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 2vak_1_F DATA FIRST_RESID 10 DATA SEQUENCE TMARAIYDFF STPFGNRGLA TNRTQLSSLL SSSNSPWQXX XXXXXXXXXX DATA SEQUENCE XIVSTPEAPY PGSLMYQESM LHSATVPGVL GSRDAWRTFN VFGLSWTDEG DATA SEQUENCE LSGLVAAQDP PPAAPYQPAS AQWSDLLNYP RWANRRRELQ SKYPLLLRST DATA SEQUENCE LLSAMRAGPV LYVETWPNMI SGRLADWFMS QYGNNFVDMC ARLTQSCSNM DATA SEQUENCE PVEPDGNYDQ QMRALISLWL LSYIGVVNQT NTISGFYFSS KTRGQALDSW DATA SEQUENCE TLFYTTNTNR VQITQRHFAY VCARSPDWNV DKSWIAAANL TAIVMACRQP DATA SEQUENCE PVFANQGVIN QAQNRPGFSM NGGTPVHELN LLTTAQECIR QWVMAGLVSA DATA SEQUENCE AKGQALTQEA NDFSNLIQAD LGQIKAQDDA LYNQQPGYAR RIKPFVNGDW DATA SEQUENCE TPGMTAQALA VLATFTA 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 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.650 174.700 -0.084 0.000 1.109 10 T CA 0.000 62.040 62.100 -0.101 0.000 1.349 10 T CB 0.000 68.811 68.868 -0.095 0.000 0.612 11 M N 2.926 122.475 119.600 -0.085 0.000 2.120 11 M HA 0.697 5.177 4.480 -0.000 0.000 0.354 11 M C 0.552 176.807 176.300 -0.075 0.000 1.287 11 M CA -0.327 54.927 55.300 -0.076 0.000 1.103 11 M CB 0.974 33.528 32.600 -0.077 0.000 1.623 11 M HN 0.492 nan 8.290 nan 0.000 0.471 12 A N 4.656 127.437 122.820 -0.065 0.000 2.448 12 A HA 0.240 4.559 4.320 -0.000 0.000 0.239 12 A C 0.052 177.586 177.584 -0.083 0.000 1.080 12 A CA -0.243 51.757 52.037 -0.062 0.000 0.779 12 A CB 0.239 19.214 19.000 -0.042 0.000 1.026 12 A HN 0.920 nan 8.150 nan 0.000 0.499 13 R N 0.639 121.073 120.500 -0.110 0.000 2.389 13 R HA 0.481 4.821 4.340 -0.000 0.000 0.295 13 R C 0.346 176.514 176.300 -0.220 0.000 1.075 13 R CA 0.880 56.847 56.100 -0.222 0.000 1.005 13 R CB 0.689 30.779 30.300 -0.350 0.000 0.987 13 R HN 0.721 nan 8.270 nan 0.000 0.452 14 A N 5.514 128.198 122.820 -0.227 0.000 2.312 14 A HA 0.341 4.661 4.320 -0.000 0.000 0.215 14 A C 0.184 177.703 177.584 -0.109 0.000 1.256 14 A CA -0.231 51.749 52.037 -0.096 0.000 0.966 14 A CB 0.320 19.295 19.000 -0.042 0.000 1.053 14 A HN 0.589 nan 8.150 nan 0.000 0.510 15 I N 0.698 121.110 120.570 -0.264 0.000 2.362 15 I HA 0.303 4.473 4.170 -0.000 0.000 0.289 15 I C -1.365 174.564 176.117 -0.315 0.000 0.994 15 I CA -0.435 60.773 61.300 -0.154 0.000 1.158 15 I CB 1.206 39.165 38.000 -0.068 0.000 1.315 15 I HN 0.210 nan 8.210 nan 0.000 0.451 16 Y N 3.988 124.219 120.300 -0.115 0.000 2.944 16 Y HA 0.256 4.806 4.550 -0.000 0.000 0.335 16 Y C -0.081 175.876 175.900 0.095 0.000 1.075 16 Y CA -0.913 57.026 58.100 -0.269 0.000 1.240 16 Y CB 0.266 38.439 38.460 -0.478 0.000 1.167 16 Y HN 0.561 nan 8.280 nan 0.000 0.555 17 D N 1.346 121.976 120.400 0.383 0.000 2.348 17 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 17 D C -1.100 175.631 176.300 0.718 0.000 1.110 17 D CA -0.360 53.953 54.000 0.521 0.000 0.967 17 D CB 1.316 42.394 40.800 0.463 0.000 1.139 17 D HN 0.256 nan 8.370 nan 0.000 0.466 18 F N 1.087 121.338 119.950 0.502 0.000 2.556 18 F HA 0.522 5.049 4.527 -0.000 0.000 0.314 18 F C -1.906 173.990 175.800 0.160 0.000 1.106 18 F CA -1.357 56.838 58.000 0.325 0.000 0.911 18 F CB 1.217 40.380 39.000 0.273 0.000 1.190 18 F HN 0.219 nan 8.300 nan 0.000 0.448 19 F N 5.286 124.522 119.950 -1.189 0.000 2.426 19 F HA 0.537 5.064 4.527 -0.000 0.000 0.348 19 F C -0.093 174.915 175.800 -1.320 0.000 1.124 19 F CA -0.818 56.314 58.000 -1.446 0.000 1.008 19 F CB 1.207 39.167 39.000 -1.732 0.000 1.139 19 F HN 0.538 nan 8.300 nan 0.000 0.452 20 S N 3.198 118.176 115.700 -1.203 0.000 2.603 20 S HA 0.367 4.836 4.470 -0.000 0.000 0.268 20 S C -0.052 174.132 174.600 -0.693 0.000 1.317 20 S CA -0.697 57.110 58.200 -0.655 0.000 1.012 20 S CB 0.679 63.807 63.200 -0.120 0.000 0.926 20 S HN 0.668 nan 8.310 nan 0.000 0.539 21 T N 4.268 118.665 114.554 -0.261 0.000 2.867 21 T HA 0.265 4.615 4.350 -0.000 0.000 0.297 21 T C -2.402 172.218 174.700 -0.133 0.000 0.989 21 T CA -0.411 61.600 62.100 -0.150 0.000 1.159 21 T CB -0.057 68.793 68.868 -0.030 0.000 0.928 21 T HN 0.524 nan 8.240 nan 0.000 0.538 22 P HA 0.306 nan 4.420 nan 0.000 0.268 22 P C -0.680 176.624 177.300 0.006 0.000 1.205 22 P CA -0.224 62.766 63.100 -0.184 0.000 0.771 22 P CB 0.209 31.855 31.700 -0.091 0.000 0.858 23 F N -0.519 119.422 119.950 -0.015 0.000 2.662 23 F HA 0.832 5.358 4.527 -0.000 0.000 0.312 23 F C 0.406 176.251 175.800 0.074 0.000 1.113 23 F CA -0.972 57.035 58.000 0.013 0.000 0.951 23 F CB 0.634 39.666 39.000 0.054 0.000 1.344 23 F HN 0.356 nan 8.300 nan 0.000 0.462 24 G N 0.440 109.515 108.800 0.458 0.000 3.227 24 G HA2 0.123 4.083 3.960 -0.000 0.000 0.171 24 G HA3 0.123 4.083 3.960 -0.000 0.000 0.171 24 G C 0.168 175.335 174.900 0.445 0.000 1.463 24 G CA -0.396 44.936 45.100 0.386 0.000 1.016 24 G HN 0.606 nan 8.290 nan 0.000 0.594 25 N N 0.305 119.196 118.700 0.318 0.000 2.149 25 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 25 N C 1.703 177.273 175.510 0.099 0.000 1.019 25 N CA 0.732 53.876 53.050 0.157 0.000 0.857 25 N CB -0.020 38.504 38.487 0.061 0.000 0.997 25 N HN 0.275 nan 8.380 nan 0.000 0.426 26 R N 0.344 120.858 120.500 0.023 0.000 2.586 26 R HA 0.333 4.672 4.340 -0.000 0.000 0.336 26 R C 0.807 177.118 176.300 0.018 0.000 1.060 26 R CA 0.138 56.168 56.100 -0.117 0.000 1.079 26 R CB 0.145 30.178 30.300 -0.446 0.000 1.317 26 R HN 0.130 nan 8.270 nan 0.000 0.568 27 G N 1.474 110.359 108.800 0.142 0.000 2.681 27 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 27 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 27 G C -0.629 173.879 174.900 -0.654 0.000 1.353 27 G CA -0.639 44.271 45.100 -0.317 0.000 0.872 27 G HN 0.235 nan 8.290 nan 0.000 0.557 28 L N 0.901 121.432 121.223 -1.153 0.000 2.499 28 L HA 0.550 4.890 4.340 -0.000 0.000 0.273 28 L C 1.514 178.297 176.870 -0.145 0.000 1.195 28 L CA 1.129 55.591 54.840 -0.630 0.000 0.882 28 L CB 0.738 42.583 42.059 -0.357 0.000 1.133 28 L HN 1.722 nan 8.230 nan 0.000 0.483 29 A N 4.076 126.856 122.820 -0.067 0.000 3.202 29 A HA 0.480 4.800 4.320 -0.000 0.000 0.258 29 A C 0.379 177.882 177.584 -0.134 0.000 1.572 29 A CA 0.117 52.174 52.037 0.032 0.000 1.241 29 A CB -0.644 18.349 19.000 -0.012 0.000 1.127 29 A HN 0.775 nan 8.150 nan 0.000 0.648 30 T N -0.256 114.116 114.554 -0.303 0.000 2.778 30 T HA 0.631 4.981 4.350 -0.000 0.000 0.293 30 T C -1.135 173.164 174.700 -0.669 0.000 1.144 30 T CA -0.278 61.531 62.100 -0.486 0.000 1.010 30 T CB 1.147 69.677 68.868 -0.564 0.000 1.325 30 T HN 0.759 nan 8.240 nan 0.000 0.515 31 N N -0.334 117.982 118.700 -0.639 0.000 3.277 31 N HA 0.348 5.088 4.740 -0.000 0.000 0.278 31 N C 0.342 175.639 175.510 -0.354 0.000 1.544 31 N CA -0.937 51.812 53.050 -0.502 0.000 0.869 31 N CB 0.677 39.036 38.487 -0.214 0.000 1.584 31 N HN 0.536 nan 8.380 nan 0.000 0.564 32 R N -0.902 119.518 120.500 -0.133 0.000 2.115 32 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 32 R C 0.606 176.846 176.300 -0.099 0.000 1.111 32 R CA 2.120 58.179 56.100 -0.068 0.000 0.976 32 R CB -0.588 29.715 30.300 0.005 0.000 0.870 32 R HN 0.723 nan 8.270 nan 0.000 0.445 33 T N 0.483 114.975 114.554 -0.103 0.000 2.737 33 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 33 T C 1.677 176.305 174.700 -0.119 0.000 1.038 33 T CA 1.338 63.381 62.100 -0.094 0.000 1.144 33 T CB -0.180 68.640 68.868 -0.080 0.000 0.866 33 T HN 0.371 nan 8.240 nan 0.000 0.434 34 Q N 0.353 120.056 119.800 -0.161 0.000 2.084 34 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 34 Q C 2.292 178.191 176.000 -0.169 0.000 0.978 34 Q CA 1.155 56.856 55.803 -0.170 0.000 0.844 34 Q CB -0.242 28.366 28.738 -0.216 0.000 0.898 34 Q HN 0.488 nan 8.270 nan 0.000 0.426 35 L N -0.050 121.055 121.223 -0.196 0.000 2.093 35 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 35 L C 2.506 179.288 176.870 -0.147 0.000 1.085 35 L CA 0.821 55.550 54.840 -0.185 0.000 0.755 35 L CB -0.309 41.633 42.059 -0.194 0.000 0.904 35 L HN 0.164 nan 8.230 nan 0.000 0.435 36 S N -0.028 115.599 115.700 -0.121 0.000 2.368 36 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 36 S C 2.169 176.718 174.600 -0.085 0.000 1.030 36 S CA 1.612 59.754 58.200 -0.096 0.000 0.999 36 S CB -0.311 62.843 63.200 -0.075 0.000 0.844 36 S HN 0.621 nan 8.310 nan 0.000 0.459 37 S N 1.597 117.247 115.700 -0.084 0.000 2.465 37 S HA 0.012 4.482 4.470 -0.000 0.000 0.241 37 S C 1.490 176.049 174.600 -0.069 0.000 1.000 37 S CA 0.747 58.905 58.200 -0.069 0.000 0.964 37 S CB -0.578 62.581 63.200 -0.068 0.000 0.763 37 S HN 0.496 nan 8.310 nan 0.000 0.512 38 L N 0.340 121.509 121.223 -0.090 0.000 2.558 38 L HA 0.378 4.718 4.340 -0.000 0.000 0.225 38 L C 0.367 177.186 176.870 -0.086 0.000 1.128 38 L CA -0.081 54.704 54.840 -0.091 0.000 0.868 38 L CB -0.255 41.727 42.059 -0.128 0.000 1.006 38 L HN 0.260 nan 8.230 nan 0.000 0.454 39 L N -0.322 120.851 121.223 -0.083 0.000 2.357 39 L HA 0.264 4.604 4.340 -0.000 0.000 0.273 39 L C 0.992 177.837 176.870 -0.041 0.000 1.080 39 L CA -0.380 54.414 54.840 -0.077 0.000 0.803 39 L CB 1.388 43.396 42.059 -0.085 0.000 1.174 39 L HN 0.086 nan 8.230 nan 0.000 0.443 40 S N 0.190 115.876 115.700 -0.023 0.000 2.606 40 S HA 0.023 4.492 4.470 -0.000 0.000 0.257 40 S C 1.252 175.852 174.600 -0.000 0.000 1.327 40 S CA -0.063 58.137 58.200 -0.000 0.000 0.984 40 S CB 1.155 64.368 63.200 0.021 0.000 0.941 40 S HN 0.753 nan 8.310 nan 0.000 0.576 41 S N 0.543 116.247 115.700 0.007 0.000 2.423 41 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 41 S C 1.783 176.392 174.600 0.014 0.000 1.014 41 S CA 0.932 59.137 58.200 0.007 0.000 0.965 41 S CB -1.244 61.961 63.200 0.008 0.000 0.785 41 S HN 1.193 nan 8.310 nan 0.000 0.495 42 S N 1.739 117.453 115.700 0.024 0.000 2.607 42 S HA 0.102 4.571 4.470 -0.000 0.000 0.224 42 S C 0.510 175.135 174.600 0.041 0.000 0.969 42 S CA 0.278 58.499 58.200 0.035 0.000 0.927 42 S CB -0.706 62.522 63.200 0.047 0.000 0.772 42 S HN 0.498 nan 8.310 nan 0.000 0.533 43 N N 0.177 118.890 118.700 0.023 0.000 2.967 43 N HA -0.146 4.594 4.740 -0.000 0.000 0.241 43 N C -0.324 175.193 175.510 0.012 0.000 0.983 43 N CA 1.099 54.155 53.050 0.009 0.000 0.918 43 N CB -1.954 36.544 38.487 0.019 0.000 1.109 43 N HN 0.582 nan 8.380 nan 0.000 0.567 44 S N 1.269 116.989 115.700 0.033 0.000 2.489 44 S HA 0.425 4.894 4.470 -0.000 0.000 0.277 44 S C -1.291 173.261 174.600 -0.080 0.000 1.230 44 S CA -1.150 57.082 58.200 0.053 0.000 1.053 44 S CB 1.297 64.585 63.200 0.147 0.000 0.955 44 S HN 0.011 nan 8.310 nan 0.000 0.488 45 P HA 0.134 nan 4.420 nan 0.000 0.249 45 P C 0.151 177.229 177.300 -0.370 0.000 1.229 45 P CA 0.415 63.252 63.100 -0.439 0.000 0.788 45 P CB -0.096 31.191 31.700 -0.688 0.000 1.072 46 W N 0.522 121.902 121.300 0.133 0.000 2.996 46 W HA 0.138 4.798 4.660 -0.000 0.000 0.270 46 W C 0.875 177.428 176.519 0.058 0.000 1.280 46 W CA -0.397 57.005 57.345 0.094 0.000 1.549 46 W CB 0.044 29.547 29.460 0.071 0.000 1.079 46 W HN 0.017 nan 8.180 nan 0.000 0.629 62 V N 3.881 123.802 119.914 0.012 0.000 3.016 62 V HA 0.106 4.226 4.120 -0.000 0.000 0.344 62 V C 0.984 177.074 176.094 -0.006 0.000 1.457 62 V CA 0.904 63.206 62.300 0.004 0.000 1.568 62 V CB -0.810 31.018 31.823 0.008 0.000 1.224 62 V HN 0.758 nan 8.190 nan 0.000 0.450 63 S N 1.479 117.167 115.700 -0.019 0.000 2.690 63 S HA 0.743 5.212 4.470 -0.000 0.000 0.291 63 S C -0.075 174.499 174.600 -0.044 0.000 1.138 63 S CA -0.361 57.816 58.200 -0.037 0.000 1.013 63 S CB 2.083 65.240 63.200 -0.072 0.000 1.053 63 S HN 0.490 nan 8.310 nan 0.000 0.539 64 T N -0.017 114.508 114.554 -0.048 0.000 2.864 64 T HA 0.578 4.928 4.350 -0.000 0.000 0.299 64 T C -2.355 172.320 174.700 -0.043 0.000 1.166 64 T CA -1.810 60.267 62.100 -0.038 0.000 1.007 64 T CB 1.217 70.068 68.868 -0.028 0.000 1.219 64 T HN 0.357 nan 8.240 nan 0.000 0.506 65 P HA -0.066 nan 4.420 nan 0.000 0.218 65 P C 1.070 178.364 177.300 -0.009 0.000 1.148 65 P CA 0.904 63.993 63.100 -0.019 0.000 0.822 65 P CB 0.198 31.893 31.700 -0.009 0.000 0.784 66 E N -0.730 119.460 120.200 -0.018 0.000 2.478 66 E HA 0.151 4.501 4.350 -0.000 0.000 0.194 66 E C 0.608 177.199 176.600 -0.015 0.000 1.045 66 E CA 0.336 56.721 56.400 -0.025 0.000 0.868 66 E CB -0.090 29.582 29.700 -0.046 0.000 0.885 66 E HN 0.111 nan 8.360 nan 0.000 0.505 67 A N 2.556 125.371 122.820 -0.008 0.000 3.266 67 A HA 0.352 4.672 4.320 -0.000 0.000 0.310 67 A C -2.053 175.528 177.584 -0.005 0.000 1.066 67 A CA -1.035 51.011 52.037 0.014 0.000 0.839 67 A CB 0.878 19.883 19.000 0.008 0.000 1.192 67 A HN -0.102 nan 8.150 nan 0.000 0.496 68 P HA -0.065 nan 4.420 nan 0.000 0.225 68 P C -0.257 176.796 177.300 -0.412 0.000 1.148 68 P CA 1.287 64.267 63.100 -0.200 0.000 0.779 68 P CB -0.009 31.569 31.700 -0.204 0.000 0.780 69 Y N -1.889 118.400 120.300 -0.018 0.000 2.570 69 Y HA 0.351 4.901 4.550 -0.000 0.000 0.345 69 Y C -1.435 174.456 175.900 -0.015 0.000 1.014 69 Y CA -2.545 55.537 58.100 -0.030 0.000 1.063 69 Y CB 0.580 38.982 38.460 -0.096 0.000 1.272 69 Y HN -0.348 nan 8.280 nan 0.000 0.477 70 P HA -0.167 nan 4.420 nan 0.000 0.216 70 P C 1.338 178.718 177.300 0.134 0.000 1.153 70 P CA 2.277 65.461 63.100 0.140 0.000 0.858 70 P CB 0.107 31.904 31.700 0.162 0.000 0.789 71 G N -1.389 107.439 108.800 0.048 0.000 2.744 71 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.211 71 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.211 71 G C 1.547 176.482 174.900 0.059 0.000 1.143 71 G CA 0.332 45.424 45.100 -0.014 0.000 0.788 71 G HN 0.178 nan 8.290 nan 0.000 0.534 72 S N 0.457 116.204 115.700 0.079 0.000 2.356 72 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 72 S C 2.295 176.981 174.600 0.144 0.000 1.032 72 S CA 0.813 59.086 58.200 0.122 0.000 1.005 72 S CB -0.222 63.047 63.200 0.115 0.000 0.867 72 S HN 0.367 nan 8.310 nan 0.000 0.449 73 L N 0.886 122.177 121.223 0.113 0.000 2.017 73 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 73 L C 2.619 179.548 176.870 0.099 0.000 1.073 73 L CA 1.231 56.119 54.840 0.080 0.000 0.745 73 L CB -0.597 41.500 42.059 0.064 0.000 0.894 73 L HN 0.333 nan 8.230 nan 0.000 0.432 74 M N -1.360 118.345 119.600 0.176 0.000 2.089 74 M HA -0.314 4.166 4.480 -0.000 0.000 0.257 74 M C 2.464 178.890 176.300 0.209 0.000 1.071 74 M CA 2.166 57.594 55.300 0.213 0.000 1.096 74 M CB -0.612 32.188 32.600 0.333 0.000 1.330 74 M HN 0.223 nan 8.290 nan 0.000 0.403 75 Y N 0.925 121.304 120.300 0.132 0.000 2.220 75 Y HA -0.198 4.351 4.550 -0.000 0.000 0.291 75 Y C 2.305 178.213 175.900 0.014 0.000 1.129 75 Y CA 1.683 59.841 58.100 0.097 0.000 1.161 75 Y CB -0.358 38.173 38.460 0.119 0.000 0.997 75 Y HN 0.266 nan 8.280 nan 0.000 0.522 76 Q N -0.147 119.609 119.800 -0.072 0.000 2.167 76 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 76 Q C 1.980 177.821 176.000 -0.265 0.000 0.970 76 Q CA 1.680 57.356 55.803 -0.211 0.000 0.855 76 Q CB -0.107 28.571 28.738 -0.099 0.000 0.911 76 Q HN 0.616 nan 8.270 nan 0.000 0.438 77 E N 0.423 120.491 120.200 -0.220 0.000 2.107 77 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 77 E C 2.207 178.467 176.600 -0.567 0.000 0.982 77 E CA 1.193 57.363 56.400 -0.384 0.000 0.809 77 E CB 0.003 29.549 29.700 -0.257 0.000 0.756 77 E HN 0.300 nan 8.360 nan 0.000 0.459 78 S N 0.979 116.516 115.700 -0.271 0.000 2.382 78 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 78 S C 2.090 176.613 174.600 -0.129 0.000 1.027 78 S CA 1.031 59.169 58.200 -0.103 0.000 0.991 78 S CB -0.262 62.925 63.200 -0.021 0.000 0.823 78 S HN 0.161 nan 8.310 nan 0.000 0.469 79 M N 0.380 119.797 119.600 -0.305 0.000 2.175 79 M HA 0.045 4.525 4.480 -0.000 0.000 0.264 79 M C 2.311 178.537 176.300 -0.124 0.000 1.063 79 M CA 1.157 56.321 55.300 -0.226 0.000 1.119 79 M CB -0.662 31.717 32.600 -0.368 0.000 1.377 79 M HN 0.405 nan 8.290 nan 0.000 0.415 80 L N 0.182 121.274 121.223 -0.219 0.000 2.046 80 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 80 L C 2.142 179.001 176.870 -0.017 0.000 1.077 80 L CA 2.120 56.855 54.840 -0.175 0.000 0.747 80 L CB -0.719 41.163 42.059 -0.296 0.000 0.896 80 L HN 0.296 nan 8.230 nan 0.000 0.432 81 H N -1.762 117.333 119.070 0.042 0.000 2.363 81 H HA -0.051 4.504 4.556 -0.000 0.000 0.301 81 H C 2.219 177.604 175.328 0.094 0.000 1.074 81 H CA 0.978 57.056 56.048 0.049 0.000 1.354 81 H CB -0.009 29.825 29.762 0.120 0.000 1.397 81 H HN 0.345 nan 8.280 nan 0.000 0.516 82 S N 0.564 116.516 115.700 0.419 0.000 2.399 82 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 82 S C 2.369 177.210 174.600 0.402 0.000 1.022 82 S CA 0.810 59.293 58.200 0.470 0.000 0.983 82 S CB -0.146 63.260 63.200 0.343 0.000 0.803 82 S HN 0.528 nan 8.310 nan 0.000 0.480 83 A N 1.418 124.443 122.820 0.342 0.000 1.898 83 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 83 A C 2.386 180.253 177.584 0.471 0.000 1.183 83 A CA 1.791 54.093 52.037 0.443 0.000 0.622 83 A CB -0.821 18.420 19.000 0.402 0.000 0.824 83 A HN 0.606 nan 8.150 nan 0.000 0.444 84 T N -4.349 110.400 114.554 0.326 0.000 3.000 84 T HA 0.156 4.505 4.350 -0.000 0.000 0.248 84 T C 1.571 176.443 174.700 0.288 0.000 1.034 84 T CA 0.970 63.279 62.100 0.348 0.000 1.060 84 T CB -0.040 68.917 68.868 0.147 0.000 0.983 84 T HN 0.006 nan 8.240 nan 0.000 0.482 85 V N 2.375 122.377 119.914 0.148 0.000 2.374 85 V HA 0.109 4.229 4.120 -0.000 0.000 0.241 85 V C -0.478 175.503 176.094 -0.189 0.000 1.034 85 V CA 0.714 62.982 62.300 -0.053 0.000 1.037 85 V CB -1.234 30.540 31.823 -0.082 0.000 0.682 85 V HN 0.287 nan 8.190 nan 0.000 0.463 86 P HA -0.143 nan 4.420 nan 0.000 0.216 86 P C 1.617 178.809 177.300 -0.181 0.000 1.150 86 P CA 1.944 65.043 63.100 -0.002 0.000 0.843 86 P CB -0.303 31.538 31.700 0.235 0.000 0.787 87 G N -0.975 107.498 108.800 -0.545 0.000 2.534 87 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.217 87 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.217 87 G C 1.346 175.907 174.900 -0.565 0.000 1.128 87 G CA 0.228 44.811 45.100 -0.862 0.000 0.784 87 G HN 0.276 nan 8.290 nan 0.000 0.542 88 V N 0.388 119.914 119.914 -0.648 0.000 3.621 88 V HA 0.288 4.408 4.120 -0.000 0.000 0.285 88 V C 2.090 178.057 176.094 -0.212 0.000 1.346 88 V CA 0.119 62.106 62.300 -0.521 0.000 1.104 88 V CB 0.156 31.517 31.823 -0.769 0.000 0.913 88 V HN 0.349 nan 8.190 nan 0.000 0.432 89 L N -0.027 121.106 121.223 -0.150 0.000 2.478 89 L HA 0.124 4.464 4.340 -0.000 0.000 0.223 89 L C 2.431 179.350 176.870 0.081 0.000 1.140 89 L CA 1.069 55.929 54.840 0.035 0.000 0.842 89 L CB -0.692 41.389 42.059 0.036 0.000 0.953 89 L HN 0.446 nan 8.230 nan 0.000 0.452 90 G N -0.174 108.652 108.800 0.043 0.000 2.498 90 G HA2 0.126 4.086 3.960 -0.000 0.000 0.219 90 G HA3 0.126 4.086 3.960 -0.000 0.000 0.219 90 G C 0.602 175.516 174.900 0.022 0.000 1.119 90 G CA 0.944 46.070 45.100 0.044 0.000 0.766 90 G HN 0.532 nan 8.290 nan 0.000 0.552 91 S N -2.186 113.522 115.700 0.013 0.000 2.718 91 S HA 0.472 4.942 4.470 -0.000 0.000 0.271 91 S C 0.578 175.123 174.600 -0.091 0.000 0.999 91 S CA -0.020 58.151 58.200 -0.049 0.000 0.899 91 S CB -0.051 nan 63.200 nan 0.000 1.148 91 S HN 0.006 nan 8.310 nan 0.000 0.463 92 R N -0.073 120.341 120.500 -0.145 0.000 2.127 92 R HA -0.038 4.302 4.340 -0.000 0.000 0.238 92 R C -0.083 176.262 176.300 0.076 0.000 1.134 92 R CA 1.760 57.774 56.100 -0.143 0.000 0.975 92 R CB 0.012 30.238 30.300 -0.123 0.000 0.865 92 R HN 0.688 nan 8.270 nan 0.000 0.447 93 D N -0.981 119.428 120.400 0.014 0.000 2.440 93 D HA 0.135 4.775 4.640 -0.000 0.000 0.216 93 D C 1.033 177.231 176.300 -0.171 0.000 1.150 93 D CA 0.133 54.071 54.000 -0.104 0.000 0.832 93 D CB 0.792 41.505 40.800 -0.145 0.000 0.992 93 D HN 0.142 nan 8.370 nan 0.000 0.502 94 A N 1.696 124.520 122.820 0.006 0.000 1.917 94 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 94 A C 2.060 179.705 177.584 0.101 0.000 1.182 94 A CA 1.108 53.174 52.037 0.049 0.000 0.633 94 A CB -1.227 17.813 19.000 0.065 0.000 0.819 94 A HN 0.586 nan 8.150 nan 0.000 0.448 95 W N 0.403 121.756 121.300 0.088 0.000 2.387 95 W HA -0.160 4.500 4.660 -0.000 0.000 0.272 95 W C 1.649 178.299 176.519 0.218 0.000 1.224 95 W CA 0.897 58.346 57.345 0.174 0.000 1.210 95 W CB -0.677 28.833 29.460 0.085 0.000 1.125 95 W HN 0.286 nan 8.180 nan 0.000 0.572 96 R N 1.032 121.014 120.500 -0.864 0.000 2.088 96 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 96 R C 2.635 178.771 176.300 -0.273 0.000 1.136 96 R CA 3.477 59.022 56.100 -0.924 0.000 0.926 96 R CB -0.905 28.894 30.300 -0.835 0.000 0.837 96 R HN 0.301 nan 8.270 nan 0.000 0.429 97 T N -2.465 112.012 114.554 -0.129 0.000 3.060 97 T HA 0.079 4.429 4.350 -0.000 0.000 0.249 97 T C 0.490 175.221 174.700 0.052 0.000 1.079 97 T CA -0.468 61.612 62.100 -0.032 0.000 1.013 97 T CB -0.151 68.689 68.868 -0.046 0.000 0.975 97 T HN 0.100 nan 8.240 nan 0.000 0.518 98 F N 4.415 124.375 119.950 0.018 0.000 2.623 98 F HA 0.321 4.848 4.527 -0.000 0.000 0.383 98 F C 0.157 175.999 175.800 0.070 0.000 1.077 98 F CA -0.352 57.691 58.000 0.070 0.000 1.268 98 F CB 0.128 39.212 39.000 0.140 0.000 1.053 98 F HN 0.523 nan 8.300 nan 0.000 0.571 99 N N 4.298 122.450 118.700 -0.913 0.000 2.405 99 N HA 0.609 5.349 4.740 -0.000 0.000 0.274 99 N C -2.219 172.794 175.510 -0.828 0.000 1.170 99 N CA -0.991 51.643 53.050 -0.694 0.000 0.848 99 N CB 2.219 40.533 38.487 -0.288 0.000 1.629 99 N HN 0.571 nan 8.380 nan 0.000 0.481 100 V N 2.215 121.820 119.914 -0.515 0.000 2.891 100 V HA 0.511 4.631 4.120 -0.000 0.000 0.304 100 V C -0.936 175.072 176.094 -0.143 0.000 1.171 100 V CA -0.617 61.480 62.300 -0.338 0.000 0.943 100 V CB 0.650 32.406 31.823 -0.111 0.000 1.037 100 V HN 0.805 nan 8.190 nan 0.000 0.427 101 F N 4.635 124.521 119.950 -0.107 0.000 3.097 101 F HA -0.156 4.370 4.527 -0.000 0.000 0.278 101 F C 1.599 177.337 175.800 -0.103 0.000 0.917 101 F CA 1.905 59.846 58.000 -0.098 0.000 0.962 101 F CB -1.440 37.505 39.000 -0.092 0.000 0.964 101 F HN 1.448 nan 8.300 nan 0.000 0.668 102 G N -0.416 108.376 108.800 -0.013 0.000 2.147 102 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 102 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 102 G C -0.146 174.726 174.900 -0.045 0.000 1.005 102 G CA 0.143 45.224 45.100 -0.033 0.000 0.713 102 G HN 0.585 nan 8.290 nan 0.000 0.515 103 L N -0.256 120.924 121.223 -0.071 0.000 2.370 103 L HA 0.832 5.172 4.340 -0.000 0.000 0.266 103 L C 0.043 176.841 176.870 -0.119 0.000 1.002 103 L CA -0.951 53.831 54.840 -0.097 0.000 0.818 103 L CB 2.458 44.442 42.059 -0.125 0.000 1.325 103 L HN 0.091 nan 8.230 nan 0.000 0.418 104 S N -0.293 115.360 115.700 -0.077 0.000 2.570 104 S HA 0.536 5.006 4.470 -0.000 0.000 0.286 104 S C -1.412 173.223 174.600 0.058 0.000 1.099 104 S CA -0.656 57.570 58.200 0.044 0.000 0.913 104 S CB 1.385 64.654 63.200 0.117 0.000 1.085 104 S HN 0.377 nan 8.310 nan 0.000 0.480 105 W N 1.453 122.935 121.300 0.304 0.000 2.202 105 W HA 0.216 4.875 4.660 -0.000 0.000 0.332 105 W C 1.820 178.493 176.519 0.256 0.000 1.263 105 W CA -0.236 57.250 57.345 0.235 0.000 1.223 105 W CB 0.516 30.106 29.460 0.216 0.000 1.128 105 W HN 0.841 nan 8.180 nan 0.000 0.573 106 T N -2.367 112.413 114.554 0.377 0.000 3.081 106 T HA -0.004 4.346 4.350 -0.000 0.000 0.255 106 T C -0.108 174.567 174.700 -0.042 0.000 1.113 106 T CA 0.618 62.853 62.100 0.226 0.000 1.082 106 T CB -0.238 68.720 68.868 0.149 0.000 0.939 106 T HN 0.492 nan 8.240 nan 0.000 0.506 107 D N -0.854 119.285 120.400 -0.436 0.000 2.671 107 D HA 0.137 4.777 4.640 -0.000 0.000 0.273 107 D C 0.347 175.816 176.300 -1.386 0.000 1.264 107 D CA -0.718 52.663 54.000 -1.032 0.000 0.788 107 D CB 1.091 41.631 40.800 -0.432 0.000 1.324 107 D HN 0.021 nan 8.370 nan 0.000 0.424 108 E N 0.102 119.445 120.200 -1.427 0.000 2.204 108 E HA -0.049 4.300 4.350 -0.000 0.000 0.194 108 E C 1.741 178.037 176.600 -0.507 0.000 0.989 108 E CA 1.111 56.909 56.400 -1.004 0.000 0.824 108 E CB -0.446 28.950 29.700 -0.506 0.000 0.756 108 E HN 0.598 nan 8.360 nan 0.000 0.477 109 G N 0.667 109.222 108.800 -0.409 0.000 2.776 109 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.209 109 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.209 109 G C 0.742 175.491 174.900 -0.253 0.000 1.145 109 G CA -0.016 44.938 45.100 -0.243 0.000 0.791 109 G HN 0.355 nan 8.290 nan 0.000 0.530 110 L N 0.789 121.767 121.223 -0.408 0.000 3.739 110 L HA -0.257 4.083 4.340 -0.000 0.000 0.442 110 L C 2.102 179.075 176.870 0.172 0.000 1.241 110 L CA 0.214 54.756 54.840 -0.496 0.000 0.819 110 L CB -2.314 39.025 42.059 -1.199 0.000 1.679 110 L HN 0.454 nan 8.230 nan 0.000 0.889 111 S N -1.671 114.161 115.700 0.220 0.000 2.470 111 S HA 0.279 4.749 4.470 -0.000 0.000 0.225 111 S C 0.891 175.751 174.600 0.432 0.000 1.006 111 S CA 0.548 58.946 58.200 0.330 0.000 0.934 111 S CB 0.788 64.070 63.200 0.138 0.000 0.778 111 S HN 0.707 nan 8.310 nan 0.000 0.517 112 G N 0.219 109.276 108.800 0.427 0.000 2.718 112 G HA2 0.604 4.564 3.960 -0.000 0.000 0.295 112 G HA3 0.604 4.564 3.960 -0.000 0.000 0.295 112 G C -1.745 173.284 174.900 0.214 0.000 1.421 112 G CA -0.952 44.313 45.100 0.274 0.000 0.902 112 G HN 0.281 nan 8.290 nan 0.000 0.501 113 L N 1.144 122.346 121.223 -0.034 0.000 2.295 113 L HA 0.746 5.086 4.340 -0.000 0.000 0.285 113 L C 0.409 177.227 176.870 -0.087 0.000 1.035 113 L CA -0.948 53.772 54.840 -0.200 0.000 0.806 113 L CB 1.720 43.522 42.059 -0.428 0.000 1.214 113 L HN 0.557 nan 8.230 nan 0.000 0.426 114 V N 0.130 120.013 119.914 -0.051 0.000 3.158 114 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 114 V C 0.084 176.163 176.094 -0.025 0.000 1.181 114 V CA -1.152 61.139 62.300 -0.015 0.000 1.054 114 V CB 1.601 33.443 31.823 0.033 0.000 1.085 114 V HN 0.773 nan 8.190 nan 0.000 0.446 115 A N 0.870 123.682 122.820 -0.014 0.000 2.511 115 A HA 0.679 4.999 4.320 -0.000 0.000 0.242 115 A C 0.722 178.301 177.584 -0.009 0.000 1.069 115 A CA 0.389 52.416 52.037 -0.018 0.000 0.763 115 A CB -0.369 18.624 19.000 -0.012 0.000 1.001 115 A HN 2.249 nan 8.150 nan 0.000 0.498 116 A N 2.167 124.972 122.820 -0.026 0.000 2.425 116 A HA 0.391 4.711 4.320 -0.000 0.000 0.249 116 A C 0.622 178.195 177.584 -0.018 0.000 1.084 116 A CA -0.239 51.782 52.037 -0.026 0.000 0.781 116 A CB 0.012 18.975 19.000 -0.063 0.000 1.019 116 A HN 0.942 nan 8.150 nan 0.000 0.490 117 Q N 0.498 120.292 119.800 -0.010 0.000 2.262 117 Q HA 0.069 4.409 4.340 -0.000 0.000 0.298 117 Q C -1.068 174.918 176.000 -0.025 0.000 1.083 117 Q CA 0.667 56.463 55.803 -0.012 0.000 0.962 117 Q CB 0.213 28.946 28.738 -0.009 0.000 1.104 117 Q HN 0.684 nan 8.270 nan 0.000 0.376 118 D N 5.208 125.595 120.400 -0.021 0.000 2.757 118 D HA 0.388 5.028 4.640 -0.000 0.000 0.249 118 D C -2.282 174.005 176.300 -0.020 0.000 1.168 118 D CA -1.502 52.482 54.000 -0.026 0.000 0.870 118 D CB 1.106 41.891 40.800 -0.025 0.000 1.411 118 D HN 0.360 nan 8.370 nan 0.000 0.525 119 P HA 0.283 nan 4.420 nan 0.000 0.269 119 P C -2.635 174.645 177.300 -0.033 0.000 1.209 119 P CA -1.196 61.887 63.100 -0.029 0.000 0.776 119 P CB 0.037 31.721 31.700 -0.025 0.000 0.876 120 P HA 0.166 nan 4.420 nan 0.000 0.276 120 P C -1.964 175.311 177.300 -0.043 0.000 1.243 120 P CA -1.370 61.700 63.100 -0.051 0.000 0.768 120 P CB 0.262 31.918 31.700 -0.074 0.000 0.856 121 P HA -0.109 nan 4.420 nan 0.000 0.216 121 P C 0.437 177.717 177.300 -0.034 0.000 1.153 121 P CA 1.569 64.649 63.100 -0.033 0.000 0.858 121 P CB 0.009 31.689 31.700 -0.033 0.000 0.789 122 A N -0.835 121.961 122.820 -0.040 0.000 2.325 122 A HA 0.671 4.990 4.320 -0.000 0.000 0.333 122 A C -0.034 177.521 177.584 -0.049 0.000 1.155 122 A CA -0.437 51.579 52.037 -0.034 0.000 0.814 122 A CB 0.694 19.680 19.000 -0.023 0.000 1.206 122 A HN 0.178 nan 8.150 nan 0.000 0.482 123 A N 2.740 125.538 122.820 -0.036 0.000 2.531 123 A HA 0.499 4.818 4.320 -0.000 0.000 0.236 123 A C -2.228 175.309 177.584 -0.077 0.000 1.062 123 A CA -0.709 51.299 52.037 -0.049 0.000 0.760 123 A CB -0.848 18.134 19.000 -0.030 0.000 0.995 123 A HN 0.591 nan 8.150 nan 0.000 0.501 124 P HA 0.013 nan 4.420 nan 0.000 0.262 124 P C -0.379 176.839 177.300 -0.135 0.000 1.182 124 P CA 0.338 63.328 63.100 -0.182 0.000 0.761 124 P CB 0.078 31.651 31.700 -0.211 0.000 0.795 125 Y N 3.422 123.543 120.300 -0.297 0.000 2.702 125 Y HA -0.032 4.518 4.550 -0.000 0.000 0.336 125 Y C 0.416 176.223 175.900 -0.155 0.000 1.235 125 Y CA 0.578 58.591 58.100 -0.145 0.000 1.492 125 Y CB 0.387 38.823 38.460 -0.041 0.000 1.308 125 Y HN 0.335 nan 8.280 nan 0.000 0.589 126 Q N 7.998 127.336 119.800 -0.770 0.000 2.425 126 Q HA 0.313 4.653 4.340 -0.000 0.000 0.254 126 Q C -2.408 173.049 176.000 -0.905 0.000 1.032 126 Q CA -2.040 53.373 55.803 -0.649 0.000 0.798 126 Q CB 1.086 29.631 28.738 -0.321 0.000 1.210 126 Q HN 0.569 nan 8.270 nan 0.000 0.491 127 P HA -0.015 nan 4.420 nan 0.000 0.266 127 P C -0.958 176.440 177.300 0.163 0.000 1.193 127 P CA 0.263 63.283 63.100 -0.132 0.000 0.770 127 P CB 0.595 32.383 31.700 0.146 0.000 0.836 128 A N 2.080 125.057 122.820 0.260 0.000 2.304 128 A HA 0.481 4.801 4.320 -0.000 0.000 0.323 128 A C 0.266 177.878 177.584 0.047 0.000 1.195 128 A CA -0.424 51.730 52.037 0.194 0.000 0.826 128 A CB 0.590 19.663 19.000 0.121 0.000 1.184 128 A HN 0.436 nan 8.150 nan 0.000 0.496 129 S N 2.099 117.522 115.700 -0.463 0.000 2.531 129 S HA 0.415 4.885 4.470 -0.000 0.000 0.279 129 S C 0.961 175.272 174.600 -0.481 0.000 1.305 129 S CA 0.450 58.106 58.200 -0.906 0.000 1.058 129 S CB -0.112 62.200 63.200 -1.482 0.000 0.899 129 S HN 2.393 nan 8.310 nan 0.000 0.493 130 A N 3.115 125.598 122.820 -0.562 0.000 2.415 130 A HA -0.189 4.130 4.320 -0.000 0.000 0.292 130 A C 0.145 177.431 177.584 -0.497 0.000 1.452 130 A CA 1.230 52.792 52.037 -0.792 0.000 0.750 130 A CB -1.860 16.919 19.000 -0.368 0.000 1.099 130 A HN 0.844 nan 8.150 nan 0.000 0.391 131 Q N -1.263 118.261 119.800 -0.461 0.000 2.342 131 Q HA 0.655 4.995 4.340 -0.000 0.000 0.267 131 Q C -0.427 175.516 176.000 -0.094 0.000 1.038 131 Q CA -0.448 55.297 55.803 -0.096 0.000 0.832 131 Q CB 0.917 29.673 28.738 0.030 0.000 1.323 131 Q HN 0.589 nan 8.270 nan 0.000 0.448 132 W N 0.979 122.405 121.300 0.211 0.000 2.303 132 W HA 0.606 5.266 4.660 -0.000 0.000 0.334 132 W C -0.108 176.542 176.519 0.217 0.000 1.197 132 W CA -0.134 57.343 57.345 0.219 0.000 1.262 132 W CB 1.445 31.002 29.460 0.162 0.000 1.153 132 W HN 0.383 nan 8.180 nan 0.000 0.596 133 S N 1.024 117.063 115.700 0.566 0.000 2.540 133 S HA 0.123 4.593 4.470 -0.000 0.000 0.275 133 S C -1.714 173.141 174.600 0.424 0.000 1.123 133 S CA -0.803 57.660 58.200 0.438 0.000 0.907 133 S CB 1.663 65.123 63.200 0.432 0.000 1.081 133 S HN 0.392 nan 8.310 nan 0.000 0.476 134 D N 2.299 122.884 120.400 0.308 0.000 2.412 134 D HA 0.307 4.947 4.640 -0.000 0.000 0.224 134 D C 0.936 177.392 176.300 0.261 0.000 1.093 134 D CA -0.495 53.663 54.000 0.263 0.000 0.850 134 D CB 0.506 41.416 40.800 0.182 0.000 1.046 134 D HN 0.416 nan 8.370 nan 0.000 0.507 135 L N 3.230 124.633 121.223 0.301 0.000 2.275 135 L HA -0.073 4.267 4.340 -0.000 0.000 0.215 135 L C 2.122 179.196 176.870 0.341 0.000 1.119 135 L CA 0.474 55.522 54.840 0.346 0.000 0.790 135 L CB -0.158 42.078 42.059 0.295 0.000 0.919 135 L HN 0.498 nan 8.230 nan 0.000 0.443 136 L N -0.108 121.234 121.223 0.198 0.000 2.456 136 L HA -0.132 4.208 4.340 -0.000 0.000 0.224 136 L C 1.996 178.944 176.870 0.130 0.000 1.148 136 L CA 0.293 55.213 54.840 0.134 0.000 0.825 136 L CB -0.577 41.522 42.059 0.066 0.000 0.937 136 L HN 0.386 nan 8.230 nan 0.000 0.450 137 N N -0.147 118.642 118.700 0.149 0.000 2.272 137 N HA -0.211 4.529 4.740 -0.000 0.000 0.185 137 N C 0.444 176.008 175.510 0.089 0.000 1.014 137 N CA 0.854 53.969 53.050 0.109 0.000 0.870 137 N CB -0.150 38.409 38.487 0.121 0.000 0.975 137 N HN 0.217 nan 8.380 nan 0.000 0.433 138 Y N 2.044 122.319 120.300 -0.040 0.000 2.486 138 Y HA 0.167 4.716 4.550 -0.000 0.000 0.348 138 Y C -1.547 174.250 175.900 -0.172 0.000 1.000 138 Y CA -2.371 55.605 58.100 -0.207 0.000 1.253 138 Y CB 1.086 39.241 38.460 -0.508 0.000 1.140 138 Y HN 0.011 nan 8.280 nan 0.000 0.526 139 P HA -0.253 nan 4.420 nan 0.000 0.216 139 P C 1.486 178.586 177.300 -0.334 0.000 1.153 139 P CA 1.943 64.834 63.100 -0.348 0.000 0.858 139 P CB 0.144 31.636 31.700 -0.347 0.000 0.789 140 R N -1.315 118.847 120.500 -0.564 0.000 2.096 140 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 140 R C 1.892 178.164 176.300 -0.047 0.000 1.127 140 R CA 1.503 57.407 56.100 -0.327 0.000 0.968 140 R CB -0.535 29.524 30.300 -0.401 0.000 0.861 140 R HN 0.187 nan 8.270 nan 0.000 0.440 141 W N 0.119 121.347 121.300 -0.120 0.000 2.418 141 W HA 0.124 4.783 4.660 -0.000 0.000 0.292 141 W C 2.288 178.697 176.519 -0.184 0.000 1.213 141 W CA 0.606 57.871 57.345 -0.134 0.000 1.283 141 W CB -0.932 28.472 29.460 -0.092 0.000 1.119 141 W HN 0.255 nan 8.180 nan 0.000 0.542 142 A N 0.561 123.422 122.820 0.068 0.000 1.933 142 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 142 A C 1.908 179.468 177.584 -0.040 0.000 1.175 142 A CA 1.716 53.743 52.037 -0.016 0.000 0.628 142 A CB -0.720 18.268 19.000 -0.019 0.000 0.814 142 A HN 0.287 nan 8.150 nan 0.000 0.444 143 N N -0.808 117.867 118.700 -0.043 0.000 2.395 143 N HA 0.012 4.752 4.740 -0.000 0.000 0.175 143 N C 0.153 175.635 175.510 -0.046 0.000 1.029 143 N CA 0.434 53.453 53.050 -0.051 0.000 0.897 143 N CB 0.187 38.634 38.487 -0.067 0.000 0.991 143 N HN 0.406 nan 8.380 nan 0.000 0.441 144 R N 0.966 121.448 120.500 -0.030 0.000 2.587 144 R HA 0.293 4.633 4.340 -0.000 0.000 0.283 144 R C 0.668 176.933 176.300 -0.058 0.000 1.472 144 R CA -0.197 55.882 56.100 -0.035 0.000 1.578 144 R CB 1.108 31.395 30.300 -0.020 0.000 1.130 144 R HN 0.015 nan 8.270 nan 0.000 0.602 145 R N 0.870 121.305 120.500 -0.109 0.000 2.096 145 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 145 R C 2.000 178.155 176.300 -0.240 0.000 1.127 145 R CA 1.474 57.450 56.100 -0.207 0.000 0.968 145 R CB 0.082 30.264 30.300 -0.196 0.000 0.861 145 R HN 0.174 nan 8.270 nan 0.000 0.440 146 R N 0.913 121.319 120.500 -0.157 0.000 2.133 146 R HA -0.183 4.157 4.340 -0.000 0.000 0.247 146 R C 1.651 177.836 176.300 -0.191 0.000 1.151 146 R CA 2.064 58.076 56.100 -0.146 0.000 0.971 146 R CB -0.119 30.123 30.300 -0.097 0.000 0.866 146 R HN 0.357 nan 8.270 nan 0.000 0.447 147 E N -0.720 119.369 120.200 -0.186 0.000 2.204 147 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 147 E C 1.647 177.950 176.600 -0.495 0.000 0.989 147 E CA 1.103 57.371 56.400 -0.221 0.000 0.824 147 E CB -0.049 29.626 29.700 -0.041 0.000 0.756 147 E HN 0.231 nan 8.360 nan 0.000 0.477 148 L N 0.642 121.451 121.223 -0.690 0.000 2.162 148 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 148 L C 1.930 178.429 176.870 -0.618 0.000 1.086 148 L CA 1.485 55.666 54.840 -1.097 0.000 0.778 148 L CB -0.058 41.235 42.059 -1.276 0.000 0.928 148 L HN -0.054 nan 8.230 nan 0.000 0.446 149 Q N -0.997 118.564 119.800 -0.398 0.000 2.170 149 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 149 Q C 2.353 178.276 176.000 -0.129 0.000 0.976 149 Q CA 1.584 57.291 55.803 -0.160 0.000 0.858 149 Q CB -0.115 28.561 28.738 -0.103 0.000 0.907 149 Q HN 0.531 nan 8.270 nan 0.000 0.433 150 S N 0.336 115.909 115.700 -0.211 0.000 2.368 150 S HA -0.126 4.343 4.470 -0.000 0.000 0.225 150 S C 1.585 176.066 174.600 -0.199 0.000 1.030 150 S CA 1.251 59.339 58.200 -0.186 0.000 0.999 150 S CB 0.088 63.157 63.200 -0.218 0.000 0.844 150 S HN 0.255 nan 8.310 nan 0.000 0.459 151 K N -0.973 119.214 120.400 -0.356 0.000 2.314 151 K HA 0.056 4.375 4.320 -0.000 0.000 0.198 151 K C 1.757 178.259 176.600 -0.163 0.000 1.045 151 K CA 0.446 56.494 56.287 -0.399 0.000 0.988 151 K CB -0.187 31.723 32.500 -0.984 0.000 0.783 151 K HN 0.329 nan 8.250 nan 0.000 0.484 152 Y N 2.414 122.562 120.300 -0.254 0.000 2.165 152 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 152 Y C -1.177 174.729 175.900 0.009 0.000 1.155 152 Y CA 0.922 58.965 58.100 -0.095 0.000 1.164 152 Y CB -0.907 37.562 38.460 0.015 0.000 0.978 152 Y HN 0.012 nan 8.280 nan 0.000 0.513 153 P HA -0.231 nan 4.420 nan 0.000 0.216 153 P C 1.827 179.096 177.300 -0.051 0.000 1.154 153 P CA 1.479 64.539 63.100 -0.067 0.000 0.865 153 P CB -0.109 31.580 31.700 -0.019 0.000 0.789 154 L N -1.243 119.983 121.223 0.006 0.000 2.072 154 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 154 L C 2.235 179.138 176.870 0.055 0.000 1.079 154 L CA 1.704 56.598 54.840 0.091 0.000 0.752 154 L CB -1.509 40.660 42.059 0.184 0.000 0.906 154 L HN -0.094 nan 8.230 nan 0.000 0.436 155 L N -1.639 119.546 121.223 -0.063 0.000 2.109 155 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 155 L C 2.390 179.292 176.870 0.052 0.000 1.086 155 L CA 0.515 55.357 54.840 0.003 0.000 0.760 155 L CB -0.578 41.497 42.059 0.026 0.000 0.910 155 L HN 0.266 nan 8.230 nan 0.000 0.437 156 L N 0.279 121.312 121.223 -0.317 0.000 2.083 156 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 156 L C 2.747 179.622 176.870 0.007 0.000 1.083 156 L CA 1.621 56.310 54.840 -0.251 0.000 0.752 156 L CB -0.594 41.170 42.059 -0.492 0.000 0.899 156 L HN 0.143 nan 8.230 nan 0.000 0.433 157 R N -1.148 119.373 120.500 0.035 0.000 2.103 157 R HA -0.175 4.164 4.340 -0.000 0.000 0.242 157 R C 2.181 178.569 176.300 0.146 0.000 1.142 157 R CA 1.883 58.045 56.100 0.102 0.000 0.960 157 R CB -0.241 30.126 30.300 0.111 0.000 0.858 157 R HN 0.432 nan 8.270 nan 0.000 0.439 158 S N -0.283 115.546 115.700 0.216 0.000 2.355 158 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 158 S C 1.853 176.503 174.600 0.083 0.000 1.031 158 S CA 1.719 60.057 58.200 0.230 0.000 0.993 158 S CB -0.332 63.169 63.200 0.501 0.000 0.859 158 S HN 0.476 nan 8.310 nan 0.000 0.453 159 T N 3.078 117.647 114.554 0.026 0.000 2.653 159 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 159 T C 1.709 176.450 174.700 0.069 0.000 1.035 159 T CA 1.278 63.322 62.100 -0.092 0.000 1.154 159 T CB -0.516 68.340 68.868 -0.021 0.000 0.862 159 T HN 0.253 nan 8.240 nan 0.000 0.441 160 L N -0.114 121.207 121.223 0.162 0.000 2.109 160 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 160 L C 2.406 179.322 176.870 0.077 0.000 1.086 160 L CA 0.559 55.515 54.840 0.193 0.000 0.760 160 L CB -0.403 41.779 42.059 0.205 0.000 0.910 160 L HN 0.216 nan 8.230 nan 0.000 0.437 161 L N -0.963 120.303 121.223 0.071 0.000 2.072 161 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 161 L C 2.539 179.449 176.870 0.068 0.000 1.079 161 L CA 1.596 56.460 54.840 0.040 0.000 0.752 161 L CB -0.360 41.753 42.059 0.091 0.000 0.906 161 L HN 0.021 nan 8.230 nan 0.000 0.436 162 S N -0.115 115.639 115.700 0.089 0.000 2.368 162 S HA -0.139 4.330 4.470 -0.000 0.000 0.225 162 S C 2.041 176.766 174.600 0.208 0.000 1.030 162 S CA 1.168 59.431 58.200 0.105 0.000 0.999 162 S CB -0.530 62.644 63.200 -0.044 0.000 0.844 162 S HN 0.665 nan 8.310 nan 0.000 0.459 163 A N 1.038 123.965 122.820 0.178 0.000 2.014 163 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 163 A C 0.987 178.545 177.584 -0.044 0.000 1.163 163 A CA 0.750 52.807 52.037 0.033 0.000 0.652 163 A CB -0.275 18.754 19.000 0.049 0.000 0.808 163 A HN 0.318 nan 8.150 nan 0.000 0.449 164 M N -0.305 119.251 119.600 -0.073 0.000 2.238 164 M HA 0.152 4.632 4.480 -0.000 0.000 0.347 164 M C 1.330 177.580 176.300 -0.083 0.000 1.173 164 M CA 0.039 55.256 55.300 -0.138 0.000 1.147 164 M CB 0.419 32.914 32.600 -0.175 0.000 1.547 164 M HN 0.406 nan 8.290 nan 0.000 0.455 165 R N 1.307 121.748 120.500 -0.098 0.000 2.115 165 R HA 0.055 4.395 4.340 -0.000 0.000 0.226 165 R C 0.767 177.030 176.300 -0.062 0.000 1.100 165 R CA 1.499 57.562 56.100 -0.061 0.000 0.980 165 R CB 0.370 30.632 30.300 -0.063 0.000 0.875 165 R HN 0.820 nan 8.270 nan 0.000 0.445 166 A N -0.762 121.990 122.820 -0.115 0.000 3.191 166 A HA 0.541 4.861 4.320 -0.000 0.000 0.191 166 A C 0.330 177.744 177.584 -0.283 0.000 1.221 166 A CA 0.045 52.005 52.037 -0.128 0.000 1.399 166 A CB -0.592 18.322 19.000 -0.142 0.000 1.688 166 A HN 0.328 nan 8.150 nan 0.000 0.593 167 G N -0.152 108.326 108.800 -0.536 0.000 2.616 167 G HA2 0.516 4.476 3.960 -0.000 0.000 0.268 167 G HA3 0.516 4.476 3.960 -0.000 0.000 0.268 167 G C -2.656 171.761 174.900 -0.804 0.000 1.213 167 G CA -1.075 43.238 45.100 -1.312 0.000 0.926 167 G HN 0.421 nan 8.290 nan 0.000 0.523 168 P HA 0.206 nan 4.420 nan 0.000 0.272 168 P C -0.200 177.155 177.300 0.091 0.000 1.223 168 P CA -0.350 62.587 63.100 -0.271 0.000 0.784 168 P CB 1.346 32.931 31.700 -0.192 0.000 0.923 169 V N 3.409 123.374 119.914 0.084 0.000 2.617 169 V HA 0.366 4.486 4.120 -0.000 0.000 0.298 169 V C -0.286 175.927 176.094 0.199 0.000 1.048 169 V CA -0.754 61.650 62.300 0.172 0.000 0.964 169 V CB 0.581 32.450 31.823 0.077 0.000 1.004 169 V HN 0.260 nan 8.190 nan 0.000 0.466 170 L N 5.975 127.319 121.223 0.203 0.000 2.334 170 L HA 0.476 4.816 4.340 -0.000 0.000 0.276 170 L C -1.053 176.004 176.870 0.312 0.000 1.014 170 L CA -0.771 54.144 54.840 0.126 0.000 0.815 170 L CB 1.659 43.623 42.059 -0.158 0.000 1.268 170 L HN 0.718 nan 8.230 nan 0.000 0.428 171 Y N 2.808 123.234 120.300 0.211 0.000 2.425 171 Y HA 0.487 5.037 4.550 -0.000 0.000 0.347 171 Y C -0.703 175.271 175.900 0.124 0.000 0.976 171 Y CA -0.616 57.632 58.100 0.247 0.000 1.190 171 Y CB 0.993 39.653 38.460 0.334 0.000 1.136 171 Y HN 0.241 nan 8.280 nan 0.000 0.517 172 V N 6.761 126.572 119.914 -0.172 0.000 2.350 172 V HA 0.382 4.502 4.120 -0.000 0.000 0.285 172 V C -0.590 175.565 176.094 0.101 0.000 1.014 172 V CA -0.820 61.472 62.300 -0.013 0.000 0.831 172 V CB 1.299 33.041 31.823 -0.135 0.000 1.000 172 V HN 0.775 nan 8.190 nan 0.000 0.433 173 E N 3.034 123.449 120.200 0.357 0.000 2.278 173 E HA 0.629 4.978 4.350 -0.000 0.000 0.272 173 E C -0.820 176.104 176.600 0.541 0.000 0.890 173 E CA -0.446 56.230 56.400 0.460 0.000 0.770 173 E CB 2.283 32.291 29.700 0.512 0.000 1.212 173 E HN 0.823 nan 8.360 nan 0.000 0.415 174 T N 0.645 115.456 114.554 0.429 0.000 2.908 174 T HA 0.814 5.164 4.350 -0.000 0.000 0.290 174 T C -0.914 174.038 174.700 0.420 0.000 1.034 174 T CA -0.779 61.513 62.100 0.319 0.000 1.010 174 T CB 0.834 69.829 68.868 0.211 0.000 1.068 174 T HN 0.552 nan 8.240 nan 0.000 0.481 175 W N -0.102 121.261 121.300 0.106 0.000 3.213 175 W HA 0.583 5.243 4.660 -0.000 0.000 0.318 175 W C -2.823 173.733 176.519 0.063 0.000 1.248 175 W CA -2.416 54.960 57.345 0.051 0.000 1.187 175 W CB 0.079 29.562 29.460 0.039 0.000 1.403 175 W HN 0.434 nan 8.180 nan 0.000 0.556 176 P HA -0.268 nan 4.420 nan 0.000 0.222 176 P C 0.169 177.493 177.300 0.041 0.000 1.159 176 P CA 2.553 65.714 63.100 0.101 0.000 0.920 176 P CB 0.125 31.898 31.700 0.121 0.000 0.793 177 N N -1.950 116.801 118.700 0.085 0.000 2.458 177 N HA 0.166 4.906 4.740 -0.000 0.000 0.274 177 N C 1.327 176.802 175.510 -0.057 0.000 1.242 177 N CA -0.284 52.791 53.050 0.042 0.000 0.904 177 N CB -0.290 38.266 38.487 0.116 0.000 1.206 177 N HN 0.190 nan 8.380 nan 0.000 0.510 178 M N -1.024 118.343 119.600 -0.389 0.000 2.082 178 M HA -0.099 4.381 4.480 -0.000 0.000 0.258 178 M C 0.248 176.423 176.300 -0.209 0.000 1.071 178 M CA 1.633 56.462 55.300 -0.786 0.000 1.103 178 M CB -0.541 31.133 32.600 -1.543 0.000 1.307 178 M HN -0.043 nan 8.290 nan 0.000 0.409 179 I N 2.637 123.136 120.570 -0.118 0.000 2.282 179 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 179 I C -0.246 175.950 176.117 0.133 0.000 1.090 179 I CA -0.513 60.818 61.300 0.051 0.000 1.231 179 I CB 0.309 38.261 38.000 -0.080 0.000 1.434 179 I HN 0.480 nan 8.210 nan 0.000 0.487 180 S N 3.448 119.253 115.700 0.176 0.000 2.611 180 S HA 0.824 5.294 4.470 -0.000 0.000 0.268 180 S C 0.097 174.799 174.600 0.171 0.000 1.156 180 S CA -0.255 58.045 58.200 0.167 0.000 0.817 180 S CB 1.304 64.581 63.200 0.128 0.000 1.122 180 S HN 1.014 nan 8.310 nan 0.000 0.466 181 G N 2.087 110.972 108.800 0.143 0.000 2.634 181 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.309 181 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.309 181 G C 0.547 175.531 174.900 0.139 0.000 1.265 181 G CA 0.937 46.111 45.100 0.123 0.000 0.998 181 G HN 1.023 nan 8.290 nan 0.000 0.551 182 R N -0.545 120.028 120.500 0.122 0.000 2.115 182 R HA 0.154 4.494 4.340 -0.000 0.000 0.230 182 R C 2.659 179.064 176.300 0.175 0.000 1.111 182 R CA 1.405 57.576 56.100 0.118 0.000 0.976 182 R CB -0.476 29.864 30.300 0.067 0.000 0.870 182 R HN 0.375 nan 8.270 nan 0.000 0.445 183 L N 0.401 121.747 121.223 0.205 0.000 2.027 183 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 183 L C 2.053 179.188 176.870 0.443 0.000 1.074 183 L CA 1.996 57.016 54.840 0.300 0.000 0.745 183 L CB -0.874 41.374 42.059 0.314 0.000 0.898 183 L HN 0.174 nan 8.230 nan 0.000 0.433 184 A N -0.944 122.090 122.820 0.357 0.000 1.972 184 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 184 A C 1.918 179.682 177.584 0.299 0.000 1.169 184 A CA 1.800 54.049 52.037 0.353 0.000 0.635 184 A CB -0.678 18.520 19.000 0.329 0.000 0.810 184 A HN 0.554 nan 8.150 nan 0.000 0.446 185 D N -1.582 118.959 120.400 0.234 0.000 2.149 185 D HA -0.139 4.500 4.640 -0.000 0.000 0.201 185 D C 1.580 177.971 176.300 0.151 0.000 0.972 185 D CA 1.072 55.171 54.000 0.166 0.000 0.835 185 D CB -0.441 40.436 40.800 0.129 0.000 0.966 185 D HN 0.773 nan 8.370 nan 0.000 0.476 186 W N 1.066 122.370 121.300 0.007 0.000 2.355 186 W HA -0.187 4.473 4.660 -0.000 0.000 0.309 186 W C 1.882 178.323 176.519 -0.130 0.000 1.206 186 W CA 1.152 58.449 57.345 -0.081 0.000 1.284 186 W CB -0.642 28.727 29.460 -0.152 0.000 1.145 186 W HN -0.192 nan 8.180 nan 0.000 0.502 187 F N 0.108 119.905 119.950 -0.255 0.000 2.161 187 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 187 F C 2.459 177.973 175.800 -0.478 0.000 1.089 187 F CA 2.092 59.672 58.000 -0.698 0.000 1.282 187 F CB -1.036 37.325 39.000 -1.065 0.000 1.010 187 F HN -0.070 nan 8.300 nan 0.000 0.485 188 M N 0.253 119.885 119.600 0.053 0.000 2.175 188 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 188 M C 2.419 178.741 176.300 0.037 0.000 1.063 188 M CA 1.839 57.249 55.300 0.183 0.000 1.119 188 M CB -0.734 31.947 32.600 0.135 0.000 1.377 188 M HN 0.084 nan 8.290 nan 0.000 0.415 189 S N -0.730 114.918 115.700 -0.086 0.000 2.469 189 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 189 S C 1.572 176.080 174.600 -0.153 0.000 0.998 189 S CA 0.921 59.055 58.200 -0.111 0.000 0.957 189 S CB -0.639 62.484 63.200 -0.128 0.000 0.764 189 S HN 0.646 nan 8.310 nan 0.000 0.514 190 Q N -0.143 119.499 119.800 -0.263 0.000 2.319 190 Q HA 0.215 4.555 4.340 -0.000 0.000 0.202 190 Q C -0.442 175.495 176.000 -0.105 0.000 0.896 190 Q CA -0.371 55.276 55.803 -0.260 0.000 0.942 190 Q CB -0.169 28.259 28.738 -0.518 0.000 1.083 190 Q HN 0.760 nan 8.270 nan 0.000 0.510 191 Y N 1.586 121.832 120.300 -0.091 0.000 2.944 191 Y HA -0.054 4.496 4.550 -0.000 0.000 0.340 191 Y C 1.449 177.298 175.900 -0.085 0.000 1.275 191 Y CA 1.984 60.065 58.100 -0.031 0.000 1.590 191 Y CB 0.174 38.650 38.460 0.025 0.000 1.218 191 Y HN 0.500 nan 8.280 nan 0.000 0.576 192 G N 3.240 111.571 108.800 -0.782 0.000 2.184 192 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.264 192 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.264 192 G C 0.066 174.771 174.900 -0.326 0.000 0.975 192 G CA 0.177 44.910 45.100 -0.613 0.000 0.642 192 G HN 0.686 nan 8.290 nan 0.000 0.536 193 N N 0.740 119.305 118.700 -0.226 0.000 2.503 193 N HA 0.281 5.020 4.740 -0.000 0.000 0.267 193 N C 0.160 175.671 175.510 0.002 0.000 1.214 193 N CA -0.403 52.595 53.050 -0.087 0.000 0.959 193 N CB 0.440 38.890 38.487 -0.061 0.000 1.142 193 N HN 0.416 nan 8.380 nan 0.000 0.455 194 N N 1.169 119.906 118.700 0.062 0.000 2.520 194 N HA -0.026 4.713 4.740 -0.000 0.000 0.273 194 N C 0.777 176.426 175.510 0.231 0.000 1.155 194 N CA -0.183 52.965 53.050 0.163 0.000 0.967 194 N CB 0.481 39.035 38.487 0.112 0.000 1.092 194 N HN 0.405 nan 8.380 nan 0.000 0.457 195 F N 4.547 124.604 119.950 0.178 0.000 2.091 195 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 195 F C 1.867 177.623 175.800 -0.075 0.000 1.103 195 F CA 1.445 59.448 58.000 0.005 0.000 1.228 195 F CB -0.234 38.574 39.000 -0.319 0.000 0.984 195 F HN 0.366 nan 8.300 nan 0.000 0.477 196 V N 0.520 120.353 119.914 -0.135 0.000 2.343 196 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 196 V C 2.152 178.129 176.094 -0.194 0.000 1.051 196 V CA 2.175 64.332 62.300 -0.237 0.000 1.036 196 V CB -0.798 31.004 31.823 -0.035 0.000 0.654 196 V HN 0.300 nan 8.190 nan 0.000 0.451 197 D N -0.246 120.104 120.400 -0.083 0.000 2.144 197 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 197 D C 2.195 178.450 176.300 -0.075 0.000 0.984 197 D CA 1.470 55.437 54.000 -0.056 0.000 0.834 197 D CB -0.202 40.592 40.800 -0.011 0.000 0.955 197 D HN 0.385 nan 8.370 nan 0.000 0.465 198 M N 0.069 119.615 119.600 -0.091 0.000 2.086 198 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 198 M C 2.588 178.824 176.300 -0.107 0.000 1.067 198 M CA 1.079 56.346 55.300 -0.054 0.000 1.116 198 M CB -0.321 32.288 32.600 0.016 0.000 1.348 198 M HN 0.098 nan 8.290 nan 0.000 0.407 199 C N 0.347 119.439 119.300 -0.347 0.000 2.413 199 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 199 C C 3.039 177.916 174.990 -0.189 0.000 1.236 199 C CA 1.098 59.908 59.018 -0.346 0.000 1.735 199 C CB -1.466 25.919 27.740 -0.592 0.000 2.031 199 C HN 0.664 nan 8.230 nan 0.000 0.474 200 A N -0.040 122.682 122.820 -0.164 0.000 2.019 200 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 200 A C 2.237 179.787 177.584 -0.058 0.000 1.164 200 A CA 1.693 53.673 52.037 -0.095 0.000 0.644 200 A CB -0.593 18.364 19.000 -0.073 0.000 0.805 200 A HN 0.680 nan 8.150 nan 0.000 0.449 201 R N -0.685 119.794 120.500 -0.035 0.000 2.090 201 R HA 0.082 4.422 4.340 -0.000 0.000 0.228 201 R C 1.878 178.178 176.300 0.000 0.000 1.110 201 R CA 0.951 57.056 56.100 0.007 0.000 0.973 201 R CB -0.261 30.072 30.300 0.053 0.000 0.869 201 R HN 0.531 nan 8.270 nan 0.000 0.440 202 L N -0.464 120.749 121.223 -0.017 0.000 2.072 202 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 202 L C 2.261 179.034 176.870 -0.161 0.000 1.079 202 L CA 1.366 56.156 54.840 -0.084 0.000 0.752 202 L CB -0.462 41.549 42.059 -0.081 0.000 0.906 202 L HN 0.249 nan 8.230 nan 0.000 0.436 203 T N -0.289 114.193 114.554 -0.121 0.000 2.624 203 T HA -0.314 4.036 4.350 -0.000 0.000 0.268 203 T C 1.725 176.355 174.700 -0.117 0.000 1.041 203 T CA 2.200 64.232 62.100 -0.113 0.000 1.159 203 T CB -0.213 68.609 68.868 -0.077 0.000 0.863 203 T HN 0.429 nan 8.240 nan 0.000 0.434 204 Q N 0.738 120.486 119.800 -0.087 0.000 2.311 204 Q HA 0.143 4.482 4.340 -0.000 0.000 0.203 204 Q C 2.156 178.099 176.000 -0.094 0.000 0.954 204 Q CA 1.560 57.322 55.803 -0.068 0.000 0.885 204 Q CB -0.516 28.202 28.738 -0.032 0.000 0.963 204 Q HN 0.255 nan 8.270 nan 0.000 0.471 205 S N -0.623 114.998 115.700 -0.131 0.000 2.402 205 S HA -0.057 4.412 4.470 -0.000 0.000 0.229 205 S C 1.136 175.479 174.600 -0.429 0.000 1.021 205 S CA 0.955 59.039 58.200 -0.194 0.000 0.974 205 S CB -0.333 62.784 63.200 -0.139 0.000 0.800 205 S HN 0.592 nan 8.310 nan 0.000 0.484 206 C N 1.920 120.943 119.300 -0.462 0.000 2.449 206 C HA 0.300 4.760 4.460 -0.000 0.000 0.322 206 C C 2.342 177.192 174.990 -0.234 0.000 1.309 206 C CA -0.337 58.405 59.018 -0.460 0.000 1.657 206 C CB -2.110 25.397 27.740 -0.387 0.000 1.718 206 C HN 0.492 nan 8.230 nan 0.000 0.596 207 S N 2.206 117.805 115.700 -0.168 0.000 2.338 207 S HA -0.075 4.395 4.470 -0.000 0.000 0.218 207 S C 0.975 175.527 174.600 -0.079 0.000 1.032 207 S CA 0.982 59.126 58.200 -0.094 0.000 0.999 207 S CB -0.225 62.940 63.200 -0.060 0.000 0.905 207 S HN 0.894 nan 8.310 nan 0.000 0.439 208 N N 2.047 120.707 118.700 -0.067 0.000 2.458 208 N HA 0.025 4.765 4.740 -0.000 0.000 0.270 208 N C -0.468 175.007 175.510 -0.059 0.000 1.102 208 N CA 0.135 53.154 53.050 -0.053 0.000 0.967 208 N CB 0.547 39.017 38.487 -0.029 0.000 1.078 208 N HN 0.169 nan 8.380 nan 0.000 0.471 209 M N 1.905 121.470 119.600 -0.059 0.000 3.443 209 M HA 0.207 4.687 4.480 -0.000 0.000 0.228 209 M C -2.057 174.225 176.300 -0.029 0.000 1.227 209 M CA -1.338 53.927 55.300 -0.057 0.000 1.321 209 M CB -0.610 31.952 32.600 -0.065 0.000 1.134 209 M HN 0.294 nan 8.290 nan 0.000 0.567 210 P HA 0.105 nan 4.420 nan 0.000 0.252 210 P C -0.516 176.811 177.300 0.045 0.000 1.694 210 P CA 0.182 63.292 63.100 0.016 0.000 1.163 210 P CB -0.174 31.544 31.700 0.031 0.000 1.934 211 V N 3.290 123.212 119.914 0.014 0.000 2.275 211 V HA 0.164 4.284 4.120 -0.000 0.000 0.272 211 V C 0.602 176.695 176.094 -0.001 0.000 1.028 211 V CA -0.583 61.729 62.300 0.020 0.000 0.810 211 V CB 0.874 32.683 31.823 -0.024 0.000 1.043 211 V HN 0.304 nan 8.190 nan 0.000 0.453 212 E N 5.298 125.498 120.200 -0.000 0.000 2.301 212 E HA 0.316 4.665 4.350 -0.000 0.000 0.275 212 E C -2.464 174.111 176.600 -0.042 0.000 1.030 212 E CA -1.908 54.478 56.400 -0.024 0.000 0.852 212 E CB 1.455 31.139 29.700 -0.027 0.000 1.060 212 E HN 0.348 nan 8.360 nan 0.000 0.401 213 P HA -0.030 nan 4.420 nan 0.000 0.262 213 P C -0.535 176.714 177.300 -0.086 0.000 1.182 213 P CA 0.620 63.672 63.100 -0.080 0.000 0.761 213 P CB 0.257 31.906 31.700 -0.085 0.000 0.795 214 D N -0.102 120.235 120.400 -0.106 0.000 2.978 214 D HA -0.157 4.483 4.640 -0.000 0.000 0.205 214 D C 0.943 177.194 176.300 -0.083 0.000 1.093 214 D CA 1.735 55.664 54.000 -0.118 0.000 1.006 214 D CB -1.489 39.229 40.800 -0.136 0.000 1.116 214 D HN 0.591 nan 8.370 nan 0.000 0.419 215 G N 0.304 109.065 108.800 -0.065 0.000 2.716 215 G HA2 0.212 4.172 3.960 -0.000 0.000 0.251 215 G HA3 0.212 4.172 3.960 -0.000 0.000 0.251 215 G C 0.975 175.830 174.900 -0.074 0.000 1.224 215 G CA 0.226 45.289 45.100 -0.061 0.000 0.891 215 G HN 0.329 nan 8.290 nan 0.000 0.561 216 N N -1.725 116.901 118.700 -0.124 0.000 2.422 216 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 216 N C 1.316 176.700 175.510 -0.210 0.000 1.080 216 N CA 0.513 53.473 53.050 -0.150 0.000 0.893 216 N CB -0.143 38.251 38.487 -0.156 0.000 0.973 216 N HN 0.492 nan 8.380 nan 0.000 0.456 217 Y N 1.255 121.441 120.300 -0.190 0.000 2.128 217 Y HA -0.158 4.392 4.550 -0.000 0.000 0.284 217 Y C 2.194 177.980 175.900 -0.190 0.000 1.154 217 Y CA 1.298 59.261 58.100 -0.228 0.000 1.149 217 Y CB -0.932 37.427 38.460 -0.168 0.000 0.976 217 Y HN 0.157 nan 8.280 nan 0.000 0.505 218 D N -0.374 120.048 120.400 0.037 0.000 2.103 218 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 218 D C 2.037 178.333 176.300 -0.006 0.000 0.997 218 D CA 1.922 55.909 54.000 -0.021 0.000 0.833 218 D CB -0.181 40.587 40.800 -0.053 0.000 0.961 218 D HN 0.381 nan 8.370 nan 0.000 0.447 219 Q N -0.639 119.164 119.800 0.005 0.000 2.124 219 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 219 Q C 2.456 178.571 176.000 0.192 0.000 0.977 219 Q CA 1.361 57.245 55.803 0.135 0.000 0.850 219 Q CB -0.083 28.749 28.738 0.156 0.000 0.901 219 Q HN 0.486 nan 8.270 nan 0.000 0.429 220 Q N -0.175 119.588 119.800 -0.063 0.000 2.084 220 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 220 Q C 2.070 178.007 176.000 -0.106 0.000 0.978 220 Q CA 1.278 56.891 55.803 -0.316 0.000 0.844 220 Q CB -0.055 28.086 28.738 -0.995 0.000 0.898 220 Q HN 0.435 nan 8.270 nan 0.000 0.426 221 M N -0.147 119.423 119.600 -0.050 0.000 2.086 221 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 221 M C 2.137 178.545 176.300 0.179 0.000 1.067 221 M CA 1.601 56.922 55.300 0.035 0.000 1.116 221 M CB -0.183 32.405 32.600 -0.020 0.000 1.348 221 M HN 0.108 nan 8.290 nan 0.000 0.407 222 R N -0.109 120.539 120.500 0.246 0.000 2.090 222 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 222 R C 2.308 178.910 176.300 0.503 0.000 1.110 222 R CA 1.290 57.633 56.100 0.405 0.000 0.973 222 R CB -0.417 30.166 30.300 0.470 0.000 0.869 222 R HN 0.353 nan 8.270 nan 0.000 0.440 223 A N 1.218 124.356 122.820 0.531 0.000 1.930 223 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 223 A C 2.050 179.991 177.584 0.595 0.000 1.175 223 A CA 0.825 53.141 52.037 0.465 0.000 0.627 223 A CB -0.346 18.951 19.000 0.494 0.000 0.815 223 A HN 0.202 nan 8.150 nan 0.000 0.443 224 L N 0.134 121.745 121.223 0.646 0.000 2.017 224 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 224 L C 2.224 179.458 176.870 0.608 0.000 1.073 224 L CA 1.780 57.049 54.840 0.716 0.000 0.745 224 L CB -0.437 41.942 42.059 0.533 0.000 0.894 224 L HN 0.447 nan 8.230 nan 0.000 0.432 225 I N -0.925 119.909 120.570 0.439 0.000 2.179 225 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 225 I C 2.570 178.874 176.117 0.311 0.000 1.088 225 I CA 1.556 63.070 61.300 0.356 0.000 1.357 225 I CB -0.532 37.630 38.000 0.269 0.000 1.051 225 I HN 0.460 nan 8.210 nan 0.000 0.409 226 S N 1.054 116.927 115.700 0.288 0.000 2.371 226 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 226 S C 2.007 176.695 174.600 0.147 0.000 1.029 226 S CA 0.682 58.998 58.200 0.192 0.000 0.978 226 S CB -0.833 62.516 63.200 0.248 0.000 0.833 226 S HN 0.340 nan 8.310 nan 0.000 0.466 227 L N 0.845 122.208 121.223 0.232 0.000 2.012 227 L HA 0.038 4.378 4.340 -0.000 0.000 0.210 227 L C 2.279 179.313 176.870 0.273 0.000 1.073 227 L CA 2.072 57.056 54.840 0.240 0.000 0.748 227 L CB -1.123 41.095 42.059 0.266 0.000 0.891 227 L HN 0.591 nan 8.230 nan 0.000 0.431 228 W N -0.298 121.040 121.300 0.064 0.000 2.358 228 W HA -0.248 4.412 4.660 -0.000 0.000 0.303 228 W C 2.226 178.441 176.519 -0.508 0.000 1.208 228 W CA 1.896 58.946 57.345 -0.491 0.000 1.274 228 W CB -0.374 28.276 29.460 -1.349 0.000 1.138 228 W HN 0.272 nan 8.180 nan 0.000 0.515 229 L N 0.664 121.571 121.223 -0.526 0.000 2.093 229 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 229 L C 2.242 178.793 176.870 -0.531 0.000 1.085 229 L CA 1.841 56.177 54.840 -0.841 0.000 0.755 229 L CB -0.834 40.975 42.059 -0.416 0.000 0.904 229 L HN 0.104 nan 8.230 nan 0.000 0.435 230 L N -1.592 119.456 121.223 -0.291 0.000 2.217 230 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 230 L C 2.358 179.144 176.870 -0.140 0.000 1.107 230 L CA 0.788 55.522 54.840 -0.177 0.000 0.783 230 L CB -0.522 41.492 42.059 -0.074 0.000 0.919 230 L HN 0.173 nan 8.230 nan 0.000 0.442 231 S N -0.939 114.660 115.700 -0.168 0.000 2.402 231 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 231 S C 1.828 176.296 174.600 -0.220 0.000 1.021 231 S CA 1.043 59.218 58.200 -0.041 0.000 0.974 231 S CB -0.269 62.984 63.200 0.088 0.000 0.800 231 S HN 0.447 nan 8.310 nan 0.000 0.484 232 Y N 2.422 122.185 120.300 -0.894 0.000 2.337 232 Y HA 0.128 4.678 4.550 -0.000 0.000 0.293 232 Y C 1.726 177.367 175.900 -0.431 0.000 1.123 232 Y CA 0.949 58.415 58.100 -1.056 0.000 1.201 232 Y CB -0.102 37.322 38.460 -1.726 0.000 1.011 232 Y HN 0.335 nan 8.280 nan 0.000 0.545 233 I N -3.303 117.089 120.570 -0.296 0.000 3.793 233 I HA 0.434 4.604 4.170 -0.000 0.000 0.315 233 I C 1.542 177.535 176.117 -0.207 0.000 1.275 233 I CA 0.889 62.041 61.300 -0.247 0.000 1.214 233 I CB -0.062 37.841 38.000 -0.162 0.000 1.018 233 I HN 0.246 nan 8.210 nan 0.000 0.439 234 G N 1.275 109.994 108.800 -0.135 0.000 2.254 234 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.225 234 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.225 234 G C 0.728 175.665 174.900 0.061 0.000 1.003 234 G CA 0.301 45.371 45.100 -0.050 0.000 0.622 234 G HN 0.223 nan 8.290 nan 0.000 0.507 235 V N 0.330 120.242 119.914 -0.004 0.000 2.515 235 V HA 0.092 4.212 4.120 -0.000 0.000 0.250 235 V C 1.539 177.654 176.094 0.036 0.000 1.058 235 V CA 1.872 64.172 62.300 -0.000 0.000 1.064 235 V CB 0.230 32.026 31.823 -0.044 0.000 0.675 235 V HN 0.323 nan 8.190 nan 0.000 0.461 236 V N 1.859 121.814 119.914 0.067 0.000 2.398 236 V HA 0.544 4.664 4.120 -0.000 0.000 0.286 236 V C -0.257 175.950 176.094 0.188 0.000 1.026 236 V CA -0.300 62.062 62.300 0.103 0.000 0.868 236 V CB 1.469 33.355 31.823 0.104 0.000 0.982 236 V HN 0.849 nan 8.190 nan 0.000 0.443 237 N N 2.345 121.098 118.700 0.089 0.000 3.378 237 N HA 0.169 4.909 4.740 -0.000 0.000 0.294 237 N C 0.379 175.567 175.510 -0.535 0.000 1.544 237 N CA -0.783 52.259 53.050 -0.014 0.000 0.872 237 N CB 0.878 39.416 38.487 0.085 0.000 1.670 237 N HN 0.289 nan 8.380 nan 0.000 0.551 238 Q N -1.061 118.207 119.800 -0.886 0.000 2.226 238 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 238 Q C 0.650 176.315 176.000 -0.558 0.000 0.975 238 Q CA 2.051 57.136 55.803 -1.196 0.000 0.866 238 Q CB -0.201 28.033 28.738 -0.839 0.000 0.915 238 Q HN 0.816 nan 8.270 nan 0.000 0.440 239 T N -2.778 111.575 114.554 -0.335 0.000 3.107 239 T HA 0.104 4.454 4.350 -0.000 0.000 0.249 239 T C 0.065 174.677 174.700 -0.147 0.000 1.096 239 T CA 0.016 61.996 62.100 -0.200 0.000 1.012 239 T CB 0.207 68.996 68.868 -0.132 0.000 0.977 239 T HN 0.053 nan 8.240 nan 0.000 0.527 240 N N 1.582 120.190 118.700 -0.153 0.000 2.827 240 N HA 0.233 4.972 4.740 -0.000 0.000 0.240 240 N C -0.965 174.514 175.510 -0.051 0.000 1.352 240 N CA -0.229 52.773 53.050 -0.080 0.000 0.760 240 N CB 1.345 39.807 38.487 -0.041 0.000 1.426 240 N HN 0.426 nan 8.380 nan 0.000 0.561 241 T N -0.382 114.142 114.554 -0.050 0.000 2.945 241 T HA 0.647 4.996 4.350 -0.000 0.000 0.286 241 T C 0.300 175.014 174.700 0.022 0.000 1.025 241 T CA -0.766 61.341 62.100 0.012 0.000 1.039 241 T CB 0.975 69.835 68.868 -0.014 0.000 1.068 241 T HN 0.210 nan 8.240 nan 0.000 0.497 242 I N 2.322 122.930 120.570 0.062 0.000 2.297 242 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 242 I C 0.502 176.675 176.117 0.094 0.000 1.033 242 I CA -0.608 60.715 61.300 0.038 0.000 1.253 242 I CB 0.852 38.849 38.000 -0.006 0.000 1.396 242 I HN 0.924 nan 8.210 nan 0.000 0.476 243 S N 4.651 120.393 115.700 0.069 0.000 3.473 243 S HA -0.236 4.233 4.470 -0.000 0.000 0.339 243 S C 1.232 175.872 174.600 0.067 0.000 1.148 243 S CA 0.958 59.232 58.200 0.123 0.000 0.969 243 S CB -1.289 62.052 63.200 0.234 0.000 0.936 243 S HN 1.323 nan 8.310 nan 0.000 0.530 244 G N -1.308 107.423 108.800 -0.114 0.000 2.195 244 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.224 244 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.224 244 G C -0.111 174.511 174.900 -0.463 0.000 0.990 244 G CA -0.018 44.771 45.100 -0.518 0.000 0.639 244 G HN 0.594 nan 8.290 nan 0.000 0.514 245 F N 0.689 120.665 119.950 0.043 0.000 2.425 245 F HA 0.784 5.310 4.527 -0.000 0.000 0.331 245 F C 0.366 176.224 175.800 0.097 0.000 1.085 245 F CA -0.672 57.350 58.000 0.037 0.000 1.028 245 F CB 1.454 40.359 39.000 -0.159 0.000 1.177 245 F HN 0.363 nan 8.300 nan 0.000 0.487 246 Y N -0.335 120.023 120.300 0.097 0.000 2.604 246 Y HA 0.635 5.185 4.550 -0.000 0.000 0.331 246 Y C -2.155 173.776 175.900 0.053 0.000 1.158 246 Y CA -2.498 55.659 58.100 0.094 0.000 1.056 246 Y CB 0.485 39.014 38.460 0.114 0.000 1.330 246 Y HN 0.387 nan 8.280 nan 0.000 0.457 247 F N 1.907 122.018 119.950 0.268 0.000 2.399 247 F HA 0.672 5.199 4.527 -0.000 0.000 0.334 247 F C 0.611 176.766 175.800 0.592 0.000 1.097 247 F CA -0.317 57.878 58.000 0.324 0.000 1.076 247 F CB 2.038 41.289 39.000 0.418 0.000 1.162 247 F HN 0.646 nan 8.300 nan 0.000 0.495 248 S N 1.782 117.879 115.700 0.662 0.000 2.568 248 S HA 0.726 5.195 4.470 -0.000 0.000 0.293 248 S C -1.049 173.696 174.600 0.241 0.000 1.089 248 S CA -0.456 58.059 58.200 0.524 0.000 0.945 248 S CB 1.644 65.156 63.200 0.520 0.000 1.077 248 S HN 0.602 nan 8.310 nan 0.000 0.485 249 S N 1.913 117.551 115.700 -0.104 0.000 2.575 249 S HA 0.421 4.890 4.470 -0.000 0.000 0.278 249 S C 0.349 174.849 174.600 -0.167 0.000 1.139 249 S CA -0.717 57.289 58.200 -0.324 0.000 0.954 249 S CB 1.191 63.770 63.200 -1.035 0.000 1.054 249 S HN 0.789 nan 8.310 nan 0.000 0.483 250 K N 1.308 121.650 120.400 -0.098 0.000 2.097 250 K HA 0.001 4.320 4.320 -0.000 0.000 0.206 250 K C 0.990 177.585 176.600 -0.008 0.000 1.049 250 K CA 1.355 57.606 56.287 -0.059 0.000 0.933 250 K CB -0.261 32.220 32.500 -0.031 0.000 0.717 250 K HN 0.757 nan 8.250 nan 0.000 0.442 251 T N -0.911 113.630 114.554 -0.022 0.000 2.940 251 T HA 0.580 4.930 4.350 -0.000 0.000 0.288 251 T C -0.779 173.933 174.700 0.020 0.000 1.033 251 T CA -1.118 60.992 62.100 0.017 0.000 1.033 251 T CB 2.077 70.924 68.868 -0.035 0.000 1.079 251 T HN -0.089 nan 8.240 nan 0.000 0.496 252 R N -0.044 120.483 120.500 0.044 0.000 2.514 252 R HA 0.600 4.940 4.340 -0.000 0.000 0.296 252 R C 0.666 176.956 176.300 -0.016 0.000 1.012 252 R CA 0.490 56.579 56.100 -0.018 0.000 0.897 252 R CB 0.744 30.945 30.300 -0.164 0.000 1.184 252 R HN 1.417 nan 8.270 nan 0.000 0.440 253 G N 2.148 110.967 108.800 0.031 0.000 2.132 253 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.234 253 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.234 253 G C -0.230 174.735 174.900 0.110 0.000 0.989 253 G CA 0.538 45.692 45.100 0.090 0.000 0.676 253 G HN 0.684 nan 8.290 nan 0.000 0.522 254 Q N -1.138 118.607 119.800 -0.091 0.000 2.552 254 Q HA 0.794 5.134 4.340 -0.000 0.000 0.289 254 Q C 1.608 177.101 176.000 -0.844 0.000 1.097 254 Q CA 0.171 55.712 55.803 -0.436 0.000 0.812 254 Q CB 1.250 29.865 28.738 -0.205 0.000 1.460 254 Q HN 0.732 nan 8.270 nan 0.000 0.452 255 A N 0.983 123.065 122.820 -1.230 0.000 1.940 255 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 255 A C 1.547 178.960 177.584 -0.285 0.000 1.176 255 A CA 1.310 52.887 52.037 -0.767 0.000 0.631 255 A CB -0.660 18.076 19.000 -0.439 0.000 0.814 255 A HN 0.641 nan 8.150 nan 0.000 0.446 256 L N 0.451 121.546 121.223 -0.214 0.000 2.645 256 L HA 0.074 4.414 4.340 -0.000 0.000 0.234 256 L C -0.635 176.187 176.870 -0.080 0.000 1.165 256 L CA -0.528 54.251 54.840 -0.102 0.000 0.944 256 L CB -0.559 41.454 42.059 -0.076 0.000 1.149 256 L HN 0.160 nan 8.230 nan 0.000 0.446 257 D N 0.528 120.880 120.400 -0.080 0.000 2.417 257 D HA 0.155 4.795 4.640 -0.000 0.000 0.250 257 D C 0.077 176.355 176.300 -0.037 0.000 1.166 257 D CA 0.707 54.657 54.000 -0.083 0.000 0.881 257 D CB 1.123 41.944 40.800 0.034 0.000 1.164 257 D HN -0.118 nan 8.370 nan 0.000 0.467 258 S N 2.093 117.697 115.700 -0.159 0.000 2.649 258 S HA 0.349 4.819 4.470 -0.000 0.000 0.274 258 S C -1.725 172.846 174.600 -0.048 0.000 1.176 258 S CA -0.782 57.418 58.200 -0.000 0.000 0.988 258 S CB 0.233 63.455 63.200 0.036 0.000 1.071 258 S HN 0.346 nan 8.310 nan 0.000 0.478 259 W N 3.192 124.661 121.300 0.282 0.000 2.314 259 W HA 0.465 5.125 4.660 -0.000 0.000 0.310 259 W C 0.286 177.040 176.519 0.391 0.000 1.075 259 W CA -0.413 57.143 57.345 0.352 0.000 1.253 259 W CB 1.555 31.220 29.460 0.341 0.000 1.238 259 W HN 0.384 nan 8.180 nan 0.000 0.440 260 T N 4.471 119.301 114.554 0.460 0.000 2.823 260 T HA 0.324 4.673 4.350 -0.000 0.000 0.279 260 T C -0.823 173.737 174.700 -0.233 0.000 0.998 260 T CA -0.732 61.398 62.100 0.051 0.000 0.994 260 T CB 1.140 69.824 68.868 -0.306 0.000 0.960 260 T HN 0.169 nan 8.240 nan 0.000 0.448 261 L N 4.450 125.406 121.223 -0.445 0.000 2.361 261 L HA 0.506 4.846 4.340 -0.000 0.000 0.278 261 L C -1.350 174.907 176.870 -1.022 0.000 1.113 261 L CA 0.349 54.702 54.840 -0.811 0.000 0.849 261 L CB -0.661 41.059 42.059 -0.565 0.000 1.155 261 L HN 0.463 nan 8.230 nan 0.000 0.452 262 F N 4.660 124.193 119.950 -0.696 0.000 2.639 262 F HA 0.552 5.079 4.527 -0.000 0.000 0.339 262 F C -0.857 174.747 175.800 -0.326 0.000 1.071 262 F CA -0.626 56.952 58.000 -0.703 0.000 0.994 262 F CB 1.400 39.912 39.000 -0.813 0.000 1.341 262 F HN 0.360 nan 8.300 nan 0.000 0.498 263 Y N 0.403 120.809 120.300 0.176 0.000 2.442 263 Y HA 0.487 5.037 4.550 -0.000 0.000 0.330 263 Y C -0.796 175.194 175.900 0.150 0.000 1.100 263 Y CA -0.799 57.336 58.100 0.058 0.000 1.034 263 Y CB 1.598 40.014 38.460 -0.074 0.000 1.285 263 Y HN 0.663 nan 8.280 nan 0.000 0.440 264 T N 0.804 115.016 114.554 -0.570 0.000 2.885 264 T HA 0.320 4.670 4.350 -0.000 0.000 0.285 264 T C 0.273 174.530 174.700 -0.739 0.000 1.019 264 T CA -0.380 61.465 62.100 -0.424 0.000 1.010 264 T CB 1.885 70.627 68.868 -0.209 0.000 1.022 264 T HN 0.639 nan 8.240 nan 0.000 0.466 265 T N 1.198 115.572 114.554 -0.300 0.000 3.009 265 T HA 0.066 4.416 4.350 -0.000 0.000 0.258 265 T C 1.512 176.134 174.700 -0.130 0.000 1.063 265 T CA 0.872 62.886 62.100 -0.143 0.000 1.139 265 T CB -0.235 68.635 68.868 0.004 0.000 0.890 265 T HN 0.856 nan 8.240 nan 0.000 0.471 266 N N 1.095 119.717 118.700 -0.130 0.000 2.200 266 N HA 0.031 4.771 4.740 -0.000 0.000 0.224 266 N C 0.167 175.614 175.510 -0.105 0.000 1.179 266 N CA -0.209 52.785 53.050 -0.093 0.000 0.877 266 N CB 0.583 39.028 38.487 -0.070 0.000 1.072 266 N HN 0.351 nan 8.380 nan 0.000 0.519 267 T N -1.937 112.533 114.554 -0.138 0.000 2.940 267 T HA 0.303 4.653 4.350 -0.000 0.000 0.288 267 T C -0.211 174.417 174.700 -0.120 0.000 1.045 267 T CA -0.772 61.248 62.100 -0.133 0.000 1.018 267 T CB 1.583 70.348 68.868 -0.172 0.000 1.151 267 T HN 0.005 nan 8.240 nan 0.000 0.529 268 N N 0.785 119.426 118.700 -0.099 0.000 2.294 268 N HA 0.022 4.762 4.740 -0.000 0.000 0.263 268 N C -0.341 175.123 175.510 -0.076 0.000 1.281 268 N CA 0.209 53.213 53.050 -0.076 0.000 0.846 268 N CB 0.160 38.609 38.487 -0.063 0.000 1.061 268 N HN 0.450 nan 8.380 nan 0.000 0.478 269 R N 2.359 122.825 120.500 -0.057 0.000 2.346 269 R HA 0.315 4.655 4.340 -0.000 0.000 0.311 269 R C -0.255 176.032 176.300 -0.022 0.000 0.983 269 R CA -1.061 55.014 56.100 -0.041 0.000 0.880 269 R CB 0.956 31.235 30.300 -0.034 0.000 1.100 269 R HN 0.432 nan 8.270 nan 0.000 0.453 270 V N 0.409 120.315 119.914 -0.014 0.000 2.963 270 V HA 0.084 4.203 4.120 -0.000 0.000 0.306 270 V C 0.085 176.180 176.094 0.001 0.000 1.077 270 V CA -0.360 61.936 62.300 -0.006 0.000 1.124 270 V CB 0.922 32.743 31.823 -0.002 0.000 0.987 270 V HN 0.658 nan 8.190 nan 0.000 0.487 271 Q N 3.127 122.932 119.800 0.008 0.000 2.571 271 Q HA 0.495 4.835 4.340 -0.000 0.000 0.243 271 Q C -0.641 175.378 176.000 0.032 0.000 1.055 271 Q CA -0.310 55.503 55.803 0.017 0.000 0.815 271 Q CB 1.203 29.950 28.738 0.016 0.000 1.151 271 Q HN 0.859 nan 8.270 nan 0.000 0.519 272 I N 0.576 121.166 120.570 0.034 0.000 2.556 272 I HA 0.005 4.175 4.170 -0.000 0.000 0.284 272 I C 1.402 177.562 176.117 0.072 0.000 1.114 272 I CA 0.453 61.796 61.300 0.072 0.000 1.418 272 I CB 0.780 38.818 38.000 0.063 0.000 1.394 272 I HN 0.298 nan 8.210 nan 0.000 0.552 273 T N 4.166 118.774 114.554 0.091 0.000 2.978 273 T HA 0.092 4.442 4.350 -0.000 0.000 0.248 273 T C 0.235 174.942 174.700 0.012 0.000 1.018 273 T CA 0.178 62.309 62.100 0.051 0.000 1.026 273 T CB 0.255 69.153 68.868 0.050 0.000 1.032 273 T HN 0.766 nan 8.240 nan 0.000 0.485 274 Q N 0.066 119.842 119.800 -0.041 0.000 2.553 274 Q HA 0.561 4.901 4.340 -0.000 0.000 0.293 274 Q C -1.015 174.780 176.000 -0.341 0.000 1.038 274 Q CA -1.096 54.602 55.803 -0.174 0.000 0.777 274 Q CB 1.826 30.427 28.738 -0.228 0.000 1.487 274 Q HN -0.022 nan 8.270 nan 0.000 0.426 275 R N 0.500 120.834 120.500 -0.278 0.000 2.442 275 R HA 0.221 4.561 4.340 -0.000 0.000 0.291 275 R C -1.147 174.813 176.300 -0.567 0.000 1.069 275 R CA 0.251 56.217 56.100 -0.224 0.000 1.022 275 R CB 0.361 30.606 30.300 -0.090 0.000 0.976 275 R HN 0.642 nan 8.270 nan 0.000 0.443 276 H N 2.828 121.766 119.070 -0.219 0.000 2.538 276 H HA 0.396 4.952 4.556 -0.000 0.000 0.353 276 H C -1.392 173.704 175.328 -0.387 0.000 1.109 276 H CA -0.493 55.186 56.048 -0.615 0.000 1.192 276 H CB 1.613 30.477 29.762 -1.497 0.000 1.555 276 H HN 0.460 nan 8.280 nan 0.000 0.518 277 F N 1.780 121.553 119.950 -0.296 0.000 2.581 277 F HA 0.764 5.291 4.527 -0.000 0.000 0.311 277 F C -1.544 174.331 175.800 0.125 0.000 1.113 277 F CA -0.495 57.448 58.000 -0.096 0.000 0.935 277 F CB 1.370 40.220 39.000 -0.250 0.000 1.232 277 F HN 0.720 nan 8.300 nan 0.000 0.445 278 A N 3.721 125.970 122.820 -0.953 0.000 2.572 278 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 278 A C -2.447 174.471 177.584 -1.110 0.000 1.072 278 A CA -0.548 51.046 52.037 -0.737 0.000 0.691 278 A CB 0.941 19.841 19.000 -0.166 0.000 1.291 278 A HN 0.640 nan 8.150 nan 0.000 0.404 279 Y N 0.212 120.287 120.300 -0.375 0.000 2.320 279 Y HA 0.550 5.100 4.550 -0.000 0.000 0.334 279 Y C 0.058 175.994 175.900 0.060 0.000 1.055 279 Y CA -0.603 57.457 58.100 -0.067 0.000 1.143 279 Y CB 1.895 40.476 38.460 0.201 0.000 1.193 279 Y HN 0.392 nan 8.280 nan 0.000 0.477 280 V N 3.340 123.409 119.914 0.258 0.000 2.569 280 V HA 0.420 4.540 4.120 -0.000 0.000 0.301 280 V C -0.453 175.863 176.094 0.370 0.000 1.044 280 V CA -1.135 61.319 62.300 0.256 0.000 0.874 280 V CB 1.295 33.223 31.823 0.174 0.000 1.002 280 V HN 0.989 nan 8.190 nan 0.000 0.424 281 C N 2.590 122.066 119.300 0.295 0.000 2.470 281 C HA 0.981 5.441 4.460 -0.000 0.000 0.341 281 C C 0.601 175.616 174.990 0.043 0.000 1.190 281 C CA -0.727 58.435 59.018 0.240 0.000 1.904 281 C CB 1.153 28.898 27.740 0.008 0.000 2.354 281 C HN 1.192 nan 8.230 nan 0.000 0.509 282 A N 1.861 124.490 122.820 -0.319 0.000 2.362 282 A HA 0.480 4.800 4.320 -0.000 0.000 0.276 282 A C 1.320 178.655 177.584 -0.415 0.000 1.153 282 A CA -0.439 51.149 52.037 -0.749 0.000 0.813 282 A CB 0.140 18.433 19.000 -1.178 0.000 1.081 282 A HN 1.072 nan 8.150 nan 0.000 0.507 283 R N 2.030 122.349 120.500 -0.302 0.000 2.075 283 R HA -0.033 4.306 4.340 -0.000 0.000 0.226 283 R C 0.791 176.937 176.300 -0.256 0.000 1.114 283 R CA 1.420 57.387 56.100 -0.221 0.000 0.972 283 R CB -0.110 30.098 30.300 -0.152 0.000 0.869 283 R HN 0.798 nan 8.270 nan 0.000 0.437 284 S N 0.376 115.902 115.700 -0.291 0.000 2.586 284 S HA 0.262 4.732 4.470 -0.000 0.000 0.274 284 S C -2.090 172.215 174.600 -0.492 0.000 1.281 284 S CA -1.514 56.397 58.200 -0.480 0.000 1.035 284 S CB 1.669 64.651 63.200 -0.362 0.000 0.962 284 S HN 0.025 nan 8.310 nan 0.000 0.512 285 P HA -0.055 nan 4.420 nan 0.000 0.223 285 P C 0.584 177.369 177.300 -0.859 0.000 1.151 285 P CA 0.909 63.385 63.100 -1.040 0.000 0.787 285 P CB -0.248 30.339 31.700 -1.855 0.000 0.788 286 D N -0.703 119.373 120.400 -0.540 0.000 2.403 286 D HA -0.204 4.436 4.640 -0.000 0.000 0.227 286 D C 1.672 177.871 176.300 -0.168 0.000 0.995 286 D CA 0.364 54.225 54.000 -0.231 0.000 0.928 286 D CB -1.554 39.280 40.800 0.056 0.000 0.887 286 D HN 0.438 nan 8.370 nan 0.000 0.529 287 W N 1.512 122.659 121.300 -0.257 0.000 2.350 287 W HA -0.126 4.534 4.660 -0.000 0.000 0.289 287 W C 1.013 177.493 176.519 -0.066 0.000 1.215 287 W CA 0.404 57.631 57.345 -0.197 0.000 1.236 287 W CB -1.151 28.099 29.460 -0.352 0.000 1.130 287 W HN -0.104 nan 8.180 nan 0.000 0.541 288 N N 1.443 119.505 118.700 -1.063 0.000 2.247 288 N HA -0.177 4.563 4.740 -0.000 0.000 0.189 288 N C 1.611 176.959 175.510 -0.270 0.000 1.009 288 N CA 2.107 54.570 53.050 -0.979 0.000 0.872 288 N CB -0.284 37.502 38.487 -1.169 0.000 0.980 288 N HN 0.202 nan 8.380 nan 0.000 0.436 289 V N 0.275 120.138 119.914 -0.084 0.000 3.578 289 V HA 0.047 4.167 4.120 -0.000 0.000 0.290 289 V C -0.159 176.094 176.094 0.266 0.000 1.376 289 V CA 0.074 62.497 62.300 0.204 0.000 1.083 289 V CB 0.160 32.169 31.823 0.310 0.000 0.911 289 V HN -0.002 nan 8.190 nan 0.000 0.433 290 D N 0.683 121.249 120.400 0.276 0.000 2.441 290 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 290 D C 1.149 177.671 176.300 0.371 0.000 1.156 290 D CA -0.073 54.157 54.000 0.382 0.000 0.896 290 D CB 1.174 42.254 40.800 0.467 0.000 1.028 290 D HN 0.292 nan 8.370 nan 0.000 0.509 291 K N 0.851 121.433 120.400 0.304 0.000 2.209 291 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 291 K C 1.800 178.515 176.600 0.192 0.000 1.048 291 K CA 0.807 57.232 56.287 0.229 0.000 0.940 291 K CB 0.290 32.903 32.500 0.188 0.000 0.729 291 K HN 0.200 nan 8.250 nan 0.000 0.451 292 S N 0.352 116.204 115.700 0.252 0.000 2.377 292 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 292 S C 1.322 175.766 174.600 -0.261 0.000 1.030 292 S CA 0.450 58.684 58.200 0.057 0.000 0.970 292 S CB -0.221 63.115 63.200 0.226 0.000 0.830 292 S HN 0.468 nan 8.310 nan 0.000 0.473 293 W N 2.131 123.387 121.300 -0.073 0.000 2.363 293 W HA -0.016 4.644 4.660 -0.000 0.000 0.296 293 W C 1.575 178.085 176.519 -0.015 0.000 1.212 293 W CA 0.941 58.268 57.345 -0.030 0.000 1.260 293 W CB -0.371 29.192 29.460 0.171 0.000 1.131 293 W HN 0.265 nan 8.180 nan 0.000 0.530 294 I N 0.436 121.168 120.570 0.270 0.000 2.480 294 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 294 I C 2.648 178.795 176.117 0.049 0.000 1.124 294 I CA 1.111 62.557 61.300 0.242 0.000 1.444 294 I CB -0.758 37.430 38.000 0.314 0.000 1.098 294 I HN -0.162 nan 8.210 nan 0.000 0.428 295 A N 0.750 123.544 122.820 -0.044 0.000 1.902 295 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 295 A C 2.466 179.908 177.584 -0.236 0.000 1.181 295 A CA 1.773 53.711 52.037 -0.165 0.000 0.623 295 A CB -0.739 18.095 19.000 -0.276 0.000 0.818 295 A HN 0.407 nan 8.150 nan 0.000 0.443 296 A N -0.568 122.076 122.820 -0.293 0.000 2.067 296 A HA 0.295 4.615 4.320 -0.000 0.000 0.219 296 A C 2.297 179.765 177.584 -0.193 0.000 1.158 296 A CA 1.636 53.511 52.037 -0.269 0.000 0.661 296 A CB -0.613 18.097 19.000 -0.484 0.000 0.801 296 A HN 0.942 nan 8.150 nan 0.000 0.452 297 A N -0.112 122.607 122.820 -0.167 0.000 2.021 297 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 297 A C 1.915 179.498 177.584 -0.002 0.000 1.163 297 A CA 1.064 53.070 52.037 -0.052 0.000 0.676 297 A CB -0.412 18.603 19.000 0.024 0.000 0.818 297 A HN 0.540 nan 8.150 nan 0.000 0.453 298 N N 0.332 119.020 118.700 -0.019 0.000 2.142 298 N HA -0.074 4.666 4.740 -0.000 0.000 0.186 298 N C 1.675 177.165 175.510 -0.034 0.000 1.023 298 N CA 1.310 54.352 53.050 -0.012 0.000 0.852 298 N CB -0.254 38.221 38.487 -0.021 0.000 0.998 298 N HN 0.442 nan 8.380 nan 0.000 0.424 299 L N 0.747 121.932 121.223 -0.063 0.000 2.156 299 L HA -0.086 4.253 4.340 -0.000 0.000 0.208 299 L C 2.222 179.074 176.870 -0.030 0.000 1.095 299 L CA 0.904 55.709 54.840 -0.058 0.000 0.770 299 L CB -0.737 41.285 42.059 -0.062 0.000 0.914 299 L HN 0.133 nan 8.230 nan 0.000 0.439 300 T N 0.225 114.783 114.554 0.006 0.000 2.720 300 T HA -0.186 4.163 4.350 -0.000 0.000 0.268 300 T C 1.962 176.685 174.700 0.039 0.000 1.037 300 T CA 1.497 63.633 62.100 0.061 0.000 1.144 300 T CB -0.127 68.824 68.868 0.137 0.000 0.864 300 T HN 0.460 nan 8.240 nan 0.000 0.444 301 A N 0.639 123.480 122.820 0.035 0.000 2.014 301 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 301 A C 2.222 179.795 177.584 -0.019 0.000 1.163 301 A CA 0.867 52.919 52.037 0.024 0.000 0.652 301 A CB -0.597 18.419 19.000 0.027 0.000 0.808 301 A HN 0.546 nan 8.150 nan 0.000 0.449 302 I N -0.771 119.777 120.570 -0.037 0.000 2.233 302 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 302 I C 2.307 178.377 176.117 -0.079 0.000 1.093 302 I CA 0.873 62.140 61.300 -0.055 0.000 1.380 302 I CB -0.426 37.530 38.000 -0.074 0.000 1.067 302 I HN 0.120 nan 8.210 nan 0.000 0.413 303 V N 0.860 120.700 119.914 -0.123 0.000 2.287 303 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 303 V C 2.465 178.411 176.094 -0.248 0.000 1.053 303 V CA 2.072 64.234 62.300 -0.230 0.000 1.027 303 V CB -0.466 31.134 31.823 -0.373 0.000 0.646 303 V HN 0.395 nan 8.190 nan 0.000 0.447 304 M N -0.528 118.975 119.600 -0.163 0.000 2.319 304 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 304 M C 2.261 178.569 176.300 0.014 0.000 1.068 304 M CA 1.564 56.831 55.300 -0.055 0.000 1.118 304 M CB -0.459 32.190 32.600 0.083 0.000 1.395 304 M HN 0.385 nan 8.290 nan 0.000 0.435 305 A N 0.024 122.863 122.820 0.031 0.000 1.972 305 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 305 A C 2.243 179.887 177.584 0.099 0.000 1.169 305 A CA 1.717 53.846 52.037 0.153 0.000 0.635 305 A CB -1.086 18.007 19.000 0.155 0.000 0.810 305 A HN 0.771 nan 8.150 nan 0.000 0.446 306 C N -0.609 118.695 119.300 0.006 0.000 2.697 306 C HA 0.518 4.978 4.460 -0.000 0.000 0.267 306 C C 1.111 176.069 174.990 -0.054 0.000 1.278 306 C CA -0.191 58.815 59.018 -0.020 0.000 1.708 306 C CB -1.526 26.194 27.740 -0.035 0.000 1.860 306 C HN 0.615 nan 8.230 nan 0.000 0.589 307 R N -0.833 119.626 120.500 -0.067 0.000 2.922 307 R HA 0.606 4.946 4.340 -0.000 0.000 0.256 307 R C -1.132 175.118 176.300 -0.084 0.000 1.138 307 R CA -0.656 55.395 56.100 -0.081 0.000 0.995 307 R CB 0.205 30.451 30.300 -0.089 0.000 1.226 307 R HN -0.002 nan 8.270 nan 0.000 0.481 308 Q N 1.844 121.591 119.800 -0.088 0.000 2.377 308 Q HA 0.332 4.672 4.340 -0.000 0.000 0.249 308 Q C -2.065 173.890 176.000 -0.075 0.000 1.005 308 Q CA -1.763 53.992 55.803 -0.081 0.000 0.912 308 Q CB 1.456 30.142 28.738 -0.087 0.000 1.223 308 Q HN 0.453 nan 8.270 nan 0.000 0.459 309 P HA 0.356 nan 4.420 nan 0.000 0.279 309 P C -2.509 174.724 177.300 -0.112 0.000 1.276 309 P CA -1.777 61.308 63.100 -0.024 0.000 0.801 309 P CB -0.278 31.489 31.700 0.111 0.000 1.127 310 P HA 0.002 nan 4.420 nan 0.000 0.262 310 P C -0.368 176.854 177.300 -0.130 0.000 1.182 310 P CA 0.274 63.251 63.100 -0.204 0.000 0.761 310 P CB 0.024 31.465 31.700 -0.431 0.000 0.795 311 V N 4.907 124.739 119.914 -0.137 0.000 2.655 311 V HA 0.014 4.134 4.120 -0.000 0.000 0.300 311 V C 0.649 176.662 176.094 -0.135 0.000 1.044 311 V CA 0.145 62.329 62.300 -0.193 0.000 1.095 311 V CB -0.607 31.164 31.823 -0.088 0.000 0.952 311 V HN 0.330 nan 8.190 nan 0.000 0.485 312 F N 2.323 122.191 119.950 -0.137 0.000 2.459 312 F HA 0.453 4.979 4.527 -0.000 0.000 0.346 312 F C 0.996 176.765 175.800 -0.052 0.000 1.128 312 F CA -0.160 57.760 58.000 -0.134 0.000 1.268 312 F CB 0.278 39.068 39.000 -0.350 0.000 1.161 312 F HN 0.605 nan 8.300 nan 0.000 0.583 313 A N 2.772 125.715 122.820 0.205 0.000 2.511 313 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 313 A C 1.389 179.023 177.584 0.083 0.000 1.069 313 A CA -0.472 51.630 52.037 0.108 0.000 0.763 313 A CB -0.032 19.012 19.000 0.074 0.000 1.001 313 A HN 0.821 nan 8.150 nan 0.000 0.498 314 N N 1.039 119.776 118.700 0.063 0.000 2.192 314 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 314 N C 1.635 177.157 175.510 0.019 0.000 1.013 314 N CA 1.803 54.882 53.050 0.049 0.000 0.863 314 N CB -0.196 38.317 38.487 0.044 0.000 0.990 314 N HN 0.823 nan 8.380 nan 0.000 0.430 315 Q N -0.496 119.309 119.800 0.009 0.000 2.170 315 Q HA -0.034 4.305 4.340 -0.000 0.000 0.203 315 Q C 1.856 177.831 176.000 -0.042 0.000 0.976 315 Q CA 1.195 56.990 55.803 -0.012 0.000 0.858 315 Q CB -0.198 28.532 28.738 -0.013 0.000 0.907 315 Q HN 0.409 nan 8.270 nan 0.000 0.433 316 G N 0.336 109.103 108.800 -0.056 0.000 2.650 316 G HA2 0.040 4.000 3.960 -0.000 0.000 0.214 316 G HA3 0.040 4.000 3.960 -0.000 0.000 0.214 316 G C 0.501 175.271 174.900 -0.217 0.000 1.136 316 G CA 0.651 45.672 45.100 -0.131 0.000 0.789 316 G HN 0.241 nan 8.290 nan 0.000 0.536 317 V N -1.234 118.589 119.914 -0.151 0.000 3.001 317 V HA 0.735 4.855 4.120 -0.000 0.000 0.314 317 V C 0.317 176.378 176.094 -0.055 0.000 1.099 317 V CA -2.015 60.203 62.300 -0.137 0.000 0.989 317 V CB 1.804 33.574 31.823 -0.088 0.000 1.040 317 V HN 0.320 nan 8.190 nan 0.000 0.434 318 I N 0.730 121.279 120.570 -0.036 0.000 2.993 318 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 318 I C 1.356 177.489 176.117 0.027 0.000 1.215 318 I CA 0.015 61.319 61.300 0.007 0.000 1.393 318 I CB 0.074 38.101 38.000 0.045 0.000 1.371 318 I HN 0.680 nan 8.210 nan 0.000 0.602 319 N N 2.882 121.606 118.700 0.040 0.000 2.060 319 N HA -0.237 4.503 4.740 -0.000 0.000 0.195 319 N C 1.535 177.093 175.510 0.080 0.000 1.028 319 N CA 1.944 55.025 53.050 0.051 0.000 0.861 319 N CB -0.503 38.011 38.487 0.046 0.000 1.029 319 N HN 0.699 nan 8.380 nan 0.000 0.428 320 Q N -0.063 119.805 119.800 0.114 0.000 2.364 320 Q HA 0.156 4.496 4.340 -0.000 0.000 0.207 320 Q C 1.467 177.561 176.000 0.157 0.000 0.970 320 Q CA 1.120 57.037 55.803 0.190 0.000 0.888 320 Q CB -0.040 28.851 28.738 0.255 0.000 0.951 320 Q HN 0.393 nan 8.270 nan 0.000 0.469 321 A N -0.076 122.705 122.820 -0.065 0.000 2.275 321 A HA 0.047 4.366 4.320 -0.000 0.000 0.212 321 A C 0.385 178.055 177.584 0.144 0.000 1.201 321 A CA -0.153 51.728 52.037 -0.259 0.000 0.843 321 A CB 0.150 18.855 19.000 -0.493 0.000 0.873 321 A HN 0.236 nan 8.150 nan 0.000 0.492 322 Q N 0.351 120.224 119.800 0.123 0.000 2.299 322 Q HA 0.224 4.564 4.340 -0.000 0.000 0.246 322 Q C -0.377 175.682 176.000 0.099 0.000 0.935 322 Q CA -0.560 55.311 55.803 0.113 0.000 0.887 322 Q CB 0.414 29.197 28.738 0.075 0.000 1.223 322 Q HN 0.451 nan 8.270 nan 0.000 0.439 323 N N 1.055 119.798 118.700 0.072 0.000 2.780 323 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 323 N C -0.992 174.486 175.510 -0.053 0.000 1.102 323 N CA 0.662 53.725 53.050 0.020 0.000 0.697 323 N CB -0.674 37.827 38.487 0.024 0.000 1.028 323 N HN 0.445 nan 8.380 nan 0.000 0.554 324 R N 1.431 121.869 120.500 -0.104 0.000 2.204 324 R HA 0.355 4.695 4.340 -0.000 0.000 0.341 324 R C -2.447 173.740 176.300 -0.188 0.000 1.035 324 R CA -1.713 54.176 56.100 -0.352 0.000 0.887 324 R CB 0.570 30.314 30.300 -0.926 0.000 1.114 324 R HN -0.070 nan 8.270 nan 0.000 0.473 325 P HA 0.024 nan 4.420 nan 0.000 0.261 325 P C 0.480 177.736 177.300 -0.072 0.000 1.173 325 P CA 1.334 64.381 63.100 -0.089 0.000 0.760 325 P CB 0.729 32.379 31.700 -0.084 0.000 0.783 326 G N 1.656 110.435 108.800 -0.035 0.000 2.225 326 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.254 326 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.254 326 G C 0.512 175.434 174.900 0.036 0.000 0.988 326 G CA 0.330 45.419 45.100 -0.018 0.000 0.625 326 G HN 0.526 nan 8.290 nan 0.000 0.527 327 F N 1.711 121.591 119.950 -0.116 0.000 2.532 327 F HA 0.496 5.023 4.527 -0.000 0.000 0.276 327 F C 1.097 176.924 175.800 0.045 0.000 0.911 327 F CA 1.511 59.484 58.000 -0.046 0.000 1.196 327 F CB 0.663 39.612 39.000 -0.086 0.000 1.087 327 F HN 0.574 nan 8.300 nan 0.000 0.775 328 S N 1.416 117.217 115.700 0.168 0.000 2.536 328 S HA 0.716 5.186 4.470 -0.000 0.000 0.271 328 S C -0.802 173.847 174.600 0.082 0.000 1.134 328 S CA -0.541 57.747 58.200 0.146 0.000 0.897 328 S CB 2.161 65.535 63.200 0.290 0.000 1.094 328 S HN 0.461 nan 8.310 nan 0.000 0.473 329 M N 0.451 120.090 119.600 0.064 0.000 2.790 329 M HA 0.532 5.012 4.480 -0.000 0.000 0.272 329 M C -2.168 174.155 176.300 0.039 0.000 1.168 329 M CA -0.822 54.501 55.300 0.039 0.000 0.829 329 M CB 1.216 33.826 32.600 0.018 0.000 1.675 329 M HN 0.446 nan 8.290 nan 0.000 0.505 330 N N 1.073 119.790 118.700 0.029 0.000 2.483 330 N HA 0.351 5.091 4.740 -0.000 0.000 0.264 330 N C 0.958 176.484 175.510 0.026 0.000 1.197 330 N CA 1.608 54.675 53.050 0.027 0.000 0.927 330 N CB 0.820 39.319 38.487 0.021 0.000 1.065 330 N HN 1.060 nan 8.380 nan 0.000 0.461 331 G N 0.534 109.353 108.800 0.030 0.000 2.153 331 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 331 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 331 G C 0.636 175.560 174.900 0.041 0.000 0.994 331 G CA 0.228 45.347 45.100 0.032 0.000 0.698 331 G HN 0.877 nan 8.290 nan 0.000 0.521 332 G N -0.838 107.994 108.800 0.053 0.000 2.683 332 G HA2 0.497 4.457 3.960 -0.000 0.000 0.260 332 G HA3 0.497 4.457 3.960 -0.000 0.000 0.260 332 G C 0.498 175.465 174.900 0.111 0.000 1.238 332 G CA 0.496 45.640 45.100 0.072 0.000 0.934 332 G HN 0.702 nan 8.290 nan 0.000 0.534 333 T N 2.785 117.439 114.554 0.166 0.000 2.867 333 T HA 0.275 4.625 4.350 -0.000 0.000 0.297 333 T C -2.030 172.834 174.700 0.272 0.000 0.989 333 T CA -0.265 61.985 62.100 0.251 0.000 1.159 333 T CB 0.968 70.069 68.868 0.387 0.000 0.928 333 T HN 0.223 nan 8.240 nan 0.000 0.538 334 P HA 0.189 nan 4.420 nan 0.000 0.272 334 P C -0.762 176.583 177.300 0.074 0.000 1.223 334 P CA -0.470 62.648 63.100 0.030 0.000 0.784 334 P CB 0.455 32.058 31.700 -0.162 0.000 0.923 335 V N 3.839 123.745 119.914 -0.013 0.000 2.304 335 V HA 0.141 4.261 4.120 -0.000 0.000 0.269 335 V C 0.644 176.678 176.094 -0.101 0.000 1.036 335 V CA -0.456 61.862 62.300 0.030 0.000 0.840 335 V CB -0.625 31.166 31.823 -0.052 0.000 1.036 335 V HN 0.558 nan 8.190 nan 0.000 0.466 336 H N 4.052 123.169 119.070 0.078 0.000 2.679 336 H HA 0.383 4.939 4.556 -0.000 0.000 0.369 336 H C 0.180 175.530 175.328 0.036 0.000 1.178 336 H CA 0.030 56.101 56.048 0.039 0.000 1.419 336 H CB 1.320 31.092 29.762 0.017 0.000 1.458 336 H HN 0.811 nan 8.280 nan 0.000 0.605 337 E N 1.222 121.500 120.200 0.130 0.000 2.314 337 E HA 0.532 4.882 4.350 -0.000 0.000 0.272 337 E C -1.547 175.071 176.600 0.030 0.000 0.884 337 E CA -0.842 55.586 56.400 0.045 0.000 0.753 337 E CB 1.745 31.434 29.700 -0.017 0.000 1.213 337 E HN 0.354 nan 8.360 nan 0.000 0.432 338 L N 2.763 123.970 121.223 -0.026 0.000 2.376 338 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 338 L C -0.231 176.560 176.870 -0.132 0.000 0.987 338 L CA -1.121 53.689 54.840 -0.050 0.000 0.828 338 L CB 1.760 43.827 42.059 0.013 0.000 1.249 338 L HN 0.645 nan 8.230 nan 0.000 0.409 339 N N 3.805 122.458 118.700 -0.078 0.000 2.475 339 N HA 0.123 4.863 4.740 -0.000 0.000 0.267 339 N C 0.727 176.209 175.510 -0.047 0.000 1.169 339 N CA -0.052 52.956 53.050 -0.071 0.000 0.947 339 N CB 1.343 39.817 38.487 -0.022 0.000 1.061 339 N HN 0.669 nan 8.380 nan 0.000 0.466 340 L N 3.053 124.250 121.223 -0.044 0.000 2.217 340 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 340 L C 2.063 178.962 176.870 0.049 0.000 1.107 340 L CA 0.453 55.306 54.840 0.022 0.000 0.783 340 L CB -0.263 41.827 42.059 0.052 0.000 0.919 340 L HN 0.507 nan 8.230 nan 0.000 0.442 341 L N -0.127 121.136 121.223 0.066 0.000 2.023 341 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 341 L C 2.423 179.296 176.870 0.004 0.000 1.073 341 L CA 2.032 56.907 54.840 0.058 0.000 0.745 341 L CB -0.916 41.196 42.059 0.088 0.000 0.900 341 L HN 0.080 nan 8.230 nan 0.000 0.435 342 T N -0.926 113.630 114.554 0.003 0.000 2.802 342 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 342 T C 1.628 176.290 174.700 -0.064 0.000 1.062 342 T CA 1.933 64.018 62.100 -0.024 0.000 1.133 342 T CB -0.548 68.313 68.868 -0.012 0.000 0.852 342 T HN 0.463 nan 8.240 nan 0.000 0.485 343 T N 1.191 115.697 114.554 -0.080 0.000 3.009 343 T HA 0.258 4.608 4.350 -0.000 0.000 0.258 343 T C 2.452 177.003 174.700 -0.248 0.000 1.063 343 T CA 0.661 62.674 62.100 -0.144 0.000 1.139 343 T CB -0.310 68.496 68.868 -0.103 0.000 0.890 343 T HN 0.422 nan 8.240 nan 0.000 0.471 344 A N 1.679 124.372 122.820 -0.211 0.000 1.902 344 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 344 A C 2.255 179.701 177.584 -0.229 0.000 1.181 344 A CA 1.460 53.358 52.037 -0.232 0.000 0.623 344 A CB -0.585 18.353 19.000 -0.103 0.000 0.818 344 A HN 0.503 nan 8.150 nan 0.000 0.443 345 Q N -0.860 118.850 119.800 -0.150 0.000 2.079 345 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 345 Q C 2.046 177.954 176.000 -0.153 0.000 0.974 345 Q CA 1.280 57.009 55.803 -0.123 0.000 0.840 345 Q CB -0.116 28.580 28.738 -0.071 0.000 0.898 345 Q HN 0.592 nan 8.270 nan 0.000 0.430 346 E N 0.250 120.353 120.200 -0.161 0.000 2.047 346 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 346 E C 2.146 178.595 176.600 -0.251 0.000 0.987 346 E CA 0.721 57.020 56.400 -0.168 0.000 0.799 346 E CB -0.525 29.090 29.700 -0.141 0.000 0.752 346 E HN 0.347 nan 8.360 nan 0.000 0.449 347 C N 0.860 119.944 119.300 -0.360 0.000 2.398 347 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 347 C C 2.781 177.265 174.990 -0.844 0.000 1.222 347 C CA 0.783 59.447 59.018 -0.590 0.000 1.746 347 C CB -1.162 26.169 27.740 -0.682 0.000 2.039 347 C HN 0.346 nan 8.230 nan 0.000 0.470 348 I N 0.289 120.476 120.570 -0.639 0.000 2.179 348 I HA -0.184 3.985 4.170 -0.000 0.000 0.242 348 I C 2.830 178.860 176.117 -0.144 0.000 1.088 348 I CA 1.954 63.016 61.300 -0.395 0.000 1.357 348 I CB -0.686 37.195 38.000 -0.198 0.000 1.051 348 I HN 0.369 nan 8.210 nan 0.000 0.409 349 R N 0.747 121.165 120.500 -0.137 0.000 2.096 349 R HA -0.228 4.111 4.340 -0.000 0.000 0.240 349 R C 2.380 178.662 176.300 -0.031 0.000 1.139 349 R CA 1.564 57.626 56.100 -0.062 0.000 0.952 349 R CB -0.132 30.127 30.300 -0.068 0.000 0.854 349 R HN 0.346 nan 8.270 nan 0.000 0.436 350 Q N -0.465 119.289 119.800 -0.077 0.000 2.152 350 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 350 Q C 1.850 177.948 176.000 0.163 0.000 0.985 350 Q CA 1.465 57.268 55.803 -0.001 0.000 0.863 350 Q CB -0.277 28.431 28.738 -0.049 0.000 0.904 350 Q HN 0.513 nan 8.270 nan 0.000 0.422 351 W N 0.133 121.426 121.300 -0.011 0.000 2.409 351 W HA -0.038 4.622 4.660 -0.000 0.000 0.299 351 W C 2.330 178.838 176.519 -0.019 0.000 1.203 351 W CA 0.032 57.370 57.345 -0.011 0.000 1.298 351 W CB -1.134 28.327 29.460 0.001 0.000 1.127 351 W HN -0.093 nan 8.180 nan 0.000 0.528 352 V N 0.891 120.930 119.914 0.209 0.000 2.282 352 V HA -0.371 3.749 4.120 -0.000 0.000 0.249 352 V C 2.285 178.419 176.094 0.067 0.000 1.057 352 V CA 2.238 64.600 62.300 0.104 0.000 1.032 352 V CB -0.948 30.915 31.823 0.066 0.000 0.645 352 V HN 0.102 nan 8.190 nan 0.000 0.447 353 M N -0.379 119.257 119.600 0.060 0.000 2.229 353 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 353 M C 1.929 178.248 176.300 0.031 0.000 1.063 353 M CA 1.785 57.106 55.300 0.035 0.000 1.114 353 M CB -0.334 32.280 32.600 0.023 0.000 1.387 353 M HN 0.385 nan 8.290 nan 0.000 0.420 354 A N -0.325 122.525 122.820 0.050 0.000 2.278 354 A HA 0.393 4.713 4.320 -0.000 0.000 0.212 354 A C 1.448 179.031 177.584 -0.002 0.000 1.213 354 A CA 0.532 52.581 52.037 0.021 0.000 0.840 354 A CB -0.875 18.144 19.000 0.032 0.000 0.866 354 A HN 0.611 nan 8.150 nan 0.000 0.489 355 G N -0.674 108.133 108.800 0.011 0.000 2.283 355 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 355 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 355 G C 0.596 175.480 174.900 -0.028 0.000 1.029 355 G CA 0.700 45.797 45.100 -0.006 0.000 0.840 355 G HN 0.489 nan 8.290 nan 0.000 0.505 356 L N -1.133 120.075 121.223 -0.024 0.000 2.416 356 L HA 0.337 4.677 4.340 -0.000 0.000 0.216 356 L C 1.347 178.170 176.870 -0.078 0.000 1.098 356 L CA 0.993 55.773 54.840 -0.099 0.000 0.840 356 L CB 0.332 42.271 42.059 -0.200 0.000 0.981 356 L HN 0.485 nan 8.230 nan 0.000 0.462 357 V N -4.770 115.148 119.914 0.007 0.000 3.007 357 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 357 V C 0.095 176.210 176.094 0.034 0.000 1.120 357 V CA -0.938 61.378 62.300 0.026 0.000 0.980 357 V CB 1.542 33.420 31.823 0.092 0.000 1.033 357 V HN 0.105 nan 8.190 nan 0.000 0.429 358 S N 2.304 118.017 115.700 0.022 0.000 2.606 358 S HA 0.547 5.017 4.470 -0.000 0.000 0.257 358 S C 1.456 176.074 174.600 0.030 0.000 1.327 358 S CA 0.189 58.400 58.200 0.018 0.000 0.984 358 S CB 1.011 64.216 63.200 0.009 0.000 0.941 358 S HN 2.067 nan 8.310 nan 0.000 0.576 359 A N 1.123 123.956 122.820 0.022 0.000 1.933 359 A HA 0.188 4.508 4.320 -0.000 0.000 0.218 359 A C 2.402 179.999 177.584 0.022 0.000 1.175 359 A CA 1.708 53.758 52.037 0.022 0.000 0.628 359 A CB -1.689 17.319 19.000 0.014 0.000 0.814 359 A HN 1.303 nan 8.150 nan 0.000 0.444 360 A N 0.043 122.873 122.820 0.017 0.000 1.873 360 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 360 A C 2.107 179.704 177.584 0.022 0.000 1.186 360 A CA 2.090 54.136 52.037 0.016 0.000 0.616 360 A CB -0.451 18.556 19.000 0.011 0.000 0.823 360 A HN 0.539 nan 8.150 nan 0.000 0.442 361 K N -0.358 120.058 120.400 0.027 0.000 2.147 361 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 361 K C 1.927 178.561 176.600 0.057 0.000 1.049 361 K CA 1.442 57.751 56.287 0.038 0.000 0.936 361 K CB -0.616 31.905 32.500 0.035 0.000 0.722 361 K HN 0.334 nan 8.250 nan 0.000 0.446 362 G N 0.645 109.482 108.800 0.062 0.000 2.476 362 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 362 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 362 G C 1.413 176.337 174.900 0.039 0.000 1.164 362 G CA 0.891 46.030 45.100 0.065 0.000 0.768 362 G HN 0.410 nan 8.290 nan 0.000 0.560 363 Q N -0.107 119.709 119.800 0.028 0.000 2.020 363 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 363 Q C 3.099 179.112 176.000 0.021 0.000 0.982 363 Q CA 1.192 57.006 55.803 0.018 0.000 0.838 363 Q CB -0.306 28.440 28.738 0.013 0.000 0.899 363 Q HN 0.455 nan 8.270 nan 0.000 0.423 364 A N 0.867 123.702 122.820 0.025 0.000 1.927 364 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 364 A C 2.032 179.634 177.584 0.031 0.000 1.185 364 A CA 1.461 53.514 52.037 0.026 0.000 0.639 364 A CB -0.870 18.145 19.000 0.026 0.000 0.820 364 A HN 0.362 nan 8.150 nan 0.000 0.451 365 L N -1.124 120.124 121.223 0.042 0.000 2.056 365 L HA -0.150 4.189 4.340 -0.000 0.000 0.207 365 L C 2.851 179.737 176.870 0.026 0.000 1.078 365 L CA 1.801 56.669 54.840 0.047 0.000 0.749 365 L CB -0.826 41.283 42.059 0.084 0.000 0.901 365 L HN 0.391 nan 8.230 nan 0.000 0.433 366 T N -1.250 113.313 114.554 0.015 0.000 2.746 366 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 366 T C 1.806 176.515 174.700 0.015 0.000 1.039 366 T CA 1.361 63.463 62.100 0.003 0.000 1.142 366 T CB -0.176 68.689 68.868 -0.005 0.000 0.866 366 T HN 0.337 nan 8.240 nan 0.000 0.444 367 Q N 0.747 120.558 119.800 0.019 0.000 2.084 367 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 367 Q C 2.090 178.112 176.000 0.037 0.000 0.978 367 Q CA 1.518 57.334 55.803 0.022 0.000 0.844 367 Q CB -0.069 28.680 28.738 0.019 0.000 0.898 367 Q HN 0.623 nan 8.270 nan 0.000 0.426 368 E N 0.132 120.356 120.200 0.040 0.000 2.110 368 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 368 E C 1.832 178.488 176.600 0.093 0.000 0.988 368 E CA 1.099 57.532 56.400 0.056 0.000 0.804 368 E CB -0.124 29.596 29.700 0.034 0.000 0.745 368 E HN 0.454 nan 8.360 nan 0.000 0.458 369 A N 1.677 124.544 122.820 0.078 0.000 1.854 369 A HA -0.178 4.141 4.320 -0.000 0.000 0.214 369 A C 1.880 179.534 177.584 0.116 0.000 1.192 369 A CA 1.357 53.460 52.037 0.111 0.000 0.611 369 A CB -0.418 18.614 19.000 0.053 0.000 0.832 369 A HN 0.117 nan 8.150 nan 0.000 0.442 370 N N 0.810 119.545 118.700 0.058 0.000 2.149 370 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 370 N C 1.113 176.637 175.510 0.024 0.000 1.019 370 N CA 1.595 54.662 53.050 0.028 0.000 0.857 370 N CB -0.497 37.994 38.487 0.007 0.000 0.997 370 N HN 0.450 nan 8.380 nan 0.000 0.426 371 D N 0.209 120.640 120.400 0.052 0.000 2.097 371 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 371 D C 1.742 178.091 176.300 0.082 0.000 0.984 371 D CA 0.479 54.510 54.000 0.051 0.000 0.826 371 D CB -0.508 40.329 40.800 0.062 0.000 0.973 371 D HN 0.162 nan 8.370 nan 0.000 0.460 372 F N 1.517 121.466 119.950 -0.001 0.000 2.095 372 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 372 F C 2.582 178.383 175.800 0.001 0.000 1.104 372 F CA 1.487 59.494 58.000 0.012 0.000 1.232 372 F CB -0.567 38.453 39.000 0.033 0.000 0.987 372 F HN -0.155 nan 8.300 nan 0.000 0.475 373 S N 0.337 115.991 115.700 -0.077 0.000 2.374 373 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 373 S C 1.951 176.373 174.600 -0.296 0.000 1.037 373 S CA 1.785 59.874 58.200 -0.184 0.000 1.024 373 S CB -0.544 62.634 63.200 -0.037 0.000 0.861 373 S HN 0.509 nan 8.310 nan 0.000 0.456 374 N N 1.245 119.817 118.700 -0.214 0.000 2.166 374 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 374 N C 1.706 177.070 175.510 -0.243 0.000 1.019 374 N CA 0.996 53.909 53.050 -0.230 0.000 0.856 374 N CB -0.624 37.780 38.487 -0.138 0.000 0.993 374 N HN 0.420 nan 8.380 nan 0.000 0.426 375 L N 0.347 121.433 121.223 -0.228 0.000 2.027 375 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 375 L C 1.861 178.580 176.870 -0.251 0.000 1.074 375 L CA 0.923 55.642 54.840 -0.202 0.000 0.745 375 L CB -0.143 41.822 42.059 -0.157 0.000 0.898 375 L HN 0.030 nan 8.230 nan 0.000 0.433 376 I N -0.108 120.214 120.570 -0.414 0.000 2.179 376 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 376 I C 2.513 178.493 176.117 -0.228 0.000 1.088 376 I CA 1.533 62.634 61.300 -0.332 0.000 1.357 376 I CB -1.276 36.432 38.000 -0.486 0.000 1.051 376 I HN 0.523 nan 8.210 nan 0.000 0.409 377 Q N 0.839 120.389 119.800 -0.417 0.000 2.112 377 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 377 Q C 2.200 178.014 176.000 -0.310 0.000 0.987 377 Q CA 2.593 57.987 55.803 -0.681 0.000 0.858 377 Q CB -0.031 27.971 28.738 -1.226 0.000 0.905 377 Q HN 0.500 nan 8.270 nan 0.000 0.420 378 A N 0.206 122.890 122.820 -0.228 0.000 1.970 378 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 378 A C 1.839 179.405 177.584 -0.031 0.000 1.170 378 A CA 1.312 53.279 52.037 -0.117 0.000 0.645 378 A CB -0.427 18.506 19.000 -0.111 0.000 0.816 378 A HN 0.506 nan 8.150 nan 0.000 0.447 379 D N 0.037 120.424 120.400 -0.021 0.000 2.084 379 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 379 D C 1.972 178.337 176.300 0.108 0.000 0.985 379 D CA 1.117 55.150 54.000 0.055 0.000 0.826 379 D CB -0.022 40.827 40.800 0.081 0.000 0.978 379 D HN 0.404 nan 8.370 nan 0.000 0.456 380 L N 0.562 121.833 121.223 0.080 0.000 2.083 380 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 380 L C 2.652 179.713 176.870 0.319 0.000 1.083 380 L CA 1.243 56.159 54.840 0.127 0.000 0.752 380 L CB -0.590 41.467 42.059 -0.003 0.000 0.899 380 L HN 0.094 nan 8.230 nan 0.000 0.433 381 G N -0.997 107.962 108.800 0.266 0.000 2.422 381 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 381 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 381 G C 1.511 176.478 174.900 0.112 0.000 1.146 381 G CA 0.509 45.741 45.100 0.221 0.000 0.769 381 G HN 0.246 nan 8.290 nan 0.000 0.547 382 Q N 0.252 120.106 119.800 0.089 0.000 2.084 382 Q HA 0.046 4.386 4.340 -0.000 0.000 0.202 382 Q C 2.508 178.555 176.000 0.077 0.000 0.978 382 Q CA 1.082 56.923 55.803 0.063 0.000 0.844 382 Q CB -0.326 28.447 28.738 0.059 0.000 0.898 382 Q HN 0.595 nan 8.270 nan 0.000 0.426 383 I N 0.085 120.728 120.570 0.120 0.000 2.202 383 I HA -0.275 3.894 4.170 -0.000 0.000 0.242 383 I C 2.325 178.499 176.117 0.095 0.000 1.091 383 I CA 1.379 62.758 61.300 0.132 0.000 1.368 383 I CB -0.339 37.768 38.000 0.178 0.000 1.058 383 I HN 0.184 nan 8.210 nan 0.000 0.410 384 K N 1.519 121.962 120.400 0.071 0.000 2.057 384 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 384 K C 2.169 178.717 176.600 -0.088 0.000 1.049 384 K CA 1.569 57.791 56.287 -0.109 0.000 0.931 384 K CB -0.131 32.107 32.500 -0.437 0.000 0.714 384 K HN 0.287 nan 8.250 nan 0.000 0.440 385 A N 1.052 123.848 122.820 -0.041 0.000 1.873 385 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 385 A C 2.080 179.644 177.584 -0.034 0.000 1.186 385 A CA 1.531 53.545 52.037 -0.039 0.000 0.616 385 A CB -0.593 18.395 19.000 -0.020 0.000 0.823 385 A HN 0.491 nan 8.150 nan 0.000 0.442 386 Q N -0.417 119.374 119.800 -0.014 0.000 1.993 386 Q HA -0.208 4.131 4.340 -0.000 0.000 0.202 386 Q C 1.765 177.727 176.000 -0.064 0.000 0.984 386 Q CA 1.617 57.400 55.803 -0.033 0.000 0.837 386 Q CB -0.334 28.409 28.738 0.008 0.000 0.902 386 Q HN 0.577 nan 8.270 nan 0.000 0.423 387 D N 0.682 121.105 120.400 0.038 0.000 2.116 387 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 387 D C 1.484 177.828 176.300 0.072 0.000 0.998 387 D CA 1.384 55.471 54.000 0.143 0.000 0.836 387 D CB -0.341 40.574 40.800 0.192 0.000 0.951 387 D HN 0.176 nan 8.370 nan 0.000 0.449 388 D N -0.125 120.285 120.400 0.017 0.000 2.092 388 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 388 D C 1.987 178.307 176.300 0.034 0.000 0.994 388 D CA 1.623 55.642 54.000 0.031 0.000 0.828 388 D CB -0.447 40.334 40.800 -0.033 0.000 0.963 388 D HN 0.186 nan 8.370 nan 0.000 0.450 389 A N 0.292 123.089 122.820 -0.039 0.000 1.873 389 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 389 A C 2.375 179.877 177.584 -0.136 0.000 1.186 389 A CA 0.977 52.971 52.037 -0.071 0.000 0.616 389 A CB -0.819 18.132 19.000 -0.081 0.000 0.823 389 A HN 0.215 nan 8.150 nan 0.000 0.442 390 L N -2.085 118.970 121.223 -0.281 0.000 2.093 390 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 390 L C 2.570 179.239 176.870 -0.334 0.000 1.085 390 L CA 1.718 56.235 54.840 -0.539 0.000 0.755 390 L CB -0.627 40.655 42.059 -1.295 0.000 0.904 390 L HN 0.631 nan 8.230 nan 0.000 0.435 391 Y N 0.661 120.852 120.300 -0.181 0.000 2.200 391 Y HA -0.274 4.276 4.550 -0.000 0.000 0.290 391 Y C 2.607 178.527 175.900 0.033 0.000 1.137 391 Y CA 1.839 59.991 58.100 0.087 0.000 1.163 391 Y CB -0.216 38.338 38.460 0.157 0.000 0.988 391 Y HN 0.197 nan 8.280 nan 0.000 0.518 392 N N -0.094 118.543 118.700 -0.104 0.000 2.244 392 N HA -0.187 4.553 4.740 -0.000 0.000 0.183 392 N C 1.445 176.853 175.510 -0.170 0.000 1.016 392 N CA 1.739 54.692 53.050 -0.163 0.000 0.866 392 N CB -0.016 38.461 38.487 -0.016 0.000 0.980 392 N HN 0.622 nan 8.380 nan 0.000 0.430 393 Q N -0.674 119.043 119.800 -0.139 0.000 2.442 393 Q HA 0.127 4.467 4.340 -0.000 0.000 0.228 393 Q C 0.302 176.242 176.000 -0.100 0.000 0.902 393 Q CA 0.069 55.807 55.803 -0.109 0.000 0.933 393 Q CB 0.714 29.398 28.738 -0.091 0.000 1.071 393 Q HN 0.263 nan 8.270 nan 0.000 0.562 394 Q N 2.009 121.746 119.800 -0.104 0.000 2.340 394 Q HA 0.272 4.612 4.340 -0.000 0.000 0.259 394 Q C -2.506 173.488 176.000 -0.010 0.000 0.964 394 Q CA -2.242 53.534 55.803 -0.046 0.000 0.900 394 Q CB 1.244 29.965 28.738 -0.028 0.000 1.228 394 Q HN -0.084 nan 8.270 nan 0.000 0.449 395 P HA 0.045 nan 4.420 nan 0.000 0.264 395 P C 0.168 177.493 177.300 0.042 0.000 1.193 395 P CA 0.804 63.899 63.100 -0.007 0.000 0.763 395 P CB 0.644 32.336 31.700 -0.013 0.000 0.810 396 G N 1.622 110.454 108.800 0.055 0.000 2.143 396 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 396 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 396 G C -0.177 174.764 174.900 0.068 0.000 0.991 396 G CA -0.331 44.807 45.100 0.065 0.000 0.689 396 G HN 0.566 nan 8.290 nan 0.000 0.522 397 Y N 1.285 121.594 120.300 0.016 0.000 2.377 397 Y HA 0.525 5.074 4.550 -0.000 0.000 0.330 397 Y C 0.477 176.412 175.900 0.058 0.000 1.108 397 Y CA -0.371 57.752 58.100 0.039 0.000 1.308 397 Y CB 0.841 39.339 38.460 0.063 0.000 1.216 397 Y HN 0.616 nan 8.280 nan 0.000 0.518 398 A N 7.900 130.239 122.820 -0.802 0.000 2.252 398 A HA 0.481 4.800 4.320 -0.000 0.000 0.309 398 A C -0.192 176.996 177.584 -0.661 0.000 1.285 398 A CA -0.852 50.843 52.037 -0.572 0.000 0.900 398 A CB 0.186 18.943 19.000 -0.405 0.000 1.157 398 A HN 0.910 nan 8.150 nan 0.000 0.536 399 R N 1.605 121.984 120.500 -0.201 0.000 2.537 399 R HA 0.161 4.501 4.340 -0.000 0.000 0.280 399 R C 0.717 177.047 176.300 0.050 0.000 1.058 399 R CA -0.039 56.078 56.100 0.028 0.000 1.057 399 R CB 0.839 31.241 30.300 0.170 0.000 0.973 399 R HN 0.799 nan 8.270 nan 0.000 0.438 400 R N 1.732 122.279 120.500 0.078 0.000 2.140 400 R HA 0.127 4.467 4.340 -0.000 0.000 0.213 400 R C 0.822 177.194 176.300 0.120 0.000 1.059 400 R CA 0.860 57.011 56.100 0.086 0.000 1.000 400 R CB 0.112 30.473 30.300 0.100 0.000 0.910 400 R HN 0.557 nan 8.270 nan 0.000 0.455 401 I N -2.759 117.852 120.570 0.069 0.000 3.042 401 I HA 0.381 4.551 4.170 -0.000 0.000 0.310 401 I C -0.764 175.127 176.117 -0.377 0.000 1.117 401 I CA -1.422 59.844 61.300 -0.057 0.000 1.003 401 I CB 1.839 39.780 38.000 -0.099 0.000 1.228 401 I HN -0.276 nan 8.210 nan 0.000 0.443 402 K N 2.575 122.584 120.400 -0.651 0.000 2.448 402 K HA 0.272 4.592 4.320 -0.000 0.000 0.278 402 K C -2.305 174.074 176.600 -0.367 0.000 1.009 402 K CA -0.993 54.663 56.287 -1.051 0.000 0.995 402 K CB 0.317 32.596 32.500 -0.368 0.000 0.917 402 K HN 0.380 nan 8.250 nan 0.000 0.481 403 P HA 0.000 nan 4.420 nan 0.000 0.266 403 P C -1.009 176.307 177.300 0.026 0.000 1.195 403 P CA 0.183 63.199 63.100 -0.140 0.000 0.768 403 P CB 0.223 31.837 31.700 -0.142 0.000 0.838 404 F N 1.245 121.127 119.950 -0.112 0.000 2.706 404 F HA 0.795 5.321 4.527 -0.000 0.000 0.328 404 F C -1.007 174.749 175.800 -0.072 0.000 1.123 404 F CA -1.553 56.387 58.000 -0.101 0.000 0.978 404 F CB 0.617 39.529 39.000 -0.146 0.000 1.404 404 F HN 0.199 nan 8.300 nan 0.000 0.497 405 V N -0.883 119.082 119.914 0.084 0.000 2.914 405 V HA 0.466 4.586 4.120 -0.000 0.000 0.314 405 V C 0.018 176.202 176.094 0.151 0.000 1.084 405 V CA -0.859 61.446 62.300 0.009 0.000 0.963 405 V CB 1.558 33.385 31.823 0.006 0.000 1.025 405 V HN 0.914 nan 8.190 nan 0.000 0.432 406 N N 2.674 121.465 118.700 0.151 0.000 2.309 406 N HA -0.077 4.663 4.740 -0.000 0.000 0.182 406 N C 1.760 177.436 175.510 0.276 0.000 1.018 406 N CA 1.450 54.700 53.050 0.332 0.000 0.876 406 N CB -0.011 38.639 38.487 0.272 0.000 0.972 406 N HN 1.001 nan 8.380 nan 0.000 0.434 407 G N 1.437 110.319 108.800 0.137 0.000 2.501 407 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.220 407 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.220 407 G C 1.010 175.939 174.900 0.048 0.000 1.114 407 G CA 0.562 45.717 45.100 0.092 0.000 0.757 407 G HN 0.205 nan 8.290 nan 0.000 0.559 408 D N -0.319 120.065 120.400 -0.026 0.000 2.351 408 D HA -0.058 4.582 4.640 -0.000 0.000 0.216 408 D C 1.562 177.697 176.300 -0.275 0.000 0.968 408 D CA 0.408 54.297 54.000 -0.186 0.000 0.899 408 D CB -0.185 40.438 40.800 -0.294 0.000 0.907 408 D HN 0.679 nan 8.370 nan 0.000 0.514 409 W N 0.989 122.295 121.300 0.010 0.000 2.863 409 W HA 0.024 4.683 4.660 -0.000 0.000 0.258 409 W C 1.170 177.677 176.519 -0.019 0.000 1.298 409 W CA 0.086 57.420 57.345 -0.018 0.000 1.451 409 W CB -0.177 29.276 29.460 -0.011 0.000 1.107 409 W HN -0.178 nan 8.180 nan 0.000 0.641 410 T N -2.063 112.595 114.554 0.172 0.000 2.860 410 T HA 0.090 4.440 4.350 -0.000 0.000 0.299 410 T C -1.585 173.148 174.700 0.056 0.000 1.045 410 T CA -1.296 60.865 62.100 0.101 0.000 1.071 410 T CB 1.388 70.298 68.868 0.069 0.000 0.985 410 T HN -0.256 nan 8.240 nan 0.000 0.537 411 P HA 0.046 nan 4.420 nan 0.000 0.218 411 P C 1.397 178.699 177.300 0.004 0.000 1.148 411 P CA 1.769 64.880 63.100 0.018 0.000 0.822 411 P CB -0.605 31.104 31.700 0.014 0.000 0.784 412 G N -0.395 108.409 108.800 0.007 0.000 2.622 412 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.307 412 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.307 412 G C 0.485 175.388 174.900 0.006 0.000 1.226 412 G CA 0.718 45.819 45.100 0.001 0.000 0.997 412 G HN 0.290 nan 8.290 nan 0.000 0.551 413 M N 1.700 121.304 119.600 0.007 0.000 2.738 413 M HA 0.336 4.816 4.480 -0.000 0.000 0.295 413 M C 1.975 178.292 176.300 0.029 0.000 1.266 413 M CA 1.042 56.355 55.300 0.023 0.000 0.985 413 M CB 0.177 32.797 32.600 0.033 0.000 1.365 413 M HN 0.512 nan 8.290 nan 0.000 0.492 414 T N -0.184 114.376 114.554 0.011 0.000 2.665 414 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 414 T C 1.921 176.620 174.700 -0.001 0.000 1.035 414 T CA 1.839 63.941 62.100 0.003 0.000 1.151 414 T CB -0.162 68.700 68.868 -0.010 0.000 0.862 414 T HN 0.607 nan 8.240 nan 0.000 0.438 415 A N 1.134 123.954 122.820 -0.001 0.000 1.908 415 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 415 A C 2.306 179.887 177.584 -0.005 0.000 1.181 415 A CA 1.795 53.826 52.037 -0.009 0.000 0.627 415 A CB -0.710 18.287 19.000 -0.004 0.000 0.818 415 A HN 0.457 nan 8.150 nan 0.000 0.445 416 Q N -0.304 119.508 119.800 0.020 0.000 2.050 416 Q HA -0.011 4.329 4.340 -0.000 0.000 0.202 416 Q C 2.372 178.378 176.000 0.011 0.000 0.980 416 Q CA 1.914 57.741 55.803 0.040 0.000 0.840 416 Q CB -0.577 28.218 28.738 0.094 0.000 0.898 416 Q HN 0.658 nan 8.270 nan 0.000 0.424 417 A N 0.327 123.162 122.820 0.024 0.000 1.902 417 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 417 A C 2.057 179.554 177.584 -0.145 0.000 1.181 417 A CA 1.285 53.276 52.037 -0.076 0.000 0.623 417 A CB -0.773 18.239 19.000 0.019 0.000 0.818 417 A HN 0.347 nan 8.150 nan 0.000 0.443 418 L N -0.847 120.323 121.223 -0.089 0.000 2.083 418 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 418 L C 3.079 179.883 176.870 -0.110 0.000 1.083 418 L CA 0.958 55.735 54.840 -0.106 0.000 0.752 418 L CB -0.589 41.424 42.059 -0.077 0.000 0.899 418 L HN 0.445 nan 8.230 nan 0.000 0.433 419 A N -0.071 122.701 122.820 -0.079 0.000 1.858 419 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 419 A C 2.356 179.899 177.584 -0.068 0.000 1.190 419 A CA 1.809 53.812 52.037 -0.057 0.000 0.617 419 A CB -0.901 18.084 19.000 -0.026 0.000 0.827 419 A HN 0.147 nan 8.150 nan 0.000 0.443 420 V N 0.264 120.112 119.914 -0.109 0.000 2.252 420 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 420 V C 2.585 178.605 176.094 -0.124 0.000 1.056 420 V CA 2.189 64.424 62.300 -0.109 0.000 1.022 420 V CB -0.886 30.756 31.823 -0.301 0.000 0.641 420 V HN 0.579 nan 8.190 nan 0.000 0.445 421 L N -0.033 120.973 121.223 -0.362 0.000 2.127 421 L HA -0.199 4.140 4.340 -0.000 0.000 0.211 421 L C 2.629 179.346 176.870 -0.254 0.000 1.089 421 L CA 1.450 55.943 54.840 -0.580 0.000 0.757 421 L CB -0.715 41.047 42.059 -0.494 0.000 0.899 421 L HN 0.407 nan 8.230 nan 0.000 0.434 422 A N -0.257 122.484 122.820 -0.132 0.000 2.019 422 A HA -0.186 4.133 4.320 -0.000 0.000 0.219 422 A C 2.277 179.846 177.584 -0.025 0.000 1.164 422 A CA 1.913 53.909 52.037 -0.068 0.000 0.644 422 A CB -0.752 18.214 19.000 -0.056 0.000 0.805 422 A HN 0.524 nan 8.150 nan 0.000 0.449 423 T N -4.535 110.030 114.554 0.017 0.000 3.148 423 T HA 0.105 4.454 4.350 -0.000 0.000 0.253 423 T C 1.023 175.580 174.700 -0.239 0.000 1.134 423 T CA 0.330 62.419 62.100 -0.019 0.000 1.051 423 T CB -0.524 68.368 68.868 0.040 0.000 0.959 423 T HN 0.175 nan 8.240 nan 0.000 0.525 424 F N 2.929 122.592 119.950 -0.479 0.000 2.780 424 F HA 0.191 4.718 4.527 -0.000 0.000 0.299 424 F C 2.276 177.813 175.800 -0.438 0.000 1.146 424 F CA 0.379 57.972 58.000 -0.679 0.000 1.428 424 F CB -0.266 38.559 39.000 -0.292 0.000 1.115 424 F HN 0.383 nan 8.300 nan 0.000 0.583 425 T N -2.800 111.683 114.554 -0.117 0.000 3.145 425 T HA 0.655 5.004 4.350 -0.000 0.000 0.255 425 T C 0.582 175.271 174.700 -0.018 0.000 1.039 425 T CA 0.137 62.214 62.100 -0.039 0.000 0.928 425 T CB -0.284 68.576 68.868 -0.012 0.000 1.029 425 T HN 0.044 nan 8.240 nan 0.000 0.554 426 A N 0.000 122.797 122.820 -0.038 0.000 2.254 426 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 426 A CA 0.000 52.065 52.037 0.047 0.000 0.836 426 A CB 0.000 19.017 19.000 0.028 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486