000 1.318 419 A CA 0.201 52.310 52.037 0.120 0.000 0.924 419 A CB -0.863 18.184 19.000 0.079 0.000 1.061 419 A HN 0.932 nan 8.150 nan 0.000 0.516 420 W N 0.442 121.774 121.300 0.053 0.000 2.421 420 W HA -0.030 4.629 4.660 -0.002 0.000 0.270 420 W C -0.033 176.484 176.519 -0.002 0.000 1.233 420 W CA 1.313 58.681 57.345 0.038 0.000 1.226 420 W CB -0.228 29.274 29.460 0.070 0.000 1.121 420 W HN 0.504 nan 8.180 nan 0.000 0.579 421 E N 0.953 120.743 120.200 -0.682 0.000 2.624 421 E HA 0.023 4.371 4.350 -0.002 0.000 0.210 421 E C 0.235 176.626 176.600 -0.347 0.000 0.997 421 E CA -0.169 55.801 56.400 -0.716 0.000 0.999 421 E CB 0.633 29.747 29.700 -0.977 0.000 1.040 421 E HN -0.054 nan 8.360 nan 0.000 0.469 422 S N 2.189 117.760 115.700 -0.214 0.000 2.516 422 S HA 0.086 4.554 4.470 -0.002 0.000 0.282 422 S C -1.688 172.838 174.600 -0.123 0.000 1.286 422 S CA -1.279 56.840 58.200 -0.135 0.000 1.066 422 S CB 0.713 63.860 63.200 -0.087 0.000 0.884 422 S HN -0.085 nan 8.310 nan 0.000 0.491 423 P HA 0.007 nan 4.420 nan 0.000 0.233 423 P C 0.858 178.117 177.300 -0.068 0.000 1.167 423 P CA 0.517 63.566 63.100 -0.084 0.000 0.770 423 P CB 0.126 31.782 31.700 -0.073 0.000 0.837 424 E N -0.199 119.962 120.200 -0.065 0.000 2.208 424 E HA 0.101 4.449 4.350 -0.002 0.000 0.193 424 E C 1.354 177.915 176.600 -0.065 0.000 0.988 424 E CA 0.937 57.304 56.400 -0.055 0.000 0.828 424 E CB -0.685 28.988 29.700 -0.045 0.000 0.763 424 E HN 0.198 nan 8.360 nan 0.000 0.478 425 G N 0.950 109.699 108.800 -0.084 0.000 2.796 425 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.571 425 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.571 425 G C -0.169 174.632 174.900 -0.165 0.000 1.370 425 G CA -0.248 44.791 45.100 -0.103 0.000 0.856 425 G HN 0.506 nan 8.290 nan 0.000 0.538 426 V N -2.478 117.286 119.914 -0.250 0.000 2.495 426 V HA 0.835 4.953 4.120 -0.002 0.000 0.298 426 V C -2.150 173.771 176.094 -0.289 0.000 1.031 426 V CA -2.047 59.961 62.300 -0.487 0.000 0.871 426 V CB 2.165 33.286 31.823 -1.171 0.000 0.988 426 V HN 0.894 nan 8.190 nan 0.000 0.432 427 P HA 0.282 nan 4.420 nan 0.000 0.276 427 P C -0.515 176.830 177.300 0.075 0.000 1.264 427 P CA 0.021 63.104 63.100 -0.028 0.000 0.769 427 P CB 0.694 32.351 31.700 -0.072 0.000 0.840 428 I N 4.201 124.822 120.570 0.085 0.000 2.352 428 I HA 0.131 4.299 4.170 -0.002 0.000 0.290 428 I C 1.443 177.649 176.117 0.147 0.000 1.036 428 I CA 0.126 61.507 61.300 0.135 0.000 1.336 428 I CB 0.226 38.293 38.000 0.111 0.000 1.407 428 I HN 0.424 nan 8.210 nan 0.000 0.497 429 E N 3.784 124.078 120.200 0.155 0.000 2.460 429 E HA 0.243 4.591 4.350 -0.002 0.000 0.200 429 E C 0.738 177.435 176.600 0.162 0.000 1.011 429 E CA -0.082 56.398 56.400 0.133 0.000 0.912 429 E CB 1.063 30.804 29.700 0.070 0.000 0.953 429 E HN 0.794 nan 8.360 nan 0.000 0.494 430 G N 1.027 109.941 108.800 0.190 0.000 2.753 430 G HA2 0.541 4.500 3.960 -0.002 0.000 0.297 430 G HA3 0.541 4.500 3.960 -0.002 0.000 0.297 430 G C -1.241 173.776 174.900 0.196 0.000 1.430 430 G CA -0.628 44.623 45.100 0.251 0.000 1.040 430 G HN -0.048 nan 8.290 nan 0.000 0.530 431 I N 1.944 122.603 120.570 0.148 0.000 2.378 431 I HA 0.430 4.599 4.170 -0.002 0.000 0.291 431 I C -0.394 175.613 176.117 -0.183 0.000 0.992 431 I CA -0.739 60.539 61.300 -0.037 0.000 1.154 431 I CB 1.903 39.871 38.000 -0.054 0.000 1.315 431 I HN 0.230 nan 8.210 nan 0.000 0.448 432 I N 6.206 126.613 120.570 -0.271 0.000 2.378 432 I HA 0.402 4.571 4.170 -0.002 0.000 0.291 432 I C -0.683 175.047 176.117 -0.646 0.000 0.992 432 I CA -0.311 60.797 61.300 -0.319 0.000 1.154 432 I CB 1.099 39.007 38.000 -0.153 0.000 1.315 432 I HN 0.330 nan 8.210 nan 0.000 0.448 433 F N 3.125 122.851 119.950 -0.374 0.000 2.507 433 F HA 0.844 5.369 4.527 -0.002 0.000 0.327 433 F C 0.786 176.102 175.800 -0.807 0.000 1.068 433 F CA -0.552 57.132 58.000 -0.526 0.000 0.965 433 F CB 2.257 41.050 39.000 -0.346 0.000 1.192 433 F HN 0.497 nan 8.300 nan 0.000 0.476 434 G N -0.050 108.385 108.800 -0.608 0.000 2.576 434 G HA2 0.597 4.556 3.960 -0.002 0.000 0.290 434 G HA3 0.597 4.556 3.960 -0.002 0.000 0.290 434 G C -1.605 173.221 174.900 -0.124 0.000 1.442 434 G CA -0.401 44.316 45.100 -0.639 0.000 0.792 434 G HN 0.961 nan 8.290 nan 0.000 0.491 435 G N -1.052 107.730 108.800 -0.029 0.000 2.721 435 G HA2 0.609 4.567 3.960 -0.002 0.000 0.296 435 G HA3 0.609 4.567 3.960 -0.002 0.000 0.296 435 G C -1.321 173.641 174.900 0.103 0.000 1.383 435 G CA -0.874 44.276 45.100 0.084 0.000 0.788 435 G HN 0.558 nan 8.290 nan 0.000 0.500 436 R N 0.756 121.254 120.500 -0.004 0.000 2.204 436 R HA 0.475 4.813 4.340 -0.002 0.000 0.341 436 R C -0.828 175.490 176.300 0.029 0.000 1.035 436 R CA -0.577 55.480 56.100 -0.071 0.000 0.887 436 R CB 0.348 30.406 30.300 -0.404 0.000 1.114 436 R HN 0.227 nan 8.270 nan 0.000 0.473 437 R N 5.613 126.194 120.500 0.135 0.000 2.467 437 R HA 0.221 4.559 4.340 -0.002 0.000 0.299 437 R C -2.061 174.298 176.300 0.097 0.000 1.120 437 R CA -2.291 53.863 56.100 0.090 0.000 0.940 437 R CB 1.702 32.056 30.300 0.090 0.000 1.161 437 R HN 0.507 nan 8.270 nan 0.000 0.506 438 P HA -0.060 nan 4.420 nan 0.000 0.218 438 P C -0.023 177.264 177.300 -0.021 0.000 1.149 438 P CA 0.862 63.990 63.100 0.047 0.000 0.817 438 P CB 0.612 32.320 31.700 0.013 0.000 0.785 439 A N -1.826 120.951 122.820 -0.071 0.000 2.413 439 A HA 0.653 4.971 4.320 -0.002 0.000 0.307 439 A C 1.070 178.294 177.584 -0.600 0.000 1.087 439 A CA -0.017 51.887 52.037 -0.223 0.000 0.750 439 A CB 1.090 20.012 19.000 -0.129 0.000 1.296 439 A HN 0.203 nan 8.150 nan 0.000 0.423 440 G N -0.572 107.723 108.800 -0.841 0.000 2.435 440 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.245 440 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.245 440 G C 0.327 174.868 174.900 -0.598 0.000 1.073 440 G CA 0.493 44.687 45.100 -1.510 0.000 0.638 440 G HN 1.626 nan 8.290 nan 0.000 0.521 441 V N 3.557 123.301 119.914 -0.283 0.000 2.364 441 V HA 0.460 4.578 4.120 -0.002 0.000 0.272 441 V C -1.543 174.585 176.094 0.056 0.000 1.036 441 V CA -1.437 60.939 62.300 0.126 0.000 0.880 441 V CB 1.470 33.426 31.823 0.222 0.000 0.991 441 V HN 0.149 nan 8.190 nan 0.000 0.460 442 P HA 0.032 nan 4.420 nan 0.000 0.269 442 P C 0.841 178.002 177.300 -0.230 0.000 1.217 442 P CA -0.303 62.703 63.100 -0.157 0.000 0.783 442 P CB 0.659 32.337 31.700 -0.036 0.000 0.898 443 L N 3.283 124.115 121.223 -0.652 0.000 2.043 443 L HA -0.039 4.299 4.340 -0.002 0.000 0.212 443 L C 0.478 177.122 176.870 -0.377 0.000 1.075 443 L CA 2.054 56.529 54.840 -0.608 0.000 0.752 443 L CB -0.114 41.363 42.059 -0.970 0.000 0.891 443 L HN 0.214 nan 8.230 nan 0.000 0.432 444 V N -0.600 119.204 119.914 -0.183 0.000 2.891 444 V HA 0.451 4.569 4.120 -0.002 0.000 0.304 444 V C -1.648 174.625 176.094 0.299 0.000 1.171 444 V CA -0.577 61.742 62.300 0.031 0.000 0.943 444 V CB 1.887 33.713 31.823 0.005 0.000 1.037 444 V HN 0.365 nan 8.190 nan 0.000 0.427 445 Y N 2.460 122.926 120.300 0.276 0.000 2.615 445 Y HA 0.827 5.376 4.550 -0.002 0.000 0.341 445 Y C -0.848 175.365 175.900 0.521 0.000 1.089 445 Y CA -0.995 57.324 58.100 0.365 0.000 1.049 445 Y CB 1.679 40.265 38.460 0.210 0.000 1.296 445 Y HN 0.697 nan 8.280 nan 0.000 0.470 446 E N 1.924 122.534 120.200 0.683 0.000 2.183 446 E HA 0.713 5.062 4.350 -0.002 0.000 0.271 446 E C -0.829 175.970 176.600 0.330 0.000 0.919 446 E CA -1.151 55.481 56.400 0.387 0.000 0.781 446 E CB 1.766 31.745 29.700 0.466 0.000 1.140 446 E HN 1.024 nan 8.360 nan 0.000 0.402 447 A N 4.115 127.009 122.820 0.124 0.000 2.483 447 A HA 0.116 4.434 4.320 -0.002 0.000 0.238 447 A C 0.896 178.655 177.584 0.292 0.000 1.070 447 A CA -0.061 52.102 52.037 0.210 0.000 0.770 447 A CB 0.239 19.260 19.000 0.035 0.000 1.008 447 A HN 0.847 nan 8.150 nan 0.000 0.497 448 L N 1.105 122.568 121.223 0.400 0.000 2.313 448 L HA 0.067 4.406 4.340 -0.002 0.000 0.214 448 L C 0.987 177.983 176.870 0.210 0.000 1.119 448 L CA 1.172 56.089 54.840 0.128 0.000 0.809 448 L CB -0.484 41.486 42.059 -0.148 0.000 0.933 448 L HN 0.916 nan 8.230 nan 0.000 0.449 449 S N -3.883 111.973 115.700 0.260 0.000 2.615 449 S HA 0.027 4.496 4.470 -0.002 0.000 0.268 449 S C -0.078 174.706 174.600 0.307 0.000 1.146 449 S CA -0.927 57.428 58.200 0.258 0.000 0.818 449 S CB 0.199 63.526 63.200 0.212 0.000 1.111 449 S HN 0.211 nan 8.310 nan 0.000 0.465 450 W N 1.232 122.627 121.300 0.159 0.000 2.335 450 W HA -0.207 4.452 4.660 -0.001 0.000 0.311 450 W C 1.560 178.212 176.519 0.222 0.000 1.213 450 W CA 2.513 59.971 57.345 0.187 0.000 1.274 450 W CB -0.460 29.104 29.460 0.172 0.000 1.148 450 W HN 0.880 nan 8.180 nan 0.000 0.498 451 Q N -1.036 118.936 119.800 0.288 0.000 2.096 451 Q HA -0.265 4.074 4.340 -0.002 0.000 0.204 451 Q C 2.290 178.387 176.000 0.161 0.000 0.982 451 Q CA 2.210 58.127 55.803 0.191 0.000 0.850 451 Q CB -1.317 27.544 28.738 0.205 0.000 0.901 451 Q HN 0.509 nan 8.270 nan 0.000 0.422 452 H N -0.812 118.308 119.070 0.085 0.000 2.389 452 H HA -0.050 4.504 4.556 -0.003 0.000 0.299 452 H C 1.861 177.267 175.328 0.131 0.000 1.081 452 H CA 1.083 57.198 56.048 0.112 0.000 1.345 452 H CB 0.033 29.838 29.762 0.072 0.000 1.393 452 H HN 0.373 nan 8.280 nan 0.000 0.520 453 G N 0.495 109.243 108.800 -0.085 0.000 2.418 453 G HA2 -0.218 3.740 3.960 -0.002 0.000 0.217 453 G HA3 -0.218 3.740 3.960 -0.002 0.000 0.217 453 G C 1.849 176.603 174.900 -0.243 0.000 1.158 453 G CA 1.016 45.999 45.100 -0.195 0.000 0.771 453 G HN 0.333 nan 8.290 nan 0.000 0.545 454 V N 0.592 120.349 119.914 -0.261 0.000 2.332 454 V HA -0.179 3.939 4.120 -0.002 0.000 0.248 454 V C 2.346 178.386 176.094 -0.091 0.000 1.055 454 V CA 1.944 64.165 62.300 -0.132 0.000 1.038 454 V CB -0.705 31.121 31.823 0.005 0.000 0.651 454 V HN 0.415 nan 8.190 nan 0.000 0.450 455 F N 0.772 120.641 119.950 -0.135 0.000 2.134 455 F HA -0.173 4.352 4.527 -0.003 0.000 0.299 455 F C 2.194 177.870 175.800 -0.207 0.000 1.097 455 F CA 1.768 59.715 58.000 -0.088 0.000 1.264 455 F CB -0.435 38.573 39.000 0.013 0.000 1.001 455 F HN -0.038 nan 8.300 nan 0.000 0.479 456 V N 0.745 120.389 119.914 -0.449 0.000 2.295 456 V HA -0.242 3.876 4.120 -0.002 0.000 0.246 456 V C 2.799 178.400 176.094 -0.822 0.000 1.049 456 V CA 1.991 63.955 62.300 -0.560 0.000 1.024 456 V CB -1.670 29.969 31.823 -0.306 0.000 0.648 456 V HN 0.564 nan 8.190 nan 0.000 0.447 457 G N -0.334 107.671 108.800 -1.326 0.000 2.446 457 G HA2 -0.244 3.714 3.960 -0.002 0.000 0.217 457 G HA3 -0.244 3.714 3.960 -0.002 0.000 0.217 457 G C 1.758 175.847 174.900 -1.350 0.000 1.168 457 G CA 1.047 44.694 45.100 -2.423 0.000 0.771 457 G HN 0.623 nan 8.290 nan 0.000 0.551 458 A N 0.788 123.222 122.820 -0.642 0.000 2.019 458 A HA 0.319 4.638 4.320 -0.002 0.000 0.219 458 A C 2.578 180.119 177.584 -0.072 0.000 1.164 458 A CA 2.089 54.171 52.037 0.074 0.000 0.644 458 A CB -0.428 18.703 19.000 0.219 0.000 0.805 458 A HN 0.840 nan 8.150 nan 0.000 0.449 459 A N -1.223 121.334 122.820 -0.439 0.000 2.218 459 A HA 0.421 4.739 4.320 -0.002 0.000 0.209 459 A C 0.990 178.388 177.584 -0.309 0.000 1.168 459 A CA -0.258 51.546 52.037 -0.389 0.000 0.804 459 A CB -0.462 18.083 19.000 -0.758 0.000 0.834 459 A HN 0.511 nan 8.150 nan 0.000 0.482 460 M N 1.112 120.514 119.600 -0.329 0.000 2.290 460 M HA 0.065 4.543 4.480 -0.002 0.000 0.356 460 M C 0.111 176.227 176.300 -0.306 0.000 1.448 460 M CA 1.036 56.184 55.300 -0.253 0.000 0.993 460 M CB 0.132 32.585 32.600 -0.244 0.000 1.934 460 M HN 0.300 nan 8.290 nan 0.000 0.461 461 R N 1.384 121.707 120.500 -0.296 0.000 2.795 461 R HA 0.756 5.094 4.340 -0.002 0.000 0.275 461 R C -1.154 175.035 176.300 -0.186 0.000 0.981 461 R CA -0.852 55.018 56.100 -0.383 0.000 0.917 461 R CB 2.438 32.410 30.300 -0.545 0.000 1.202 461 R HN 0.607 nan 8.270 nan 0.000 0.469 462 S N 0.103 115.701 115.700 -0.170 0.000 2.535 462 S HA 0.120 4.588 4.470 -0.002 0.000 0.272 462 S C -1.570 172.967 174.600 -0.105 0.000 1.149 462 S CA -0.737 57.401 58.200 -0.103 0.000 0.888 462 S CB 1.676 64.829 63.200 -0.077 0.000 1.110 462 S HN 0.590 nan 8.310 nan 0.000 0.463 463 E N 2.345 122.489 120.200 -0.094 0.000 2.290 463 E HA 0.534 4.882 4.350 -0.002 0.000 0.277 463 E C 0.026 176.569 176.600 -0.095 0.000 1.035 463 E CA -0.255 56.093 56.400 -0.086 0.000 0.873 463 E CB 0.813 30.470 29.700 -0.071 0.000 1.029 463 E HN 0.626 nan 8.360 nan 0.000 0.419 474 I N 5.093 125.643 120.570 -0.033 0.000 2.545 474 I HA 0.456 4.625 4.170 -0.002 0.000 0.292 474 I C 0.168 176.253 176.117 -0.052 0.000 1.040 474 I CA -1.128 60.150 61.300 -0.037 0.000 1.068 474 I CB 1.847 39.828 38.000 -0.030 0.000 1.251 474 I HN 0.493 nan 8.210 nan 0.000 0.424 475 I N 6.078 126.612 120.570 -0.061 0.000 2.315 475 I HA 0.355 4.524 4.170 -0.002 0.000 0.291 475 I C 0.127 176.176 176.117 -0.113 0.000 1.006 475 I CA -0.002 61.243 61.300 -0.093 0.000 1.265 475 I CB 0.656 38.596 38.000 -0.101 0.000 1.387 475 I HN 0.280 nan 8.210 nan 0.000 0.475 476 M N 4.513 124.033 119.600 -0.133 0.000 2.664 476 M HA 0.441 4.919 4.480 -0.002 0.000 0.314 476 M C -0.326 175.827 176.300 -0.244 0.000 1.200 476 M CA -0.768 54.456 55.300 -0.126 0.000 0.916 476 M CB 1.812 34.368 32.600 -0.073 0.000 1.717 476 M HN 0.432 nan 8.290 nan 0.000 0.470 477 H N 1.234 120.118 119.070 -0.309 0.000 2.683 477 H HA 0.143 4.698 4.556 -0.003 0.000 0.339 477 H C -0.850 174.312 175.328 -0.275 0.000 1.081 477 H CA 0.735 56.508 56.048 -0.457 0.000 1.432 477 H CB 0.913 30.015 29.762 -1.100 0.000 1.462 477 H HN 0.444 nan 8.280 nan 0.000 0.557 478 D N 4.370 124.679 120.400 -0.152 0.000 2.823 478 D HA 0.145 4.783 4.640 -0.002 0.000 0.255 478 D C -2.735 173.515 176.300 -0.083 0.000 1.257 478 D CA -1.691 52.251 54.000 -0.096 0.000 0.803 478 D CB 0.825 41.580 40.800 -0.076 0.000 1.384 478 D HN 0.236 nan 8.370 nan 0.000 0.541 479 P HA 0.035 nan 4.420 nan 0.000 0.263 479 P C 0.285 177.697 177.300 0.187 0.000 1.195 479 P CA -0.012 63.114 63.100 0.043 0.000 0.762 479 P CB 0.076 31.829 31.700 0.089 0.000 0.799 480 F N 1.379 121.207 119.950 -0.204 0.000 3.021 480 F HA -0.305 4.220 4.527 -0.003 0.000 0.294 480 F C 1.457 177.290 175.800 0.055 0.000 0.761 480 F CA 1.128 59.077 58.000 -0.086 0.000 1.102 480 F CB -2.733 36.320 39.000 0.089 0.000 1.380 480 F HN 0.580 nan 8.300 nan 0.000 0.387 481 A N -1.605 121.287 122.820 0.121 0.000 2.826 481 A HA -0.296 4.022 4.320 -0.002 0.000 0.274 481 A C 1.362 179.092 177.584 0.243 0.000 1.443 481 A CA 1.631 53.778 52.037 0.183 0.000 0.833 481 A CB -1.480 17.652 19.000 0.220 0.000 1.023 481 A HN 0.428 nan 8.150 nan 0.000 0.600 482 M N -1.508 118.042 119.600 -0.084 0.000 2.333 482 M HA 0.126 4.604 4.480 -0.002 0.000 0.257 482 M C 1.695 177.355 176.300 -1.066 0.000 1.078 482 M CA 0.673 55.662 55.300 -0.518 0.000 1.005 482 M CB -0.492 31.548 32.600 -0.933 0.000 1.444 482 M HN 0.668 nan 8.290 nan 0.000 0.496 483 R N 1.922 122.031 120.500 -0.651 0.000 2.134 483 R HA -0.182 4.157 4.340 -0.002 0.000 0.248 483 R C -1.132 174.858 176.300 -0.518 0.000 1.143 483 R CA 2.042 57.860 56.100 -0.470 0.000 0.957 483 R CB -1.073 29.099 30.300 -0.213 0.000 0.867 483 R HN 0.181 nan 8.270 nan 0.000 0.441 484 P HA 0.043 nan 4.420 nan 0.000 0.249 484 P C -0.132 176.636 177.300 -0.886 0.000 1.229 484 P CA 0.927 63.507 63.100 -0.867 0.000 0.788 484 P CB 0.131 31.099 31.700 -1.220 0.000 1.072 485 F N -3.160 116.572 119.950 -0.364 0.000 2.798 485 F HA 0.307 4.833 4.527 -0.002 0.000 0.328 485 F C 0.699 176.320 175.800 -0.297 0.000 1.098 485 F CA -0.764 57.044 58.000 -0.320 0.000 1.172 485 F CB -0.038 38.758 39.000 -0.340 0.000 1.072 485 F HN -0.297 nan 8.300 nan 0.000 0.555 486 F N 1.057 120.958 119.950 -0.081 0.000 2.608 486 F HA 0.165 4.690 4.527 -0.003 0.000 0.380 486 F C 1.607 177.366 175.800 -0.068 0.000 1.083 486 F CA 0.013 57.917 58.000 -0.160 0.000 1.266 486 F CB 0.637 39.461 39.000 -0.294 0.000 1.076 486 F HN 0.057 nan 8.300 nan 0.000 0.574 487 G N 3.093 112.032 108.800 0.232 0.000 3.042 487 G HA2 0.146 4.104 3.960 -0.002 0.000 0.212 487 G HA3 0.146 4.104 3.960 -0.002 0.000 0.212 487 G C -0.481 174.625 174.900 0.344 0.000 1.166 487 G CA 0.287 45.532 45.100 0.241 0.000 0.767 487 G HN 0.750 nan 8.290 nan 0.000 0.546 488 Y N -3.276 117.095 120.300 0.118 0.000 2.818 488 Y HA 0.451 5.000 4.550 -0.002 0.000 0.341 488 Y C -0.560 175.362 175.900 0.036 0.000 1.283 488 Y CA -1.808 56.331 58.100 0.065 0.000 1.075 488 Y CB 0.260 38.740 38.460 0.033 0.000 1.370 488 Y HN -0.167 nan 8.280 nan 0.000 0.448 489 N N 1.706 120.430 118.700 0.041 0.000 2.315 489 N HA -0.137 4.601 4.740 -0.002 0.000 0.270 489 N C 0.484 175.818 175.510 -0.294 0.000 1.329 489 N CA 0.500 53.496 53.050 -0.090 0.000 0.860 489 N CB 0.166 38.658 38.487 0.008 0.000 1.095 489 N HN 0.776 nan 8.380 nan 0.000 0.487 490 F N 4.719 124.304 119.950 -0.608 0.000 2.161 490 F HA -0.020 4.506 4.527 -0.002 0.000 0.300 490 F C 2.043 177.610 175.800 -0.388 0.000 1.089 490 F CA 1.850 59.334 58.000 -0.861 0.000 1.282 490 F CB -0.665 37.682 39.000 -1.087 0.000 1.010 490 F HN 0.570 nan 8.300 nan 0.000 0.485 491 G N 0.486 109.047 108.800 -0.399 0.000 2.476 491 G HA2 -0.306 3.652 3.960 -0.002 0.000 0.218 491 G HA3 -0.306 3.652 3.960 -0.002 0.000 0.218 491 G C 1.811 176.587 174.900 -0.206 0.000 1.164 491 G CA 0.987 45.877 45.100 -0.349 0.000 0.768 491 G HN 0.386 nan 8.290 nan 0.000 0.560 492 K N -0.751 119.605 120.400 -0.074 0.000 2.148 492 K HA -0.055 4.263 4.320 -0.002 0.000 0.204 492 K C 2.167 178.901 176.600 0.223 0.000 1.050 492 K CA 1.008 57.355 56.287 0.100 0.000 0.942 492 K CB -0.258 32.376 32.500 0.222 0.000 0.724 492 K HN 0.521 nan 8.250 nan 0.000 0.446 493 Y N 1.696 121.940 120.300 -0.093 0.000 2.200 493 Y HA -0.150 4.398 4.550 -0.002 0.000 0.290 493 Y C 1.820 177.730 175.900 0.017 0.000 1.137 493 Y CA 1.111 59.196 58.100 -0.026 0.000 1.163 493 Y CB -0.082 38.154 38.460 -0.374 0.000 0.988 493 Y HN -0.096 nan 8.280 nan 0.000 0.518 494 L N -0.012 121.156 121.223 -0.091 0.000 2.046 494 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 494 L C 2.824 179.716 176.870 0.037 0.000 1.077 494 L CA 1.135 55.894 54.840 -0.134 0.000 0.747 494 L CB -0.911 40.934 42.059 -0.358 0.000 0.896 494 L HN 0.383 nan 8.230 nan 0.000 0.432 495 A N -0.705 122.143 122.820 0.047 0.000 1.930 495 A HA -0.284 4.035 4.320 -0.002 0.000 0.217 495 A C 2.113 179.801 177.584 0.175 0.000 1.175 495 A CA 1.823 53.922 52.037 0.102 0.000 0.627 495 A CB -0.755 18.290 19.000 0.075 0.000 0.815 495 A HN 0.491 nan 8.150 nan 0.000 0.443 496 H N -2.073 117.048 119.070 0.086 0.000 2.321 496 H HA -0.179 4.375 4.556 -0.003 0.000 0.300 496 H C 1.750 177.134 175.328 0.093 0.000 1.087 496 H CA 2.043 58.127 56.048 0.060 0.000 1.319 496 H CB -0.392 29.390 29.762 0.034 0.000 1.379 496 H HN 0.615 nan 8.280 nan 0.000 0.501 497 W N 0.627 121.836 121.300 -0.152 0.000 2.355 497 W HA -0.124 4.535 4.660 -0.002 0.000 0.309 497 W C 2.499 179.193 176.519 0.292 0.000 1.206 497 W CA 1.482 58.810 57.345 -0.028 0.000 1.284 497 W CB -0.581 28.832 29.460 -0.078 0.000 1.145 497 W HN 0.189 nan 8.180 nan 0.000 0.502 498 L N 0.209 121.705 121.223 0.454 0.000 2.079 498 L HA -0.290 4.049 4.340 -0.002 0.000 0.210 498 L C 2.639 179.712 176.870 0.339 0.000 1.081 498 L CA 1.781 56.886 54.840 0.441 0.000 0.752 498 L CB -1.338 40.879 42.059 0.264 0.000 0.896 498 L HN 0.044 nan 8.230 nan 0.000 0.433 499 S N -0.711 115.107 115.700 0.197 0.000 2.469 499 S HA -0.193 4.275 4.470 -0.002 0.000 0.238 499 S C 1.897 176.538 174.600 0.068 0.000 0.998 499 S CA 0.949 59.216 58.200 0.112 0.000 0.957 499 S CB -0.383 62.877 63.200 0.101 0.000 0.764 499 S HN 0.382 nan 8.310 nan 0.000 0.514 500 M N 1.138 120.777 119.600 0.065 0.000 2.296 500 M HA 0.075 4.553 4.480 -0.002 0.000 0.265 500 M C 2.455 178.628 176.300 -0.213 0.000 1.064 500 M CA 1.201 56.488 55.300 -0.021 0.000 1.109 500 M CB -0.486 32.068 32.600 -0.076 0.000 1.396 500 M HN 0.562 nan 8.290 nan 0.000 0.430 501 A N -0.476 122.192 122.820 -0.253 0.000 2.172 501 A HA -0.124 4.195 4.320 -0.002 0.000 0.216 501 A C 1.689 179.201 177.584 -0.121 0.000 1.154 501 A CA 1.161 53.047 52.037 -0.252 0.000 0.701 501 A CB -0.269 18.688 19.000 -0.072 0.000 0.789 501 A HN 0.480 nan 8.150 nan 0.000 0.465 502 Q N -1.431 118.325 119.800 -0.074 0.000 2.247 502 Q HA 0.166 4.505 4.340 -0.002 0.000 0.211 502 Q C 0.062 175.993 176.000 -0.116 0.000 0.861 502 Q CA -0.119 55.640 55.803 -0.072 0.000 0.949 502 Q CB 0.051 28.771 28.738 -0.030 0.000 1.115 502 Q HN 0.792 nan 8.270 nan 0.000 0.507 503 H N 1.577 120.493 119.070 -0.258 0.000 2.964 503 H HA 0.101 4.655 4.556 -0.003 0.000 0.328 503 H C -2.150 172.945 175.328 -0.388 0.000 1.030 503 H CA -1.610 54.207 56.048 -0.384 0.000 1.445 503 H CB 0.690 30.005 29.762 -0.745 0.000 1.449 503 H HN -0.076 nan 8.280 nan 0.000 0.581 504 P HA 0.049 nan 4.420 nan 0.000 0.263 504 P C -0.302 176.850 177.300 -0.248 0.000 1.195 504 P CA 1.062 63.959 63.100 -0.338 0.000 0.762 504 P CB 0.542 32.032 31.700 -0.351 0.000 0.799 505 A N 2.719 125.425 122.820 -0.190 0.000 2.826 505 A HA -0.117 4.202 4.320 -0.002 0.000 0.274 505 A C 0.871 178.330 177.584 -0.209 0.000 1.443 505 A CA 0.623 52.561 52.037 -0.165 0.000 0.833 505 A CB -2.169 16.750 19.000 -0.136 0.000 1.023 505 A HN 0.756 nan 8.150 nan 0.000 0.600 506 A N 0.317 122.974 122.820 -0.271 0.000 2.520 506 A HA 0.450 4.768 4.320 -0.002 0.000 0.245 506 A C 0.715 178.178 177.584 -0.203 0.000 1.072 506 A CA 0.404 52.221 52.037 -0.368 0.000 0.761 506 A CB 0.177 18.872 19.000 -0.509 0.000 1.004 506 A HN 0.492 nan 8.150 nan 0.000 0.499 507 K N 4.368 124.682 120.400 -0.143 0.000 2.296 507 K HA 0.291 4.610 4.320 -0.002 0.000 0.257 507 K C -0.932 175.677 176.600 0.016 0.000 1.088 507 K CA 0.033 56.271 56.287 -0.082 0.000 0.980 507 K CB 0.483 32.887 32.500 -0.159 0.000 1.430 507 K HN 0.611 nan 8.250 nan 0.000 0.441 508 L N 4.060 125.258 121.223 -0.042 0.000 2.410 508 L HA 0.163 4.502 4.340 -0.002 0.000 0.273 508 L C -1.846 175.085 176.870 0.102 0.000 1.152 508 L CA -1.846 52.942 54.840 -0.087 0.000 0.855 508 L CB -0.156 41.724 42.059 -0.298 0.000 1.129 508 L HN 0.192 nan 8.230 nan 0.000 0.463 509 P HA 0.020 nan 4.420 nan 0.000 0.266 509 P C -0.567 176.902 177.300 0.283 0.000 1.195 509 P CA -0.281 62.967 63.100 0.245 0.000 0.768 509 P CB 0.470 32.335 31.700 0.276 0.000 0.838 510 K N 2.506 123.002 120.400 0.160 0.000 2.436 510 K HA 0.205 4.523 4.320 -0.002 0.000 0.275 510 K C -0.263 176.280 176.600 -0.095 0.000 0.999 510 K CA 0.018 56.304 56.287 -0.001 0.000 0.980 510 K CB 0.067 32.511 32.500 -0.092 0.000 0.919 510 K HN 0.397 nan 8.250 nan 0.000 0.484 511 I N 4.663 125.081 120.570 -0.253 0.000 2.441 511 I HA 0.326 4.495 4.170 -0.002 0.000 0.295 511 I C -0.757 175.091 176.117 -0.447 0.000 0.994 511 I CA -0.745 60.416 61.300 -0.232 0.000 1.144 511 I CB 0.960 38.899 38.000 -0.102 0.000 1.314 511 I HN 0.477 nan 8.210 nan 0.000 0.445 512 F N 3.651 123.564 119.950 -0.063 0.000 2.593 512 F HA 0.487 5.012 4.527 -0.003 0.000 0.320 512 F C 0.012 175.704 175.800 -0.180 0.000 1.060 512 F CA -0.704 57.260 58.000 -0.060 0.000 0.940 512 F CB 1.650 40.649 39.000 -0.002 0.000 1.268 512 F HN 0.370 nan 8.300 nan 0.000 0.475 513 H N 1.561 120.464 119.070 -0.279 0.000 2.589 513 H HA 0.686 5.241 4.556 -0.003 0.000 0.351 513 H C -1.576 173.505 175.328 -0.411 0.000 1.074 513 H CA -0.611 55.145 56.048 -0.487 0.000 1.203 513 H CB 1.920 31.102 29.762 -0.967 0.000 1.558 513 H HN 0.572 nan 8.280 nan 0.000 0.522 514 V N 2.880 122.388 119.914 -0.676 0.000 2.960 514 V HA 0.552 4.670 4.120 -0.002 0.000 0.315 514 V C -0.572 175.131 176.094 -0.651 0.000 1.087 514 V CA -0.979 60.935 62.300 -0.643 0.000 0.982 514 V CB 1.970 33.221 31.823 -0.953 0.000 1.039 514 V HN 0.796 nan 8.190 nan 0.000 0.437 515 N N 1.552 119.915 118.700 -0.562 0.000 2.558 515 N HA 0.396 5.135 4.740 -0.002 0.000 0.285 515 N C -0.414 174.906 175.510 -0.317 0.000 1.112 515 N CA -0.679 52.174 53.050 -0.329 0.000 0.857 515 N CB 1.108 39.577 38.487 -0.030 0.000 1.376 515 N HN 0.879 nan 8.380 nan 0.000 0.526 516 W N 2.072 123.204 121.300 -0.281 0.000 2.937 516 W HA 0.193 4.852 4.660 -0.003 0.000 0.245 516 W C 0.162 176.293 176.519 -0.647 0.000 1.306 516 W CA -0.293 56.661 57.345 -0.651 0.000 1.470 516 W CB 0.088 28.802 29.460 -1.244 0.000 1.132 516 W HN 0.436 nan 8.180 nan 0.000 0.675 517 F N -0.132 119.918 119.950 0.166 0.000 2.683 517 F HA 0.286 4.811 4.527 -0.003 0.000 0.306 517 F C 1.276 177.286 175.800 0.350 0.000 1.102 517 F CA -0.825 57.347 58.000 0.287 0.000 1.244 517 F CB -0.295 38.841 39.000 0.228 0.000 1.029 517 F HN -0.400 nan 8.300 nan 0.000 0.545 518 R N 2.227 122.904 120.500 0.294 0.000 2.570 518 R HA 0.172 4.511 4.340 -0.002 0.000 0.277 518 R C -0.378 176.028 176.300 0.176 0.000 1.039 518 R CA 0.494 56.687 56.100 0.156 0.000 1.065 518 R CB 0.507 30.820 30.300 0.020 0.000 0.964 518 R HN 0.141 nan 8.270 nan 0.000 0.428 519 K N 1.983 122.412 120.400 0.049 0.000 2.281 519 K HA 0.191 4.510 4.320 -0.002 0.000 0.242 519 K C -0.859 175.720 176.600 -0.035 0.000 0.971 519 K CA -1.010 55.253 56.287 -0.041 0.000 0.834 519 K CB 1.326 33.725 32.500 -0.168 0.000 1.181 519 K HN 0.658 nan 8.250 nan 0.000 0.435 520 D N 0.423 120.801 120.400 -0.036 0.000 2.433 520 D HA -0.018 4.620 4.640 -0.002 0.000 0.255 520 D C 0.798 177.076 176.300 -0.037 0.000 1.226 520 D CA -0.400 53.587 54.000 -0.022 0.000 1.015 520 D CB 0.535 41.335 40.800 0.001 0.000 1.091 520 D HN 0.510 nan 8.370 nan 0.000 0.527 521 K N -0.410 119.977 120.400 -0.021 0.000 2.280 521 K HA -0.199 4.120 4.320 -0.002 0.000 0.202 521 K C 0.566 177.149 176.600 -0.029 0.000 1.047 521 K CA 1.232 57.506 56.287 -0.022 0.000 0.942 521 K CB -0.165 32.329 32.500 -0.009 0.000 0.739 521 K HN 0.334 nan 8.250 nan 0.000 0.457 522 E N 0.066 120.247 120.200 -0.031 0.000 2.465 522 E HA 0.115 4.463 4.350 -0.002 0.000 0.191 522 E C 0.629 177.190 176.600 -0.065 0.000 1.053 522 E CA 0.591 56.969 56.400 -0.036 0.000 0.869 522 E CB 0.584 30.271 29.700 -0.022 0.000 0.977 522 E HN 0.597 nan 8.360 nan 0.000 0.483 523 G N 1.094 109.838 108.800 -0.094 0.000 2.148 523 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.254 523 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.254 523 G C -0.017 174.722 174.900 -0.268 0.000 0.981 523 G CA -0.044 44.955 45.100 -0.168 0.000 0.670 523 G HN 0.045 nan 8.290 nan 0.000 0.528 524 K N 0.054 120.349 120.400 -0.176 0.000 2.205 524 K HA 0.455 4.774 4.320 -0.002 0.000 0.279 524 K C 0.346 176.866 176.600 -0.133 0.000 1.027 524 K CA -0.714 55.483 56.287 -0.151 0.000 0.932 524 K CB 0.712 33.197 32.500 -0.024 0.000 1.032 524 K HN 0.144 nan 8.250 nan 0.000 0.466 525 F N 2.243 122.230 119.950 0.062 0.000 2.578 525 F HA -0.046 4.480 4.527 -0.002 0.000 0.376 525 F C 1.851 177.688 175.800 0.062 0.000 1.085 525 F CA -0.106 57.937 58.000 0.072 0.000 1.260 525 F CB 0.231 39.278 39.000 0.078 0.000 1.095 525 F HN 0.364 nan 8.300 nan 0.000 0.573 526 L N 3.500 124.878 121.223 0.259 0.000 2.291 526 L HA -0.088 4.251 4.340 -0.002 0.000 0.214 526 L C 0.414 177.441 176.870 0.261 0.000 1.120 526 L CA 0.695 55.648 54.840 0.188 0.000 0.799 526 L CB -0.003 42.128 42.059 0.120 0.000 0.925 526 L HN 0.591 nan 8.230 nan 0.000 0.446 527 W N 1.597 122.915 121.300 0.030 0.000 2.600 527 W HA 0.260 4.918 4.660 -0.003 0.000 0.325 527 W C -1.929 174.545 176.519 -0.075 0.000 1.034 527 W CA -1.777 55.544 57.345 -0.040 0.000 1.226 527 W CB 1.974 31.396 29.460 -0.064 0.000 1.379 527 W HN -0.168 nan 8.180 nan 0.000 0.466 528 P HA -0.005 nan 4.420 nan 0.000 0.220 528 P C 1.024 178.019 177.300 -0.509 0.000 1.148 528 P CA 1.895 64.711 63.100 -0.473 0.000 0.803 528 P CB 0.456 31.859 31.700 -0.495 0.000 0.782 529 G N -0.623 107.645 108.800 -0.885 0.000 2.569 529 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.259 529 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.259 529 G C 0.195 174.776 174.900 -0.532 0.000 1.263 529 G CA -0.048 44.649 45.100 -0.672 0.000 0.928 529 G HN 0.189 nan 8.290 nan 0.000 0.572 530 F N -1.740 117.891 119.950 -0.531 0.000 3.078 530 F HA -0.310 4.216 4.527 -0.002 0.000 0.250 530 F C 2.747 178.327 175.800 -0.368 0.000 1.463 530 F CA 2.779 60.530 58.000 -0.415 0.000 1.788 530 F CB -1.678 37.138 39.000 -0.306 0.000 0.886 530 F HN 1.584 nan 8.300 nan 0.000 0.305 531 G N -0.396 108.370 108.800 -0.056 0.000 2.450 531 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.220 531 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.220 531 G C 1.147 175.946 174.900 -0.168 0.000 1.130 531 G CA 1.284 46.314 45.100 -0.117 0.000 0.760 531 G HN 0.552 nan 8.290 nan 0.000 0.557 532 E N 1.227 121.295 120.200 -0.220 0.000 2.409 532 E HA -0.062 4.287 4.350 -0.002 0.000 0.198 532 E C 2.004 178.553 176.600 -0.085 0.000 1.024 532 E CA 0.220 56.474 56.400 -0.243 0.000 0.861 532 E CB -0.312 29.088 29.700 -0.500 0.000 0.788 532 E HN 0.343 nan 8.360 nan 0.000 0.521 533 N N 0.989 119.586 118.700 -0.172 0.000 2.443 533 N HA -0.123 4.616 4.740 -0.002 0.000 0.184 533 N C 1.706 177.159 175.510 -0.094 0.000 1.037 533 N CA 1.126 54.073 53.050 -0.171 0.000 0.896 533 N CB -0.305 37.728 38.487 -0.757 0.000 0.959 533 N HN 0.226 nan 8.380 nan 0.000 0.442 534 S N 0.883 116.495 115.700 -0.147 0.000 2.400 534 S HA -0.135 4.334 4.470 -0.002 0.000 0.232 534 S C 1.837 176.263 174.600 -0.290 0.000 1.025 534 S CA 0.717 58.777 58.200 -0.232 0.000 0.993 534 S CB -0.209 62.827 63.200 -0.273 0.000 0.808 534 S HN 0.297 nan 8.310 nan 0.000 0.478 535 R N 0.530 120.962 120.500 -0.113 0.000 2.092 535 R HA 0.077 4.416 4.340 -0.002 0.000 0.231 535 R C 2.281 178.597 176.300 0.027 0.000 1.119 535 R CA 1.292 57.371 56.100 -0.036 0.000 0.970 535 R CB -0.682 29.721 30.300 0.173 0.000 0.864 535 R HN 0.352 nan 8.270 nan 0.000 0.440 536 V N 1.272 121.238 119.914 0.088 0.000 2.379 536 V HA -0.159 3.959 4.120 -0.002 0.000 0.245 536 V C 2.213 178.360 176.094 0.087 0.000 1.044 536 V CA 1.463 63.827 62.300 0.107 0.000 1.036 536 V CB -0.353 31.575 31.823 0.174 0.000 0.664 536 V HN 0.278 nan 8.190 nan 0.000 0.453 537 L N -0.008 121.220 121.223 0.008 0.000 2.083 537 L HA -0.209 4.129 4.340 -0.002 0.000 0.209 537 L C 2.566 179.406 176.870 -0.050 0.000 1.083 537 L CA 1.964 56.789 54.840 -0.025 0.000 0.752 537 L CB -0.653 41.389 42.059 -0.028 0.000 0.899 537 L HN 0.483 nan 8.230 nan 0.000 0.433 538 E N -0.033 120.015 120.200 -0.252 0.000 2.058 538 E HA -0.300 4.048 4.350 -0.002 0.000 0.194 538 E C 2.124 178.786 176.600 0.104 0.000 0.997 538 E CA 1.822 58.047 56.400 -0.291 0.000 0.801 538 E CB -0.250 29.133 29.700 -0.528 0.000 0.746 538 E HN 0.478 nan 8.360 nan 0.000 0.450 539 W N 0.938 122.206 121.300 -0.053 0.000 2.355 539 W HA -0.159 4.500 4.660 -0.002 0.000 0.309 539 W C 2.156 178.688 176.519 0.022 0.000 1.206 539 W CA 1.897 59.247 57.345 0.009 0.000 1.284 539 W CB -0.274 29.180 29.460 -0.010 0.000 1.145 539 W HN 0.067 nan 8.180 nan 0.000 0.502 540 M N -0.834 118.709 119.600 -0.095 0.000 2.082 540 M HA -0.228 4.250 4.480 -0.002 0.000 0.258 540 M C 2.221 178.454 176.300 -0.111 0.000 1.069 540 M CA 2.222 57.224 55.300 -0.497 0.000 1.102 540 M CB -1.213 30.913 32.600 -0.789 0.000 1.336 540 M HN 0.095 nan 8.290 nan 0.000 0.404 541 F N 1.529 121.429 119.950 -0.083 0.000 2.065 541 F HA -0.337 4.189 4.527 -0.002 0.000 0.298 541 F C 2.172 177.991 175.800 0.032 0.000 1.112 541 F CA 1.828 59.860 58.000 0.054 0.000 1.212 541 F CB -0.231 38.897 39.000 0.214 0.000 0.975 541 F HN 0.190 nan 8.300 nan 0.000 0.476 542 N N 0.125 119.015 118.700 0.317 0.000 2.216 542 N HA -0.099 4.639 4.740 -0.002 0.000 0.183 542 N C 1.906 177.395 175.510 -0.035 0.000 1.017 542 N CA 0.711 53.867 53.050 0.176 0.000 0.861 542 N CB -0.412 38.172 38.487 0.161 0.000 0.986 542 N HN 0.206 nan 8.380 nan 0.000 0.428 543 R N 1.192 121.564 120.500 -0.212 0.000 2.096 543 R HA -0.027 4.312 4.340 -0.002 0.000 0.240 543 R C 2.256 178.504 176.300 -0.085 0.000 1.139 543 R CA 0.657 56.605 56.100 -0.253 0.000 0.952 543 R CB -1.011 29.013 30.300 -0.460 0.000 0.854 543 R HN 0.331 nan 8.270 nan 0.000 0.436 544 I N 1.016 121.579 120.570 -0.012 0.000 2.248 544 I HA -0.269 3.900 4.170 -0.002 0.000 0.248 544 I C 1.130 177.219 176.117 -0.047 0.000 1.107 544 I CA 1.406 62.701 61.300 -0.007 0.000 1.373 544 I CB -0.235 37.746 38.000 -0.032 0.000 1.055 544 I HN 0.020 nan 8.210 nan 0.000 0.418 545 D N 0.168 120.535 120.400 -0.056 0.000 2.340 545 D HA 0.114 4.753 4.640 -0.002 0.000 0.220 545 D C 1.527 177.817 176.300 -0.015 0.000 1.039 545 D CA 0.908 54.889 54.000 -0.033 0.000 0.866 545 D CB 0.497 41.299 40.800 0.002 0.000 0.913 545 D HN 0.432 nan 8.370 nan 0.000 0.523 546 G N 1.127 109.907 108.800 -0.033 0.000 2.175 546 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.244 546 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.244 546 G C 0.547 175.424 174.900 -0.038 0.000 0.982 546 G CA 0.059 45.137 45.100 -0.037 0.000 0.641 546 G HN 0.283 nan 8.290 nan 0.000 0.527 547 K N 1.385 121.766 120.400 -0.031 0.000 2.504 547 K HA 0.431 4.749 4.320 -0.002 0.000 0.278 547 K C 1.112 177.691 176.600 -0.034 0.000 1.025 547 K CA 0.865 57.143 56.287 -0.015 0.000 1.093 547 K CB 0.263 32.765 32.500 0.004 0.000 0.873 547 K HN 0.950 nan 8.250 nan 0.000 0.483 548 A N 4.235 127.051 122.820 -0.007 0.000 3.046 548 A HA 0.073 4.391 4.320 -0.002 0.000 0.259 548 A C 0.539 178.145 177.584 0.037 0.000 1.843 548 A CA 0.431 52.465 52.037 -0.005 0.000 1.451 548 A CB -0.916 18.086 19.000 0.004 0.000 1.025 548 A HN 0.714 nan 8.150 nan 0.000 0.625 549 S N -0.717 115.019 115.700 0.060 0.000 2.602 549 S HA 0.163 4.632 4.470 -0.002 0.000 0.240 549 S C 0.661 175.469 174.600 0.347 0.000 0.992 549 S CA 0.214 58.536 58.200 0.203 0.000 0.971 549 S CB -0.549 62.817 63.200 0.277 0.000 0.855 549 S HN 0.753 nan 8.310 nan 0.000 0.481 550 T N -0.129 114.544 114.554 0.198 0.000 2.922 550 T HA 0.564 4.912 4.350 -0.002 0.000 0.285 550 T C -0.720 174.099 174.700 0.198 0.000 1.005 550 T CA -0.722 61.536 62.100 0.263 0.000 1.061 550 T CB 1.634 70.496 68.868 -0.009 0.000 1.007 550 T HN 0.291 nan 8.240 nan 0.000 0.502 551 K N 2.114 122.660 120.400 0.244 0.000 2.426 551 K HA 0.498 4.816 4.320 -0.002 0.000 0.254 551 K C -1.117 175.628 176.600 0.241 0.000 0.936 551 K CA -1.050 55.342 56.287 0.176 0.000 0.801 551 K CB 1.594 34.137 32.500 0.071 0.000 1.139 551 K HN 0.566 nan 8.250 nan 0.000 0.424 552 L N 3.895 125.243 121.223 0.209 0.000 2.416 552 L HA 0.282 4.621 4.340 -0.002 0.000 0.272 552 L C -0.288 176.590 176.870 0.014 0.000 1.161 552 L CA 0.932 55.853 54.840 0.136 0.000 0.845 552 L CB 0.987 43.109 42.059 0.105 0.000 1.119 552 L HN 0.872 nan 8.230 nan 0.000 0.464 553 T N 1.293 115.804 114.554 -0.072 0.000 2.887 553 T HA 0.572 4.921 4.350 -0.002 0.000 0.292 553 T C -2.149 172.423 174.700 -0.215 0.000 1.087 553 T CA -1.542 60.477 62.100 -0.135 0.000 1.009 553 T CB 1.548 70.321 68.868 -0.158 0.000 1.203 553 T HN 0.376 nan 8.240 nan 0.000 0.518 554 P HA 0.026 nan 4.420 nan 0.000 0.219 554 P C 1.486 178.576 177.300 -0.350 0.000 1.146 554 P CA 0.826 63.768 63.100 -0.264 0.000 0.808 554 P CB -0.206 31.355 31.700 -0.232 0.000 0.779 555 I N -5.677 114.599 120.570 -0.490 0.000 3.793 555 I HA 0.388 4.556 4.170 -0.002 0.000 0.315 555 I C 0.799 176.747 176.117 -0.282 0.000 1.275 555 I CA 0.257 61.212 61.300 -0.574 0.000 1.214 555 I CB -0.195 37.070 38.000 -1.225 0.000 1.018 555 I HN -0.037 nan 8.210 nan 0.000 0.439 556 G N 0.590 109.256 108.800 -0.224 0.000 2.325 556 G HA2 0.029 3.987 3.960 -0.002 0.000 0.285 556 G HA3 0.029 3.987 3.960 -0.002 0.000 0.285 556 G C -1.503 173.313 174.900 -0.139 0.000 1.303 556 G CA -0.881 44.164 45.100 -0.090 0.000 0.970 556 G HN 0.205 nan 8.290 nan 0.000 0.490 557 Y N 0.644 121.097 120.300 0.256 0.000 2.304 557 Y HA 0.586 5.135 4.550 -0.002 0.000 0.328 557 Y C 1.457 177.582 175.900 0.374 0.000 1.123 557 Y CA -0.206 58.065 58.100 0.285 0.000 1.218 557 Y CB 0.993 39.656 38.460 0.338 0.000 1.207 557 Y HN 0.672 nan 8.280 nan 0.000 0.495 558 I N 0.621 121.410 120.570 0.364 0.000 2.982 558 I HA 0.680 4.848 4.170 -0.002 0.000 0.312 558 I C -2.833 173.220 176.117 -0.108 0.000 1.041 558 I CA -3.340 58.026 61.300 0.110 0.000 1.053 558 I CB 1.796 39.836 38.000 0.066 0.000 1.248 558 I HN 0.237 nan 8.210 nan 0.000 0.471 559 P HA 0.047 nan 4.420 nan 0.000 0.264 559 P C -0.989 176.101 177.300 -0.349 0.000 1.193 559 P CA -0.029 62.618 63.100 -0.755 0.000 0.763 559 P CB 0.443 31.398 31.700 -1.242 0.000 0.810 560 K N 2.860 123.219 120.400 -0.068 0.000 2.187 560 K HA 0.051 4.370 4.320 -0.002 0.000 0.247 560 K C 0.278 176.807 176.600 -0.119 0.000 1.019 560 K CA -0.348 55.911 56.287 -0.046 0.000 0.893 560 K CB 0.388 32.920 32.500 0.052 0.000 1.025 560 K HN 0.364 nan 8.250 nan 0.000 0.500 561 E N 1.340 121.489 120.200 -0.085 0.000 2.415 561 E HA -0.116 4.233 4.350 -0.002 0.000 0.263 561 E C -0.568 176.001 176.600 -0.053 0.000 0.995 561 E CA 0.700 57.048 56.400 -0.086 0.000 0.915 561 E CB 0.303 29.976 29.700 -0.045 0.000 0.951 561 E HN 0.735 nan 8.360 nan 0.000 0.449 562 D N 1.722 122.086 120.400 -0.060 0.000 2.978 562 D HA -0.273 4.365 4.640 -0.002 0.000 0.205 562 D C 0.779 177.074 176.300 -0.008 0.000 1.093 562 D CA 1.161 55.148 54.000 -0.022 0.000 1.006 562 D CB -1.077 39.727 40.800 0.006 0.000 1.116 562 D HN 0.536 nan 8.370 nan 0.000 0.419 563 A N -0.235 122.568 122.820 -0.029 0.000 1.970 563 A HA 0.072 4.391 4.320 -0.002 0.000 0.216 563 A C 1.163 178.777 177.584 0.050 0.000 1.170 563 A CA 0.390 52.455 52.037 0.046 0.000 0.645 563 A CB 0.109 19.173 19.000 0.107 0.000 0.816 563 A HN 0.204 nan 8.150 nan 0.000 0.447 564 L N 1.133 122.311 121.223 -0.075 0.000 2.360 564 L HA 0.214 4.552 4.340 -0.002 0.000 0.276 564 L C 0.051 176.945 176.870 0.040 0.000 1.121 564 L CA -0.289 54.525 54.840 -0.043 0.000 0.845 564 L CB 0.134 42.105 42.059 -0.148 0.000 1.143 564 L HN 0.300 nan 8.230 nan 0.000 0.452 565 N N 4.908 123.653 118.700 0.074 0.000 2.416 565 N HA 0.092 4.831 4.740 -0.002 0.000 0.265 565 N C 0.082 175.645 175.510 0.088 0.000 1.195 565 N CA 0.270 53.362 53.050 0.071 0.000 0.943 565 N CB 0.360 38.878 38.487 0.051 0.000 1.115 565 N HN 0.689 nan 8.380 nan 0.000 0.481 566 L N 2.048 123.317 121.223 0.076 0.000 2.808 566 L HA 0.249 4.587 4.340 -0.002 0.000 0.246 566 L C 0.895 177.785 176.870 0.033 0.000 1.153 566 L CA -0.260 54.624 54.840 0.073 0.000 0.956 566 L CB -0.043 42.068 42.059 0.086 0.000 1.270 566 L HN 0.396 nan 8.230 nan 0.000 0.528 567 K N 1.337 121.755 120.400 0.030 0.000 2.453 567 K HA 0.173 4.491 4.320 -0.002 0.000 0.280 567 K C 1.163 177.763 176.600 -0.001 0.000 1.045 567 K CA 1.092 57.391 56.287 0.019 0.000 1.059 567 K CB 0.280 32.796 32.500 0.026 0.000 0.901 567 K HN 0.270 nan 8.250 nan 0.000 0.475 568 G N 3.109 111.905 108.800 -0.005 0.000 2.175 568 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.244 568 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.244 568 G C 0.007 174.882 174.900 -0.042 0.000 0.982 568 G CA -0.029 45.058 45.100 -0.021 0.000 0.641 568 G HN 0.499 nan 8.290 nan 0.000 0.527 569 L N 0.670 121.866 121.223 -0.045 0.000 2.399 569 L HA 0.678 5.016 4.340 -0.002 0.000 0.265 569 L C 1.684 178.534 176.870 -0.032 0.000 1.089 569 L CA -0.471 54.325 54.840 -0.073 0.000 0.802 569 L CB 0.881 42.874 42.059 -0.111 0.000 1.180 569 L HN 0.204 nan 8.230 nan 0.000 0.454 570 G N -1.207 107.571 108.800 -0.036 0.000 2.486 570 G HA2 0.018 3.976 3.960 -0.002 0.000 0.272 570 G HA3 0.018 3.976 3.960 -0.002 0.000 0.272 570 G C -0.585 174.348 174.900 0.055 0.000 1.426 570 G CA -0.242 44.867 45.100 0.014 0.000 1.058 570 G HN 0.686 nan 8.290 nan 0.000 0.531 571 H N -0.546 118.526 119.070 0.002 0.000 2.848 571 H HA 0.285 4.839 4.556 -0.002 0.000 0.341 571 H C -0.186 175.165 175.328 0.038 0.000 1.060 571 H CA -0.206 55.856 56.048 0.023 0.000 1.444 571 H CB 0.264 30.041 29.762 0.025 0.000 1.446 571 H HN 0.019 nan 8.280 nan 0.000 0.583 572 I N 5.014 125.268 120.570 -0.527 0.000 2.436 572 I HA 0.057 4.225 4.170 -0.002 0.000 0.289 572 I C 0.273 176.059 176.117 -0.551 0.000 1.010 572 I CA -0.792 60.300 61.300 -0.347 0.000 1.098 572 I CB 1.186 39.187 38.000 0.003 0.000 1.266 572 I HN 0.694 nan 8.210 nan 0.000 0.434 573 N N 6.995 125.513 118.700 -0.303 0.000 2.819 573 N HA 0.049 4.788 4.740 -0.002 0.000 0.284 573 N C 1.061 176.588 175.510 0.028 0.000 1.196 573 N CA -0.078 52.919 53.050 -0.089 0.000 1.114 573 N CB 0.439 38.949 38.487 0.037 0.000 1.437 573 N HN 0.407 nan 8.380 nan 0.000 0.518 574 M N 1.196 120.830 119.600 0.056 0.000 2.202 574 M HA -0.202 4.276 4.480 -0.002 0.000 0.262 574 M C 1.849 178.274 176.300 0.208 0.000 1.063 574 M CA 1.196 56.605 55.300 0.182 0.000 1.097 574 M CB -0.567 32.113 32.600 0.133 0.000 1.382 574 M HN 0.583 nan 8.290 nan 0.000 0.413 575 M N -0.365 119.311 119.600 0.127 0.000 2.099 575 M HA -0.217 4.262 4.480 -0.002 0.000 0.262 575 M C 2.028 178.386 176.300 0.097 0.000 1.067 575 M CA 1.754 57.120 55.300 0.110 0.000 1.124 575 M CB -0.236 32.414 32.600 0.083 0.000 1.353 575 M HN 0.227 nan 8.290 nan 0.000 0.410 576 E N 0.001 120.243 120.200 0.070 0.000 2.106 576 E HA -0.200 4.148 4.350 -0.002 0.000 0.192 576 E C 1.925 178.522 176.600 -0.005 0.000 0.984 576 E CA 0.881 57.301 56.400 0.034 0.000 0.806 576 E CB -0.048 29.669 29.700 0.029 0.000 0.750 576 E HN 0.383 nan 8.360 nan 0.000 0.458 577 L N -0.241 120.975 121.223 -0.012 0.000 2.083 577 L HA -0.125 4.213 4.340 -0.002 0.000 0.209 577 L C 1.478 178.121 176.870 -0.377 0.000 1.083 577 L CA 1.689 56.424 54.840 -0.175 0.000 0.752 577 L CB -0.235 41.720 42.059 -0.173 0.000 0.899 577 L HN 0.079 nan 8.230 nan 0.000 0.433 578 F N -1.642 118.280 119.950 -0.047 0.000 2.695 578 F HA 0.275 4.800 4.527 -0.003 0.000 0.303 578 F C 1.444 177.221 175.800 -0.037 0.000 1.091 578 F CA -0.079 57.886 58.000 -0.058 0.000 1.300 578 F CB -0.175 38.772 39.000 -0.087 0.000 1.071 578 F HN -0.103 nan 8.300 nan 0.000 0.578 579 S N 1.508 117.259 115.700 0.085 0.000 2.544 579 S HA 0.186 4.655 4.470 -0.002 0.000 0.290 579 S C -0.248 174.390 174.600 0.063 0.000 1.276 579 S CA -0.099 58.138 58.200 0.062 0.000 1.075 579 S CB -0.285 62.937 63.200 0.036 0.000 0.849 579 S HN 0.193 nan 8.310 nan 0.000 0.494 580 I N 4.784 125.394 120.570 0.067 0.000 2.390 580 I HA 0.237 4.405 4.170 -0.002 0.000 0.283 580 I C 0.106 176.325 176.117 0.169 0.000 1.016 580 I CA -0.237 61.122 61.300 0.098 0.000 1.151 580 I CB 1.737 39.660 38.000 -0.129 0.000 1.293 580 I HN 0.589 nan 8.210 nan 0.000 0.458 581 S N 5.837 121.732 115.700 0.324 0.000 2.499 581 S HA 0.262 4.731 4.470 -0.002 0.000 0.279 581 S C 1.139 175.952 174.600 0.355 0.000 1.219 581 S CA -0.529 57.833 58.200 0.270 0.000 1.062 581 S CB 1.258 64.587 63.200 0.215 0.000 0.978 581 S HN 0.717 nan 8.310 nan 0.000 0.489 582 K N 2.891 123.419 120.400 0.213 0.000 2.032 582 K HA -0.174 4.144 4.320 -0.002 0.000 0.209 582 K C 1.896 178.606 176.600 0.184 0.000 1.048 582 K CA 1.836 58.234 56.287 0.185 0.000 0.927 582 K CB -0.282 32.281 32.500 0.104 0.000 0.712 582 K HN 0.896 nan 8.250 nan 0.000 0.441 583 E N -0.251 120.038 120.200 0.148 0.000 2.051 583 E HA -0.223 4.126 4.350 -0.002 0.000 0.192 583 E C 1.976 178.624 176.600 0.081 0.000 0.991 583 E CA 1.260 57.719 56.400 0.097 0.000 0.799 583 E CB -0.236 29.513 29.700 0.082 0.000 0.748 583 E HN 0.331 nan 8.360 nan 0.000 0.449 584 F N -0.229 119.718 119.950 -0.005 0.000 2.095 584 F HA -0.190 4.335 4.527 -0.003 0.000 0.298 584 F C 1.656 177.293 175.800 -0.272 0.000 1.104 584 F CA 1.815 59.723 58.000 -0.153 0.000 1.232 584 F CB -0.384 38.495 39.000 -0.202 0.000 0.987 584 F HN 0.091 nan 8.300 nan 0.000 0.475 585 W N 0.701 122.075 121.300 0.124 0.000 2.584 585 W HA -0.071 4.588 4.660 -0.002 0.000 0.264 585 W C 2.209 178.702 176.519 -0.044 0.000 1.264 585 W CA 0.738 58.105 57.345 0.037 0.000 1.306 585 W CB -0.417 29.102 29.460 0.098 0.000 1.110 585 W HN -0.037 nan 8.180 nan 0.000 0.606 586 D N 0.411 120.870 120.400 0.098 0.000 2.084 586 D HA -0.150 4.489 4.640 -0.002 0.000 0.196 586 D C 1.835 178.094 176.300 -0.068 0.000 0.985 586 D CA 1.420 55.438 54.000 0.029 0.000 0.826 586 D CB -0.262 40.552 40.800 0.023 0.000 0.978 586 D HN 0.160 nan 8.370 nan 0.000 0.456 587 K N 0.434 120.728 120.400 -0.178 0.000 2.103 587 K HA -0.179 4.139 4.320 -0.002 0.000 0.207 587 K C 2.048 178.450 176.600 -0.329 0.000 1.048 587 K CA 1.000 57.132 56.287 -0.259 0.000 0.930 587 K CB -0.015 32.276 32.500 -0.350 0.000 0.716 587 K HN -0.001 nan 8.250 nan 0.000 0.444 588 E N 0.995 120.894 120.200 -0.502 0.000 2.031 588 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 588 E C 1.861 178.386 176.600 -0.125 0.000 0.994 588 E CA 0.950 57.059 56.400 -0.485 0.000 0.800 588 E CB -0.302 28.883 29.700 -0.858 0.000 0.752 588 E HN 0.048 nan 8.360 nan 0.000 0.447 589 V N 0.578 120.513 119.914 0.034 0.000 2.490 589 V HA -0.240 3.879 4.120 -0.002 0.000 0.250 589 V C 1.721 177.869 176.094 0.091 0.000 1.061 589 V CA 2.283 64.671 62.300 0.147 0.000 1.064 589 V CB -0.322 31.616 31.823 0.191 0.000 0.670 589 V HN 0.327 nan 8.190 nan 0.000 0.461 590 E N -0.522 119.694 120.200 0.026 0.000 2.077 590 E HA -0.252 4.096 4.350 -0.002 0.000 0.193 590 E C 2.041 178.658 176.600 0.029 0.000 0.989 590 E CA 1.520 57.931 56.400 0.018 0.000 0.800 590 E CB -0.261 29.430 29.700 -0.015 0.000 0.746 590 E HN 0.701 nan 8.360 nan 0.000 0.452 591 D N 0.770 121.174 120.400 0.005 0.000 2.117 591 D HA -0.144 4.494 4.640 -0.002 0.000 0.198 591 D C 2.007 178.387 176.300 0.133 0.000 0.982 591 D CA 0.857 54.883 54.000 0.042 0.000 0.828 591 D CB 0.085 40.876 40.800 -0.014 0.000 0.967 591 D HN 0.145 nan 8.370 nan 0.000 0.464 592 I N 0.902 121.562 120.570 0.150 0.000 2.202 592 I HA -0.200 3.969 4.170 -0.002 0.000 0.242 592 I C 2.636 178.891 176.117 0.230 0.000 1.091 592 I CA 0.975 62.419 61.300 0.241 0.000 1.368 592 I CB -0.282 37.864 38.000 0.244 0.000 1.058 592 I HN 0.058 nan 8.210 nan 0.000 0.410 593 E N 1.363 121.673 120.200 0.183 0.000 2.038 593 E HA -0.300 4.048 4.350 -0.002 0.000 0.195 593 E C 2.293 178.946 176.600 0.087 0.000 1.000 593 E CA 1.486 57.968 56.400 0.136 0.000 0.803 593 E CB -0.026 29.729 29.700 0.092 0.000 0.750 593 E HN 0.192 nan 8.360 nan 0.000 0.448 594 K N -0.162 120.281 120.400 0.072 0.000 2.020 594 K HA -0.240 4.079 4.320 -0.002 0.000 0.212 594 K C 2.252 178.868 176.600 0.027 0.000 1.050 594 K CA 1.854 58.165 56.287 0.040 0.000 0.929 594 K CB -0.546 31.977 32.500 0.038 0.000 0.714 594 K HN 0.282 nan 8.250 nan 0.000 0.443 595 Y N 1.525 121.759 120.300 -0.109 0.000 2.097 595 Y HA -0.222 4.326 4.550 -0.003 0.000 0.282 595 Y C 2.051 177.874 175.900 -0.127 0.000 1.152 595 Y CA 1.714 59.673 58.100 -0.234 0.000 1.136 595 Y CB -0.378 37.687 38.460 -0.658 0.000 0.975 595 Y HN 0.011 nan 8.280 nan 0.000 0.498 596 L N -1.297 119.878 121.223 -0.080 0.000 2.072 596 L HA -0.175 4.163 4.340 -0.002 0.000 0.205 596 L C 2.374 179.178 176.870 -0.111 0.000 1.079 596 L CA 0.967 55.745 54.840 -0.104 0.000 0.752 596 L CB -0.739 41.383 42.059 0.105 0.000 0.906 596 L HN 0.106 nan 8.230 nan 0.000 0.436 597 V N -0.243 119.638 119.914 -0.055 0.000 2.343 597 V HA -0.282 3.836 4.120 -0.002 0.000 0.247 597 V C 2.086 178.129 176.094 -0.086 0.000 1.051 597 V CA 1.875 64.144 62.300 -0.052 0.000 1.036 597 V CB -0.429 31.382 31.823 -0.021 0.000 0.654 597 V HN 0.398 nan 8.190 nan 0.000 0.451 598 D N -0.804 119.530 120.400 -0.110 0.000 2.091 598 D HA -0.111 4.528 4.640 -0.002 0.000 0.199 598 D C 2.405 178.611 176.300 -0.157 0.000 0.980 598 D CA 1.042 54.974 54.000 -0.115 0.000 0.831 598 D CB -0.131 40.609 40.800 -0.101 0.000 0.987 598 D HN 0.315 nan 8.370 nan 0.000 0.460 599 Q N -0.162 119.477 119.800 -0.267 0.000 2.212 599 Q HA 0.021 4.360 4.340 -0.002 0.000 0.199 599 Q C 2.160 178.042 176.000 -0.196 0.000 0.950 599 Q CA 0.525 56.156 55.803 -0.287 0.000 0.863 599 Q CB 0.487 28.890 28.738 -0.559 0.000 0.944 599 Q HN 0.231 nan 8.270 nan 0.000 0.465 600 V N 0.522 120.330 119.914 -0.176 0.000 2.949 600 V HA -0.022 4.096 4.120 -0.002 0.000 0.245 600 V C 1.195 177.226 176.094 -0.106 0.000 1.086 600 V CA 0.697 62.925 62.300 -0.120 0.000 1.097 600 V CB -0.399 31.351 31.823 -0.122 0.000 0.762 600 V HN 0.317 nan 8.190 nan 0.000 0.470 601 N N 0.993 119.635 118.700 -0.097 0.000 1.293 601 N HA -0.380 4.358 4.740 -0.002 0.000 0.140 601 N C 1.193 176.664 175.510 -0.066 0.000 0.753 601 N CA 2.571 55.575 53.050 -0.076 0.000 0.979 601 N CB -1.545 36.897 38.487 -0.076 0.000 1.228 601 N HN 0.389 nan 8.380 nan 0.000 0.509 602 A N -0.444 122.338 122.820 -0.063 0.000 2.121 602 A HA -0.031 4.288 4.320 -0.002 0.000 0.218 602 A C 1.226 178.776 177.584 -0.058 0.000 1.154 602 A CA 1.956 53.960 52.037 -0.054 0.000 0.679 602 A CB -0.316 18.654 19.000 -0.051 0.000 0.795 602 A HN 0.593 nan 8.150 nan 0.000 0.458 603 D N -0.905 119.451 120.400 -0.073 0.000 2.349 603 D HA 0.106 4.744 4.640 -0.002 0.000 0.214 603 D C 0.019 176.258 176.300 -0.101 0.000 1.063 603 D CA -0.108 53.844 54.000 -0.081 0.000 0.847 603 D CB 0.107 40.852 40.800 -0.091 0.000 0.933 603 D HN 0.325 nan 8.370 nan 0.000 0.513 604 L N 2.819 123.985 121.223 -0.094 0.000 2.456 604 L HA 0.198 4.537 4.340 -0.002 0.000 0.277 604 L C -2.316 174.520 176.870 -0.058 0.000 1.124 604 L CA -1.169 53.614 54.840 -0.095 0.000 0.880 604 L CB 0.288 42.306 42.059 -0.067 0.000 1.192 604 L HN -0.277 nan 8.230 nan 0.000 0.463 605 P HA 0.020 nan 4.420 nan 0.000 0.268 605 P C 0.706 178.008 177.300 0.002 0.000 1.205 605 P CA -0.240 62.851 63.100 -0.016 0.000 0.771 605 P CB 0.400 32.101 31.700 0.000 0.000 0.858 606 C N 1.183 120.487 119.300 0.007 0.000 2.432 606 C HA -0.043 4.415 4.460 -0.002 0.000 0.282 606 C C 1.949 176.949 174.990 0.018 0.000 1.388 606 C CA 0.347 59.370 59.018 0.008 0.000 1.777 606 C CB -1.642 26.100 27.740 0.005 0.000 1.882 606 C HN 0.576 nan 8.230 nan 0.000 0.520 607 E N 1.104 121.325 120.200 0.035 0.000 2.110 607 E HA -0.126 4.223 4.350 -0.002 0.000 0.193 607 E C 2.137 178.766 176.600 0.049 0.000 0.988 607 E CA 1.376 57.807 56.400 0.051 0.000 0.804 607 E CB -0.022 29.729 29.700 0.086 0.000 0.745 607 E HN 0.643 nan 8.360 nan 0.000 0.458 608 I N 1.049 121.654 120.570 0.060 0.000 2.286 608 I HA -0.175 3.994 4.170 -0.002 0.000 0.245 608 I C 2.009 178.154 176.117 0.047 0.000 1.104 608 I CA 1.247 62.603 61.300 0.094 0.000 1.397 608 I CB -1.114 36.955 38.000 0.115 0.000 1.072 608 I HN 0.143 nan 8.210 nan 0.000 0.417 609 E N 0.828 121.041 120.200 0.023 0.000 2.097 609 E HA -0.236 4.113 4.350 -0.002 0.000 0.196 609 E C 2.364 178.942 176.600 -0.036 0.000 1.000 609 E CA 1.283 57.683 56.400 -0.000 0.000 0.804 609 E CB -0.138 29.560 29.700 -0.003 0.000 0.740 609 E HN 0.427 nan 8.360 nan 0.000 0.454 610 R N 0.522 121.000 120.500 -0.036 0.000 2.081 610 R HA -0.124 4.215 4.340 -0.002 0.000 0.235 610 R C 2.217 178.445 176.300 -0.121 0.000 1.131 610 R CA 1.013 57.078 56.100 -0.058 0.000 0.960 610 R CB -0.071 30.211 30.300 -0.030 0.000 0.856 610 R HN 0.135 nan 8.270 nan 0.000 0.436 611 E N 0.683 120.788 120.200 -0.159 0.000 2.153 611 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 611 E C 2.029 178.262 176.600 -0.611 0.000 0.988 611 E CA 0.980 57.168 56.400 -0.354 0.000 0.811 611 E CB -0.116 29.383 29.700 -0.335 0.000 0.746 611 E HN 0.410 nan 8.360 nan 0.000 0.466 612 I N 0.472 120.782 120.570 -0.435 0.000 2.252 612 I HA -0.253 3.915 4.170 -0.002 0.000 0.245 612 I C 2.457 178.467 176.117 -0.179 0.000 1.102 612 I CA 0.565 61.686 61.300 -0.299 0.000 1.385 612 I CB -0.211 37.778 38.000 -0.018 0.000 1.064 612 I HN 0.071 nan 8.210 nan 0.000 0.414 613 L N 1.204 122.347 121.223 -0.133 0.000 2.027 613 L HA -0.114 4.225 4.340 -0.002 0.000 0.206 613 L C 2.632 179.435 176.870 -0.112 0.000 1.074 613 L CA 2.059 56.844 54.840 -0.091 0.000 0.745 613 L CB -0.730 41.291 42.059 -0.064 0.000 0.898 613 L HN 0.186 nan 8.230 nan 0.000 0.433 614 A N -0.715 122.015 122.820 -0.150 0.000 1.948 614 A HA -0.244 4.074 4.320 -0.002 0.000 0.220 614 A C 2.234 179.714 177.584 -0.174 0.000 1.177 614 A CA 2.166 54.108 52.037 -0.158 0.000 0.636 614 A CB -1.005 17.885 19.000 -0.183 0.000 0.815 614 A HN 0.500 nan 8.150 nan 0.000 0.449 615 L N 0.570 121.667 121.223 -0.210 0.000 2.044 615 L HA -0.131 4.207 4.340 -0.002 0.000 0.205 615 L C 2.450 179.281 176.870 -0.065 0.000 1.075 615 L CA 2.699 57.448 54.840 -0.153 0.000 0.747 615 L CB -0.642 41.337 42.059 -0.133 0.000 0.903 615 L HN 0.550 nan 8.230 nan 0.000 0.435 616 K N -1.095 119.281 120.400 -0.040 0.000 2.103 616 K HA -0.227 4.092 4.320 -0.002 0.000 0.207 616 K C 1.939 178.525 176.600 -0.023 0.000 1.048 616 K CA 1.831 58.114 56.287 -0.006 0.000 0.930 616 K CB -0.659 31.842 32.500 0.002 0.000 0.716 616 K HN 0.492 nan 8.250 nan 0.000 0.444 617 Q N 0.801 120.573 119.800 -0.047 0.000 2.050 617 Q HA -0.075 4.263 4.340 -0.002 0.000 0.202 617 Q C 2.338 178.307 176.000 -0.053 0.000 0.980 617 Q CA 1.489 57.264 55.803 -0.048 0.000 0.840 617 Q CB -0.111 28.594 28.738 -0.056 0.000 0.898 617 Q HN 0.345 nan 8.270 nan 0.000 0.424 618 R N 0.274 120.727 120.500 -0.077 0.000 2.081 618 R HA -0.100 4.238 4.340 -0.002 0.000 0.235 618 R C 2.241 178.502 176.300 -0.065 0.000 1.131 618 R CA 1.187 57.234 56.100 -0.088 0.000 0.960 618 R CB -0.260 29.958 30.300 -0.137 0.000 0.856 618 R HN 0.279 nan 8.270 nan 0.000 0.436 619 I N 0.681 121.225 120.570 -0.043 0.000 2.315 619 I HA -0.264 3.904 4.170 -0.002 0.000 0.248 619 I C 2.493 178.615 176.117 0.008 0.000 1.117 619 I CA 1.339 62.637 61.300 -0.004 0.000 1.404 619 I CB -0.314 37.719 38.000 0.053 0.000 1.071 619 I HN 0.234 nan 8.210 nan 0.000 0.419 620 S N 0.203 115.902 115.700 -0.001 0.000 2.419 620 S HA -0.288 4.180 4.470 -0.002 0.000 0.235 620 S C 1.917 176.516 174.600 -0.003 0.000 1.019 620 S CA 1.255 59.456 58.200 0.001 0.000 0.982 620 S CB -0.393 62.804 63.200 -0.005 0.000 0.789 620 S HN 0.427 nan 8.310 nan 0.000 0.490 621 Q N 1.005 120.797 119.800 -0.013 0.000 2.444 621 Q HA 0.288 4.626 4.340 -0.002 0.000 0.206 621 Q C 0.825 176.820 176.000 -0.010 0.000 0.948 621 Q CA 0.118 55.912 55.803 -0.014 0.000 0.946 621 Q CB -0.072 28.651 28.738 -0.025 0.000 1.027 621 Q HN 0.905 nan 8.270 nan 0.000 0.513 622 M N 0.000 119.597 119.600 -0.005 0.000 2.572 622 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 622 M CA 0.000 55.301 55.300 0.001 0.000 0.988 622 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411