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 2vi9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA AAAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.228 176.300 -0.121 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.668 32.600 0.113 0.000 1.302 2 K N 0.302 120.597 120.400 -0.176 0.000 2.494 2 K HA 0.238 4.575 4.320 0.029 0.000 0.201 2 K C 0.664 176.996 176.600 -0.448 0.000 1.338 2 K CA 0.504 56.566 56.287 -0.374 0.000 0.935 2 K CB 0.488 32.669 32.500 -0.531 0.000 1.514 2 K HN 0.660 nan 8.250 nan 0.000 0.490 3 Y N 0.794 121.023 120.300 -0.118 0.000 2.448 3 Y HA 0.025 4.580 4.550 0.008 0.000 0.289 3 Y C 1.896 177.723 175.900 -0.122 0.000 1.114 3 Y CA 0.182 58.219 58.100 -0.105 0.000 1.235 3 Y CB 0.073 38.492 38.460 -0.068 0.000 1.045 3 Y HN 0.069 nan 8.280 nan 0.000 0.554 4 L N 1.397 122.622 121.223 0.004 0.000 2.046 4 L HA -0.030 4.327 4.340 0.029 0.000 0.208 4 L C -0.909 175.856 176.870 -0.175 0.000 1.077 4 L CA 1.791 56.616 54.840 -0.025 0.000 0.747 4 L CB -1.548 40.552 42.059 0.068 0.000 0.896 4 L HN -0.024 nan 8.230 nan 0.000 0.432 5 P HA -0.208 nan 4.420 nan 0.000 0.216 5 P C 1.408 178.531 177.300 -0.294 0.000 1.150 5 P CA 1.344 63.977 63.100 -0.779 0.000 0.837 5 P CB 0.075 31.106 31.700 -1.116 0.000 0.786 6 Q N -0.405 119.271 119.800 -0.208 0.000 2.096 6 Q HA -0.164 4.193 4.340 0.029 0.000 0.197 6 Q C 2.310 178.286 176.000 -0.041 0.000 0.964 6 Q CA 1.520 57.262 55.803 -0.101 0.000 0.838 6 Q CB -0.861 27.827 28.738 -0.083 0.000 0.906 6 Q HN 0.010 nan 8.270 nan 0.000 0.444 7 Q N 0.237 120.025 119.800 -0.020 0.000 2.083 7 Q HA -0.035 4.322 4.340 0.029 0.000 0.198 7 Q C -0.367 175.640 176.000 0.012 0.000 0.969 7 Q CA 1.557 57.364 55.803 0.007 0.000 0.838 7 Q CB 0.281 29.034 28.738 0.024 0.000 0.900 7 Q HN 0.224 nan 8.270 nan 0.000 0.436 8 D N -1.156 119.258 120.400 0.022 0.000 2.405 8 D HA 0.214 4.871 4.640 0.029 0.000 0.264 8 D C -2.223 174.131 176.300 0.089 0.000 1.240 8 D CA -1.788 52.241 54.000 0.049 0.000 0.893 8 D CB 1.396 42.229 40.800 0.055 0.000 1.198 8 D HN -0.033 nan 8.370 nan 0.000 0.514 9 P HA -0.170 nan 4.420 nan 0.000 0.216 9 P C 1.431 178.809 177.300 0.131 0.000 1.153 9 P CA 1.309 64.479 63.100 0.118 0.000 0.858 9 P CB 0.547 32.288 31.700 0.069 0.000 0.789 10 Q N -0.811 119.037 119.800 0.080 0.000 2.030 10 Q HA -0.121 4.236 4.340 0.029 0.000 0.204 10 Q C 2.143 178.178 176.000 0.059 0.000 0.986 10 Q CA 1.474 57.311 55.803 0.057 0.000 0.843 10 Q CB -0.851 27.908 28.738 0.036 0.000 0.904 10 Q HN 0.101 nan 8.270 nan 0.000 0.420 11 V N 0.464 120.423 119.914 0.075 0.000 2.358 11 V HA -0.231 3.906 4.120 0.029 0.000 0.246 11 V C 1.924 178.078 176.094 0.099 0.000 1.047 11 V CA 1.663 64.006 62.300 0.071 0.000 1.035 11 V CB -0.593 31.271 31.823 0.069 0.000 0.658 11 V HN 0.316 nan 8.190 nan 0.000 0.452 12 F N 1.668 121.619 119.950 0.001 0.000 2.134 12 F HA -0.163 4.370 4.527 0.010 0.000 0.299 12 F C 2.280 178.078 175.800 -0.003 0.000 1.097 12 F CA 1.416 59.415 58.000 -0.001 0.000 1.264 12 F CB -0.629 38.370 39.000 -0.002 0.000 1.001 12 F HN 0.076 nan 8.300 nan 0.000 0.479 13 A N 0.381 123.160 122.820 -0.069 0.000 1.902 13 A HA -0.074 4.263 4.320 0.029 0.000 0.217 13 A C 2.427 179.910 177.584 -0.169 0.000 1.181 13 A CA 1.930 53.872 52.037 -0.159 0.000 0.623 13 A CB -1.581 17.407 19.000 -0.020 0.000 0.818 13 A HN 0.514 nan 8.150 nan 0.000 0.443 14 A N -0.201 122.562 122.820 -0.095 0.000 1.898 14 A HA -0.038 4.299 4.320 0.029 0.000 0.216 14 A C 2.121 179.645 177.584 -0.099 0.000 1.181 14 A CA 1.428 53.421 52.037 -0.074 0.000 0.620 14 A CB -0.561 18.420 19.000 -0.032 0.000 0.819 14 A HN 0.494 nan 8.150 nan 0.000 0.442 15 I N -0.390 120.105 120.570 -0.125 0.000 2.226 15 I HA -0.209 3.978 4.170 0.029 0.000 0.245 15 I C 2.420 178.422 176.117 -0.192 0.000 1.100 15 I CA 1.214 62.438 61.300 -0.125 0.000 1.374 15 I CB -0.325 37.623 38.000 -0.086 0.000 1.057 15 I HN 0.300 nan 8.210 nan 0.000 0.413 16 E N 0.605 120.592 120.200 -0.356 0.000 2.110 16 E HA -0.236 4.131 4.350 0.029 0.000 0.193 16 E C 2.142 178.626 176.600 -0.194 0.000 0.988 16 E CA 1.131 57.317 56.400 -0.356 0.000 0.804 16 E CB -0.217 29.134 29.700 -0.582 0.000 0.745 16 E HN 0.598 nan 8.360 nan 0.000 0.458 17 Q N 0.273 119.980 119.800 -0.155 0.000 2.084 17 Q HA -0.203 4.154 4.340 0.029 0.000 0.202 17 Q C 2.133 178.098 176.000 -0.057 0.000 0.978 17 Q CA 1.540 57.290 55.803 -0.087 0.000 0.844 17 Q CB -0.087 28.611 28.738 -0.066 0.000 0.898 17 Q HN 0.088 nan 8.270 nan 0.000 0.426 18 E N 1.102 121.268 120.200 -0.057 0.000 2.077 18 E HA -0.193 4.175 4.350 0.029 0.000 0.193 18 E C 1.817 178.408 176.600 -0.013 0.000 0.989 18 E CA 1.297 57.683 56.400 -0.024 0.000 0.800 18 E CB -0.068 29.621 29.700 -0.019 0.000 0.746 18 E HN 0.159 nan 8.360 nan 0.000 0.452 19 R N 0.191 120.666 120.500 -0.041 0.000 2.083 19 R HA -0.148 4.209 4.340 0.029 0.000 0.237 19 R C 2.157 178.443 176.300 -0.023 0.000 1.137 19 R CA 2.019 58.098 56.100 -0.035 0.000 0.951 19 R CB -0.068 30.192 30.300 -0.066 0.000 0.851 19 R HN 0.071 nan 8.270 nan 0.000 0.434 20 K N -0.365 120.013 120.400 -0.037 0.000 2.103 20 K HA -0.114 4.224 4.320 0.029 0.000 0.204 20 K C 2.257 178.876 176.600 0.032 0.000 1.052 20 K CA 1.048 57.325 56.287 -0.016 0.000 0.945 20 K CB -0.154 32.322 32.500 -0.041 0.000 0.722 20 K HN 0.120 nan 8.250 nan 0.000 0.443 21 R N 1.526 122.038 120.500 0.020 0.000 2.083 21 R HA -0.185 4.172 4.340 0.029 0.000 0.237 21 R C 2.054 178.388 176.300 0.057 0.000 1.137 21 R CA 1.715 57.837 56.100 0.035 0.000 0.951 21 R CB -0.067 30.248 30.300 0.025 0.000 0.851 21 R HN 0.287 nan 8.270 nan 0.000 0.434 22 Q N -1.330 118.508 119.800 0.063 0.000 2.181 22 Q HA -0.237 4.120 4.340 0.029 0.000 0.205 22 Q C 1.833 177.829 176.000 -0.006 0.000 0.980 22 Q CA 1.917 57.774 55.803 0.090 0.000 0.862 22 Q CB -0.131 28.675 28.738 0.112 0.000 0.905 22 Q HN 0.556 nan 8.270 nan 0.000 0.429 23 H N -0.610 118.401 119.070 -0.097 0.000 2.415 23 H HA 0.114 4.686 4.556 0.027 0.000 0.297 23 H C 1.822 177.123 175.328 -0.045 0.000 1.048 23 H CA 1.175 57.152 56.048 -0.118 0.000 1.365 23 H CB 0.176 29.876 29.762 -0.103 0.000 1.421 23 H HN 0.219 nan 8.280 nan 0.000 0.533 24 A N 0.899 123.776 122.820 0.095 0.000 1.929 24 A HA 0.025 4.362 4.320 0.029 0.000 0.216 24 A C 0.916 178.518 177.584 0.029 0.000 1.176 24 A CA 0.591 52.672 52.037 0.074 0.000 0.628 24 A CB 0.025 19.073 19.000 0.080 0.000 0.816 24 A HN 0.149 nan 8.150 nan 0.000 0.444 25 K N -0.097 120.320 120.400 0.027 0.000 2.098 25 K HA 0.478 4.816 4.320 0.029 0.000 0.257 25 K C -0.710 175.905 176.600 0.025 0.000 0.999 25 K CA -0.365 55.943 56.287 0.035 0.000 0.924 25 K CB 1.042 33.569 32.500 0.045 0.000 1.028 25 K HN 0.253 nan 8.250 nan 0.000 0.466 26 I N 2.188 122.780 120.570 0.038 0.000 2.308 26 I HA 0.004 4.191 4.170 0.029 0.000 0.293 26 I C 0.452 176.580 176.117 0.018 0.000 1.078 26 I CA -0.465 60.852 61.300 0.028 0.000 1.292 26 I CB 0.471 38.523 38.000 0.086 0.000 1.423 26 I HN 0.400 nan 8.210 nan 0.000 0.493 27 E N 7.428 127.634 120.200 0.011 0.000 2.052 27 E HA 0.229 4.597 4.350 0.029 0.000 0.283 27 E C -0.124 176.457 176.600 -0.032 0.000 1.071 27 E CA 0.152 56.557 56.400 0.009 0.000 0.851 27 E CB 0.543 30.272 29.700 0.048 0.000 1.066 27 E HN 0.564 nan 8.360 nan 0.000 0.396 28 L N 5.093 126.304 121.223 -0.019 0.000 2.959 28 L HA 0.360 4.717 4.340 0.029 0.000 0.259 28 L C 0.214 177.077 176.870 -0.012 0.000 1.185 28 L CA -0.385 54.445 54.840 -0.017 0.000 0.998 28 L CB 0.154 42.207 42.059 -0.010 0.000 1.337 28 L HN 0.516 nan 8.230 nan 0.000 0.555 29 I N 1.102 121.663 120.570 -0.014 0.000 2.587 29 I HA -0.067 4.121 4.170 0.029 0.000 0.284 29 I C 1.642 177.778 176.117 0.032 0.000 1.134 29 I CA 0.052 61.355 61.300 0.006 0.000 1.410 29 I CB 1.402 39.401 38.000 -0.001 0.000 1.392 29 I HN 0.180 nan 8.210 nan 0.000 0.545 30 A N 4.606 127.478 122.820 0.086 0.000 2.019 30 A HA -0.148 4.189 4.320 0.029 0.000 0.219 30 A C 2.145 179.887 177.584 0.263 0.000 1.164 30 A CA 1.822 53.968 52.037 0.182 0.000 0.644 30 A CB -0.404 18.692 19.000 0.160 0.000 0.805 30 A HN 0.799 nan 8.150 nan 0.000 0.449 31 S N -0.914 114.884 115.700 0.163 0.000 2.575 31 S HA 0.181 4.668 4.470 0.029 0.000 0.215 31 S C 0.382 174.959 174.600 -0.038 0.000 0.966 31 S CA -0.285 57.895 58.200 -0.033 0.000 0.911 31 S CB 0.049 63.231 63.200 -0.030 0.000 0.780 31 S HN 0.611 nan 8.310 nan 0.000 0.514 32 E N 1.122 121.300 120.200 -0.037 0.000 2.227 32 E HA 0.543 4.910 4.350 0.029 0.000 0.268 32 E C -0.614 175.868 176.600 -0.197 0.000 0.990 32 E CA -0.753 55.580 56.400 -0.112 0.000 0.856 32 E CB 0.811 30.420 29.700 -0.152 0.000 1.159 32 E HN 0.153 nan 8.360 nan 0.000 0.401 33 N N 0.163 118.684 118.700 -0.299 0.000 3.106 33 N HA 0.355 5.112 4.740 0.029 0.000 0.253 33 N C -1.913 173.278 175.510 -0.532 0.000 1.506 33 N CA -0.547 52.277 53.050 -0.377 0.000 0.876 33 N CB 1.006 39.441 38.487 -0.086 0.000 1.452 33 N HN 0.194 nan 8.380 nan 0.000 0.542 34 F N 1.063 121.021 119.950 0.013 0.000 2.449 34 F HA 0.376 4.916 4.527 0.022 0.000 0.342 34 F C 0.684 176.475 175.800 -0.014 0.000 1.127 34 F CA -0.880 57.116 58.000 -0.006 0.000 0.975 34 F CB 1.155 40.143 39.000 -0.019 0.000 1.146 34 F HN 0.124 nan 8.300 nan 0.000 0.444 35 V N 0.363 120.370 119.914 0.156 0.000 2.953 35 V HA 0.646 4.783 4.120 0.029 0.000 0.304 35 V C 0.403 176.534 176.094 0.062 0.000 1.073 35 V CA -0.880 61.465 62.300 0.075 0.000 1.064 35 V CB 1.057 32.904 31.823 0.040 0.000 1.047 35 V HN 0.832 nan 8.190 nan 0.000 0.478 36 S N 2.916 118.630 115.700 0.024 0.000 2.600 36 S HA 0.327 4.814 4.470 0.029 0.000 0.265 36 S C 0.880 175.485 174.600 0.009 0.000 1.325 36 S CA -0.244 57.963 58.200 0.012 0.000 1.002 36 S CB 0.661 63.859 63.200 -0.004 0.000 0.921 36 S HN 0.753 nan 8.310 nan 0.000 0.554 37 R N 0.643 121.146 120.500 0.006 0.000 2.148 37 R HA -0.038 4.319 4.340 0.029 0.000 0.227 37 R C 2.479 178.779 176.300 -0.001 0.000 1.103 37 R CA 1.146 57.249 56.100 0.004 0.000 0.983 37 R CB -0.849 29.453 30.300 0.003 0.000 0.874 37 R HN 0.817 nan 8.270 nan 0.000 0.451 38 A N 0.638 123.454 122.820 -0.007 0.000 1.898 38 A HA -0.103 4.235 4.320 0.029 0.000 0.216 38 A C 2.303 179.873 177.584 -0.024 0.000 1.181 38 A CA 1.205 53.233 52.037 -0.015 0.000 0.620 38 A CB -0.495 18.494 19.000 -0.019 0.000 0.819 38 A HN 0.101 nan 8.150 nan 0.000 0.442 39 V N 0.041 119.937 119.914 -0.029 0.000 2.332 39 V HA -0.340 3.797 4.120 0.029 0.000 0.248 39 V C 2.668 178.746 176.094 -0.028 0.000 1.055 39 V CA 2.362 64.636 62.300 -0.043 0.000 1.038 39 V CB -0.683 31.111 31.823 -0.047 0.000 0.651 39 V HN 0.578 nan 8.190 nan 0.000 0.450 40 M N -0.864 118.730 119.600 -0.009 0.000 2.117 40 M HA -0.199 4.299 4.480 0.029 0.000 0.262 40 M C 2.205 178.510 176.300 0.007 0.000 1.065 40 M CA 1.815 57.117 55.300 0.003 0.000 1.114 40 M CB -0.513 32.096 32.600 0.014 0.000 1.361 40 M HN 0.369 nan 8.290 nan 0.000 0.408 41 E N 0.434 120.636 120.200 0.003 0.000 2.110 41 E HA -0.172 4.195 4.350 0.029 0.000 0.193 41 E C 2.076 178.678 176.600 0.003 0.000 0.988 41 E CA 1.257 57.660 56.400 0.005 0.000 0.804 41 E CB -0.142 29.558 29.700 0.001 0.000 0.745 41 E HN 0.507 nan 8.360 nan 0.000 0.458 42 A N 1.152 123.969 122.820 -0.006 0.000 1.902 42 A HA -0.240 4.097 4.320 0.029 0.000 0.217 42 A C 2.039 179.637 177.584 0.022 0.000 1.181 42 A CA 1.291 53.325 52.037 -0.006 0.000 0.623 42 A CB -0.358 18.622 19.000 -0.033 0.000 0.818 42 A HN 0.180 nan 8.150 nan 0.000 0.443 43 Q N -1.016 118.797 119.800 0.022 0.000 2.167 43 Q HA -0.080 4.277 4.340 0.029 0.000 0.202 43 Q C 1.680 177.754 176.000 0.123 0.000 0.970 43 Q CA 0.998 56.845 55.803 0.073 0.000 0.855 43 Q CB -0.260 28.493 28.738 0.025 0.000 0.911 43 Q HN 0.654 nan 8.270 nan 0.000 0.438 44 G N 1.133 109.965 108.800 0.054 0.000 3.327 44 G HA2 0.050 4.027 3.960 0.029 0.000 0.240 44 G HA3 0.050 4.027 3.960 0.029 0.000 0.240 44 G C 0.244 175.144 174.900 -0.001 0.000 1.222 44 G CA 0.007 45.123 45.100 0.027 0.000 0.871 44 G HN 0.238 nan 8.290 nan 0.000 0.525 45 S N -0.980 114.722 115.700 0.004 0.000 2.707 45 S HA 0.315 4.802 4.470 0.029 0.000 0.276 45 S C 1.496 176.055 174.600 -0.068 0.000 1.179 45 S CA 0.023 58.211 58.200 -0.021 0.000 0.992 45 S CB 1.549 64.749 63.200 0.000 0.000 1.030 45 S HN 0.535 nan 8.310 nan 0.000 0.554 46 V N -0.735 119.140 119.914 -0.065 0.000 3.444 46 V HA 0.070 4.207 4.120 0.029 0.000 0.271 46 V C 1.604 177.641 176.094 -0.094 0.000 1.188 46 V CA 0.831 63.078 62.300 -0.087 0.000 1.168 46 V CB -1.394 30.390 31.823 -0.066 0.000 0.810 46 V HN 0.688 nan 8.190 nan 0.000 0.500 47 L N 0.925 122.109 121.223 -0.065 0.000 2.362 47 L HA -0.058 4.300 4.340 0.029 0.000 0.219 47 L C 2.730 179.542 176.870 -0.097 0.000 1.134 47 L CA 2.216 57.035 54.840 -0.034 0.000 0.807 47 L CB -1.139 40.943 42.059 0.039 0.000 0.927 47 L HN 0.520 nan 8.230 nan 0.000 0.447 48 T N -1.140 113.223 114.554 -0.319 0.000 2.929 48 T HA -0.172 4.196 4.350 0.029 0.000 0.271 48 T C 1.602 176.128 174.700 -0.291 0.000 1.085 48 T CA 1.730 63.495 62.100 -0.558 0.000 1.125 48 T CB -0.375 67.933 68.868 -0.933 0.000 0.874 48 T HN 0.524 nan 8.240 nan 0.000 0.494 49 N N -0.105 118.475 118.700 -0.200 0.000 2.459 49 N HA 0.013 4.770 4.740 0.029 0.000 0.181 49 N C 0.422 175.857 175.510 -0.126 0.000 1.046 49 N CA 0.263 53.228 53.050 -0.142 0.000 0.904 49 N CB 0.126 38.554 38.487 -0.098 0.000 0.964 49 N HN 0.131 nan 8.380 nan 0.000 0.444 50 K N 0.815 121.134 120.400 -0.135 0.000 2.234 50 K HA 0.145 4.482 4.320 0.029 0.000 0.277 50 K C -1.434 175.034 176.600 -0.220 0.000 1.038 50 K CA -0.429 55.783 56.287 -0.124 0.000 0.888 50 K CB 0.180 32.637 32.500 -0.070 0.000 1.091 50 K HN -0.061 nan 8.250 nan 0.000 0.467 51 Y N 2.399 122.498 120.300 -0.335 0.000 2.402 51 Y HA 0.323 4.894 4.550 0.036 0.000 0.333 51 Y C 0.509 176.077 175.900 -0.554 0.000 1.076 51 Y CA 0.423 58.178 58.100 -0.575 0.000 1.299 51 Y CB 1.323 39.144 38.460 -1.065 0.000 1.197 51 Y HN 0.714 nan 8.280 nan 0.000 0.517 52 A N 4.231 126.958 122.820 -0.155 0.000 3.045 52 A HA 0.257 4.595 4.320 0.029 0.000 0.244 52 A C -0.200 177.363 177.584 -0.035 0.000 0.917 52 A CA -0.596 51.420 52.037 -0.035 0.000 1.075 52 A CB -0.327 18.630 19.000 -0.072 0.000 1.202 52 A HN 0.780 nan 8.150 nan 0.000 0.486 53 E N 0.326 120.582 120.200 0.094 0.000 2.481 53 E HA 0.360 4.727 4.350 0.029 0.000 0.263 53 E C 1.050 177.539 176.600 -0.184 0.000 0.992 53 E CA 1.407 57.624 56.400 -0.305 0.000 0.938 53 E CB 0.527 30.054 29.700 -0.289 0.000 0.933 53 E HN 1.102 nan 8.360 nan 0.000 0.453 54 G N 1.564 110.099 108.800 -0.442 0.000 2.512 54 G HA2 -0.234 3.743 3.960 0.029 0.000 0.210 54 G HA3 -0.234 3.743 3.960 0.029 0.000 0.210 54 G C -1.395 173.203 174.900 -0.503 0.000 1.295 54 G CA -0.611 44.419 45.100 -0.116 0.000 0.934 54 G HN 0.451 nan 8.290 nan 0.000 0.554 55 Y N -0.167 120.149 120.300 0.026 0.000 2.605 55 Y HA 0.602 5.169 4.550 0.030 0.000 0.343 55 Y C -2.047 173.853 175.900 0.000 0.000 1.036 55 Y CA -1.837 56.285 58.100 0.036 0.000 1.065 55 Y CB 1.974 40.485 38.460 0.084 0.000 1.288 55 Y HN 0.436 nan 8.280 nan 0.000 0.481 56 P HA 0.035 nan 4.420 nan 0.000 0.260 56 P C 0.659 177.994 177.300 0.059 0.000 1.172 56 P CA 2.176 65.325 63.100 0.082 0.000 0.760 56 P CB 0.231 31.984 31.700 0.088 0.000 0.773 57 G N 3.252 112.060 108.800 0.013 0.000 2.212 57 G HA2 -0.279 3.698 3.960 0.029 0.000 0.266 57 G HA3 -0.279 3.698 3.960 0.029 0.000 0.266 57 G C 0.555 175.440 174.900 -0.025 0.000 0.978 57 G CA -0.184 44.913 45.100 -0.006 0.000 0.632 57 G HN 0.557 nan 8.290 nan 0.000 0.537 58 R N 0.278 120.762 120.500 -0.027 0.000 2.795 58 R HA 0.273 4.630 4.340 0.029 0.000 0.320 58 R C 0.423 176.574 176.300 -0.248 0.000 1.223 58 R CA -0.451 55.591 56.100 -0.097 0.000 1.305 58 R CB 0.371 30.667 30.300 -0.008 0.000 1.318 58 R HN 0.278 nan 8.270 nan 0.000 0.636 59 R N 0.042 120.405 120.500 -0.229 0.000 2.543 59 R HA 0.253 4.611 4.340 0.029 0.000 0.268 59 R C 0.358 176.417 176.300 -0.401 0.000 1.067 59 R CA -0.326 55.628 56.100 -0.242 0.000 1.142 59 R CB 0.514 30.784 30.300 -0.049 0.000 1.110 59 R HN 0.165 nan 8.270 nan 0.000 0.549 60 Y N -0.480 119.822 120.300 0.004 0.000 2.555 60 Y HA 0.267 4.833 4.550 0.027 0.000 0.259 60 Y C -0.411 175.257 175.900 -0.387 0.000 1.179 60 Y CA -0.164 57.846 58.100 -0.150 0.000 1.230 60 Y CB 0.263 38.623 38.460 -0.166 0.000 1.146 60 Y HN 0.396 nan 8.280 nan 0.000 0.526 61 Y N -0.851 119.483 120.300 0.057 0.000 2.524 61 Y HA 0.626 5.196 4.550 0.034 0.000 0.347 61 Y C 0.763 176.661 175.900 -0.003 0.000 1.005 61 Y CA -1.876 56.243 58.100 0.031 0.000 1.025 61 Y CB 1.348 39.833 38.460 0.042 0.000 1.275 61 Y HN -0.029 nan 8.280 nan 0.000 0.460 62 G N -0.118 108.771 108.800 0.149 0.000 2.599 62 G HA2 0.408 4.385 3.960 0.029 0.000 0.264 62 G HA3 0.408 4.385 3.960 0.029 0.000 0.264 62 G C 0.785 175.720 174.900 0.059 0.000 1.200 62 G CA -0.100 45.041 45.100 0.068 0.000 0.896 62 G HN 1.447 nan 8.290 nan 0.000 0.536 63 G N -2.094 106.707 108.800 0.001 0.000 2.143 63 G HA2 -0.286 3.691 3.960 0.029 0.000 0.248 63 G HA3 -0.286 3.691 3.960 0.029 0.000 0.248 63 G C 0.887 175.756 174.900 -0.051 0.000 0.991 63 G CA 0.531 45.617 45.100 -0.024 0.000 0.689 63 G HN 0.914 nan 8.290 nan 0.000 0.522 64 C N 0.201 119.465 119.300 -0.060 0.000 2.673 64 C HA 0.331 4.808 4.460 0.029 0.000 0.274 64 C C 2.288 177.199 174.990 -0.131 0.000 1.276 64 C CA 0.451 59.433 59.018 -0.060 0.000 1.701 64 C CB -0.516 27.214 27.740 -0.017 0.000 1.836 64 C HN 0.644 nan 8.230 nan 0.000 0.596 65 E N 0.695 120.724 120.200 -0.285 0.000 2.130 65 E HA -0.212 4.155 4.350 0.029 0.000 0.196 65 E C 1.183 177.570 176.600 -0.356 0.000 0.998 65 E CA 1.850 58.000 56.400 -0.418 0.000 0.806 65 E CB -0.226 29.049 29.700 -0.708 0.000 0.738 65 E HN 0.807 nan 8.360 nan 0.000 0.459 66 Y N -0.996 119.306 120.300 0.004 0.000 2.389 66 Y HA -0.020 4.547 4.550 0.028 0.000 0.292 66 Y C 2.266 178.166 175.900 -0.001 0.000 1.117 66 Y CA 0.329 58.429 58.100 0.001 0.000 1.195 66 Y CB -0.101 38.357 38.460 -0.003 0.000 1.076 66 Y HN 0.010 nan 8.280 nan 0.000 0.548 67 V N -1.993 117.986 119.914 0.108 0.000 2.626 67 V HA -0.185 3.953 4.120 0.029 0.000 0.252 67 V C 1.336 177.451 176.094 0.035 0.000 1.067 67 V CA 1.951 64.285 62.300 0.056 0.000 1.081 67 V CB -0.425 31.412 31.823 0.023 0.000 0.686 67 V HN 0.176 nan 8.190 nan 0.000 0.468 68 D N 1.044 121.455 120.400 0.020 0.000 2.117 68 D HA -0.069 4.589 4.640 0.029 0.000 0.197 68 D C 2.047 178.371 176.300 0.040 0.000 0.987 68 D CA 1.940 55.952 54.000 0.020 0.000 0.829 68 D CB -0.266 40.530 40.800 -0.006 0.000 0.961 68 D HN 0.541 nan 8.370 nan 0.000 0.460 69 I N 0.174 120.777 120.570 0.054 0.000 2.179 69 I HA -0.240 3.948 4.170 0.029 0.000 0.242 69 I C 2.411 178.561 176.117 0.056 0.000 1.088 69 I CA 0.601 61.939 61.300 0.065 0.000 1.357 69 I CB -0.276 37.782 38.000 0.097 0.000 1.051 69 I HN -0.103 nan 8.210 nan 0.000 0.409 70 V N 0.767 120.714 119.914 0.055 0.000 2.287 70 V HA -0.341 3.796 4.120 0.029 0.000 0.248 70 V C 2.520 178.635 176.094 0.035 0.000 1.053 70 V CA 2.385 64.707 62.300 0.037 0.000 1.027 70 V CB -0.659 31.182 31.823 0.030 0.000 0.646 70 V HN 0.504 nan 8.190 nan 0.000 0.447 71 E N -0.451 119.774 120.200 0.041 0.000 2.106 71 E HA -0.215 4.153 4.350 0.029 0.000 0.192 71 E C 2.270 178.913 176.600 0.071 0.000 0.984 71 E CA 1.070 57.502 56.400 0.054 0.000 0.806 71 E CB -0.019 29.715 29.700 0.056 0.000 0.750 71 E HN 0.550 nan 8.360 nan 0.000 0.458 72 E N 0.532 120.771 120.200 0.065 0.000 2.077 72 E HA -0.170 4.197 4.350 0.029 0.000 0.193 72 E C 2.307 178.945 176.600 0.063 0.000 0.989 72 E CA 0.675 57.113 56.400 0.063 0.000 0.800 72 E CB -0.155 29.577 29.700 0.054 0.000 0.746 72 E HN 0.387 nan 8.360 nan 0.000 0.452 73 L N 0.499 121.758 121.223 0.061 0.000 2.042 73 L HA -0.223 4.134 4.340 0.029 0.000 0.210 73 L C 2.572 179.506 176.870 0.107 0.000 1.076 73 L CA 1.312 56.191 54.840 0.064 0.000 0.749 73 L CB -0.507 41.579 42.059 0.046 0.000 0.893 73 L HN 0.079 nan 8.230 nan 0.000 0.432 74 A N -0.014 122.878 122.820 0.121 0.000 1.877 74 A HA -0.198 4.139 4.320 0.029 0.000 0.216 74 A C 2.379 180.132 177.584 0.281 0.000 1.186 74 A CA 1.481 53.663 52.037 0.242 0.000 0.620 74 A CB -0.456 18.633 19.000 0.150 0.000 0.822 74 A HN 0.320 nan 8.150 nan 0.000 0.443 75 R N -0.601 119.983 120.500 0.141 0.000 2.073 75 R HA -0.097 4.260 4.340 0.029 0.000 0.234 75 R C 2.035 178.350 176.300 0.025 0.000 1.134 75 R CA 1.357 57.491 56.100 0.057 0.000 0.952 75 R CB -0.342 29.966 30.300 0.013 0.000 0.850 75 R HN 0.467 nan 8.270 nan 0.000 0.433 76 E N 0.631 120.856 120.200 0.041 0.000 2.106 76 E HA -0.126 4.241 4.350 0.029 0.000 0.192 76 E C 2.032 178.640 176.600 0.012 0.000 0.984 76 E CA 1.003 57.416 56.400 0.023 0.000 0.806 76 E CB -0.074 29.644 29.700 0.029 0.000 0.750 76 E HN 0.295 nan 8.360 nan 0.000 0.458 77 R N 0.475 121.003 120.500 0.047 0.000 2.075 77 R HA -0.008 4.349 4.340 0.029 0.000 0.232 77 R C 2.342 178.585 176.300 -0.095 0.000 1.126 77 R CA 1.158 57.276 56.100 0.029 0.000 0.963 77 R CB -0.275 30.113 30.300 0.146 0.000 0.858 77 R HN 0.096 nan 8.270 nan 0.000 0.435 78 A N 1.403 124.118 122.820 -0.176 0.000 1.902 78 A HA -0.201 4.136 4.320 0.029 0.000 0.217 78 A C 1.894 179.414 177.584 -0.106 0.000 1.181 78 A CA 1.455 53.272 52.037 -0.365 0.000 0.623 78 A CB -0.241 18.492 19.000 -0.445 0.000 0.818 78 A HN 0.184 nan 8.150 nan 0.000 0.443 79 K N -0.786 119.576 120.400 -0.062 0.000 2.057 79 K HA -0.170 4.167 4.320 0.029 0.000 0.207 79 K C 2.382 178.964 176.600 -0.031 0.000 1.049 79 K CA 1.535 57.811 56.287 -0.019 0.000 0.931 79 K CB -0.149 32.343 32.500 -0.014 0.000 0.714 79 K HN 0.655 nan 8.250 nan 0.000 0.440 80 Q N 0.518 120.283 119.800 -0.059 0.000 2.119 80 Q HA -0.162 4.195 4.340 0.029 0.000 0.201 80 Q C 2.020 177.940 176.000 -0.133 0.000 0.972 80 Q CA 1.047 56.807 55.803 -0.071 0.000 0.847 80 Q CB 0.065 28.768 28.738 -0.058 0.000 0.903 80 Q HN 0.162 nan 8.270 nan 0.000 0.433 81 L N -0.646 120.433 121.223 -0.241 0.000 2.109 81 L HA -0.057 4.300 4.340 0.029 0.000 0.207 81 L C 1.108 177.613 176.870 -0.608 0.000 1.086 81 L CA 1.731 56.274 54.840 -0.494 0.000 0.760 81 L CB -0.128 41.477 42.059 -0.756 0.000 0.910 81 L HN 0.219 nan 8.230 nan 0.000 0.437 82 F N -1.090 118.799 119.950 -0.102 0.000 2.682 82 F HA 0.422 4.965 4.527 0.026 0.000 0.308 82 F C 1.723 177.490 175.800 -0.054 0.000 1.093 82 F CA 0.209 58.164 58.000 -0.075 0.000 1.244 82 F CB -0.164 38.770 39.000 -0.110 0.000 1.052 82 F HN 0.067 nan 8.300 nan 0.000 0.573 83 G N 1.144 109.986 108.800 0.069 0.000 2.179 83 G HA2 -0.153 3.824 3.960 0.029 0.000 0.257 83 G HA3 -0.153 3.824 3.960 0.029 0.000 0.257 83 G C 0.393 175.315 174.900 0.037 0.000 1.010 83 G CA 0.082 45.204 45.100 0.036 0.000 0.736 83 G HN 0.653 nan 8.290 nan 0.000 0.513 84 A N -0.669 122.184 122.820 0.054 0.000 2.322 84 A HA 0.725 5.062 4.320 0.029 0.000 0.269 84 A C 1.066 178.669 177.584 0.033 0.000 1.094 84 A CA 0.649 52.707 52.037 0.035 0.000 0.807 84 A CB 0.484 19.503 19.000 0.030 0.000 1.047 84 A HN 0.411 nan 8.150 nan 0.000 0.487 85 E N -0.532 119.695 120.200 0.045 0.000 2.230 85 E HA -0.011 4.356 4.350 0.029 0.000 0.192 85 E C 0.156 176.831 176.600 0.125 0.000 0.987 85 E CA 0.626 57.062 56.400 0.059 0.000 0.841 85 E CB 0.142 29.866 29.700 0.041 0.000 0.783 85 E HN 0.680 nan 8.360 nan 0.000 0.481 86 H N -1.076 118.000 119.070 0.011 0.000 2.974 86 H HA 0.572 5.146 4.556 0.030 0.000 0.366 86 H C -1.870 173.471 175.328 0.022 0.000 1.155 86 H CA -0.578 55.479 56.048 0.016 0.000 1.186 86 H CB 1.966 31.741 29.762 0.021 0.000 1.799 86 H HN 0.021 nan 8.280 nan 0.000 0.541 87 A N 3.910 126.377 122.820 -0.588 0.000 2.386 87 A HA 0.338 4.675 4.320 0.029 0.000 0.311 87 A C -0.952 176.339 177.584 -0.489 0.000 1.068 87 A CA -0.893 50.916 52.037 -0.380 0.000 0.743 87 A CB 1.564 20.458 19.000 -0.176 0.000 1.258 87 A HN 0.678 nan 8.150 nan 0.000 0.429 88 N N 1.838 120.441 118.700 -0.162 0.000 2.442 88 N HA 0.329 5.086 4.740 0.029 0.000 0.274 88 N C -0.043 175.506 175.510 0.065 0.000 1.002 88 N CA -0.166 52.891 53.050 0.012 0.000 0.910 88 N CB 1.911 40.475 38.487 0.129 0.000 1.244 88 N HN 0.719 nan 8.380 nan 0.000 0.492 89 V N 1.277 121.252 119.914 0.102 0.000 3.376 89 V HA 0.247 4.385 4.120 0.029 0.000 0.313 89 V C 1.211 177.348 176.094 0.072 0.000 1.393 89 V CA 0.211 62.579 62.300 0.114 0.000 1.125 89 V CB 0.016 31.936 31.823 0.162 0.000 1.037 89 V HN 0.535 nan 8.190 nan 0.000 0.440 90 Q N 0.608 120.447 119.800 0.065 0.000 2.398 90 Q HA 0.183 4.541 4.340 0.029 0.000 0.204 90 Q C -1.609 174.325 176.000 -0.110 0.000 0.932 90 Q CA -0.494 55.299 55.803 -0.016 0.000 0.916 90 Q CB -0.726 27.997 28.738 -0.024 0.000 1.024 90 Q HN 0.552 nan 8.270 nan 0.000 0.504 91 P HA -0.108 nan 4.420 nan 0.000 0.261 91 P C -0.090 177.168 177.300 -0.070 0.000 1.183 91 P CA 0.606 63.638 63.100 -0.114 0.000 0.761 91 P CB 0.400 32.079 31.700 -0.035 0.000 0.785 92 H N 0.562 119.626 119.070 -0.011 0.000 2.521 92 H HA 0.013 4.586 4.556 0.029 0.000 0.286 92 H C 1.024 176.346 175.328 -0.009 0.000 1.034 92 H CA 1.136 57.169 56.048 -0.026 0.000 1.278 92 H CB 0.082 29.823 29.762 -0.034 0.000 1.386 92 H HN 0.510 nan 8.280 nan 0.000 0.567 93 S N -2.929 112.839 115.700 0.113 0.000 2.655 93 S HA 0.381 4.868 4.470 0.029 0.000 0.266 93 S C 1.293 175.937 174.600 0.072 0.000 1.149 93 S CA -0.381 57.884 58.200 0.108 0.000 0.818 93 S CB 0.991 64.250 63.200 0.099 0.000 1.130 93 S HN 0.089 nan 8.310 nan 0.000 0.476 94 G N 0.650 109.496 108.800 0.077 0.000 2.422 94 G HA2 0.139 4.117 3.960 0.029 0.000 0.218 94 G HA3 0.139 4.117 3.960 0.029 0.000 0.218 94 G C 1.518 176.441 174.900 0.038 0.000 1.146 94 G CA 1.147 46.253 45.100 0.010 0.000 0.769 94 G HN 1.351 nan 8.290 nan 0.000 0.547 95 A N 0.314 123.191 122.820 0.094 0.000 1.883 95 A HA -0.126 4.211 4.320 0.029 0.000 0.217 95 A C 2.371 180.009 177.584 0.089 0.000 1.186 95 A CA 2.220 54.357 52.037 0.167 0.000 0.624 95 A CB -0.421 18.688 19.000 0.183 0.000 0.822 95 A HN 0.348 nan 8.150 nan 0.000 0.444 96 Q N -0.613 119.197 119.800 0.017 0.000 2.172 96 Q HA 0.138 4.495 4.340 0.029 0.000 0.200 96 Q C 2.261 178.228 176.000 -0.056 0.000 0.964 96 Q CA 1.469 57.242 55.803 -0.050 0.000 0.855 96 Q CB -0.602 28.110 28.738 -0.043 0.000 0.918 96 Q HN 0.652 nan 8.270 nan 0.000 0.444 97 A N 0.788 123.587 122.820 -0.036 0.000 1.877 97 A HA -0.227 4.110 4.320 0.029 0.000 0.216 97 A C 1.786 179.306 177.584 -0.107 0.000 1.186 97 A CA 1.768 53.773 52.037 -0.054 0.000 0.620 97 A CB -0.579 18.396 19.000 -0.041 0.000 0.822 97 A HN 0.333 nan 8.150 nan 0.000 0.443 98 N N -0.608 118.024 118.700 -0.114 0.000 2.120 98 N HA -0.143 4.614 4.740 0.029 0.000 0.188 98 N C 1.731 176.975 175.510 -0.443 0.000 1.024 98 N CA 1.644 54.505 53.050 -0.316 0.000 0.852 98 N CB -0.535 37.851 38.487 -0.170 0.000 1.003 98 N HN 0.624 nan 8.380 nan 0.000 0.424 99 M N 0.612 120.197 119.600 -0.025 0.000 2.106 99 M HA -0.179 4.318 4.480 0.029 0.000 0.259 99 M C 1.817 178.162 176.300 0.075 0.000 1.068 99 M CA 1.793 57.169 55.300 0.126 0.000 1.100 99 M CB -0.039 32.426 32.600 -0.225 0.000 1.351 99 M HN 0.193 nan 8.290 nan 0.000 0.404 100 A N -0.676 122.123 122.820 -0.035 0.000 1.930 100 A HA -0.093 4.244 4.320 0.029 0.000 0.217 100 A C 2.004 179.581 177.584 -0.012 0.000 1.175 100 A CA 1.713 53.755 52.037 0.008 0.000 0.627 100 A CB -0.970 18.019 19.000 -0.018 0.000 0.815 100 A HN 0.433 nan 8.150 nan 0.000 0.443 101 V N -1.053 118.752 119.914 -0.182 0.000 2.358 101 V HA -0.242 3.895 4.120 0.029 0.000 0.246 101 V C 2.413 178.346 176.094 -0.269 0.000 1.047 101 V CA 1.731 63.800 62.300 -0.385 0.000 1.035 101 V CB -1.090 30.442 31.823 -0.485 0.000 0.658 101 V HN 0.629 nan 8.190 nan 0.000 0.452 102 Y N -0.847 119.385 120.300 -0.112 0.000 2.181 102 Y HA -0.194 4.374 4.550 0.030 0.000 0.288 102 Y C 2.285 178.174 175.900 -0.019 0.000 1.146 102 Y CA 0.902 58.908 58.100 -0.157 0.000 1.164 102 Y CB -1.222 37.232 38.460 -0.010 0.000 0.982 102 Y HN 0.280 nan 8.280 nan 0.000 0.515 103 F N 0.677 120.726 119.950 0.164 0.000 2.216 103 F HA -0.202 4.343 4.527 0.030 0.000 0.300 103 F C 2.164 177.970 175.800 0.010 0.000 1.085 103 F CA 1.809 59.887 58.000 0.130 0.000 1.326 103 F CB -0.405 38.654 39.000 0.098 0.000 1.027 103 F HN -0.045 nan 8.300 nan 0.000 0.497 104 T N -0.563 113.979 114.554 -0.019 0.000 2.770 104 T HA -0.118 4.249 4.350 0.029 0.000 0.263 104 T C 1.946 176.499 174.700 -0.244 0.000 1.039 104 T CA 1.978 63.987 62.100 -0.152 0.000 1.142 104 T CB -0.513 68.212 68.868 -0.238 0.000 0.868 104 T HN 0.244 nan 8.240 nan 0.000 0.435 105 V N -1.699 118.010 119.914 -0.342 0.000 3.661 105 V HA 0.486 4.623 4.120 0.029 0.000 0.271 105 V C 0.342 176.306 176.094 -0.217 0.000 1.315 105 V CA -0.127 61.949 62.300 -0.374 0.000 1.072 105 V CB -0.531 30.860 31.823 -0.721 0.000 0.830 105 V HN 0.230 nan 8.190 nan 0.000 0.443 106 L N 0.855 121.972 121.223 -0.177 0.000 2.342 106 L HA 0.675 5.032 4.340 0.029 0.000 0.271 106 L C -0.192 176.707 176.870 0.047 0.000 1.008 106 L CA -0.525 54.254 54.840 -0.102 0.000 0.818 106 L CB 2.073 43.940 42.059 -0.321 0.000 1.296 106 L HN 0.119 nan 8.230 nan 0.000 0.427 107 E N 0.059 120.315 120.200 0.093 0.000 2.227 107 E HA 0.205 4.572 4.350 0.029 0.000 0.268 107 E C -0.632 176.117 176.600 0.248 0.000 0.990 107 E CA -0.822 55.659 56.400 0.135 0.000 0.856 107 E CB 1.176 30.919 29.700 0.071 0.000 1.159 107 E HN 0.460 nan 8.360 nan 0.000 0.401 108 H N 0.710 119.836 119.070 0.095 0.000 3.125 108 H HA -0.077 4.496 4.556 0.028 0.000 0.310 108 H C 0.866 176.215 175.328 0.035 0.000 0.980 108 H CA 1.863 57.912 56.048 0.003 0.000 1.422 108 H CB 0.181 29.922 29.762 -0.034 0.000 1.432 108 H HN 0.832 nan 8.280 nan 0.000 0.577 109 G N 4.501 113.025 108.800 -0.461 0.000 2.175 109 G HA2 -0.249 3.728 3.960 0.029 0.000 0.244 109 G HA3 -0.249 3.728 3.960 0.029 0.000 0.244 109 G C 0.030 174.879 174.900 -0.085 0.000 0.982 109 G CA 0.203 45.106 45.100 -0.327 0.000 0.641 109 G HN 0.683 nan 8.290 nan 0.000 0.527 110 D N 1.422 121.835 120.400 0.022 0.000 2.423 110 D HA 0.414 5.071 4.640 0.029 0.000 0.238 110 D C 0.876 177.127 176.300 -0.082 0.000 1.142 110 D CA 0.790 54.785 54.000 -0.010 0.000 0.884 110 D CB 0.709 41.504 40.800 -0.009 0.000 1.199 110 D HN 0.123 nan 8.370 nan 0.000 0.438 111 T N 1.355 115.842 114.554 -0.112 0.000 2.832 111 T HA 0.392 4.759 4.350 0.029 0.000 0.296 111 T C 0.047 174.565 174.700 -0.303 0.000 0.968 111 T CA -0.499 61.496 62.100 -0.175 0.000 1.107 111 T CB 0.712 69.527 68.868 -0.088 0.000 0.916 111 T HN -0.000 nan 8.240 nan 0.000 0.517 112 V N 4.138 123.728 119.914 -0.540 0.000 2.735 112 V HA 0.529 4.666 4.120 0.029 0.000 0.310 112 V C -0.666 175.082 176.094 -0.577 0.000 1.061 112 V CA -1.066 60.783 62.300 -0.750 0.000 0.913 112 V CB 1.979 32.857 31.823 -1.575 0.000 1.005 112 V HN 0.664 nan 8.190 nan 0.000 0.428 113 L N 3.714 124.781 121.223 -0.259 0.000 2.287 113 L HA 0.950 5.307 4.340 0.029 0.000 0.287 113 L C 0.247 177.184 176.870 0.112 0.000 1.022 113 L CA 0.492 55.320 54.840 -0.020 0.000 0.814 113 L CB 0.910 43.044 42.059 0.125 0.000 1.217 113 L HN 0.824 nan 8.230 nan 0.000 0.420 114 G N 4.032 112.886 108.800 0.089 0.000 2.730 114 G HA2 0.441 4.418 3.960 0.029 0.000 0.289 114 G HA3 0.441 4.418 3.960 0.029 0.000 0.289 114 G C -1.211 173.316 174.900 -0.621 0.000 1.341 114 G CA -0.959 44.136 45.100 -0.009 0.000 0.932 114 G HN 0.651 nan 8.290 nan 0.000 0.481 115 M N 1.721 120.885 119.600 -0.727 0.000 2.219 115 M HA 0.140 4.637 4.480 0.029 0.000 0.353 115 M C 0.627 176.642 176.300 -0.475 0.000 1.304 115 M CA -0.603 54.135 55.300 -0.938 0.000 1.115 115 M CB 0.384 32.760 32.600 -0.373 0.000 1.664 115 M HN 0.597 nan 8.290 nan 0.000 0.459 116 N N 3.950 122.349 118.700 -0.502 0.000 2.301 116 N HA -0.093 4.665 4.740 0.029 0.000 0.267 116 N C 0.426 175.783 175.510 -0.255 0.000 1.304 116 N CA 0.243 53.043 53.050 -0.417 0.000 0.851 116 N CB 0.552 38.587 38.487 -0.754 0.000 1.070 116 N HN 0.714 nan 8.380 nan 0.000 0.483 117 L N 3.186 124.285 121.223 -0.207 0.000 2.191 117 L HA -0.166 4.192 4.340 0.029 0.000 0.212 117 L C 2.252 179.059 176.870 -0.104 0.000 1.103 117 L CA 1.334 56.085 54.840 -0.148 0.000 0.769 117 L CB -0.479 41.474 42.059 -0.177 0.000 0.908 117 L HN 0.694 nan 8.230 nan 0.000 0.438 118 S N -3.061 112.582 115.700 -0.094 0.000 2.593 118 S HA 0.004 4.491 4.470 0.029 0.000 0.217 118 S C 1.462 176.136 174.600 0.123 0.000 0.966 118 S CA 0.087 58.282 58.200 -0.009 0.000 0.914 118 S CB -0.589 62.605 63.200 -0.010 0.000 0.776 118 S HN 0.564 nan 8.310 nan 0.000 0.523 119 H N -0.137 118.843 119.070 -0.150 0.000 2.705 119 H HA 0.357 4.930 4.556 0.028 0.000 0.269 119 H C 1.560 176.861 175.328 -0.045 0.000 0.998 119 H CA 0.133 56.109 56.048 -0.120 0.000 1.193 119 H CB 0.854 30.524 29.762 -0.154 0.000 1.485 119 H HN 0.602 nan 8.280 nan 0.000 0.521 120 G N 0.468 109.308 108.800 0.066 0.000 3.254 120 G HA2 -0.158 3.819 3.960 0.029 0.000 0.219 120 G HA3 -0.158 3.819 3.960 0.029 0.000 0.219 120 G C 0.710 175.641 174.900 0.051 0.000 0.964 120 G CA -0.303 44.834 45.100 0.063 0.000 0.823 120 G HN 0.479 nan 8.290 nan 0.000 0.579 121 G N 0.026 108.837 108.800 0.019 0.000 2.554 121 G HA2 0.431 4.408 3.960 0.029 0.000 0.238 121 G HA3 0.431 4.408 3.960 0.029 0.000 0.238 121 G C -0.165 174.755 174.900 0.033 0.000 1.259 121 G CA 0.158 45.311 45.100 0.088 0.000 0.843 121 G HN 0.433 nan 8.290 nan 0.000 0.582 122 H N 1.201 120.169 119.070 -0.170 0.000 2.488 122 H HA 0.141 4.714 4.556 0.029 0.000 0.347 122 H C 1.408 176.492 175.328 -0.407 0.000 1.174 122 H CA -0.831 54.967 56.048 -0.417 0.000 1.307 122 H CB 1.661 31.029 29.762 -0.658 0.000 1.517 122 H HN 0.320 nan 8.280 nan 0.000 0.554 123 L N 2.699 123.250 121.223 -1.120 0.000 2.043 123 L HA -0.218 4.139 4.340 0.029 0.000 0.212 123 L C 2.396 178.951 176.870 -0.524 0.000 1.075 123 L CA 2.501 56.896 54.840 -0.741 0.000 0.752 123 L CB -0.635 40.994 42.059 -0.717 0.000 0.891 123 L HN 0.852 nan 8.230 nan 0.000 0.432 124 T N -4.699 109.616 114.554 -0.397 0.000 3.163 124 T HA -0.093 4.274 4.350 0.029 0.000 0.260 124 T C 0.838 175.504 174.700 -0.056 0.000 1.156 124 T CA 0.778 62.808 62.100 -0.116 0.000 1.072 124 T CB -0.980 68.027 68.868 0.232 0.000 0.937 124 T HN 0.614 nan 8.240 nan 0.000 0.528 125 H N 0.538 119.470 119.070 -0.229 0.000 2.577 125 H HA 0.504 5.077 4.556 0.029 0.000 0.306 125 H C 1.391 176.141 175.328 -0.963 0.000 1.109 125 H CA -0.471 55.378 56.048 -0.331 0.000 1.063 125 H CB 0.034 29.763 29.762 -0.055 0.000 1.535 125 H HN 0.486 nan 8.280 nan 0.000 0.532 126 G N 0.862 108.887 108.800 -1.293 0.000 2.143 126 G HA2 -0.288 3.689 3.960 0.029 0.000 0.175 126 G HA3 -0.288 3.689 3.960 0.029 0.000 0.175 126 G C 0.228 174.781 174.900 -0.578 0.000 1.004 126 G CA 0.005 44.245 45.100 -1.433 0.000 0.671 126 G HN 0.415 nan 8.290 nan 0.000 0.512 127 S N 1.276 116.704 115.700 -0.454 0.000 2.546 127 S HA 0.399 4.886 4.470 0.029 0.000 0.290 127 S C 0.118 174.587 174.600 -0.217 0.000 1.290 127 S CA -0.038 57.991 58.200 -0.286 0.000 1.069 127 S CB 1.073 64.115 63.200 -0.264 0.000 0.846 127 S HN 0.207 nan 8.310 nan 0.000 0.495 128 P HA -0.024 nan 4.420 nan 0.000 0.230 128 P C 0.940 178.205 177.300 -0.059 0.000 1.158 128 P CA 0.751 63.800 63.100 -0.086 0.000 0.769 128 P CB -0.272 31.394 31.700 -0.057 0.000 0.807 129 V N -4.391 115.485 119.914 -0.063 0.000 3.483 129 V HA 0.300 4.438 4.120 0.029 0.000 0.301 129 V C 0.638 176.718 176.094 -0.024 0.000 1.389 129 V CA -0.484 61.800 62.300 -0.028 0.000 1.101 129 V CB -0.901 30.919 31.823 -0.006 0.000 0.971 129 V HN 0.011 nan 8.190 nan 0.000 0.434 130 N N 0.586 119.243 118.700 -0.072 0.000 2.384 130 N HA 0.263 5.020 4.740 0.029 0.000 0.301 130 N C 0.962 176.439 175.510 -0.056 0.000 1.133 130 N CA -0.197 52.818 53.050 -0.057 0.000 0.853 130 N CB 2.252 40.625 38.487 -0.189 0.000 1.241 130 N HN 0.191 nan 8.380 nan 0.000 0.502 131 F N 2.319 122.281 119.950 0.019 0.000 2.147 131 F HA -0.212 4.332 4.527 0.029 0.000 0.301 131 F C 2.290 178.134 175.800 0.074 0.000 1.084 131 F CA 1.602 59.631 58.000 0.048 0.000 1.268 131 F CB -1.056 37.997 39.000 0.089 0.000 1.009 131 F HN 0.448 nan 8.300 nan 0.000 0.486 132 S N 0.447 115.565 115.700 -0.969 0.000 2.359 132 S HA -0.083 4.404 4.470 0.029 0.000 0.224 132 S C 2.272 176.741 174.600 -0.218 0.000 1.035 132 S CA 1.060 58.902 58.200 -0.597 0.000 1.018 132 S CB -1.683 61.014 63.200 -0.838 0.000 0.876 132 S HN 0.583 nan 8.310 nan 0.000 0.448 133 G N 0.273 108.888 108.800 -0.308 0.000 2.623 133 G HA2 0.135 4.112 3.960 0.029 0.000 0.214 133 G HA3 0.135 4.112 3.960 0.029 0.000 0.214 133 G C 1.288 176.160 174.900 -0.046 0.000 1.138 133 G CA 0.611 45.626 45.100 -0.141 0.000 0.794 133 G HN 0.479 nan 8.290 nan 0.000 0.535 134 V N 0.014 119.897 119.914 -0.053 0.000 2.599 134 V HA -0.053 4.084 4.120 0.029 0.000 0.245 134 V C 2.532 178.603 176.094 -0.038 0.000 1.046 134 V CA 1.870 64.161 62.300 -0.015 0.000 1.065 134 V CB 0.391 32.228 31.823 0.023 0.000 0.703 134 V HN 0.422 nan 8.190 nan 0.000 0.464 135 Q N -0.649 119.079 119.800 -0.119 0.000 2.250 135 Q HA 0.048 4.405 4.340 0.029 0.000 0.200 135 Q C -0.073 175.532 176.000 -0.658 0.000 0.941 135 Q CA 1.073 56.669 55.803 -0.344 0.000 0.872 135 Q CB 0.188 28.626 28.738 -0.500 0.000 0.965 135 Q HN 0.637 nan 8.270 nan 0.000 0.480 136 Y N -0.735 119.564 120.300 -0.002 0.000 2.570 136 Y HA 0.401 4.968 4.550 0.028 0.000 0.345 136 Y C -0.589 175.292 175.900 -0.031 0.000 1.014 136 Y CA -1.848 56.209 58.100 -0.073 0.000 1.063 136 Y CB 0.885 39.280 38.460 -0.109 0.000 1.272 136 Y HN -0.153 nan 8.280 nan 0.000 0.477 137 N N 1.383 120.102 118.700 0.031 0.000 2.555 137 N HA 0.216 4.973 4.740 0.029 0.000 0.244 137 N C -1.761 173.703 175.510 -0.078 0.000 1.114 137 N CA -0.066 52.973 53.050 -0.019 0.000 0.963 137 N CB -0.290 38.161 38.487 -0.061 0.000 1.276 137 N HN 0.412 nan 8.380 nan 0.000 0.510 138 F N 2.694 122.576 119.950 -0.112 0.000 2.420 138 F HA 0.235 4.779 4.527 0.029 0.000 0.352 138 F C 0.709 176.404 175.800 -0.175 0.000 1.108 138 F CA -0.472 57.443 58.000 -0.143 0.000 1.162 138 F CB 0.769 39.681 39.000 -0.146 0.000 1.118 138 F HN 0.125 nan 8.300 nan 0.000 0.510 139 V N 1.001 120.854 119.914 -0.102 0.000 2.994 139 V HA 0.980 5.118 4.120 0.029 0.000 0.318 139 V C -0.458 175.577 176.094 -0.098 0.000 1.085 139 V CA -1.097 61.084 62.300 -0.198 0.000 0.998 139 V CB 1.402 32.917 31.823 -0.512 0.000 1.063 139 V HN 0.861 nan 8.190 nan 0.000 0.447 140 A N 1.973 124.719 122.820 -0.123 0.000 2.401 140 A HA 0.907 5.244 4.320 0.029 0.000 0.310 140 A C -0.984 176.544 177.584 -0.093 0.000 1.075 140 A CA -0.734 51.203 52.037 -0.168 0.000 0.746 140 A CB 1.439 20.301 19.000 -0.230 0.000 1.277 140 A HN 1.493 nan 8.150 nan 0.000 0.425 141 Y N 0.035 120.311 120.300 -0.040 0.000 2.453 141 Y HA 0.834 5.401 4.550 0.028 0.000 0.326 141 Y C 0.479 176.328 175.900 -0.085 0.000 1.186 141 Y CA -0.877 57.198 58.100 -0.041 0.000 1.200 141 Y CB 0.898 39.347 38.460 -0.019 0.000 1.247 141 Y HN 0.786 nan 8.280 nan 0.000 0.482 142 G N 0.290 109.191 108.800 0.168 0.000 2.685 142 G HA2 0.593 4.571 3.960 0.029 0.000 0.298 142 G HA3 0.593 4.571 3.960 0.029 0.000 0.298 142 G C -1.049 174.035 174.900 0.307 0.000 1.277 142 G CA -0.714 44.495 45.100 0.182 0.000 0.986 142 G HN 1.086 nan 8.290 nan 0.000 0.487 143 V N -1.882 118.297 119.914 0.441 0.000 2.837 143 V HA 0.509 4.647 4.120 0.029 0.000 0.310 143 V C 0.189 176.482 176.094 0.331 0.000 1.059 143 V CA -1.148 61.321 62.300 0.282 0.000 1.004 143 V CB 1.766 33.740 31.823 0.251 0.000 1.045 143 V HN 0.701 nan 8.190 nan 0.000 0.465 144 D N 3.748 124.279 120.400 0.217 0.000 2.455 144 D HA 0.109 4.766 4.640 0.029 0.000 0.241 144 D C -1.484 174.893 176.300 0.128 0.000 1.138 144 D CA -1.029 53.057 54.000 0.143 0.000 0.877 144 D CB 1.992 42.829 40.800 0.061 0.000 1.187 144 D HN 0.504 nan 8.370 nan 0.000 0.451 145 P HA -0.108 nan 4.420 nan 0.000 0.220 145 P C 0.719 177.900 177.300 -0.198 0.000 1.148 145 P CA 1.058 64.012 63.100 -0.243 0.000 0.803 145 P CB 0.555 31.928 31.700 -0.544 0.000 0.782 146 E N -0.457 119.609 120.200 -0.223 0.000 2.079 146 E HA -0.056 4.311 4.350 0.029 0.000 0.191 146 E C 2.100 178.406 176.600 -0.490 0.000 0.961 146 E CA 1.677 57.906 56.400 -0.286 0.000 0.823 146 E CB -0.689 28.918 29.700 -0.156 0.000 0.789 146 E HN 0.264 nan 8.360 nan 0.000 0.459 147 T N -3.126 111.237 114.554 -0.319 0.000 3.057 147 T HA -0.003 4.364 4.350 0.029 0.000 0.254 147 T C 0.166 174.776 174.700 -0.150 0.000 1.094 147 T CA 0.760 62.733 62.100 -0.212 0.000 1.088 147 T CB -0.347 68.491 68.868 -0.049 0.000 0.934 147 T HN 0.361 nan 8.240 nan 0.000 0.497 148 H N -0.764 118.364 119.070 0.097 0.000 3.047 148 H HA -0.105 4.469 4.556 0.029 0.000 0.263 148 H C -0.431 175.036 175.328 0.231 0.000 1.168 148 H CA 0.184 56.312 56.048 0.133 0.000 1.152 148 H CB -2.416 27.401 29.762 0.091 0.000 1.278 148 H HN 0.349 nan 8.280 nan 0.000 0.339 149 V N 1.481 121.561 119.914 0.277 0.000 2.509 149 V HA 0.143 4.281 4.120 0.029 0.000 0.284 149 V C 1.326 177.569 176.094 0.249 0.000 1.047 149 V CA -0.521 61.988 62.300 0.348 0.000 0.952 149 V CB 1.387 33.354 31.823 0.239 0.000 0.988 149 V HN 0.205 nan 8.190 nan 0.000 0.469 150 I N 3.611 124.284 120.570 0.171 0.000 2.996 150 I HA -0.089 4.099 4.170 0.029 0.000 0.310 150 I C 0.717 176.699 176.117 -0.226 0.000 1.225 150 I CA 0.649 61.848 61.300 -0.169 0.000 1.442 150 I CB 0.033 37.705 38.000 -0.546 0.000 1.334 150 I HN 0.642 nan 8.210 nan 0.000 0.550 151 D N 7.005 127.323 120.400 -0.137 0.000 2.422 151 D HA 0.041 4.699 4.640 0.029 0.000 0.227 151 D C 0.562 176.729 176.300 -0.220 0.000 1.190 151 D CA -0.040 53.918 54.000 -0.070 0.000 0.905 151 D CB 0.433 41.256 40.800 0.038 0.000 1.034 151 D HN 0.336 nan 8.370 nan 0.000 0.507 152 Y N 1.511 121.728 120.300 -0.139 0.000 2.421 152 Y HA -0.096 4.471 4.550 0.028 0.000 0.292 152 Y C 1.976 177.759 175.900 -0.194 0.000 1.136 152 Y CA 0.570 58.511 58.100 -0.265 0.000 1.255 152 Y CB 0.246 38.536 38.460 -0.284 0.000 0.991 152 Y HN 0.385 nan 8.280 nan 0.000 0.552 153 D N -0.196 120.212 120.400 0.014 0.000 2.183 153 D HA -0.162 4.495 4.640 0.029 0.000 0.203 153 D C 1.554 177.846 176.300 -0.013 0.000 0.969 153 D CA 1.367 55.366 54.000 -0.002 0.000 0.842 153 D CB -0.177 40.630 40.800 0.012 0.000 0.957 153 D HN 0.405 nan 8.370 nan 0.000 0.484 154 D N 0.369 120.760 120.400 -0.015 0.000 2.123 154 D HA -0.112 4.546 4.640 0.029 0.000 0.200 154 D C 2.127 178.427 176.300 -0.000 0.000 0.976 154 D CA 0.524 54.534 54.000 0.017 0.000 0.831 154 D CB 0.162 40.998 40.800 0.061 0.000 0.974 154 D HN -0.099 nan 8.370 nan 0.000 0.469 155 V N 0.578 120.414 119.914 -0.129 0.000 2.287 155 V HA -0.238 3.899 4.120 0.029 0.000 0.248 155 V C 2.642 178.674 176.094 -0.104 0.000 1.053 155 V CA 2.064 64.225 62.300 -0.233 0.000 1.027 155 V CB -0.630 30.783 31.823 -0.683 0.000 0.646 155 V HN 0.224 nan 8.190 nan 0.000 0.447 156 R N -0.102 120.341 120.500 -0.094 0.000 2.075 156 R HA -0.199 4.158 4.340 0.029 0.000 0.232 156 R C 2.440 178.736 176.300 -0.007 0.000 1.126 156 R CA 1.932 58.005 56.100 -0.045 0.000 0.963 156 R CB -0.228 30.046 30.300 -0.043 0.000 0.858 156 R HN 0.691 nan 8.270 nan 0.000 0.435 157 E N 0.212 120.414 120.200 0.003 0.000 2.072 157 E HA -0.181 4.186 4.350 0.029 0.000 0.191 157 E C 1.558 178.180 176.600 0.037 0.000 0.985 157 E CA 0.999 57.407 56.400 0.013 0.000 0.801 157 E CB 0.212 29.922 29.700 0.016 0.000 0.750 157 E HN 0.136 nan 8.360 nan 0.000 0.452 158 K N 0.268 120.722 120.400 0.091 0.000 2.097 158 K HA -0.108 4.229 4.320 0.029 0.000 0.206 158 K C 2.064 178.782 176.600 0.198 0.000 1.049 158 K CA 1.067 57.478 56.287 0.206 0.000 0.933 158 K CB -0.358 32.281 32.500 0.232 0.000 0.717 158 K HN 0.185 nan 8.250 nan 0.000 0.442 159 A N 1.529 124.416 122.820 0.113 0.000 1.898 159 A HA -0.147 4.190 4.320 0.029 0.000 0.216 159 A C 2.216 179.830 177.584 0.050 0.000 1.181 159 A CA 1.243 53.332 52.037 0.086 0.000 0.620 159 A CB -0.325 18.710 19.000 0.059 0.000 0.819 159 A HN 0.242 nan 8.150 nan 0.000 0.442 160 R N -1.307 119.205 120.500 0.021 0.000 2.115 160 R HA -0.002 4.356 4.340 0.029 0.000 0.226 160 R C 2.074 178.352 176.300 -0.037 0.000 1.100 160 R CA 1.195 57.291 56.100 -0.006 0.000 0.980 160 R CB -0.373 29.919 30.300 -0.012 0.000 0.875 160 R HN 0.497 nan 8.270 nan 0.000 0.445 161 L N -0.022 121.154 121.223 -0.078 0.000 2.049 161 L HA -0.092 4.266 4.340 0.029 0.000 0.203 161 L C 1.781 178.500 176.870 -0.251 0.000 1.074 161 L CA 1.873 56.587 54.840 -0.209 0.000 0.749 161 L CB -0.302 41.546 42.059 -0.351 0.000 0.907 161 L HN 0.181 nan 8.230 nan 0.000 0.439 162 H N 0.146 119.216 119.070 -0.001 0.000 2.563 162 H HA 0.231 4.804 4.556 0.029 0.000 0.264 162 H C -0.025 175.293 175.328 -0.016 0.000 0.957 162 H CA 0.099 56.141 56.048 -0.009 0.000 1.173 162 H CB 0.220 29.976 29.762 -0.011 0.000 1.420 162 H HN 0.167 nan 8.280 nan 0.000 0.551 163 R N 0.674 121.221 120.500 0.077 0.000 3.059 163 R HA -0.104 4.253 4.340 0.029 0.000 0.251 163 R C -2.642 173.676 176.300 0.029 0.000 0.886 163 R CA -0.008 56.114 56.100 0.038 0.000 0.634 163 R CB -2.271 28.038 30.300 0.016 0.000 1.282 163 R HN 0.438 nan 8.270 nan 0.000 0.487 164 P HA 0.103 nan 4.420 nan 0.000 0.274 164 P C 0.576 177.867 177.300 -0.014 0.000 1.231 164 P CA -0.331 62.756 63.100 -0.022 0.000 0.790 164 P CB 0.920 32.599 31.700 -0.034 0.000 0.951 165 K N 0.715 121.094 120.400 -0.035 0.000 2.228 165 K HA 0.016 4.353 4.320 0.029 0.000 0.202 165 K C 0.346 176.989 176.600 0.072 0.000 1.051 165 K CA 0.551 56.848 56.287 0.017 0.000 0.960 165 K CB -0.003 32.500 32.500 0.005 0.000 0.743 165 K HN 0.323 nan 8.250 nan 0.000 0.458 166 L N 0.853 122.068 121.223 -0.013 0.000 2.431 166 L HA 0.455 4.812 4.340 0.029 0.000 0.266 166 L C -1.536 175.338 176.870 0.006 0.000 0.978 166 L CA -0.588 54.269 54.840 0.028 0.000 0.822 166 L CB 1.895 43.915 42.059 -0.064 0.000 1.310 166 L HN -0.092 nan 8.230 nan 0.000 0.409 167 I N 5.020 125.654 120.570 0.108 0.000 2.404 167 I HA 0.477 4.664 4.170 0.029 0.000 0.293 167 I C -0.766 175.435 176.117 0.140 0.000 0.992 167 I CA -0.958 60.431 61.300 0.148 0.000 1.149 167 I CB 1.926 40.065 38.000 0.231 0.000 1.315 167 I HN 0.260 nan 8.210 nan 0.000 0.446 168 V N 5.781 125.770 119.914 0.125 0.000 2.370 168 V HA 0.662 4.799 4.120 0.029 0.000 0.283 168 V C 0.303 176.371 176.094 -0.044 0.000 1.023 168 V CA -0.428 61.888 62.300 0.027 0.000 0.857 168 V CB 1.347 33.167 31.823 -0.006 0.000 0.985 168 V HN 0.837 nan 8.190 nan 0.000 0.443 169 A N 4.246 126.918 122.820 -0.247 0.000 2.340 169 A HA 1.050 5.387 4.320 0.029 0.000 0.331 169 A C 0.078 177.552 177.584 -0.183 0.000 1.140 169 A CA 0.092 51.827 52.037 -0.503 0.000 0.801 169 A CB 1.482 19.782 19.000 -1.167 0.000 1.234 169 A HN 2.445 nan 8.150 nan 0.000 0.469 170 A N -0.749 122.037 122.820 -0.057 0.000 2.435 170 A HA 0.567 4.904 4.320 0.029 0.000 0.686 170 A C -0.315 177.367 177.584 0.164 0.000 0.140 170 A CA -0.030 52.072 52.037 0.108 0.000 0.030 170 A CB -1.433 17.640 19.000 0.122 0.000 3.972 170 A HN 2.939 nan 8.150 nan 0.000 0.548 171 A N -1.121 121.836 122.820 0.228 0.000 2.609 171 A HA 1.049 5.386 4.320 0.029 0.000 0.291 171 A C 0.541 178.210 177.584 0.140 0.000 1.096 171 A CA 0.417 52.582 52.037 0.213 0.000 0.684 171 A CB 0.635 19.743 19.000 0.179 0.000 1.282 171 A HN 2.627 nan 8.150 nan 0.000 0.412 172 A N -0.365 122.498 122.820 0.071 0.000 2.147 172 A HA 0.588 4.925 4.320 0.029 0.000 0.211 172 A C 1.000 178.385 177.584 -0.331 0.000 1.160 172 A CA 1.344 53.331 52.037 -0.083 0.000 0.781 172 A CB 0.025 19.115 19.000 0.149 0.000 0.842 172 A HN 2.299 nan 8.150 nan 0.000 0.475 173 A N -0.962 121.782 122.820 -0.127 0.000 3.474 173 A HA 0.505 4.843 4.320 0.029 0.000 0.251 173 A C -1.063 176.550 177.584 0.049 0.000 1.062 173 A CA -0.202 51.773 52.037 -0.104 0.000 0.945 173 A CB -0.117 18.842 19.000 -0.069 0.000 1.296 173 A HN 0.391 nan 8.150 nan 0.000 0.592 174 Y N 2.273 122.522 120.300 -0.085 0.000 2.338 174 Y HA 0.554 5.121 4.550 0.028 0.000 0.328 174 Y C -2.281 173.615 175.900 -0.007 0.000 0.965 174 Y CA -2.283 55.812 58.100 -0.008 0.000 1.208 174 Y CB 2.341 40.839 38.460 0.062 0.000 1.132 174 Y HN 0.306 nan 8.280 nan 0.000 0.469 175 P HA 0.084 nan 4.420 nan 0.000 0.249 175 P C -0.197 176.885 177.300 -0.363 0.000 1.229 175 P CA 0.653 63.569 63.100 -0.307 0.000 0.788 175 P CB 0.526 32.097 31.700 -0.213 0.000 1.072 176 R N -0.157 119.905 120.500 -0.731 0.000 2.873 176 R HA 0.488 4.845 4.340 0.029 0.000 0.264 176 R C 0.445 176.658 176.300 -0.144 0.000 1.026 176 R CA -1.496 54.340 56.100 -0.439 0.000 1.002 176 R CB 0.652 30.703 30.300 -0.414 0.000 1.174 176 R HN 0.003 nan 8.270 nan 0.000 0.488 177 I N 2.097 122.666 120.570 -0.001 0.000 2.710 177 I HA 0.009 4.196 4.170 0.029 0.000 0.286 177 I C 0.516 176.736 176.117 0.171 0.000 1.181 177 I CA 0.441 61.758 61.300 0.029 0.000 1.430 177 I CB 0.290 38.151 38.000 -0.232 0.000 1.367 177 I HN 0.236 nan 8.210 nan 0.000 0.577 178 I N 5.554 126.226 120.570 0.169 0.000 2.353 178 I HA 0.104 4.292 4.170 0.029 0.000 0.293 178 I C 0.246 176.122 176.117 -0.401 0.000 0.992 178 I CA -0.318 61.002 61.300 0.034 0.000 1.268 178 I CB 0.891 38.854 38.000 -0.062 0.000 1.387 178 I HN 0.482 nan 8.210 nan 0.000 0.478 179 D N 6.438 126.790 120.400 -0.081 0.000 2.453 179 D HA 0.128 4.785 4.640 0.029 0.000 0.223 179 D C 0.734 176.980 176.300 -0.090 0.000 1.183 179 D CA 0.034 53.878 54.000 -0.260 0.000 0.933 179 D CB 0.357 40.865 40.800 -0.487 0.000 1.038 179 D HN 0.359 nan 8.370 nan 0.000 0.513 180 F N 1.730 121.687 119.950 0.012 0.000 2.325 180 F HA -0.071 4.473 4.527 0.029 0.000 0.299 180 F C 2.479 178.085 175.800 -0.323 0.000 1.090 180 F CA 0.403 58.384 58.000 -0.032 0.000 1.392 180 F CB 0.002 38.981 39.000 -0.035 0.000 1.053 180 F HN 0.426 nan 8.300 nan 0.000 0.521 181 A N 0.627 123.098 122.820 -0.582 0.000 1.902 181 A HA -0.190 4.147 4.320 0.029 0.000 0.217 181 A C 2.194 179.680 177.584 -0.163 0.000 1.181 181 A CA 1.534 53.241 52.037 -0.549 0.000 0.623 181 A CB -0.509 18.206 19.000 -0.474 0.000 0.818 181 A HN 0.288 nan 8.150 nan 0.000 0.443 182 K N -1.565 118.717 120.400 -0.198 0.000 2.097 182 K HA -0.052 4.285 4.320 0.029 0.000 0.205 182 K C 1.653 178.201 176.600 -0.086 0.000 1.050 182 K CA 1.337 57.500 56.287 -0.207 0.000 0.938 182 K CB -0.314 31.887 32.500 -0.499 0.000 0.718 182 K HN 0.451 nan 8.250 nan 0.000 0.442 183 F N 1.205 121.177 119.950 0.036 0.000 2.134 183 F HA -0.194 4.351 4.527 0.030 0.000 0.299 183 F C 2.599 178.448 175.800 0.082 0.000 1.097 183 F CA 1.327 59.379 58.000 0.087 0.000 1.264 183 F CB -0.163 38.931 39.000 0.156 0.000 1.001 183 F HN -0.067 nan 8.300 nan 0.000 0.479 184 R N 0.852 121.512 120.500 0.267 0.000 2.075 184 R HA -0.148 4.210 4.340 0.029 0.000 0.232 184 R C 2.056 178.437 176.300 0.135 0.000 1.126 184 R CA 1.759 57.983 56.100 0.206 0.000 0.963 184 R CB -0.768 29.674 30.300 0.237 0.000 0.858 184 R HN 0.406 nan 8.270 nan 0.000 0.435 185 E N -0.133 120.118 120.200 0.085 0.000 2.058 185 E HA -0.197 4.170 4.350 0.029 0.000 0.194 185 E C 1.864 178.483 176.600 0.033 0.000 0.997 185 E CA 1.821 58.246 56.400 0.043 0.000 0.801 185 E CB -0.160 29.539 29.700 -0.002 0.000 0.746 185 E HN 0.436 nan 8.360 nan 0.000 0.450 186 I N 0.793 121.376 120.570 0.022 0.000 2.252 186 I HA -0.243 3.945 4.170 0.029 0.000 0.245 186 I C 2.594 178.743 176.117 0.054 0.000 1.102 186 I CA 0.922 62.230 61.300 0.014 0.000 1.385 186 I CB -0.345 37.634 38.000 -0.035 0.000 1.064 186 I HN 0.183 nan 8.210 nan 0.000 0.414 187 A N 0.651 123.534 122.820 0.105 0.000 1.908 187 A HA -0.265 4.072 4.320 0.029 0.000 0.218 187 A C 1.938 179.573 177.584 0.085 0.000 1.181 187 A CA 2.267 54.379 52.037 0.125 0.000 0.627 187 A CB -0.650 18.471 19.000 0.201 0.000 0.818 187 A HN 0.347 nan 8.150 nan 0.000 0.445 188 D N -0.864 119.587 120.400 0.084 0.000 2.178 188 D HA -0.127 4.531 4.640 0.029 0.000 0.201 188 D C 1.871 178.189 176.300 0.029 0.000 0.980 188 D CA 1.340 55.374 54.000 0.057 0.000 0.842 188 D CB -0.307 40.529 40.800 0.060 0.000 0.948 188 D HN 0.745 nan 8.370 nan 0.000 0.472 189 E N 0.343 120.559 120.200 0.026 0.000 2.072 189 E HA -0.134 4.234 4.350 0.029 0.000 0.191 189 E C 1.756 178.361 176.600 0.008 0.000 0.985 189 E CA 1.125 57.533 56.400 0.013 0.000 0.801 189 E CB 0.307 30.011 29.700 0.007 0.000 0.750 189 E HN 0.225 nan 8.360 nan 0.000 0.452 190 V N -3.241 116.680 119.914 0.013 0.000 3.621 190 V HA 0.416 4.553 4.120 0.029 0.000 0.285 190 V C 1.030 177.121 176.094 -0.005 0.000 1.346 190 V CA 0.396 62.700 62.300 0.007 0.000 1.104 190 V CB 0.037 31.870 31.823 0.017 0.000 0.913 190 V HN 0.282 nan 8.190 nan 0.000 0.432 191 G N 0.314 109.106 108.800 -0.014 0.000 2.272 191 G HA2 0.034 4.012 3.960 0.029 0.000 0.280 191 G HA3 0.034 4.012 3.960 0.029 0.000 0.280 191 G C 0.147 174.990 174.900 -0.095 0.000 1.067 191 G CA 0.380 45.448 45.100 -0.053 0.000 0.902 191 G HN 1.670 nan 8.290 nan 0.000 0.500 192 A N -0.586 122.201 122.820 -0.056 0.000 2.340 192 A HA 0.836 5.173 4.320 0.029 0.000 0.331 192 A C -0.039 177.506 177.584 -0.064 0.000 1.140 192 A CA -0.848 51.164 52.037 -0.042 0.000 0.801 192 A CB 0.946 19.973 19.000 0.045 0.000 1.234 192 A HN 0.567 nan 8.150 nan 0.000 0.469 193 Y N 0.134 120.419 120.300 -0.026 0.000 2.457 193 Y HA 0.336 4.903 4.550 0.029 0.000 0.341 193 Y C 0.309 176.329 175.900 0.199 0.000 1.240 193 Y CA 0.461 58.529 58.100 -0.053 0.000 1.437 193 Y CB 0.684 39.112 38.460 -0.054 0.000 1.328 193 Y HN 0.546 nan 8.280 nan 0.000 0.588 194 L N 5.131 126.728 121.223 0.623 0.000 2.305 194 L HA 0.488 4.845 4.340 0.029 0.000 0.284 194 L C -0.794 176.277 176.870 0.336 0.000 1.013 194 L CA -0.744 54.331 54.840 0.391 0.000 0.819 194 L CB 1.023 43.262 42.059 0.300 0.000 1.227 194 L HN 0.721 nan 8.230 nan 0.000 0.417 195 M N 5.771 125.509 119.600 0.231 0.000 2.205 195 M HA 0.593 5.090 4.480 0.029 0.000 0.344 195 M C -1.666 174.648 176.300 0.023 0.000 1.085 195 M CA -0.611 54.788 55.300 0.165 0.000 1.001 195 M CB 1.487 34.174 32.600 0.144 0.000 1.626 195 M HN 0.407 nan 8.290 nan 0.000 0.442 196 V N 4.346 124.234 119.914 -0.044 0.000 2.384 196 V HA 0.269 4.406 4.120 0.029 0.000 0.287 196 V C -0.598 175.431 176.094 -0.108 0.000 1.020 196 V CA -0.598 61.617 62.300 -0.141 0.000 0.850 196 V CB 1.535 33.140 31.823 -0.364 0.000 0.987 196 V HN 0.764 nan 8.190 nan 0.000 0.436 197 D N 5.711 126.075 120.400 -0.061 0.000 2.479 197 D HA 0.238 4.895 4.640 0.029 0.000 0.218 197 D C 0.822 177.125 176.300 0.004 0.000 1.131 197 D CA -0.461 53.537 54.000 -0.004 0.000 0.916 197 D CB 1.120 42.000 40.800 0.133 0.000 1.022 197 D HN 0.615 nan 8.370 nan 0.000 0.515 198 M N 1.595 121.150 119.600 -0.074 0.000 2.505 198 M HA 0.330 4.827 4.480 0.029 0.000 0.230 198 M C 1.444 177.708 176.300 -0.059 0.000 1.153 198 M CA -0.289 54.971 55.300 -0.067 0.000 0.997 198 M CB 0.553 33.057 32.600 -0.159 0.000 1.606 198 M HN 0.132 nan 8.290 nan 0.000 0.481 199 A N 1.414 124.198 122.820 -0.060 0.000 1.909 199 A HA -0.261 4.076 4.320 0.029 0.000 0.221 199 A C 2.101 179.599 177.584 -0.143 0.000 1.223 199 A CA 2.313 54.273 52.037 -0.129 0.000 0.658 199 A CB -1.442 17.462 19.000 -0.159 0.000 0.831 199 A HN 0.764 nan 8.150 nan 0.000 0.462 200 H N -0.565 118.462 119.070 -0.071 0.000 2.357 200 H HA -0.028 4.546 4.556 0.031 0.000 0.301 200 H C 1.956 177.145 175.328 -0.231 0.000 1.082 200 H CA 1.795 57.802 56.048 -0.068 0.000 1.342 200 H CB -0.058 29.797 29.762 0.155 0.000 1.389 200 H HN 0.732 nan 8.280 nan 0.000 0.511 201 I N -2.344 118.222 120.570 -0.007 0.000 3.956 201 I HA 0.329 4.517 4.170 0.029 0.000 0.333 201 I C 2.256 178.367 176.117 -0.011 0.000 1.302 201 I CA 0.244 61.505 61.300 -0.065 0.000 1.122 201 I CB 0.122 38.044 38.000 -0.130 0.000 1.013 201 I HN -0.084 nan 8.210 nan 0.000 0.405 202 A N 2.289 125.108 122.820 -0.002 0.000 1.917 202 A HA -0.105 4.232 4.320 0.029 0.000 0.219 202 A C 2.367 180.144 177.584 0.321 0.000 1.182 202 A CA 2.121 54.221 52.037 0.104 0.000 0.633 202 A CB -1.485 17.521 19.000 0.011 0.000 0.819 202 A HN 0.541 nan 8.150 nan 0.000 0.448 203 G N -0.295 108.661 108.800 0.260 0.000 2.422 203 G HA2 -0.135 3.842 3.960 0.029 0.000 0.218 203 G HA3 -0.135 3.842 3.960 0.029 0.000 0.218 203 G C 1.521 176.612 174.900 0.319 0.000 1.146 203 G CA 1.044 46.397 45.100 0.421 0.000 0.769 203 G HN 0.468 nan 8.290 nan 0.000 0.547 204 L N 0.223 121.549 121.223 0.172 0.000 2.109 204 L HA -0.027 4.330 4.340 0.029 0.000 0.207 204 L C 2.923 179.929 176.870 0.227 0.000 1.086 204 L CA 0.228 55.158 54.840 0.150 0.000 0.760 204 L CB -0.651 41.490 42.059 0.137 0.000 0.910 204 L HN 0.053 nan 8.230 nan 0.000 0.437 205 V N 0.659 120.741 119.914 0.280 0.000 2.295 205 V HA -0.305 3.833 4.120 0.029 0.000 0.246 205 V C 2.854 179.121 176.094 0.287 0.000 1.049 205 V CA 1.955 64.460 62.300 0.342 0.000 1.024 205 V CB -0.908 31.147 31.823 0.386 0.000 0.648 205 V HN 0.486 nan 8.190 nan 0.000 0.447 206 A N -0.255 122.721 122.820 0.261 0.000 1.972 206 A HA -0.054 4.283 4.320 0.029 0.000 0.219 206 A C 2.194 179.817 177.584 0.066 0.000 1.169 206 A CA 1.957 53.957 52.037 -0.063 0.000 0.635 206 A CB -0.530 18.340 19.000 -0.217 0.000 0.810 206 A HN 0.619 nan 8.150 nan 0.000 0.446 207 A N -2.032 120.893 122.820 0.175 0.000 2.275 207 A HA 0.437 4.774 4.320 0.029 0.000 0.212 207 A C 1.667 179.309 177.584 0.097 0.000 1.201 207 A CA 1.086 53.207 52.037 0.141 0.000 0.843 207 A CB -0.768 18.292 19.000 0.101 0.000 0.873 207 A HN 1.878 nan 8.150 nan 0.000 0.492 208 G N -0.884 107.986 108.800 0.116 0.000 2.147 208 G HA2 -0.228 3.750 3.960 0.029 0.000 0.244 208 G HA3 -0.228 3.750 3.960 0.029 0.000 0.244 208 G C 0.502 175.466 174.900 0.107 0.000 1.005 208 G CA 0.485 45.651 45.100 0.109 0.000 0.713 208 G HN 0.541 nan 8.290 nan 0.000 0.515 209 L N -0.494 120.806 121.223 0.127 0.000 2.664 209 L HA 0.395 4.753 4.340 0.029 0.000 0.233 209 L C 0.914 177.882 176.870 0.164 0.000 1.113 209 L CA -0.207 54.698 54.840 0.108 0.000 0.896 209 L CB 0.296 42.398 42.059 0.072 0.000 1.163 209 L HN 0.383 nan 8.230 nan 0.000 0.497 210 H N 0.609 119.754 119.070 0.124 0.000 2.771 210 H HA 0.363 4.937 4.556 0.030 0.000 0.361 210 H C -2.660 172.791 175.328 0.205 0.000 1.108 210 H CA -1.919 54.223 56.048 0.157 0.000 1.201 210 H CB 2.739 32.616 29.762 0.192 0.000 1.681 210 H HN -0.256 nan 8.280 nan 0.000 0.534 211 P HA -0.094 nan 4.420 nan 0.000 0.263 211 P C -0.215 177.442 177.300 0.595 0.000 1.175 211 P CA 0.312 63.604 63.100 0.319 0.000 0.761 211 P CB 0.439 32.246 31.700 0.178 0.000 0.794 212 N N 4.533 123.493 118.700 0.433 0.000 2.430 212 N HA 0.088 4.845 4.740 0.029 0.000 0.265 212 N C -1.459 174.229 175.510 0.296 0.000 1.100 212 N CA -2.219 51.031 53.050 0.334 0.000 0.961 212 N CB 0.396 39.023 38.487 0.233 0.000 1.075 212 N HN 0.225 nan 8.380 nan 0.000 0.478 213 P HA -0.072 nan 4.420 nan 0.000 0.229 213 P C 1.331 178.560 177.300 -0.120 0.000 1.160 213 P CA 0.383 63.234 63.100 -0.415 0.000 0.777 213 P CB 0.523 31.578 31.700 -1.074 0.000 0.814 214 V N 2.838 122.710 119.914 -0.071 0.000 2.252 214 V HA -0.160 3.977 4.120 0.029 0.000 0.249 214 V C -0.019 176.020 176.094 -0.091 0.000 1.056 214 V CA 2.854 65.113 62.300 -0.068 0.000 1.022 214 V CB -2.559 29.253 31.823 -0.019 0.000 0.641 214 V HN 0.230 nan 8.190 nan 0.000 0.445 215 P HA -0.129 nan 4.420 nan 0.000 0.228 215 P C 0.869 177.933 177.300 -0.393 0.000 1.151 215 P CA 1.580 64.499 63.100 -0.302 0.000 0.770 215 P CB -0.069 31.366 31.700 -0.442 0.000 0.786 216 Y N -0.321 119.956 120.300 -0.039 0.000 2.524 216 Y HA 0.425 4.992 4.550 0.028 0.000 0.270 216 Y C 1.575 177.408 175.900 -0.111 0.000 1.094 216 Y CA -0.183 57.899 58.100 -0.029 0.000 1.276 216 Y CB -0.258 38.255 38.460 0.089 0.000 1.130 216 Y HN -0.140 nan 8.280 nan 0.000 0.536 217 A N -0.635 122.174 122.820 -0.018 0.000 2.312 217 A HA 0.398 4.736 4.320 0.029 0.000 0.326 217 A C -0.098 177.370 177.584 -0.193 0.000 1.172 217 A CA -0.442 51.544 52.037 -0.084 0.000 0.821 217 A CB 0.314 19.273 19.000 -0.068 0.000 1.166 217 A HN 0.454 nan 8.150 nan 0.000 0.493 218 H N 0.895 119.905 119.070 -0.100 0.000 2.389 218 H HA 0.088 4.661 4.556 0.028 0.000 0.299 218 H C -0.662 174.171 175.328 -0.825 0.000 1.081 218 H CA 2.113 57.907 56.048 -0.423 0.000 1.345 218 H CB -0.049 29.360 29.762 -0.588 0.000 1.393 218 H HN 0.573 nan 8.280 nan 0.000 0.520 219 F N -0.438 119.527 119.950 0.025 0.000 2.547 219 F HA 0.466 5.010 4.527 0.028 0.000 0.316 219 F C -0.869 174.885 175.800 -0.076 0.000 1.121 219 F CA -1.189 56.781 58.000 -0.050 0.000 0.911 219 F CB 1.900 40.831 39.000 -0.116 0.000 1.179 219 F HN -0.337 nan 8.300 nan 0.000 0.443 220 V N 1.892 121.841 119.914 0.058 0.000 2.444 220 V HA 0.574 4.711 4.120 0.029 0.000 0.294 220 V C -0.207 175.843 176.094 -0.073 0.000 1.022 220 V CA -0.709 61.550 62.300 -0.069 0.000 0.850 220 V CB 1.847 33.565 31.823 -0.176 0.000 0.992 220 V HN 0.885 nan 8.190 nan 0.000 0.426 221 T N 0.877 115.381 114.554 -0.084 0.000 2.945 221 T HA 0.827 5.194 4.350 0.029 0.000 0.286 221 T C -0.298 174.325 174.700 -0.129 0.000 1.025 221 T CA -0.656 61.390 62.100 -0.091 0.000 1.039 221 T CB 2.122 70.948 68.868 -0.071 0.000 1.068 221 T HN 0.718 nan 8.240 nan 0.000 0.497 222 T N 0.535 115.012 114.554 -0.129 0.000 2.830 222 T HA 0.594 4.961 4.350 0.029 0.000 0.322 222 T C -0.634 173.988 174.700 -0.130 0.000 1.501 222 T CA -0.420 61.590 62.100 -0.150 0.000 1.036 222 T CB 1.421 70.158 68.868 -0.219 0.000 1.379 222 T HN 1.179 nan 8.240 nan 0.000 0.493 223 T N 0.013 114.449 114.554 -0.196 0.000 2.918 223 T HA 0.456 4.823 4.350 0.029 0.000 0.283 223 T C 1.404 175.977 174.700 -0.213 0.000 1.001 223 T CA 0.135 62.070 62.100 -0.274 0.000 1.041 223 T CB 1.036 69.499 68.868 -0.676 0.000 1.028 223 T HN 0.750 nan 8.240 nan 0.000 0.511 224 T N -2.033 112.457 114.554 -0.106 0.000 3.060 224 T HA 0.028 4.395 4.350 0.029 0.000 0.249 224 T C 1.258 175.968 174.700 0.017 0.000 1.079 224 T CA 0.244 62.371 62.100 0.046 0.000 1.013 224 T CB -0.477 68.467 68.868 0.126 0.000 0.975 224 T HN 0.931 nan 8.240 nan 0.000 0.518 225 H N -0.318 118.745 119.070 -0.012 0.000 2.652 225 H HA 0.478 5.052 4.556 0.030 0.000 0.274 225 H C 0.797 176.091 175.328 -0.057 0.000 1.021 225 H CA -0.547 55.481 56.048 -0.034 0.000 1.187 225 H CB 0.364 30.096 29.762 -0.050 0.000 1.505 225 H HN 0.252 nan 8.280 nan 0.000 0.530 226 K N 1.166 121.449 120.400 -0.195 0.000 3.730 226 K HA 0.055 4.392 4.320 0.029 0.000 0.166 226 K C 1.978 178.543 176.600 -0.059 0.000 1.148 226 K CA 0.753 56.935 56.287 -0.175 0.000 1.638 226 K CB -0.151 32.126 32.500 -0.371 0.000 2.264 226 K HN 0.139 nan 8.250 nan 0.000 0.518 227 T N 0.362 114.858 114.554 -0.097 0.000 2.929 227 T HA -0.102 4.265 4.350 0.029 0.000 0.271 227 T C 1.783 176.648 174.700 0.275 0.000 1.085 227 T CA 0.775 62.892 62.100 0.029 0.000 1.125 227 T CB -0.115 68.679 68.868 -0.124 0.000 0.874 227 T HN 0.115 nan 8.240 nan 0.000 0.494 228 L N 1.217 122.568 121.223 0.214 0.000 2.362 228 L HA 0.304 4.662 4.340 0.029 0.000 0.219 228 L C 1.570 178.584 176.870 0.239 0.000 1.134 228 L CA 0.995 56.006 54.840 0.285 0.000 0.807 228 L CB -1.218 40.968 42.059 0.212 0.000 0.927 228 L HN 0.442 nan 8.230 nan 0.000 0.447 229 R N -1.019 119.603 120.500 0.204 0.000 3.422 229 R HA -0.157 4.200 4.340 0.029 0.000 0.267 229 R C 0.411 176.752 176.300 0.069 0.000 1.074 229 R CA 0.429 56.619 56.100 0.150 0.000 0.718 229 R CB -1.687 28.745 30.300 0.220 0.000 1.157 229 R HN 0.581 nan 8.270 nan 0.000 0.440 230 G N 0.041 108.876 108.800 0.058 0.000 2.938 230 G HA2 0.702 4.679 3.960 0.029 0.000 0.258 230 G HA3 0.702 4.679 3.960 0.029 0.000 0.258 230 G C -2.652 172.261 174.900 0.021 0.000 1.356 230 G CA -0.968 44.131 45.100 -0.001 0.000 1.052 230 G HN 0.118 nan 8.290 nan 0.000 0.550 231 P HA 0.185 nan 4.420 nan 0.000 0.274 231 P C -0.576 176.750 177.300 0.043 0.000 1.256 231 P CA -0.499 62.588 63.100 -0.021 0.000 0.795 231 P CB 1.014 32.666 31.700 -0.080 0.000 1.038 232 R N 0.313 120.793 120.500 -0.034 0.000 2.351 232 R HA 0.494 4.851 4.340 0.029 0.000 0.318 232 R C 0.360 176.677 176.300 0.028 0.000 1.055 232 R CA 0.685 56.715 56.100 -0.117 0.000 0.968 232 R CB -0.626 29.480 30.300 -0.323 0.000 0.974 232 R HN 0.851 nan 8.270 nan 0.000 0.439 233 G N 1.346 110.291 108.800 0.242 0.000 2.315 233 G HA2 0.395 4.372 3.960 0.029 0.000 0.294 233 G HA3 0.395 4.372 3.960 0.029 0.000 0.294 233 G C -1.299 173.688 174.900 0.146 0.000 1.300 233 G CA -0.423 44.761 45.100 0.141 0.000 0.843 233 G HN 0.783 nan 8.290 nan 0.000 0.527 234 G N -1.363 107.484 108.800 0.079 0.000 2.685 234 G HA2 0.828 4.805 3.960 0.029 0.000 0.298 234 G HA3 0.828 4.805 3.960 0.029 0.000 0.298 234 G C -0.835 174.089 174.900 0.041 0.000 1.277 234 G CA -0.425 44.698 45.100 0.039 0.000 0.986 234 G HN 1.154 nan 8.290 nan 0.000 0.487 235 M N -0.103 119.504 119.600 0.012 0.000 2.471 235 M HA 0.600 5.097 4.480 0.029 0.000 0.284 235 M C -2.092 174.190 176.300 -0.030 0.000 1.203 235 M CA -0.648 54.661 55.300 0.015 0.000 0.915 235 M CB 2.236 34.864 32.600 0.045 0.000 1.734 235 M HN 0.400 nan 8.290 nan 0.000 0.485 236 I N 4.680 125.243 120.570 -0.011 0.000 2.465 236 I HA 0.491 4.678 4.170 0.029 0.000 0.291 236 I C -1.263 174.853 176.117 -0.001 0.000 1.014 236 I CA -0.690 60.611 61.300 0.001 0.000 1.093 236 I CB 1.938 39.970 38.000 0.053 0.000 1.267 236 I HN 0.587 nan 8.210 nan 0.000 0.431 237 L N 6.166 127.379 121.223 -0.016 0.000 2.346 237 L HA 0.830 5.188 4.340 0.029 0.000 0.274 237 L C -0.469 176.447 176.870 0.078 0.000 1.007 237 L CA -0.611 54.227 54.840 -0.005 0.000 0.818 237 L CB 1.887 43.888 42.059 -0.097 0.000 1.284 237 L HN 0.812 nan 8.230 nan 0.000 0.424 238 C N -0.316 119.061 119.300 0.128 0.000 3.295 238 C HA 0.493 4.971 4.460 0.029 0.000 0.341 238 C C -0.858 174.216 174.990 0.141 0.000 1.418 238 C CA -1.014 58.086 59.018 0.136 0.000 1.240 238 C CB 1.786 29.671 27.740 0.242 0.000 1.562 238 C HN 0.877 nan 8.230 nan 0.000 0.457 239 Q N 0.877 120.755 119.800 0.131 0.000 2.312 239 Q HA 0.280 4.637 4.340 0.029 0.000 0.236 239 Q C 0.730 176.743 176.000 0.022 0.000 0.965 239 Q CA 0.069 55.910 55.803 0.062 0.000 0.894 239 Q CB 0.984 29.727 28.738 0.009 0.000 1.225 239 Q HN 0.869 nan 8.270 nan 0.000 0.478 240 E N 1.496 121.677 120.200 -0.032 0.000 2.147 240 E HA -0.299 4.068 4.350 0.029 0.000 0.199 240 E C 1.945 178.446 176.600 -0.166 0.000 1.005 240 E CA 2.482 58.831 56.400 -0.085 0.000 0.810 240 E CB -0.118 29.541 29.700 -0.067 0.000 0.736 240 E HN 0.781 nan 8.360 nan 0.000 0.460 241 Q N -1.359 118.280 119.800 -0.267 0.000 2.291 241 Q HA -0.140 4.217 4.340 0.029 0.000 0.206 241 Q C 1.089 176.798 176.000 -0.485 0.000 0.976 241 Q CA 1.473 57.017 55.803 -0.431 0.000 0.875 241 Q CB -0.301 28.071 28.738 -0.609 0.000 0.927 241 Q HN 0.353 nan 8.270 nan 0.000 0.450 242 F N -0.149 119.783 119.950 -0.030 0.000 2.678 242 F HA 0.495 5.039 4.527 0.028 0.000 0.305 242 F C 2.113 177.900 175.800 -0.022 0.000 1.090 242 F CA -0.221 57.798 58.000 0.031 0.000 1.272 242 F CB -0.056 39.001 39.000 0.096 0.000 1.060 242 F HN 0.136 nan 8.300 nan 0.000 0.576 243 A N 0.784 123.565 122.820 -0.065 0.000 1.873 243 A HA -0.287 4.050 4.320 0.029 0.000 0.218 243 A C 2.355 179.744 177.584 -0.325 0.000 1.193 243 A CA 2.222 53.973 52.037 -0.478 0.000 0.629 243 A CB -0.667 17.831 19.000 -0.837 0.000 0.826 243 A HN 0.330 nan 8.150 nan 0.000 0.447 244 K N -0.794 119.501 120.400 -0.177 0.000 2.057 244 K HA -0.188 4.150 4.320 0.029 0.000 0.207 244 K C 2.337 178.939 176.600 0.002 0.000 1.049 244 K CA 1.664 57.897 56.287 -0.090 0.000 0.931 244 K CB -0.196 32.274 32.500 -0.050 0.000 0.714 244 K HN 0.667 nan 8.250 nan 0.000 0.440 245 Q N 0.140 119.978 119.800 0.064 0.000 2.079 245 Q HA -0.128 4.229 4.340 0.029 0.000 0.200 245 Q C 2.076 178.152 176.000 0.127 0.000 0.974 245 Q CA 1.038 56.908 55.803 0.112 0.000 0.840 245 Q CB 0.030 28.867 28.738 0.164 0.000 0.898 245 Q HN 0.303 nan 8.270 nan 0.000 0.430 246 I N 1.322 121.981 120.570 0.149 0.000 2.252 246 I HA -0.228 3.959 4.170 0.029 0.000 0.245 246 I C 1.541 177.749 176.117 0.152 0.000 1.102 246 I CA 1.377 62.771 61.300 0.157 0.000 1.385 246 I CB -0.909 37.231 38.000 0.233 0.000 1.064 246 I HN 0.199 nan 8.210 nan 0.000 0.414 247 D N 0.911 121.364 120.400 0.087 0.000 2.117 247 D HA -0.167 4.490 4.640 0.029 0.000 0.197 247 D C 2.203 178.657 176.300 0.258 0.000 0.987 247 D CA 1.127 55.145 54.000 0.029 0.000 0.829 247 D CB -0.092 40.440 40.800 -0.446 0.000 0.961 247 D HN 0.309 nan 8.370 nan 0.000 0.460 248 K N 0.376 120.889 120.400 0.188 0.000 2.148 248 K HA 0.013 4.351 4.320 0.029 0.000 0.204 248 K C 2.055 178.779 176.600 0.207 0.000 1.050 248 K CA 0.900 57.312 56.287 0.208 0.000 0.942 248 K CB 0.027 32.614 32.500 0.146 0.000 0.724 248 K HN 0.017 nan 8.250 nan 0.000 0.446 249 A N 1.439 124.392 122.820 0.222 0.000 1.898 249 A HA -0.136 4.202 4.320 0.029 0.000 0.216 249 A C 2.020 179.671 177.584 0.111 0.000 1.181 249 A CA 1.092 53.288 52.037 0.264 0.000 0.620 249 A CB -0.325 18.838 19.000 0.271 0.000 0.819 249 A HN 0.081 nan 8.150 nan 0.000 0.442 250 I N -2.586 118.081 120.570 0.162 0.000 2.163 250 I HA 0.031 4.218 4.170 0.029 0.000 0.240 250 I C 0.597 176.837 176.117 0.205 0.000 1.081 250 I CA 1.321 62.707 61.300 0.143 0.000 1.353 250 I CB -0.590 37.539 38.000 0.216 0.000 1.054 250 I HN 0.346 nan 8.210 nan 0.000 0.407 251 F N 2.311 122.353 119.950 0.154 0.000 2.588 251 F HA 0.406 4.952 4.527 0.031 0.000 0.314 251 F C -2.243 173.672 175.800 0.192 0.000 1.134 251 F CA -1.783 56.286 58.000 0.115 0.000 0.961 251 F CB 2.065 41.097 39.000 0.053 0.000 1.239 251 F HN -0.240 nan 8.300 nan 0.000 0.448 252 P HA 0.183 nan 4.420 nan 0.000 0.256 252 P C 0.842 177.885 177.300 -0.429 0.000 1.384 252 P CA 0.488 62.908 63.100 -1.133 0.000 0.879 252 P CB 0.349 31.450 31.700 -0.999 0.000 1.403 253 G N 2.151 110.834 108.800 -0.194 0.000 2.505 253 G HA2 -0.164 3.814 3.960 0.029 0.000 0.214 253 G HA3 -0.164 3.814 3.960 0.029 0.000 0.214 253 G C 1.262 175.879 174.900 -0.471 0.000 1.237 253 G CA 0.954 45.914 45.100 -0.233 0.000 0.802 253 G HN 0.423 nan 8.290 nan 0.000 0.549 254 I N -3.322 117.023 120.570 -0.375 0.000 4.323 254 I HA 0.434 4.621 4.170 0.029 0.000 0.328 254 I C 0.708 176.740 176.117 -0.141 0.000 1.310 254 I CA -0.176 60.913 61.300 -0.351 0.000 1.186 254 I CB 0.532 38.290 38.000 -0.403 0.000 1.130 254 I HN 0.064 nan 8.210 nan 0.000 0.411 255 Q N 0.877 120.656 119.800 -0.034 0.000 2.572 255 Q HA 0.668 5.025 4.340 0.029 0.000 0.284 255 Q C -0.021 176.140 176.000 0.268 0.000 1.091 255 Q CA -0.426 55.425 55.803 0.080 0.000 0.840 255 Q CB 2.180 30.883 28.738 -0.058 0.000 1.433 255 Q HN 0.276 nan 8.270 nan 0.000 0.471 256 G N -0.545 108.441 108.800 0.312 0.000 3.267 256 G HA2 0.451 4.429 3.960 0.029 0.000 0.200 256 G HA3 0.451 4.429 3.960 0.029 0.000 0.200 256 G C -0.335 174.679 174.900 0.190 0.000 1.603 256 G CA -0.129 45.211 45.100 0.399 0.000 0.753 256 G HN 0.576 nan 8.290 nan 0.000 0.755 257 G N 2.027 110.949 108.800 0.204 0.000 2.365 257 G HA2 0.496 4.473 3.960 0.029 0.000 0.249 257 G HA3 0.496 4.473 3.960 0.029 0.000 0.249 257 G C -2.076 172.815 174.900 -0.014 0.000 1.288 257 G CA -0.364 44.743 45.100 0.012 0.000 0.887 257 G HN 0.370 nan 8.290 nan 0.000 0.524 258 P HA 0.167 nan 4.420 nan 0.000 0.274 258 P C -0.085 177.209 177.300 -0.011 0.000 1.237 258 P CA -0.452 62.645 63.100 -0.006 0.000 0.793 258 P CB 1.294 32.932 31.700 -0.104 0.000 0.977 259 L N 2.638 123.879 121.223 0.030 0.000 2.375 259 L HA 0.133 4.491 4.340 0.029 0.000 0.276 259 L C 1.790 178.600 176.870 -0.100 0.000 1.162 259 L CA -0.511 54.289 54.840 -0.066 0.000 0.991 259 L CB -0.141 41.789 42.059 -0.214 0.000 1.315 259 L HN 0.234 nan 8.230 nan 0.000 0.431 260 M N 0.836 120.452 119.600 0.027 0.000 2.213 260 M HA -0.155 4.342 4.480 0.029 0.000 0.263 260 M C 2.206 178.527 176.300 0.036 0.000 1.062 260 M CA 1.756 57.066 55.300 0.016 0.000 1.105 260 M CB -1.141 31.467 32.600 0.013 0.000 1.385 260 M HN 0.681 nan 8.290 nan 0.000 0.417 261 H N -1.782 117.247 119.070 -0.068 0.000 2.389 261 H HA 0.019 4.579 4.556 0.007 0.000 0.299 261 H C 1.890 177.181 175.328 -0.061 0.000 1.081 261 H CA 1.151 57.162 56.048 -0.061 0.000 1.345 261 H CB -0.767 28.956 29.762 -0.064 0.000 1.393 261 H HN 0.139 nan 8.280 nan 0.000 0.520 262 V N 1.140 120.750 119.914 -0.508 0.000 2.453 262 V HA -0.163 3.974 4.120 0.029 0.000 0.247 262 V C 2.496 178.472 176.094 -0.197 0.000 1.048 262 V CA 1.517 63.612 62.300 -0.342 0.000 1.049 262 V CB -0.434 31.167 31.823 -0.370 0.000 0.672 262 V HN 0.406 nan 8.190 nan 0.000 0.457 263 I N 0.713 121.191 120.570 -0.154 0.000 2.286 263 I HA -0.235 3.952 4.170 0.029 0.000 0.248 263 I C 2.671 178.721 176.117 -0.113 0.000 1.115 263 I CA 1.399 62.636 61.300 -0.104 0.000 1.392 263 I CB -0.529 37.440 38.000 -0.051 0.000 1.065 263 I HN 0.284 nan 8.210 nan 0.000 0.418 264 A N 0.772 123.541 122.820 -0.085 0.000 1.883 264 A HA -0.209 4.128 4.320 0.029 0.000 0.217 264 A C 2.538 180.051 177.584 -0.119 0.000 1.186 264 A CA 2.000 53.993 52.037 -0.072 0.000 0.624 264 A CB -0.877 18.107 19.000 -0.028 0.000 0.822 264 A HN 0.433 nan 8.150 nan 0.000 0.444 265 A N -0.474 122.267 122.820 -0.133 0.000 1.969 265 A HA -0.128 4.210 4.320 0.029 0.000 0.218 265 A C 2.087 179.508 177.584 -0.272 0.000 1.169 265 A CA 1.744 53.686 52.037 -0.157 0.000 0.635 265 A CB -0.389 18.537 19.000 -0.124 0.000 0.810 265 A HN 0.560 nan 8.150 nan 0.000 0.445 266 K N -0.221 119.967 120.400 -0.353 0.000 2.026 266 K HA -0.097 4.240 4.320 0.029 0.000 0.208 266 K C 2.341 178.295 176.600 -1.078 0.000 1.048 266 K CA 1.184 57.040 56.287 -0.719 0.000 0.929 266 K CB -0.360 31.815 32.500 -0.542 0.000 0.713 266 K HN 0.435 nan 8.250 nan 0.000 0.439 267 A N 1.078 123.580 122.820 -0.530 0.000 1.908 267 A HA -0.159 4.179 4.320 0.029 0.000 0.218 267 A C 2.388 179.840 177.584 -0.219 0.000 1.181 267 A CA 1.715 53.587 52.037 -0.275 0.000 0.627 267 A CB -0.794 18.152 19.000 -0.091 0.000 0.818 267 A HN 0.087 nan 8.150 nan 0.000 0.445 268 V N -0.153 119.635 119.914 -0.209 0.000 2.295 268 V HA -0.264 3.873 4.120 0.029 0.000 0.246 268 V C 3.056 179.057 176.094 -0.156 0.000 1.049 268 V CA 2.029 64.246 62.300 -0.139 0.000 1.024 268 V CB -1.394 30.363 31.823 -0.110 0.000 0.648 268 V HN 0.627 nan 8.190 nan 0.000 0.447 269 A N -0.427 122.243 122.820 -0.250 0.000 1.940 269 A HA -0.179 4.158 4.320 0.029 0.000 0.219 269 A C 2.130 179.649 177.584 -0.108 0.000 1.176 269 A CA 1.880 53.791 52.037 -0.209 0.000 0.631 269 A CB -0.746 18.104 19.000 -0.249 0.000 0.814 269 A HN 0.559 nan 8.150 nan 0.000 0.446 270 F N -0.140 119.735 119.950 -0.125 0.000 2.206 270 F HA -0.039 4.513 4.527 0.041 0.000 0.298 270 F C 2.715 178.416 175.800 -0.164 0.000 1.090 270 F CA 0.185 58.094 58.000 -0.151 0.000 1.323 270 F CB -0.534 38.416 39.000 -0.083 0.000 1.028 270 F HN 0.358 nan 8.300 nan 0.000 0.492 271 G N 0.458 109.287 108.800 0.048 0.000 2.446 271 G HA2 -0.254 3.723 3.960 0.029 0.000 0.217 271 G HA3 -0.254 3.723 3.960 0.029 0.000 0.217 271 G C 1.382 176.257 174.900 -0.042 0.000 1.168 271 G CA 0.969 46.067 45.100 -0.003 0.000 0.771 271 G HN 0.344 nan 8.290 nan 0.000 0.551 272 E N 0.509 120.663 120.200 -0.076 0.000 2.077 272 E HA -0.026 4.341 4.350 0.029 0.000 0.193 272 E C 2.885 179.376 176.600 -0.181 0.000 0.989 272 E CA 0.768 57.116 56.400 -0.088 0.000 0.800 272 E CB -0.194 29.455 29.700 -0.085 0.000 0.746 272 E HN 0.423 nan 8.360 nan 0.000 0.452 273 A N 0.914 123.481 122.820 -0.421 0.000 2.015 273 A HA -0.098 4.239 4.320 0.029 0.000 0.219 273 A C 2.072 179.502 177.584 -0.258 0.000 1.163 273 A CA 0.807 52.360 52.037 -0.807 0.000 0.646 273 A CB -0.401 18.062 19.000 -0.895 0.000 0.806 273 A HN 0.139 nan 8.150 nan 0.000 0.448 274 L N -0.229 120.909 121.223 -0.141 0.000 2.478 274 L HA -0.053 4.304 4.340 0.029 0.000 0.223 274 L C 0.792 177.665 176.870 0.005 0.000 1.140 274 L CA 0.129 54.931 54.840 -0.063 0.000 0.842 274 L CB -0.235 41.792 42.059 -0.054 0.000 0.953 274 L HN 0.433 nan 8.230 nan 0.000 0.452 275 Q N -0.006 119.815 119.800 0.035 0.000 2.354 275 Q HA 0.003 4.360 4.340 0.029 0.000 0.244 275 Q C 0.292 176.364 176.000 0.119 0.000 0.969 275 Q CA -0.227 55.618 55.803 0.070 0.000 0.885 275 Q CB 0.982 29.763 28.738 0.072 0.000 1.241 275 Q HN 0.055 nan 8.270 nan 0.000 0.461 276 D N 1.320 121.775 120.400 0.091 0.000 2.144 276 D HA -0.169 4.488 4.640 0.029 0.000 0.199 276 D C 1.266 177.636 176.300 0.118 0.000 0.984 276 D CA 1.496 55.552 54.000 0.092 0.000 0.834 276 D CB 0.004 40.841 40.800 0.063 0.000 0.955 276 D HN 0.610 nan 8.370 nan 0.000 0.465 277 D N -0.214 120.262 120.400 0.126 0.000 2.264 277 D HA -0.173 4.484 4.640 0.029 0.000 0.208 277 D C 1.927 178.346 176.300 0.198 0.000 0.966 277 D CA 0.258 54.338 54.000 0.134 0.000 0.864 277 D CB -0.967 39.897 40.800 0.108 0.000 0.933 277 D HN 0.254 nan 8.370 nan 0.000 0.499 278 F N 1.185 121.195 119.950 0.101 0.000 2.186 278 F HA 0.006 4.550 4.527 0.029 0.000 0.299 278 F C 1.978 177.893 175.800 0.191 0.000 1.090 278 F CA 1.032 59.132 58.000 0.167 0.000 1.307 278 F CB 0.086 39.153 39.000 0.111 0.000 1.019 278 F HN -0.247 nan 8.300 nan 0.000 0.489 279 K N 0.654 121.173 120.400 0.198 0.000 2.057 279 K HA -0.095 4.242 4.320 0.029 0.000 0.207 279 K C 2.277 178.872 176.600 -0.008 0.000 1.049 279 K CA 1.448 57.780 56.287 0.075 0.000 0.931 279 K CB -0.960 31.600 32.500 0.099 0.000 0.714 279 K HN 0.313 nan 8.250 nan 0.000 0.440 280 A N -0.072 122.768 122.820 0.033 0.000 1.902 280 A HA -0.199 4.138 4.320 0.029 0.000 0.217 280 A C 2.155 179.735 177.584 -0.008 0.000 1.181 280 A CA 1.573 53.622 52.037 0.019 0.000 0.623 280 A CB -0.888 18.143 19.000 0.052 0.000 0.818 280 A HN 0.450 nan 8.150 nan 0.000 0.443 281 Y N 0.857 121.083 120.300 -0.123 0.000 2.097 281 Y HA -0.165 4.405 4.550 0.034 0.000 0.282 281 Y C 2.566 178.325 175.900 -0.235 0.000 1.152 281 Y CA 1.577 59.572 58.100 -0.175 0.000 1.136 281 Y CB -0.774 37.545 38.460 -0.235 0.000 0.975 281 Y HN 0.278 nan 8.280 nan 0.000 0.498 282 A N 0.511 122.929 122.820 -0.670 0.000 1.933 282 A HA -0.198 4.139 4.320 0.029 0.000 0.218 282 A C 2.356 179.721 177.584 -0.365 0.000 1.175 282 A CA 1.841 53.472 52.037 -0.677 0.000 0.628 282 A CB -0.811 17.903 19.000 -0.476 0.000 0.814 282 A HN 0.573 nan 8.150 nan 0.000 0.444 283 K N -0.387 119.880 120.400 -0.222 0.000 2.057 283 K HA -0.129 4.208 4.320 0.029 0.000 0.207 283 K C 2.262 178.787 176.600 -0.125 0.000 1.049 283 K CA 1.229 57.443 56.287 -0.121 0.000 0.931 283 K CB -0.175 32.289 32.500 -0.061 0.000 0.714 283 K HN 0.436 nan 8.250 nan 0.000 0.440 284 R N 0.215 120.624 120.500 -0.152 0.000 2.096 284 R HA -0.102 4.255 4.340 0.029 0.000 0.235 284 R C 2.275 178.490 176.300 -0.141 0.000 1.127 284 R CA 1.318 57.352 56.100 -0.110 0.000 0.968 284 R CB -0.364 29.901 30.300 -0.060 0.000 0.861 284 R HN 0.068 nan 8.270 nan 0.000 0.440 285 V N 0.582 120.322 119.914 -0.291 0.000 2.255 285 V HA -0.247 3.890 4.120 0.029 0.000 0.247 285 V C 2.380 178.417 176.094 -0.095 0.000 1.051 285 V CA 1.825 63.984 62.300 -0.235 0.000 1.018 285 V CB -0.414 31.175 31.823 -0.390 0.000 0.641 285 V HN 0.123 nan 8.190 nan 0.000 0.445 286 V N 0.067 119.928 119.914 -0.088 0.000 2.358 286 V HA -0.227 3.911 4.120 0.029 0.000 0.246 286 V C 2.283 178.365 176.094 -0.020 0.000 1.047 286 V CA 2.122 64.407 62.300 -0.026 0.000 1.035 286 V CB -0.734 31.081 31.823 -0.014 0.000 0.658 286 V HN 0.539 nan 8.190 nan 0.000 0.452 287 D N 0.325 120.706 120.400 -0.031 0.000 2.117 287 D HA -0.144 4.513 4.640 0.029 0.000 0.197 287 D C 2.070 178.367 176.300 -0.004 0.000 0.987 287 D CA 1.193 55.184 54.000 -0.015 0.000 0.829 287 D CB -0.430 40.361 40.800 -0.016 0.000 0.961 287 D HN 0.344 nan 8.370 nan 0.000 0.460 288 N N 0.534 119.232 118.700 -0.004 0.000 2.166 288 N HA -0.084 4.674 4.740 0.029 0.000 0.186 288 N C 1.687 177.207 175.510 0.017 0.000 1.019 288 N CA 1.214 54.275 53.050 0.018 0.000 0.856 288 N CB -0.354 38.155 38.487 0.036 0.000 0.993 288 N HN 0.133 nan 8.380 nan 0.000 0.426 289 A N 0.871 123.694 122.820 0.004 0.000 1.902 289 A HA -0.114 4.223 4.320 0.029 0.000 0.217 289 A C 2.220 179.800 177.584 -0.007 0.000 1.181 289 A CA 1.459 53.494 52.037 -0.003 0.000 0.623 289 A CB -0.354 18.641 19.000 -0.009 0.000 0.818 289 A HN 0.148 nan 8.150 nan 0.000 0.443 290 K N -0.673 119.724 120.400 -0.004 0.000 2.026 290 K HA -0.124 4.214 4.320 0.029 0.000 0.208 290 K C 2.276 178.879 176.600 0.004 0.000 1.048 290 K CA 1.613 57.898 56.287 -0.003 0.000 0.929 290 K CB -0.168 32.330 32.500 -0.002 0.000 0.713 290 K HN 0.340 nan 8.250 nan 0.000 0.439 291 R N 0.629 121.134 120.500 0.009 0.000 2.073 291 R HA -0.079 4.278 4.340 0.029 0.000 0.234 291 R C 1.993 178.305 176.300 0.020 0.000 1.134 291 R CA 1.275 57.383 56.100 0.014 0.000 0.952 291 R CB -0.866 29.444 30.300 0.017 0.000 0.850 291 R HN 0.177 nan 8.270 nan 0.000 0.433 292 L N 0.289 121.524 121.223 0.020 0.000 2.046 292 L HA -0.005 4.353 4.340 0.029 0.000 0.208 292 L C 2.084 178.964 176.870 0.016 0.000 1.077 292 L CA 2.217 57.070 54.840 0.022 0.000 0.747 292 L CB -1.058 41.012 42.059 0.019 0.000 0.896 292 L HN 0.287 nan 8.230 nan 0.000 0.432 293 A N -1.552 121.272 122.820 0.007 0.000 1.865 293 A HA -0.268 4.069 4.320 0.029 0.000 0.217 293 A C 2.536 180.137 177.584 0.028 0.000 1.191 293 A CA 2.186 54.228 52.037 0.008 0.000 0.623 293 A CB -1.336 17.662 19.000 -0.004 0.000 0.826 293 A HN 0.531 nan 8.150 nan 0.000 0.444 294 S N -0.459 115.256 115.700 0.024 0.000 2.359 294 S HA -0.101 4.386 4.470 0.029 0.000 0.224 294 S C 2.169 176.794 174.600 0.042 0.000 1.035 294 S CA 1.816 60.034 58.200 0.029 0.000 1.018 294 S CB -0.530 62.682 63.200 0.020 0.000 0.876 294 S HN 0.886 nan 8.310 nan 0.000 0.448 295 A N 0.948 123.794 122.820 0.044 0.000 1.969 295 A HA 0.101 4.439 4.320 0.029 0.000 0.218 295 A C 2.211 179.852 177.584 0.095 0.000 1.169 295 A CA 1.264 53.334 52.037 0.056 0.000 0.635 295 A CB -0.654 18.374 19.000 0.046 0.000 0.810 295 A HN 0.580 nan 8.150 nan 0.000 0.445 296 L N -1.047 120.242 121.223 0.110 0.000 2.056 296 L HA -0.221 4.136 4.340 0.029 0.000 0.207 296 L C 2.850 179.877 176.870 0.262 0.000 1.078 296 L CA 1.398 56.367 54.840 0.216 0.000 0.749 296 L CB -0.516 41.606 42.059 0.106 0.000 0.901 296 L HN 0.454 nan 8.230 nan 0.000 0.433 297 Q N -0.353 119.535 119.800 0.147 0.000 2.135 297 Q HA -0.244 4.113 4.340 0.029 0.000 0.204 297 Q C 2.029 178.068 176.000 0.065 0.000 0.981 297 Q CA 1.622 57.488 55.803 0.105 0.000 0.856 297 Q CB -0.305 28.473 28.738 0.066 0.000 0.902 297 Q HN 0.494 nan 8.270 nan 0.000 0.425 298 N N 0.354 119.089 118.700 0.059 0.000 2.205 298 N HA -0.183 4.575 4.740 0.029 0.000 0.186 298 N C 1.160 176.679 175.510 0.015 0.000 1.015 298 N CA 0.808 53.877 53.050 0.032 0.000 0.862 298 N CB 0.231 38.738 38.487 0.033 0.000 0.986 298 N HN 0.211 nan 8.380 nan 0.000 0.429 299 E N -0.297 119.929 120.200 0.044 0.000 2.427 299 E HA -0.009 4.358 4.350 0.029 0.000 0.196 299 E C 1.132 177.601 176.600 -0.219 0.000 1.028 299 E CA 0.709 57.093 56.400 -0.026 0.000 0.864 299 E CB -0.031 29.742 29.700 0.121 0.000 0.813 299 E HN 0.596 nan 8.360 nan 0.000 0.514 300 G N 0.706 109.411 108.800 -0.159 0.000 2.168 300 G HA2 -0.223 3.754 3.960 0.029 0.000 0.197 300 G HA3 -0.223 3.754 3.960 0.029 0.000 0.197 300 G C -0.092 174.667 174.900 -0.235 0.000 0.997 300 G CA -0.378 44.597 45.100 -0.210 0.000 0.658 300 G HN 0.117 nan 8.290 nan 0.000 0.513 301 F N 1.994 121.948 119.950 0.007 0.000 2.399 301 F HA 0.554 5.099 4.527 0.030 0.000 0.342 301 F C 1.190 176.995 175.800 0.009 0.000 1.106 301 F CA 0.047 58.051 58.000 0.007 0.000 1.196 301 F CB 1.334 40.337 39.000 0.005 0.000 1.163 301 F HN -0.078 nan 8.300 nan 0.000 0.547 302 T N 5.149 119.836 114.554 0.220 0.000 2.806 302 T HA 0.529 4.896 4.350 0.029 0.000 0.290 302 T C -0.124 174.646 174.700 0.116 0.000 0.966 302 T CA -0.473 61.708 62.100 0.135 0.000 1.060 302 T CB 0.289 69.219 68.868 0.104 0.000 0.927 302 T HN 0.274 nan 8.240 nan 0.000 0.485 303 L N 3.012 124.287 121.223 0.087 0.000 2.317 303 L HA 0.500 4.857 4.340 0.029 0.000 0.281 303 L C 0.134 177.040 176.870 0.059 0.000 1.024 303 L CA -1.353 53.516 54.840 0.048 0.000 0.810 303 L CB 1.519 43.597 42.059 0.033 0.000 1.240 303 L HN 0.316 nan 8.230 nan 0.000 0.427 304 V N 2.768 122.681 119.914 -0.002 0.000 2.617 304 V HA -0.064 4.073 4.120 0.029 0.000 0.304 304 V C 1.167 177.332 176.094 0.119 0.000 1.040 304 V CA 1.261 63.543 62.300 -0.031 0.000 1.149 304 V CB 0.854 32.557 31.823 -0.199 0.000 0.914 304 V HN 1.176 nan 8.190 nan 0.000 0.487 305 S N 2.477 118.417 115.700 0.400 0.000 2.929 305 S HA -0.216 4.272 4.470 0.029 0.000 0.271 305 S C 1.343 175.998 174.600 0.091 0.000 1.295 305 S CA 1.179 59.502 58.200 0.206 0.000 1.277 305 S CB -1.941 61.306 63.200 0.080 0.000 1.557 305 S HN 2.835 nan 8.310 nan 0.000 0.666 306 G N -0.348 108.510 108.800 0.097 0.000 2.148 306 G HA2 0.321 4.298 3.960 0.029 0.000 0.254 306 G HA3 0.321 4.298 3.960 0.029 0.000 0.254 306 G C 0.980 175.896 174.900 0.026 0.000 0.981 306 G CA 0.618 45.749 45.100 0.053 0.000 0.670 306 G HN 2.652 nan 8.290 nan 0.000 0.528 307 G N -2.663 106.145 108.800 0.012 0.000 2.403 307 G HA2 0.651 4.628 3.960 0.029 0.000 0.223 307 G HA3 0.651 4.628 3.960 0.029 0.000 0.223 307 G C -0.537 174.340 174.900 -0.038 0.000 1.287 307 G CA 0.923 46.018 45.100 -0.009 0.000 0.982 307 G HN 1.928 nan 8.290 nan 0.000 0.471 308 T N -1.072 113.456 114.554 -0.043 0.000 2.932 308 T HA 0.565 4.932 4.350 0.029 0.000 0.318 308 T C -1.112 173.560 174.700 -0.047 0.000 1.265 308 T CA 0.153 62.213 62.100 -0.066 0.000 1.036 308 T CB 1.880 70.705 68.868 -0.071 0.000 1.209 308 T HN 0.307 nan 8.240 nan 0.000 0.484 309 D N 1.850 122.220 120.400 -0.050 0.000 2.407 309 D HA 0.188 4.845 4.640 0.029 0.000 0.208 309 D C 0.715 177.040 176.300 0.042 0.000 1.083 309 D CA 0.336 54.329 54.000 -0.013 0.000 0.844 309 D CB 0.524 41.310 40.800 -0.023 0.000 0.967 309 D HN 0.677 nan 8.370 nan 0.000 0.506 310 N N -0.780 117.947 118.700 0.044 0.000 3.567 310 N HA -0.022 4.735 4.740 0.029 0.000 0.347 310 N C 1.053 176.626 175.510 0.104 0.000 1.553 310 N CA -0.320 52.810 53.050 0.133 0.000 0.636 310 N CB -0.215 38.424 38.487 0.253 0.000 2.483 310 N HN -0.153 nan 8.380 nan 0.000 0.608 311 H N -0.944 118.139 119.070 0.022 0.000 2.544 311 H HA 0.295 4.868 4.556 0.029 0.000 0.269 311 H C 0.081 175.414 175.328 0.009 0.000 0.970 311 H CA 0.048 56.099 56.048 0.006 0.000 1.219 311 H CB -0.290 29.486 29.762 0.024 0.000 1.421 311 H HN 0.508 nan 8.280 nan 0.000 0.555 312 L N 0.141 121.035 121.223 -0.548 0.000 2.341 312 L HA 0.658 5.016 4.340 0.029 0.000 0.267 312 L C -1.000 175.727 176.870 -0.240 0.000 1.009 312 L CA -1.564 53.013 54.840 -0.438 0.000 0.819 312 L CB 2.207 43.891 42.059 -0.624 0.000 1.323 312 L HN 0.049 nan 8.230 nan 0.000 0.425 313 L N 0.349 121.471 121.223 -0.168 0.000 2.359 313 L HA 0.871 5.228 4.340 0.029 0.000 0.256 313 L C -1.410 175.392 176.870 -0.113 0.000 1.026 313 L CA -0.842 53.924 54.840 -0.123 0.000 0.828 313 L CB 1.955 43.962 42.059 -0.088 0.000 1.406 313 L HN 0.639 nan 8.230 nan 0.000 0.413 314 L N 1.631 122.795 121.223 -0.097 0.000 2.381 314 L HA 0.681 5.039 4.340 0.029 0.000 0.274 314 L C -0.896 175.925 176.870 -0.081 0.000 0.988 314 L CA -0.820 53.964 54.840 -0.093 0.000 0.824 314 L CB 2.286 44.288 42.059 -0.095 0.000 1.263 314 L HN 0.473 nan 8.230 nan 0.000 0.410 315 V N 1.644 121.503 119.914 -0.092 0.000 2.406 315 V HA 0.158 4.295 4.120 0.029 0.000 0.272 315 V C -0.189 175.881 176.094 -0.040 0.000 1.043 315 V CA -0.485 61.768 62.300 -0.078 0.000 0.915 315 V CB 1.396 33.110 31.823 -0.183 0.000 0.988 315 V HN 0.614 nan 8.190 nan 0.000 0.466 316 D N 4.562 124.963 120.400 0.000 0.000 2.352 316 D HA 0.195 4.852 4.640 0.029 0.000 0.245 316 D C 0.628 176.969 176.300 0.069 0.000 1.224 316 D CA 0.031 54.040 54.000 0.014 0.000 0.879 316 D CB 1.145 41.955 40.800 0.016 0.000 1.057 316 D HN 0.457 nan 8.370 nan 0.000 0.491 317 L N 3.677 124.935 121.223 0.058 0.000 2.592 317 L HA 0.182 4.539 4.340 0.029 0.000 0.227 317 L C 2.340 179.259 176.870 0.083 0.000 1.127 317 L CA -0.145 54.754 54.840 0.098 0.000 0.884 317 L CB 0.009 42.111 42.059 0.072 0.000 1.065 317 L HN 0.290 nan 8.230 nan 0.000 0.457 318 R N 0.666 121.202 120.500 0.061 0.000 2.103 318 R HA -0.180 4.178 4.340 0.029 0.000 0.242 318 R C -0.407 175.921 176.300 0.047 0.000 1.142 318 R CA 1.601 57.730 56.100 0.049 0.000 0.960 318 R CB -1.516 28.810 30.300 0.044 0.000 0.858 318 R HN 0.310 nan 8.270 nan 0.000 0.439 319 P HA -0.137 nan 4.420 nan 0.000 0.219 319 P C 0.572 177.886 177.300 0.023 0.000 1.146 319 P CA 1.281 64.400 63.100 0.033 0.000 0.808 319 P CB 0.129 31.848 31.700 0.032 0.000 0.779 320 Q N -1.287 118.540 119.800 0.046 0.000 2.360 320 Q HA 0.096 4.453 4.340 0.029 0.000 0.202 320 Q C 0.201 176.227 176.000 0.043 0.000 0.915 320 Q CA 0.159 55.987 55.803 0.040 0.000 0.943 320 Q CB -0.449 28.341 28.738 0.087 0.000 1.064 320 Q HN 0.053 nan 8.270 nan 0.000 0.511 321 Q N -0.293 119.531 119.800 0.041 0.000 2.453 321 Q HA -0.211 4.147 4.340 0.029 0.000 0.294 321 Q C -1.005 175.019 176.000 0.040 0.000 1.295 321 Q CA 0.862 56.686 55.803 0.035 0.000 0.853 321 Q CB -2.013 26.740 28.738 0.025 0.000 1.193 321 Q HN 0.405 nan 8.270 nan 0.000 0.461 322 L N -0.158 121.096 121.223 0.051 0.000 2.354 322 L HA 0.537 4.894 4.340 0.029 0.000 0.269 322 L C 0.993 177.888 176.870 0.043 0.000 1.005 322 L CA -0.739 54.132 54.840 0.050 0.000 0.819 322 L CB 1.919 44.019 42.059 0.067 0.000 1.311 322 L HN 0.135 nan 8.230 nan 0.000 0.423 323 T N -1.820 112.756 114.554 0.035 0.000 2.899 323 T HA 0.255 4.622 4.350 0.029 0.000 0.284 323 T C 1.245 175.959 174.700 0.023 0.000 1.004 323 T CA -0.073 62.045 62.100 0.029 0.000 1.043 323 T CB 1.637 70.523 68.868 0.030 0.000 1.013 323 T HN 0.708 nan 8.240 nan 0.000 0.518 324 G N 0.304 109.111 108.800 0.013 0.000 2.422 324 G HA2 -0.205 3.773 3.960 0.029 0.000 0.218 324 G HA3 -0.205 3.773 3.960 0.029 0.000 0.218 324 G C 1.372 176.276 174.900 0.006 0.000 1.146 324 G CA 0.875 45.975 45.100 0.000 0.000 0.769 324 G HN 0.848 nan 8.290 nan 0.000 0.547 325 K N -0.189 120.221 120.400 0.018 0.000 2.026 325 K HA -0.105 4.232 4.320 0.029 0.000 0.208 325 K C 2.574 179.188 176.600 0.023 0.000 1.048 325 K CA 1.751 58.053 56.287 0.025 0.000 0.929 325 K CB -0.307 32.216 32.500 0.039 0.000 0.713 325 K HN 0.271 nan 8.250 nan 0.000 0.439 326 T N 0.725 115.294 114.554 0.025 0.000 2.708 326 T HA -0.116 4.251 4.350 0.029 0.000 0.266 326 T C 1.857 176.572 174.700 0.024 0.000 1.037 326 T CA 1.334 63.450 62.100 0.026 0.000 1.146 326 T CB -0.322 68.564 68.868 0.030 0.000 0.865 326 T HN 0.422 nan 8.240 nan 0.000 0.435 327 A N 1.408 124.241 122.820 0.021 0.000 1.883 327 A HA -0.180 4.157 4.320 0.029 0.000 0.217 327 A C 2.219 179.806 177.584 0.004 0.000 1.186 327 A CA 2.060 54.106 52.037 0.014 0.000 0.624 327 A CB -0.743 18.258 19.000 0.001 0.000 0.822 327 A HN 0.625 nan 8.150 nan 0.000 0.444 328 E N -0.147 120.053 120.200 0.001 0.000 2.070 328 E HA -0.292 4.076 4.350 0.029 0.000 0.197 328 E C 2.124 178.730 176.600 0.009 0.000 1.004 328 E CA 1.798 58.199 56.400 0.001 0.000 0.805 328 E CB -0.176 29.526 29.700 0.003 0.000 0.744 328 E HN 0.637 nan 8.360 nan 0.000 0.451 329 K N 0.215 120.624 120.400 0.015 0.000 2.026 329 K HA -0.138 4.199 4.320 0.029 0.000 0.208 329 K C 2.170 178.781 176.600 0.019 0.000 1.048 329 K CA 1.442 57.740 56.287 0.018 0.000 0.929 329 K CB -0.258 32.254 32.500 0.020 0.000 0.713 329 K HN 0.144 nan 8.250 nan 0.000 0.439 330 V N 1.351 121.277 119.914 0.020 0.000 2.427 330 V HA -0.166 3.971 4.120 0.029 0.000 0.248 330 V C 2.065 178.172 176.094 0.022 0.000 1.051 330 V CA 1.398 63.712 62.300 0.023 0.000 1.048 330 V CB -0.173 31.668 31.823 0.028 0.000 0.666 330 V HN 0.347 nan 8.190 nan 0.000 0.456 331 L N 0.136 121.370 121.223 0.018 0.000 2.093 331 L HA -0.160 4.197 4.340 0.029 0.000 0.208 331 L C 2.343 179.224 176.870 0.018 0.000 1.085 331 L CA 2.120 56.970 54.840 0.016 0.000 0.755 331 L CB -0.655 41.406 42.059 0.003 0.000 0.904 331 L HN 0.458 nan 8.230 nan 0.000 0.435 332 D N 0.228 120.638 120.400 0.016 0.000 2.149 332 D HA -0.238 4.419 4.640 0.029 0.000 0.198 332 D C 1.976 178.288 176.300 0.020 0.000 0.990 332 D CA 1.280 55.291 54.000 0.018 0.000 0.839 332 D CB 0.126 40.936 40.800 0.017 0.000 0.948 332 D HN 0.312 nan 8.370 nan 0.000 0.460 333 E N -0.654 119.559 120.200 0.021 0.000 2.204 333 E HA -0.112 4.255 4.350 0.029 0.000 0.194 333 E C 1.961 178.575 176.600 0.023 0.000 0.989 333 E CA 1.121 57.533 56.400 0.021 0.000 0.824 333 E CB 0.202 29.915 29.700 0.021 0.000 0.756 333 E HN 0.452 nan 8.360 nan 0.000 0.477 334 V N -3.929 116.001 119.914 0.026 0.000 3.578 334 V HA 0.452 4.589 4.120 0.029 0.000 0.290 334 V C 1.076 177.189 176.094 0.032 0.000 1.376 334 V CA 0.415 62.732 62.300 0.029 0.000 1.083 334 V CB 0.347 32.188 31.823 0.031 0.000 0.911 334 V HN 0.217 nan 8.190 nan 0.000 0.433 335 G N 0.931 109.749 108.800 0.030 0.000 2.131 335 G HA2 -0.176 3.801 3.960 0.029 0.000 0.201 335 G HA3 -0.176 3.801 3.960 0.029 0.000 0.201 335 G C -0.240 174.681 174.900 0.036 0.000 1.000 335 G CA 0.144 45.264 45.100 0.034 0.000 0.680 335 G HN 0.591 nan 8.290 nan 0.000 0.514 336 I N 1.864 122.452 120.570 0.031 0.000 2.362 336 I HA 0.355 4.543 4.170 0.029 0.000 0.289 336 I C 0.060 176.187 176.117 0.017 0.000 0.994 336 I CA -0.611 60.706 61.300 0.028 0.000 1.158 336 I CB 1.860 39.875 38.000 0.026 0.000 1.315 336 I HN 0.021 nan 8.210 nan 0.000 0.451 337 T N 6.476 121.039 114.554 0.015 0.000 2.762 337 T HA 0.453 4.821 4.350 0.029 0.000 0.303 337 T C 0.055 174.754 174.700 -0.001 0.000 0.977 337 T CA -0.525 61.581 62.100 0.010 0.000 0.961 337 T CB 0.768 69.645 68.868 0.014 0.000 0.944 337 T HN 0.432 nan 8.240 nan 0.000 0.481 338 V N 1.196 121.106 119.914 -0.006 0.000 3.158 338 V HA 0.775 4.912 4.120 0.029 0.000 0.315 338 V C -0.835 175.253 176.094 -0.010 0.000 1.148 338 V CA -1.410 60.880 62.300 -0.015 0.000 1.042 338 V CB 2.309 34.112 31.823 -0.033 0.000 1.101 338 V HN 0.866 nan 8.190 nan 0.000 0.448 339 N N 0.191 118.882 118.700 -0.014 0.000 2.258 339 N HA 0.363 5.120 4.740 0.029 0.000 0.299 339 N C -0.876 174.620 175.510 -0.024 0.000 1.047 339 N CA -0.889 52.154 53.050 -0.012 0.000 0.814 339 N CB 2.623 41.108 38.487 -0.004 0.000 1.413 339 N HN 0.958 nan 8.380 nan 0.000 0.478 340 K N 1.183 121.570 120.400 -0.021 0.000 2.469 340 K HA 0.040 4.377 4.320 0.029 0.000 0.274 340 K C -0.937 175.639 176.600 -0.041 0.000 0.983 340 K CA 0.030 56.301 56.287 -0.027 0.000 0.974 340 K CB 0.297 32.787 32.500 -0.016 0.000 0.913 340 K HN 0.696 nan 8.250 nan 0.000 0.493 341 N N 0.724 119.396 118.700 -0.047 0.000 2.371 341 N HA 0.127 4.885 4.740 0.029 0.000 0.280 341 N C -1.699 173.776 175.510 -0.058 0.000 1.084 341 N CA -0.533 52.483 53.050 -0.057 0.000 0.892 341 N CB 2.020 40.473 38.487 -0.055 0.000 1.653 341 N HN 0.634 nan 8.380 nan 0.000 0.480 342 T N 2.827 117.342 114.554 -0.065 0.000 2.928 342 T HA 0.230 4.597 4.350 0.029 0.000 0.305 342 T C 0.543 175.205 174.700 -0.063 0.000 1.035 342 T CA 0.116 62.182 62.100 -0.057 0.000 1.145 342 T CB -0.262 68.571 68.868 -0.060 0.000 0.963 342 T HN 0.421 nan 8.240 nan 0.000 0.545 343 I N 0.782 121.312 120.570 -0.068 0.000 2.676 343 I HA 0.598 4.785 4.170 0.029 0.000 0.309 343 I C -2.780 173.258 176.117 -0.132 0.000 0.990 343 I CA -3.509 57.723 61.300 -0.112 0.000 1.168 343 I CB 0.917 38.846 38.000 -0.118 0.000 1.343 343 I HN 0.275 nan 8.210 nan 0.000 0.482 344 P HA 0.036 nan 4.420 nan 0.000 0.264 344 P C -1.236 175.984 177.300 -0.134 0.000 1.193 344 P CA 0.650 63.501 63.100 -0.414 0.000 0.763 344 P CB -0.181 31.289 31.700 -0.383 0.000 0.810 345 Y N -0.620 119.605 120.300 -0.125 0.000 3.929 345 Y HA -0.261 4.306 4.550 0.029 0.000 0.225 345 Y C 0.800 176.708 175.900 0.014 0.000 1.200 345 Y CA 0.322 58.431 58.100 0.015 0.000 1.791 345 Y CB -2.368 36.102 38.460 0.016 0.000 1.561 345 Y HN 0.397 nan 8.280 nan 0.000 0.657 346 D N 2.091 122.534 120.400 0.071 0.000 2.450 346 D HA 0.027 4.684 4.640 0.029 0.000 0.247 346 D C -0.778 175.561 176.300 0.064 0.000 1.162 346 D CA -0.939 53.090 54.000 0.050 0.000 0.879 346 D CB 1.109 41.916 40.800 0.011 0.000 1.163 346 D HN 0.168 nan 8.370 nan 0.000 0.472 347 P HA -0.019 nan 4.420 nan 0.000 0.229 347 P C 0.038 177.366 177.300 0.047 0.000 1.160 347 P CA 0.587 63.722 63.100 0.058 0.000 0.777 347 P CB 0.602 32.333 31.700 0.052 0.000 0.814 348 E N 0.488 120.712 120.200 0.041 0.000 2.250 348 E HA 0.250 4.617 4.350 0.029 0.000 0.265 348 E C 0.454 177.080 176.600 0.044 0.000 1.033 348 E CA -0.431 55.994 56.400 0.042 0.000 0.888 348 E CB 1.050 30.773 29.700 0.037 0.000 1.151 348 E HN 0.068 nan 8.360 nan 0.000 0.412 349 S N 0.691 116.429 115.700 0.064 0.000 2.593 349 S HA 0.138 4.625 4.470 0.029 0.000 0.269 349 S C -1.644 172.990 174.600 0.057 0.000 1.334 349 S CA -1.020 57.232 58.200 0.087 0.000 1.015 349 S CB 0.899 64.194 63.200 0.158 0.000 0.912 349 S HN 0.251 nan 8.310 nan 0.000 0.541 350 P HA -0.061 nan 4.420 nan 0.000 0.223 350 P C 0.627 177.777 177.300 -0.250 0.000 1.144 350 P CA 1.098 64.097 63.100 -0.168 0.000 0.783 350 P CB -0.205 31.315 31.700 -0.299 0.000 0.771 351 F N -1.438 118.504 119.950 -0.014 0.000 2.789 351 F HA 0.016 4.560 4.527 0.029 0.000 0.300 351 F C 2.139 177.935 175.800 -0.006 0.000 1.132 351 F CA 0.410 58.403 58.000 -0.011 0.000 1.404 351 F CB -0.127 38.867 39.000 -0.010 0.000 1.114 351 F HN -0.254 nan 8.300 nan 0.000 0.584 352 V N -1.996 117.999 119.914 0.136 0.000 2.950 352 V HA 0.139 4.276 4.120 0.029 0.000 0.231 352 V C 0.606 176.724 176.094 0.039 0.000 1.205 352 V CA 0.831 63.181 62.300 0.082 0.000 1.239 352 V CB -0.074 31.795 31.823 0.077 0.000 1.050 352 V HN 0.361 nan 8.190 nan 0.000 0.498 353 T N -0.721 113.848 114.554 0.026 0.000 0.541 353 T HA -0.230 4.137 4.350 0.029 0.000 0.774 353 T C 0.179 174.884 174.700 0.009 0.000 0.992 353 T CA 0.407 62.508 62.100 0.003 0.000 4.077 353 T CB -1.452 67.404 68.868 -0.021 0.000 2.303 353 T HN 0.357 nan 8.240 nan 0.000 0.398 354 S N 1.041 116.742 115.700 0.001 0.000 2.593 354 S HA 0.592 5.079 4.470 0.029 0.000 0.236 354 S C 0.754 175.352 174.600 -0.003 0.000 0.991 354 S CA -0.029 58.175 58.200 0.008 0.000 0.963 354 S CB 0.651 63.860 63.200 0.014 0.000 0.865 354 S HN 1.252 nan 8.310 nan 0.000 0.488 355 G N 1.520 110.308 108.800 -0.019 0.000 2.695 355 G HA2 0.712 4.689 3.960 0.029 0.000 0.290 355 G HA3 0.712 4.689 3.960 0.029 0.000 0.290 355 G C -1.355 173.518 174.900 -0.045 0.000 1.410 355 G CA -0.885 44.194 45.100 -0.036 0.000 0.844 355 G HN 0.299 nan 8.290 nan 0.000 0.478 356 I N -1.965 118.566 120.570 -0.064 0.000 2.608 356 I HA 0.753 4.940 4.170 0.029 0.000 0.295 356 I C -0.389 175.681 176.117 -0.078 0.000 1.049 356 I CA -1.214 60.044 61.300 -0.069 0.000 1.063 356 I CB 2.510 40.462 38.000 -0.080 0.000 1.248 356 I HN 0.440 nan 8.210 nan 0.000 0.424 357 R N 5.730 126.192 120.500 -0.064 0.000 2.312 357 R HA 0.744 5.101 4.340 0.029 0.000 0.311 357 R C -1.541 174.723 176.300 -0.060 0.000 1.004 357 R CA -0.524 55.536 56.100 -0.068 0.000 0.902 357 R CB 1.221 31.488 30.300 -0.055 0.000 1.073 357 R HN 0.799 nan 8.270 nan 0.000 0.457 358 I N 2.746 123.271 120.570 -0.074 0.000 2.545 358 I HA 0.464 4.652 4.170 0.029 0.000 0.292 358 I C 0.134 176.214 176.117 -0.062 0.000 1.040 358 I CA -0.756 60.508 61.300 -0.060 0.000 1.068 358 I CB 2.428 40.385 38.000 -0.071 0.000 1.251 358 I HN 0.747 nan 8.210 nan 0.000 0.424 359 G N 1.353 110.140 108.800 -0.023 0.000 2.574 359 G HA2 0.508 4.485 3.960 0.029 0.000 0.299 359 G HA3 0.508 4.485 3.960 0.029 0.000 0.299 359 G C 0.151 175.067 174.900 0.028 0.000 1.298 359 G CA -0.283 44.820 45.100 0.005 0.000 0.952 359 G HN 0.594 nan 8.290 nan 0.000 0.477 360 T N -2.202 112.383 114.554 0.050 0.000 3.054 360 T HA 0.357 4.724 4.350 0.029 0.000 0.255 360 T C 2.183 176.910 174.700 0.045 0.000 1.035 360 T CA 1.208 63.333 62.100 0.041 0.000 0.941 360 T CB 0.601 69.490 68.868 0.035 0.000 1.026 360 T HN 0.709 nan 8.240 nan 0.000 0.533 361 A N 2.045 124.908 122.820 0.072 0.000 1.883 361 A HA 0.221 4.558 4.320 0.029 0.000 0.217 361 A C 2.726 180.373 177.584 0.105 0.000 1.186 361 A CA 1.935 54.025 52.037 0.090 0.000 0.624 361 A CB -1.405 17.651 19.000 0.095 0.000 0.822 361 A HN 0.732 nan 8.150 nan 0.000 0.444 362 A N -0.186 122.615 122.820 -0.033 0.000 1.873 362 A HA 0.005 4.342 4.320 0.029 0.000 0.215 362 A C 2.332 179.943 177.584 0.047 0.000 1.186 362 A CA 2.329 54.262 52.037 -0.174 0.000 0.616 362 A CB -1.304 17.424 19.000 -0.454 0.000 0.823 362 A HN 1.149 nan 8.150 nan 0.000 0.442 363 V N -2.643 117.243 119.914 -0.047 0.000 2.515 363 V HA -0.151 3.986 4.120 0.029 0.000 0.250 363 V C 2.143 178.204 176.094 -0.055 0.000 1.058 363 V CA 2.565 64.713 62.300 -0.253 0.000 1.064 363 V CB -1.806 29.791 31.823 -0.376 0.000 0.675 363 V HN 0.412 nan 8.190 nan 0.000 0.461 364 T N 0.608 115.229 114.554 0.111 0.000 2.821 364 T HA -0.131 4.236 4.350 0.029 0.000 0.267 364 T C 1.954 176.853 174.700 0.331 0.000 1.046 364 T CA 2.130 64.357 62.100 0.212 0.000 1.139 364 T CB -0.567 68.369 68.868 0.113 0.000 0.871 364 T HN 0.649 nan 8.240 nan 0.000 0.454 365 T N 2.579 117.358 114.554 0.375 0.000 2.720 365 T HA -0.151 4.216 4.350 0.029 0.000 0.268 365 T C 1.949 176.746 174.700 0.162 0.000 1.037 365 T CA 1.324 63.563 62.100 0.230 0.000 1.144 365 T CB -0.245 68.742 68.868 0.197 0.000 0.864 365 T HN 0.584 nan 8.240 nan 0.000 0.444 366 R N 1.159 121.746 120.500 0.145 0.000 2.323 366 R HA 0.267 4.624 4.340 0.029 0.000 0.198 366 R C 1.495 177.876 176.300 0.136 0.000 0.988 366 R CA 0.813 56.938 56.100 0.042 0.000 1.041 366 R CB -0.142 30.080 30.300 -0.129 0.000 0.926 366 R HN 0.402 nan 8.270 nan 0.000 0.476 367 G N 0.253 109.176 108.800 0.205 0.000 2.168 367 G HA2 -0.229 3.749 3.960 0.029 0.000 0.197 367 G HA3 -0.229 3.749 3.960 0.029 0.000 0.197 367 G C -0.062 175.042 174.900 0.340 0.000 0.997 367 G CA -0.501 44.741 45.100 0.237 0.000 0.658 367 G HN 0.292 nan 8.290 nan 0.000 0.513 368 F N 1.159 121.148 119.950 0.065 0.000 2.529 368 F HA 0.433 4.979 4.527 0.031 0.000 0.365 368 F C 1.500 177.325 175.800 0.042 0.000 1.102 368 F CA 0.349 58.377 58.000 0.047 0.000 1.271 368 F CB 0.993 40.023 39.000 0.050 0.000 1.120 368 F HN 0.218 nan 8.300 nan 0.000 0.579 369 G N 2.470 111.343 108.800 0.121 0.000 3.209 369 G HA2 0.416 4.393 3.960 0.029 0.000 0.236 369 G HA3 0.416 4.393 3.960 0.029 0.000 0.236 369 G C 0.533 175.456 174.900 0.038 0.000 1.329 369 G CA -0.818 44.324 45.100 0.069 0.000 1.015 369 G HN 0.590 nan 8.290 nan 0.000 0.571 370 L N -0.108 121.127 121.223 0.020 0.000 2.083 370 L HA -0.052 4.305 4.340 0.029 0.000 0.209 370 L C 2.781 179.649 176.870 -0.003 0.000 1.083 370 L CA 1.051 55.899 54.840 0.013 0.000 0.752 370 L CB -0.271 41.793 42.059 0.009 0.000 0.899 370 L HN 0.388 nan 8.230 nan 0.000 0.433 371 E N 0.382 120.568 120.200 -0.024 0.000 2.110 371 E HA -0.214 4.153 4.350 0.029 0.000 0.193 371 E C 2.101 178.658 176.600 -0.071 0.000 0.988 371 E CA 1.162 57.536 56.400 -0.043 0.000 0.804 371 E CB -0.127 29.542 29.700 -0.052 0.000 0.745 371 E HN 0.482 nan 8.360 nan 0.000 0.458 372 E N 0.157 120.285 120.200 -0.119 0.000 2.106 372 E HA -0.101 4.266 4.350 0.029 0.000 0.192 372 E C 1.982 178.557 176.600 -0.043 0.000 0.984 372 E CA 0.809 57.087 56.400 -0.204 0.000 0.806 372 E CB -0.131 29.270 29.700 -0.498 0.000 0.750 372 E HN 0.137 nan 8.360 nan 0.000 0.458 373 M N 0.756 120.370 119.600 0.023 0.000 2.117 373 M HA -0.148 4.349 4.480 0.029 0.000 0.262 373 M C 1.370 177.690 176.300 0.034 0.000 1.065 373 M CA 1.395 56.728 55.300 0.056 0.000 1.114 373 M CB -0.935 31.697 32.600 0.053 0.000 1.361 373 M HN 0.045 nan 8.290 nan 0.000 0.408 374 D N 0.177 120.586 120.400 0.015 0.000 2.123 374 D HA -0.184 4.473 4.640 0.029 0.000 0.196 374 D C 2.014 178.324 176.300 0.017 0.000 0.992 374 D CA 1.397 55.407 54.000 0.016 0.000 0.833 374 D CB -0.199 40.604 40.800 0.004 0.000 0.954 374 D HN 0.399 nan 8.370 nan 0.000 0.455 375 E N 0.549 120.749 120.200 -0.000 0.000 2.072 375 E HA -0.066 4.302 4.350 0.029 0.000 0.190 375 E C 2.142 178.758 176.600 0.027 0.000 0.982 375 E CA 0.590 56.990 56.400 0.000 0.000 0.803 375 E CB -0.371 29.308 29.700 -0.036 0.000 0.755 375 E HN 0.258 nan 8.360 nan 0.000 0.453 376 I N 0.671 121.266 120.570 0.042 0.000 2.151 376 I HA -0.324 3.864 4.170 0.029 0.000 0.243 376 I C 2.396 178.545 176.117 0.055 0.000 1.080 376 I CA 1.326 62.668 61.300 0.069 0.000 1.339 376 I CB -0.441 37.624 38.000 0.108 0.000 1.039 376 I HN 0.230 nan 8.210 nan 0.000 0.409 377 A N 0.542 123.394 122.820 0.054 0.000 1.902 377 A HA -0.164 4.173 4.320 0.029 0.000 0.217 377 A C 2.529 180.175 177.584 0.103 0.000 1.181 377 A CA 1.856 53.934 52.037 0.069 0.000 0.623 377 A CB -0.849 18.195 19.000 0.073 0.000 0.818 377 A HN 0.448 nan 8.150 nan 0.000 0.443 378 A N -0.086 122.780 122.820 0.077 0.000 1.902 378 A HA -0.066 4.271 4.320 0.029 0.000 0.217 378 A C 2.107 179.737 177.584 0.077 0.000 1.181 378 A CA 1.512 53.593 52.037 0.073 0.000 0.623 378 A CB -0.586 18.440 19.000 0.044 0.000 0.818 378 A HN 0.506 nan 8.150 nan 0.000 0.443 379 I N -0.376 120.232 120.570 0.065 0.000 2.202 379 I HA -0.246 3.941 4.170 0.029 0.000 0.242 379 I C 2.286 178.449 176.117 0.077 0.000 1.091 379 I CA 1.284 62.621 61.300 0.061 0.000 1.368 379 I CB -0.357 37.673 38.000 0.051 0.000 1.058 379 I HN 0.283 nan 8.210 nan 0.000 0.410 380 I N 0.850 121.466 120.570 0.077 0.000 2.208 380 I HA -0.258 3.929 4.170 0.029 0.000 0.245 380 I C 2.695 178.938 176.117 0.209 0.000 1.097 380 I CA 1.734 63.076 61.300 0.071 0.000 1.363 380 I CB -0.975 37.001 38.000 -0.041 0.000 1.051 380 I HN 0.299 nan 8.210 nan 0.000 0.413 381 G N 1.085 110.068 108.800 0.305 0.000 2.459 381 G HA2 -0.297 3.681 3.960 0.029 0.000 0.217 381 G HA3 -0.297 3.681 3.960 0.029 0.000 0.217 381 G C 1.656 176.653 174.900 0.162 0.000 1.183 381 G CA 0.923 46.221 45.100 0.329 0.000 0.776 381 G HN 0.293 nan 8.290 nan 0.000 0.552 382 L N 0.662 121.950 121.223 0.109 0.000 2.042 382 L HA -0.073 4.284 4.340 0.029 0.000 0.210 382 L C 2.920 179.834 176.870 0.072 0.000 1.076 382 L CA 1.624 56.505 54.840 0.069 0.000 0.749 382 L CB -0.486 41.605 42.059 0.053 0.000 0.893 382 L HN 0.101 nan 8.230 nan 0.000 0.432 383 V N -0.370 119.595 119.914 0.086 0.000 2.244 383 V HA -0.286 3.852 4.120 0.029 0.000 0.244 383 V C 2.447 178.595 176.094 0.091 0.000 1.042 383 V CA 2.113 64.458 62.300 0.075 0.000 1.006 383 V CB -0.554 31.306 31.823 0.063 0.000 0.641 383 V HN 0.436 nan 8.190 nan 0.000 0.446 384 L N -0.655 120.656 121.223 0.147 0.000 2.291 384 L HA -0.075 4.282 4.340 0.029 0.000 0.214 384 L C 2.262 179.211 176.870 0.132 0.000 1.120 384 L CA 1.221 56.165 54.840 0.173 0.000 0.799 384 L CB -0.475 41.767 42.059 0.304 0.000 0.925 384 L HN 0.309 nan 8.230 nan 0.000 0.446 385 K N 0.234 120.691 120.400 0.096 0.000 2.426 385 K HA 0.056 4.393 4.320 0.029 0.000 0.193 385 K C -0.081 176.534 176.600 0.025 0.000 1.028 385 K CA 0.309 56.613 56.287 0.028 0.000 1.047 385 K CB 0.198 32.686 32.500 -0.020 0.000 0.821 385 K HN 0.311 nan 8.250 nan 0.000 0.513 386 N N -0.046 118.677 118.700 0.038 0.000 2.672 386 N HA 0.050 4.807 4.740 0.029 0.000 0.295 386 N C 0.198 175.727 175.510 0.033 0.000 1.924 386 N CA -0.109 52.959 53.050 0.029 0.000 0.851 386 N CB 1.455 39.957 38.487 0.025 0.000 1.281 386 N HN -0.210 nan 8.380 nan 0.000 0.494 387 V N -0.497 119.438 119.914 0.036 0.000 2.626 387 V HA -0.077 4.060 4.120 0.029 0.000 0.252 387 V C 2.057 178.167 176.094 0.027 0.000 1.067 387 V CA 2.104 64.425 62.300 0.035 0.000 1.081 387 V CB -0.334 31.512 31.823 0.038 0.000 0.686 387 V HN 0.636 nan 8.190 nan 0.000 0.468 388 G N -1.094 107.719 108.800 0.023 0.000 3.042 388 G HA2 0.044 4.021 3.960 0.029 0.000 0.212 388 G HA3 0.044 4.021 3.960 0.029 0.000 0.212 388 G C 0.623 175.533 174.900 0.016 0.000 1.166 388 G CA 0.615 45.725 45.100 0.018 0.000 0.767 388 G HN 0.433 nan 8.290 nan 0.000 0.546 389 S N 0.364 116.075 115.700 0.018 0.000 2.461 389 S HA 0.318 4.805 4.470 0.029 0.000 0.322 389 S C 1.026 175.636 174.600 0.017 0.000 1.063 389 S CA -0.567 57.643 58.200 0.016 0.000 1.120 389 S CB 0.926 64.136 63.200 0.016 0.000 0.968 389 S HN 0.157 nan 8.310 nan 0.000 0.467 390 E N 3.516 123.725 120.200 0.015 0.000 2.204 390 E HA -0.176 4.191 4.350 0.029 0.000 0.194 390 E C 2.053 178.662 176.600 0.016 0.000 0.989 390 E CA 1.071 57.480 56.400 0.016 0.000 0.824 390 E CB -0.016 29.692 29.700 0.014 0.000 0.756 390 E HN 0.973 nan 8.360 nan 0.000 0.477 391 Q N 0.128 119.937 119.800 0.014 0.000 2.123 391 Q HA 0.026 4.383 4.340 0.029 0.000 0.199 391 Q C 2.120 178.129 176.000 0.016 0.000 0.966 391 Q CA 1.362 57.173 55.803 0.014 0.000 0.845 391 Q CB -0.314 28.431 28.738 0.012 0.000 0.907 391 Q HN 0.116 nan 8.270 nan 0.000 0.439 392 A N 1.911 124.742 122.820 0.018 0.000 1.902 392 A HA -0.075 4.262 4.320 0.029 0.000 0.217 392 A C 2.226 179.825 177.584 0.025 0.000 1.181 392 A CA 1.160 53.210 52.037 0.021 0.000 0.623 392 A CB -0.647 18.367 19.000 0.023 0.000 0.818 392 A HN 0.373 nan 8.150 nan 0.000 0.443 393 L N -1.004 120.234 121.223 0.024 0.000 2.141 393 L HA -0.143 4.214 4.340 0.029 0.000 0.209 393 L C 2.604 179.488 176.870 0.024 0.000 1.094 393 L CA 1.570 56.426 54.840 0.026 0.000 0.763 393 L CB -0.459 41.614 42.059 0.024 0.000 0.908 393 L HN 0.434 nan 8.230 nan 0.000 0.437 394 E N 0.782 120.994 120.200 0.021 0.000 2.106 394 E HA -0.249 4.118 4.350 0.029 0.000 0.192 394 E C 2.006 178.618 176.600 0.020 0.000 0.984 394 E CA 1.311 57.723 56.400 0.019 0.000 0.806 394 E CB 0.027 29.737 29.700 0.016 0.000 0.750 394 E HN 0.406 nan 8.360 nan 0.000 0.458 395 E N -0.341 119.871 120.200 0.020 0.000 2.051 395 E HA -0.217 4.150 4.350 0.029 0.000 0.192 395 E C 1.943 178.557 176.600 0.023 0.000 0.991 395 E CA 1.152 57.564 56.400 0.020 0.000 0.799 395 E CB -0.258 29.454 29.700 0.018 0.000 0.748 395 E HN 0.312 nan 8.360 nan 0.000 0.449 396 A N 1.462 124.299 122.820 0.027 0.000 1.908 396 A HA -0.221 4.116 4.320 0.029 0.000 0.218 396 A C 2.228 179.831 177.584 0.032 0.000 1.181 396 A CA 1.694 53.750 52.037 0.032 0.000 0.627 396 A CB -0.627 18.395 19.000 0.036 0.000 0.818 396 A HN 0.239 nan 8.150 nan 0.000 0.445 397 R N -0.612 119.906 120.500 0.029 0.000 2.091 397 R HA -0.188 4.169 4.340 0.029 0.000 0.238 397 R C 2.407 178.725 176.300 0.029 0.000 1.136 397 R CA 1.939 58.057 56.100 0.029 0.000 0.959 397 R CB -0.262 30.053 30.300 0.026 0.000 0.856 397 R HN 0.719 nan 8.270 nan 0.000 0.437 398 Q N -0.650 119.165 119.800 0.025 0.000 2.119 398 Q HA -0.123 4.234 4.340 0.029 0.000 0.201 398 Q C 2.145 178.160 176.000 0.024 0.000 0.972 398 Q CA 1.362 57.179 55.803 0.023 0.000 0.847 398 Q CB 0.070 28.819 28.738 0.019 0.000 0.903 398 Q HN 0.300 nan 8.270 nan 0.000 0.433 399 R N -0.279 120.236 120.500 0.024 0.000 2.115 399 R HA -0.063 4.294 4.340 0.029 0.000 0.226 399 R C 2.264 178.582 176.300 0.030 0.000 1.100 399 R CA 0.886 56.999 56.100 0.022 0.000 0.980 399 R CB -0.144 30.169 30.300 0.021 0.000 0.875 399 R HN 0.070 nan 8.270 nan 0.000 0.445 400 V N 1.025 120.964 119.914 0.042 0.000 2.343 400 V HA -0.248 3.889 4.120 0.029 0.000 0.247 400 V C 2.416 178.546 176.094 0.060 0.000 1.051 400 V CA 2.023 64.359 62.300 0.060 0.000 1.036 400 V CB -0.671 31.187 31.823 0.058 0.000 0.654 400 V HN 0.405 nan 8.190 nan 0.000 0.451 401 A N -0.002 122.846 122.820 0.047 0.000 1.933 401 A HA -0.141 4.196 4.320 0.029 0.000 0.218 401 A C 2.423 180.033 177.584 0.042 0.000 1.175 401 A CA 2.101 54.166 52.037 0.046 0.000 0.628 401 A CB -0.773 18.250 19.000 0.039 0.000 0.814 401 A HN 0.583 nan 8.150 nan 0.000 0.444 402 A N -0.451 122.386 122.820 0.029 0.000 1.933 402 A HA -0.039 4.298 4.320 0.029 0.000 0.218 402 A C 2.164 179.750 177.584 0.004 0.000 1.175 402 A CA 1.506 53.552 52.037 0.014 0.000 0.628 402 A CB -0.519 18.482 19.000 0.002 0.000 0.814 402 A HN 0.480 nan 8.150 nan 0.000 0.444 403 L N -0.407 120.822 121.223 0.011 0.000 2.109 403 L HA -0.102 4.255 4.340 0.029 0.000 0.207 403 L C 2.669 179.597 176.870 0.098 0.000 1.086 403 L CA 1.701 56.534 54.840 -0.013 0.000 0.760 403 L CB -0.407 41.664 42.059 0.020 0.000 0.910 403 L HN 0.630 nan 8.230 nan 0.000 0.437 404 T N -4.190 110.434 114.554 0.118 0.000 3.107 404 T HA 0.043 4.410 4.350 0.029 0.000 0.249 404 T C 0.515 175.235 174.700 0.033 0.000 1.096 404 T CA -0.022 62.115 62.100 0.063 0.000 1.012 404 T CB -0.074 68.790 68.868 -0.007 0.000 0.977 404 T HN 0.485 nan 8.240 nan 0.000 0.527 405 D N 0.000 120.444 120.400 0.073 0.000 6.856 405 D HA 0.000 4.657 4.640 0.029 0.000 0.175 405 D CA 0.000 54.058 54.000 0.097 0.000 0.868 405 D CB 0.000 40.876 40.800 0.127 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683