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 2vmx_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 ASAYPRIIDF 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 GVTSGIRIGT 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 0.000 176.195 176.300 -0.174 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 K N 0.816 121.075 120.400 -0.235 0.000 2.325 2 K HA 0.217 4.554 4.320 0.028 0.000 0.203 2 K C 0.702 176.977 176.600 -0.542 0.000 1.128 2 K CA 0.763 56.772 56.287 -0.464 0.000 0.931 2 K CB 0.490 32.584 32.500 -0.678 0.000 1.125 2 K HN 0.648 nan 8.250 nan 0.000 0.487 3 Y N 0.392 120.615 120.300 -0.128 0.000 2.389 3 Y HA 0.024 4.578 4.550 0.005 0.000 0.292 3 Y C 1.856 177.675 175.900 -0.135 0.000 1.117 3 Y CA 0.118 58.150 58.100 -0.114 0.000 1.195 3 Y CB -0.098 38.317 38.460 -0.076 0.000 1.076 3 Y HN 0.024 nan 8.280 nan 0.000 0.548 4 L N 1.429 122.643 121.223 -0.015 0.000 2.042 4 L HA -0.076 4.281 4.340 0.028 0.000 0.210 4 L C -0.901 175.848 176.870 -0.202 0.000 1.076 4 L CA 1.964 56.773 54.840 -0.052 0.000 0.749 4 L CB -1.579 40.497 42.059 0.027 0.000 0.893 4 L HN 0.002 nan 8.230 nan 0.000 0.432 5 P HA -0.204 nan 4.420 nan 0.000 0.216 5 P C 1.452 178.593 177.300 -0.265 0.000 1.150 5 P CA 1.333 63.993 63.100 -0.733 0.000 0.837 5 P CB 0.062 31.130 31.700 -1.054 0.000 0.786 6 Q N -0.308 119.374 119.800 -0.197 0.000 2.062 6 Q HA -0.186 4.171 4.340 0.028 0.000 0.196 6 Q C 2.349 178.328 176.000 -0.036 0.000 0.967 6 Q CA 1.589 57.337 55.803 -0.092 0.000 0.832 6 Q CB -0.854 27.839 28.738 -0.075 0.000 0.899 6 Q HN 0.016 nan 8.270 nan 0.000 0.442 7 Q N 0.248 120.038 119.800 -0.017 0.000 2.083 7 Q HA -0.061 4.295 4.340 0.028 0.000 0.198 7 Q C -0.339 175.667 176.000 0.011 0.000 0.969 7 Q CA 1.671 57.478 55.803 0.007 0.000 0.838 7 Q CB 0.226 28.977 28.738 0.021 0.000 0.900 7 Q HN 0.232 nan 8.270 nan 0.000 0.436 8 D N -1.228 119.184 120.400 0.019 0.000 2.405 8 D HA 0.222 4.878 4.640 0.028 0.000 0.264 8 D C -2.239 174.113 176.300 0.087 0.000 1.240 8 D CA -1.812 52.215 54.000 0.046 0.000 0.893 8 D CB 1.316 42.147 40.800 0.051 0.000 1.198 8 D HN -0.016 nan 8.370 nan 0.000 0.514 9 P HA -0.145 nan 4.420 nan 0.000 0.216 9 P C 1.430 178.810 177.300 0.132 0.000 1.150 9 P CA 1.194 64.369 63.100 0.125 0.000 0.837 9 P CB 0.554 32.300 31.700 0.076 0.000 0.786 10 Q N -0.762 119.086 119.800 0.081 0.000 2.020 10 Q HA -0.112 4.245 4.340 0.028 0.000 0.202 10 Q C 2.136 178.171 176.000 0.059 0.000 0.982 10 Q CA 1.421 57.258 55.803 0.056 0.000 0.838 10 Q CB -0.831 27.928 28.738 0.036 0.000 0.899 10 Q HN 0.103 nan 8.270 nan 0.000 0.423 11 V N 0.537 120.497 119.914 0.076 0.000 2.358 11 V HA -0.236 3.901 4.120 0.028 0.000 0.246 11 V C 1.941 178.098 176.094 0.104 0.000 1.047 11 V CA 1.682 64.026 62.300 0.073 0.000 1.035 11 V CB -0.598 31.267 31.823 0.070 0.000 0.658 11 V HN 0.313 nan 8.190 nan 0.000 0.452 12 F N 1.640 121.591 119.950 0.000 0.000 2.134 12 F HA -0.156 4.377 4.527 0.011 0.000 0.299 12 F C 2.282 178.080 175.800 -0.003 0.000 1.097 12 F CA 1.342 59.341 58.000 -0.001 0.000 1.264 12 F CB -0.663 38.335 39.000 -0.003 0.000 1.001 12 F HN 0.077 nan 8.300 nan 0.000 0.479 13 A N 0.364 123.141 122.820 -0.071 0.000 1.908 13 A HA -0.088 4.248 4.320 0.028 0.000 0.218 13 A C 2.435 179.916 177.584 -0.171 0.000 1.181 13 A CA 2.004 53.943 52.037 -0.163 0.000 0.627 13 A CB -1.577 17.404 19.000 -0.031 0.000 0.818 13 A HN 0.510 nan 8.150 nan 0.000 0.445 14 A N -0.212 122.550 122.820 -0.096 0.000 1.898 14 A HA -0.031 4.306 4.320 0.028 0.000 0.216 14 A C 2.126 179.651 177.584 -0.098 0.000 1.181 14 A CA 1.409 53.402 52.037 -0.073 0.000 0.620 14 A CB -0.572 18.409 19.000 -0.031 0.000 0.819 14 A HN 0.486 nan 8.150 nan 0.000 0.442 15 I N -0.310 120.190 120.570 -0.118 0.000 2.163 15 I HA -0.232 3.955 4.170 0.028 0.000 0.243 15 I C 2.470 178.475 176.117 -0.187 0.000 1.085 15 I CA 1.308 62.538 61.300 -0.116 0.000 1.347 15 I CB -0.327 37.635 38.000 -0.064 0.000 1.044 15 I HN 0.305 nan 8.210 nan 0.000 0.408 16 E N 0.592 120.576 120.200 -0.361 0.000 2.110 16 E HA -0.245 4.122 4.350 0.028 0.000 0.193 16 E C 2.155 178.638 176.600 -0.194 0.000 0.988 16 E CA 1.212 57.395 56.400 -0.361 0.000 0.804 16 E CB -0.264 29.077 29.700 -0.599 0.000 0.745 16 E HN 0.600 nan 8.360 nan 0.000 0.458 17 Q N 0.314 120.020 119.800 -0.157 0.000 2.061 17 Q HA -0.213 4.143 4.340 0.028 0.000 0.204 17 Q C 2.165 178.131 176.000 -0.056 0.000 0.984 17 Q CA 1.649 57.400 55.803 -0.087 0.000 0.846 17 Q CB -0.129 28.569 28.738 -0.067 0.000 0.902 17 Q HN 0.098 nan 8.270 nan 0.000 0.421 18 E N 1.115 121.283 120.200 -0.055 0.000 2.077 18 E HA -0.204 4.163 4.350 0.028 0.000 0.193 18 E C 1.828 178.422 176.600 -0.009 0.000 0.989 18 E CA 1.375 57.762 56.400 -0.021 0.000 0.800 18 E CB -0.080 29.610 29.700 -0.016 0.000 0.746 18 E HN 0.170 nan 8.360 nan 0.000 0.452 19 R N 0.181 120.660 120.500 -0.035 0.000 2.083 19 R HA -0.150 4.207 4.340 0.028 0.000 0.237 19 R C 2.192 178.481 176.300 -0.019 0.000 1.137 19 R CA 2.033 58.115 56.100 -0.030 0.000 0.951 19 R CB -0.082 30.183 30.300 -0.059 0.000 0.851 19 R HN 0.084 nan 8.270 nan 0.000 0.434 20 K N -0.347 120.035 120.400 -0.030 0.000 2.097 20 K HA -0.135 4.201 4.320 0.028 0.000 0.205 20 K C 2.262 178.887 176.600 0.042 0.000 1.050 20 K CA 1.129 57.413 56.287 -0.004 0.000 0.938 20 K CB -0.163 32.320 32.500 -0.029 0.000 0.718 20 K HN 0.134 nan 8.250 nan 0.000 0.442 21 R N 1.542 122.057 120.500 0.024 0.000 2.073 21 R HA -0.176 4.181 4.340 0.028 0.000 0.234 21 R C 2.089 178.421 176.300 0.053 0.000 1.134 21 R CA 1.694 57.815 56.100 0.035 0.000 0.952 21 R CB -0.064 30.251 30.300 0.025 0.000 0.850 21 R HN 0.280 nan 8.270 nan 0.000 0.433 22 Q N -1.242 118.596 119.800 0.063 0.000 2.181 22 Q HA -0.245 4.112 4.340 0.028 0.000 0.205 22 Q C 1.874 177.866 176.000 -0.013 0.000 0.980 22 Q CA 1.951 57.808 55.803 0.090 0.000 0.862 22 Q CB -0.177 28.635 28.738 0.123 0.000 0.905 22 Q HN 0.553 nan 8.270 nan 0.000 0.429 23 H N -0.454 118.554 119.070 -0.103 0.000 2.415 23 H HA 0.110 4.682 4.556 0.027 0.000 0.297 23 H C 1.775 177.073 175.328 -0.049 0.000 1.048 23 H CA 1.278 57.251 56.048 -0.124 0.000 1.365 23 H CB 0.135 29.833 29.762 -0.106 0.000 1.421 23 H HN 0.208 nan 8.280 nan 0.000 0.533 24 A N 0.808 123.628 122.820 0.001 0.000 1.970 24 A HA 0.063 4.400 4.320 0.028 0.000 0.216 24 A C 0.898 178.465 177.584 -0.028 0.000 1.170 24 A CA 0.421 52.452 52.037 -0.010 0.000 0.645 24 A CB 0.049 19.082 19.000 0.054 0.000 0.816 24 A HN 0.146 nan 8.150 nan 0.000 0.447 25 K N -0.149 120.246 120.400 -0.008 0.000 2.087 25 K HA 0.496 4.833 4.320 0.028 0.000 0.255 25 K C -0.729 175.879 176.600 0.014 0.000 0.988 25 K CA -0.431 55.865 56.287 0.016 0.000 0.915 25 K CB 1.073 33.595 32.500 0.035 0.000 1.043 25 K HN 0.225 nan 8.250 nan 0.000 0.457 26 I N 2.142 122.734 120.570 0.036 0.000 2.294 26 I HA 0.006 4.192 4.170 0.028 0.000 0.295 26 I C 0.461 176.597 176.117 0.032 0.000 1.098 26 I CA -0.453 60.872 61.300 0.042 0.000 1.277 26 I CB 0.393 38.451 38.000 0.097 0.000 1.434 26 I HN 0.380 nan 8.210 nan 0.000 0.498 27 E N 7.417 127.636 120.200 0.031 0.000 1.996 27 E HA 0.208 4.575 4.350 0.028 0.000 0.280 27 E C -0.071 176.524 176.600 -0.008 0.000 1.092 27 E CA 0.186 56.605 56.400 0.032 0.000 0.862 27 E CB 0.474 30.229 29.700 0.091 0.000 1.066 27 E HN 0.571 nan 8.360 nan 0.000 0.396 28 L N 5.020 126.241 121.223 -0.003 0.000 2.959 28 L HA 0.356 4.713 4.340 0.028 0.000 0.259 28 L C 0.276 177.144 176.870 -0.003 0.000 1.185 28 L CA -0.391 54.446 54.840 -0.005 0.000 0.998 28 L CB 0.134 42.192 42.059 -0.002 0.000 1.337 28 L HN 0.501 nan 8.230 nan 0.000 0.555 29 I N 1.118 121.685 120.570 -0.005 0.000 2.662 29 I HA -0.075 4.112 4.170 0.028 0.000 0.285 29 I C 1.642 177.781 176.117 0.036 0.000 1.161 29 I CA 0.048 61.356 61.300 0.013 0.000 1.415 29 I CB 1.373 39.378 38.000 0.008 0.000 1.385 29 I HN 0.179 nan 8.210 nan 0.000 0.552 30 A N 4.590 127.461 122.820 0.086 0.000 2.070 30 A HA -0.147 4.190 4.320 0.028 0.000 0.220 30 A C 2.157 179.884 177.584 0.237 0.000 1.159 30 A CA 1.785 53.923 52.037 0.168 0.000 0.656 30 A CB -0.413 18.673 19.000 0.145 0.000 0.800 30 A HN 0.801 nan 8.150 nan 0.000 0.453 31 S N -0.861 114.927 115.700 0.146 0.000 2.593 31 S HA 0.160 4.647 4.470 0.028 0.000 0.217 31 S C 0.428 174.997 174.600 -0.053 0.000 0.966 31 S CA -0.231 57.932 58.200 -0.062 0.000 0.914 31 S CB 0.032 63.211 63.200 -0.035 0.000 0.776 31 S HN 0.621 nan 8.310 nan 0.000 0.523 32 E N 1.124 121.298 120.200 -0.044 0.000 2.250 32 E HA 0.538 4.905 4.350 0.028 0.000 0.265 32 E C -0.551 175.926 176.600 -0.206 0.000 1.033 32 E CA -0.728 55.601 56.400 -0.119 0.000 0.888 32 E CB 0.713 30.320 29.700 -0.156 0.000 1.151 32 E HN 0.159 nan 8.360 nan 0.000 0.412 33 N N 0.026 118.532 118.700 -0.324 0.000 3.179 33 N HA 0.331 5.088 4.740 0.028 0.000 0.250 33 N C -1.939 173.222 175.510 -0.581 0.000 1.507 33 N CA -0.551 52.258 53.050 -0.401 0.000 0.883 33 N CB 0.939 39.367 38.487 -0.098 0.000 1.435 33 N HN 0.199 nan 8.380 nan 0.000 0.532 34 F N 1.123 121.078 119.950 0.008 0.000 2.427 34 F HA 0.364 4.903 4.527 0.020 0.000 0.348 34 F C 0.711 176.501 175.800 -0.016 0.000 1.125 34 F CA -0.880 57.115 58.000 -0.009 0.000 0.989 34 F CB 1.108 40.095 39.000 -0.022 0.000 1.165 34 F HN 0.134 nan 8.300 nan 0.000 0.442 35 V N 0.445 120.448 119.914 0.149 0.000 3.003 35 V HA 0.616 4.753 4.120 0.028 0.000 0.305 35 V C 0.453 176.587 176.094 0.066 0.000 1.078 35 V CA -0.849 61.497 62.300 0.076 0.000 1.083 35 V CB 1.050 32.899 31.823 0.043 0.000 1.039 35 V HN 0.829 nan 8.190 nan 0.000 0.481 36 S N 2.925 118.644 115.700 0.032 0.000 2.600 36 S HA 0.308 4.795 4.470 0.028 0.000 0.265 36 S C 0.921 175.530 174.600 0.014 0.000 1.325 36 S CA -0.088 58.123 58.200 0.018 0.000 1.002 36 S CB 0.617 63.821 63.200 0.006 0.000 0.921 36 S HN 0.763 nan 8.310 nan 0.000 0.554 37 R N 0.877 121.383 120.500 0.009 0.000 2.120 37 R HA -0.057 4.299 4.340 0.028 0.000 0.234 37 R C 2.577 178.879 176.300 0.002 0.000 1.123 37 R CA 1.307 57.411 56.100 0.007 0.000 0.975 37 R CB -0.966 29.337 30.300 0.004 0.000 0.866 37 R HN 0.819 nan 8.270 nan 0.000 0.446 38 A N 0.693 123.512 122.820 -0.002 0.000 1.902 38 A HA -0.124 4.213 4.320 0.028 0.000 0.217 38 A C 2.340 179.914 177.584 -0.017 0.000 1.181 38 A CA 1.395 53.426 52.037 -0.009 0.000 0.623 38 A CB -0.566 18.427 19.000 -0.012 0.000 0.818 38 A HN 0.116 nan 8.150 nan 0.000 0.443 39 V N -0.063 119.839 119.914 -0.020 0.000 2.287 39 V HA -0.339 3.798 4.120 0.028 0.000 0.248 39 V C 2.670 178.751 176.094 -0.022 0.000 1.053 39 V CA 2.376 64.656 62.300 -0.034 0.000 1.027 39 V CB -0.671 31.132 31.823 -0.034 0.000 0.646 39 V HN 0.586 nan 8.190 nan 0.000 0.447 40 M N -0.857 118.741 119.600 -0.004 0.000 2.117 40 M HA -0.201 4.296 4.480 0.028 0.000 0.262 40 M C 2.206 178.511 176.300 0.010 0.000 1.065 40 M CA 1.820 57.124 55.300 0.006 0.000 1.114 40 M CB -0.522 32.089 32.600 0.017 0.000 1.361 40 M HN 0.365 nan 8.290 nan 0.000 0.408 41 E N 0.442 120.645 120.200 0.006 0.000 2.085 41 E HA -0.189 4.177 4.350 0.028 0.000 0.194 41 E C 2.081 178.684 176.600 0.005 0.000 0.994 41 E CA 1.332 57.736 56.400 0.006 0.000 0.801 41 E CB -0.159 29.542 29.700 0.002 0.000 0.743 41 E HN 0.515 nan 8.360 nan 0.000 0.453 42 A N 1.204 124.022 122.820 -0.004 0.000 1.902 42 A HA -0.243 4.094 4.320 0.028 0.000 0.217 42 A C 2.038 179.637 177.584 0.024 0.000 1.181 42 A CA 1.313 53.347 52.037 -0.004 0.000 0.623 42 A CB -0.386 18.595 19.000 -0.030 0.000 0.818 42 A HN 0.191 nan 8.150 nan 0.000 0.443 43 Q N -0.982 118.831 119.800 0.023 0.000 2.224 43 Q HA -0.089 4.268 4.340 0.028 0.000 0.203 43 Q C 1.682 177.753 176.000 0.117 0.000 0.970 43 Q CA 1.073 56.919 55.803 0.072 0.000 0.865 43 Q CB -0.272 28.483 28.738 0.029 0.000 0.922 43 Q HN 0.655 nan 8.270 nan 0.000 0.445 44 G N 1.170 110.001 108.800 0.051 0.000 3.383 44 G HA2 0.055 4.032 3.960 0.028 0.000 0.251 44 G HA3 0.055 4.032 3.960 0.028 0.000 0.251 44 G C 0.292 175.190 174.900 -0.003 0.000 1.203 44 G CA -0.005 45.109 45.100 0.024 0.000 0.852 44 G HN 0.247 nan 8.290 nan 0.000 0.531 45 S N -0.827 114.874 115.700 0.002 0.000 2.693 45 S HA 0.298 4.785 4.470 0.028 0.000 0.276 45 S C 1.551 176.110 174.600 -0.069 0.000 1.192 45 S CA 0.035 58.222 58.200 -0.021 0.000 0.994 45 S CB 1.551 64.751 63.200 0.000 0.000 1.012 45 S HN 0.550 nan 8.310 nan 0.000 0.550 46 V N -0.619 119.254 119.914 -0.067 0.000 3.383 46 V HA 0.020 4.157 4.120 0.028 0.000 0.272 46 V C 1.639 177.675 176.094 -0.096 0.000 1.181 46 V CA 0.912 63.158 62.300 -0.090 0.000 1.171 46 V CB -1.423 30.359 31.823 -0.068 0.000 0.800 46 V HN 0.692 nan 8.190 nan 0.000 0.515 47 L N 0.933 122.117 121.223 -0.065 0.000 2.353 47 L HA -0.079 4.278 4.340 0.028 0.000 0.220 47 L C 2.746 179.559 176.870 -0.095 0.000 1.133 47 L CA 2.259 57.079 54.840 -0.034 0.000 0.798 47 L CB -1.316 40.767 42.059 0.040 0.000 0.922 47 L HN 0.527 nan 8.230 nan 0.000 0.445 48 T N -0.967 113.393 114.554 -0.322 0.000 2.849 48 T HA -0.193 4.173 4.350 0.028 0.000 0.270 48 T C 1.607 176.131 174.700 -0.293 0.000 1.066 48 T CA 1.825 63.582 62.100 -0.572 0.000 1.130 48 T CB -0.372 67.937 68.868 -0.931 0.000 0.864 48 T HN 0.536 nan 8.240 nan 0.000 0.481 49 N N -0.064 118.514 118.700 -0.204 0.000 2.512 49 N HA 0.005 4.762 4.740 0.028 0.000 0.183 49 N C 0.394 175.824 175.510 -0.134 0.000 1.073 49 N CA 0.234 53.196 53.050 -0.146 0.000 0.911 49 N CB 0.119 38.544 38.487 -0.102 0.000 0.964 49 N HN 0.117 nan 8.380 nan 0.000 0.447 50 K N 0.850 121.163 120.400 -0.145 0.000 2.253 50 K HA 0.139 4.476 4.320 0.028 0.000 0.277 50 K C -1.463 174.989 176.600 -0.246 0.000 1.053 50 K CA -0.497 55.707 56.287 -0.138 0.000 0.892 50 K CB 0.106 32.556 32.500 -0.082 0.000 1.102 50 K HN -0.066 nan 8.250 nan 0.000 0.469 51 Y N 2.478 122.564 120.300 -0.355 0.000 2.436 51 Y HA 0.316 4.887 4.550 0.035 0.000 0.336 51 Y C 0.510 175.995 175.900 -0.692 0.000 1.049 51 Y CA 0.422 58.143 58.100 -0.631 0.000 1.294 51 Y CB 1.204 39.028 38.460 -1.062 0.000 1.179 51 Y HN 0.709 nan 8.280 nan 0.000 0.520 52 A N 4.343 127.021 122.820 -0.236 0.000 3.045 52 A HA 0.261 4.597 4.320 0.028 0.000 0.244 52 A C -0.191 177.360 177.584 -0.054 0.000 0.917 52 A CA -0.616 51.371 52.037 -0.083 0.000 1.075 52 A CB -0.315 18.630 19.000 -0.093 0.000 1.202 52 A HN 0.770 nan 8.150 nan 0.000 0.486 53 E N 0.313 120.564 120.200 0.086 0.000 2.442 53 E HA 0.371 4.738 4.350 0.028 0.000 0.262 53 E C 1.006 177.497 176.600 -0.181 0.000 1.004 53 E CA 1.298 57.510 56.400 -0.314 0.000 0.928 53 E CB 0.564 30.067 29.700 -0.328 0.000 0.937 53 E HN 1.088 nan 8.360 nan 0.000 0.446 54 G N 1.464 109.993 108.800 -0.452 0.000 2.472 54 G HA2 -0.218 3.759 3.960 0.028 0.000 0.205 54 G HA3 -0.218 3.759 3.960 0.028 0.000 0.205 54 G C -1.439 173.145 174.900 -0.527 0.000 1.270 54 G CA -0.677 44.352 45.100 -0.119 0.000 0.974 54 G HN 0.447 nan 8.290 nan 0.000 0.542 55 Y N -0.187 120.129 120.300 0.027 0.000 2.609 55 Y HA 0.601 5.168 4.550 0.029 0.000 0.342 55 Y C -2.061 173.840 175.900 0.002 0.000 1.058 55 Y CA -1.826 56.297 58.100 0.038 0.000 1.055 55 Y CB 2.010 40.523 38.460 0.087 0.000 1.292 55 Y HN 0.437 nan 8.280 nan 0.000 0.476 56 P HA 0.022 nan 4.420 nan 0.000 0.260 56 P C 0.633 177.970 177.300 0.061 0.000 1.172 56 P CA 2.234 65.385 63.100 0.085 0.000 0.760 56 P CB 0.195 31.950 31.700 0.092 0.000 0.773 57 G N 3.211 112.020 108.800 0.014 0.000 2.189 57 G HA2 -0.280 3.696 3.960 0.028 0.000 0.267 57 G HA3 -0.280 3.696 3.960 0.028 0.000 0.267 57 G C 0.576 175.464 174.900 -0.021 0.000 0.975 57 G CA -0.154 44.944 45.100 -0.004 0.000 0.644 57 G HN 0.554 nan 8.290 nan 0.000 0.537 58 R N 0.043 120.529 120.500 -0.023 0.000 2.711 58 R HA 0.253 4.610 4.340 0.028 0.000 0.350 58 R C 0.466 176.622 176.300 -0.241 0.000 1.146 58 R CA -0.427 55.621 56.100 -0.088 0.000 1.190 58 R CB 0.324 30.629 30.300 0.008 0.000 1.312 58 R HN 0.286 nan 8.270 nan 0.000 0.635 59 R N -0.038 120.326 120.500 -0.228 0.000 2.549 59 R HA 0.267 4.623 4.340 0.028 0.000 0.267 59 R C 0.367 176.418 176.300 -0.416 0.000 1.045 59 R CA -0.354 55.599 56.100 -0.246 0.000 1.115 59 R CB 0.505 30.780 30.300 -0.041 0.000 1.121 59 R HN 0.125 nan 8.270 nan 0.000 0.543 60 Y N -0.470 119.847 120.300 0.030 0.000 2.524 60 Y HA 0.257 4.822 4.550 0.027 0.000 0.266 60 Y C -0.390 175.300 175.900 -0.350 0.000 1.180 60 Y CA -0.132 57.891 58.100 -0.130 0.000 1.244 60 Y CB 0.207 38.575 38.460 -0.153 0.000 1.125 60 Y HN 0.386 nan 8.280 nan 0.000 0.524 61 Y N -0.834 119.499 120.300 0.056 0.000 2.492 61 Y HA 0.609 5.179 4.550 0.033 0.000 0.346 61 Y C 0.784 176.683 175.900 -0.001 0.000 0.997 61 Y CA -1.867 56.253 58.100 0.034 0.000 1.025 61 Y CB 1.349 39.836 38.460 0.045 0.000 1.263 61 Y HN -0.017 nan 8.280 nan 0.000 0.454 62 G N 0.047 108.936 108.800 0.149 0.000 2.634 62 G HA2 0.393 4.370 3.960 0.028 0.000 0.255 62 G HA3 0.393 4.370 3.960 0.028 0.000 0.255 62 G C 0.821 175.759 174.900 0.064 0.000 1.205 62 G CA -0.035 45.108 45.100 0.071 0.000 0.884 62 G HN 1.449 nan 8.290 nan 0.000 0.549 63 G N -2.085 106.720 108.800 0.007 0.000 2.160 63 G HA2 -0.286 3.690 3.960 0.028 0.000 0.251 63 G HA3 -0.286 3.690 3.960 0.028 0.000 0.251 63 G C 0.852 175.725 174.900 -0.044 0.000 1.008 63 G CA 0.534 45.624 45.100 -0.018 0.000 0.724 63 G HN 0.937 nan 8.290 nan 0.000 0.514 64 C N 0.171 119.438 119.300 -0.055 0.000 2.625 64 C HA 0.332 4.809 4.460 0.028 0.000 0.285 64 C C 2.259 177.169 174.990 -0.133 0.000 1.279 64 C CA 0.380 59.362 59.018 -0.059 0.000 1.698 64 C CB -0.591 27.137 27.740 -0.020 0.000 1.821 64 C HN 0.652 nan 8.230 nan 0.000 0.600 65 E N 0.779 120.806 120.200 -0.290 0.000 2.097 65 E HA -0.209 4.157 4.350 0.028 0.000 0.196 65 E C 1.215 177.596 176.600 -0.364 0.000 1.000 65 E CA 1.852 57.997 56.400 -0.425 0.000 0.804 65 E CB -0.236 29.033 29.700 -0.720 0.000 0.740 65 E HN 0.802 nan 8.360 nan 0.000 0.454 66 Y N -0.716 119.586 120.300 0.003 0.000 2.301 66 Y HA -0.056 4.511 4.550 0.028 0.000 0.295 66 Y C 2.339 178.238 175.900 -0.002 0.000 1.119 66 Y CA 0.416 58.516 58.100 0.000 0.000 1.162 66 Y CB -0.279 38.178 38.460 -0.004 0.000 1.046 66 Y HN 0.001 nan 8.280 nan 0.000 0.538 67 V N -1.791 118.188 119.914 0.108 0.000 2.594 67 V HA -0.215 3.922 4.120 0.028 0.000 0.253 67 V C 1.386 177.499 176.094 0.031 0.000 1.069 67 V CA 2.023 64.355 62.300 0.053 0.000 1.082 67 V CB -0.520 31.315 31.823 0.019 0.000 0.680 67 V HN 0.196 nan 8.190 nan 0.000 0.469 68 D N 1.008 121.417 120.400 0.014 0.000 2.123 68 D HA -0.103 4.554 4.640 0.028 0.000 0.196 68 D C 2.044 178.366 176.300 0.037 0.000 0.992 68 D CA 2.000 56.010 54.000 0.016 0.000 0.833 68 D CB -0.309 40.484 40.800 -0.010 0.000 0.954 68 D HN 0.542 nan 8.370 nan 0.000 0.455 69 I N 0.126 120.727 120.570 0.051 0.000 2.179 69 I HA -0.240 3.947 4.170 0.028 0.000 0.242 69 I C 2.412 178.563 176.117 0.056 0.000 1.088 69 I CA 0.590 61.928 61.300 0.064 0.000 1.357 69 I CB -0.229 37.830 38.000 0.098 0.000 1.051 69 I HN -0.097 nan 8.210 nan 0.000 0.409 70 V N 0.756 120.703 119.914 0.055 0.000 2.255 70 V HA -0.341 3.796 4.120 0.028 0.000 0.247 70 V C 2.523 178.637 176.094 0.033 0.000 1.051 70 V CA 2.400 64.721 62.300 0.036 0.000 1.018 70 V CB -0.646 31.194 31.823 0.028 0.000 0.641 70 V HN 0.505 nan 8.190 nan 0.000 0.445 71 E N -0.231 119.992 120.200 0.038 0.000 2.110 71 E HA -0.284 4.083 4.350 0.028 0.000 0.193 71 E C 2.153 178.795 176.600 0.071 0.000 0.988 71 E CA 1.467 57.898 56.400 0.051 0.000 0.804 71 E CB -0.056 29.676 29.700 0.054 0.000 0.745 71 E HN 0.587 nan 8.360 nan 0.000 0.458 72 E N 0.461 120.700 120.200 0.065 0.000 2.072 72 E HA -0.135 4.232 4.350 0.028 0.000 0.191 72 E C 2.028 178.667 176.600 0.065 0.000 0.985 72 E CA 0.912 57.351 56.400 0.065 0.000 0.801 72 E CB -0.192 29.541 29.700 0.056 0.000 0.750 72 E HN 0.316 nan 8.360 nan 0.000 0.452 73 L N -0.220 121.040 121.223 0.061 0.000 2.012 73 L HA -0.242 4.114 4.340 0.028 0.000 0.210 73 L C 2.473 179.407 176.870 0.106 0.000 1.073 73 L CA 1.368 56.247 54.840 0.065 0.000 0.748 73 L CB -0.651 41.436 42.059 0.046 0.000 0.891 73 L HN 0.207 nan 8.230 nan 0.000 0.431 74 A N -0.014 122.876 122.820 0.116 0.000 1.883 74 A HA -0.222 4.115 4.320 0.028 0.000 0.217 74 A C 2.390 180.145 177.584 0.284 0.000 1.186 74 A CA 1.684 53.861 52.037 0.233 0.000 0.624 74 A CB -0.498 18.582 19.000 0.133 0.000 0.822 74 A HN 0.341 nan 8.150 nan 0.000 0.444 75 R N -0.759 119.828 120.500 0.145 0.000 2.066 75 R HA -0.086 4.271 4.340 0.028 0.000 0.232 75 R C 2.105 178.427 176.300 0.036 0.000 1.131 75 R CA 1.299 57.439 56.100 0.067 0.000 0.955 75 R CB -0.348 29.965 30.300 0.023 0.000 0.851 75 R HN 0.479 nan 8.270 nan 0.000 0.432 76 E N 0.765 120.994 120.200 0.049 0.000 2.077 76 E HA -0.151 4.216 4.350 0.028 0.000 0.193 76 E C 2.051 178.662 176.600 0.019 0.000 0.989 76 E CA 1.143 57.561 56.400 0.029 0.000 0.800 76 E CB -0.110 29.610 29.700 0.034 0.000 0.746 76 E HN 0.292 nan 8.360 nan 0.000 0.452 77 R N 0.477 121.010 120.500 0.055 0.000 2.096 77 R HA -0.035 4.322 4.340 0.028 0.000 0.235 77 R C 2.339 178.591 176.300 -0.081 0.000 1.127 77 R CA 1.188 57.311 56.100 0.038 0.000 0.968 77 R CB -0.290 30.101 30.300 0.151 0.000 0.861 77 R HN 0.105 nan 8.270 nan 0.000 0.440 78 A N 1.427 124.164 122.820 -0.137 0.000 1.902 78 A HA -0.188 4.148 4.320 0.028 0.000 0.217 78 A C 1.882 179.411 177.584 -0.092 0.000 1.181 78 A CA 1.396 53.235 52.037 -0.329 0.000 0.623 78 A CB -0.228 18.541 19.000 -0.386 0.000 0.818 78 A HN 0.183 nan 8.150 nan 0.000 0.443 79 K N -0.698 119.671 120.400 -0.051 0.000 2.097 79 K HA -0.179 4.158 4.320 0.028 0.000 0.206 79 K C 2.381 178.963 176.600 -0.031 0.000 1.049 79 K CA 1.543 57.822 56.287 -0.015 0.000 0.933 79 K CB -0.145 32.350 32.500 -0.009 0.000 0.717 79 K HN 0.658 nan 8.250 nan 0.000 0.442 80 Q N 0.552 120.316 119.800 -0.061 0.000 2.079 80 Q HA -0.161 4.196 4.340 0.028 0.000 0.200 80 Q C 2.042 177.953 176.000 -0.148 0.000 0.974 80 Q CA 0.997 56.754 55.803 -0.077 0.000 0.840 80 Q CB 0.059 28.759 28.738 -0.063 0.000 0.898 80 Q HN 0.150 nan 8.270 nan 0.000 0.430 81 L N -0.373 120.690 121.223 -0.266 0.000 2.046 81 L HA -0.122 4.235 4.340 0.028 0.000 0.208 81 L C 1.336 177.815 176.870 -0.651 0.000 1.077 81 L CA 1.833 56.344 54.840 -0.547 0.000 0.747 81 L CB -0.363 41.186 42.059 -0.851 0.000 0.896 81 L HN 0.254 nan 8.230 nan 0.000 0.432 82 F N -1.176 118.704 119.950 -0.116 0.000 2.682 82 F HA 0.408 4.950 4.527 0.025 0.000 0.308 82 F C 1.668 177.430 175.800 -0.062 0.000 1.093 82 F CA 0.233 58.181 58.000 -0.087 0.000 1.244 82 F CB -0.302 38.626 39.000 -0.120 0.000 1.052 82 F HN 0.089 nan 8.300 nan 0.000 0.573 83 G N 1.357 110.194 108.800 0.060 0.000 2.221 83 G HA2 -0.105 3.872 3.960 0.028 0.000 0.265 83 G HA3 -0.105 3.872 3.960 0.028 0.000 0.265 83 G C 0.251 175.173 174.900 0.035 0.000 1.041 83 G CA 0.092 45.211 45.100 0.031 0.000 0.807 83 G HN 0.655 nan 8.290 nan 0.000 0.502 84 A N -0.907 121.944 122.820 0.051 0.000 2.293 84 A HA 0.782 5.118 4.320 0.028 0.000 0.302 84 A C 1.022 178.626 177.584 0.033 0.000 1.119 84 A CA 0.429 52.487 52.037 0.034 0.000 0.823 84 A CB 0.656 19.673 19.000 0.028 0.000 1.097 84 A HN 0.390 nan 8.150 nan 0.000 0.491 85 E N -0.711 119.517 120.200 0.046 0.000 2.170 85 E HA -0.013 4.354 4.350 0.028 0.000 0.191 85 E C -0.197 176.478 176.600 0.125 0.000 0.981 85 E CA 0.862 57.299 56.400 0.062 0.000 0.830 85 E CB 0.103 29.831 29.700 0.047 0.000 0.775 85 E HN 0.743 nan 8.360 nan 0.000 0.470 86 H N -0.944 118.136 119.070 0.016 0.000 2.894 86 H HA 0.578 5.151 4.556 0.029 0.000 0.367 86 H C -1.739 173.604 175.328 0.025 0.000 1.144 86 H CA -0.644 55.416 56.048 0.021 0.000 1.180 86 H CB 1.679 31.458 29.762 0.028 0.000 1.758 86 H HN -0.009 nan 8.280 nan 0.000 0.541 87 A N 4.009 126.465 122.820 -0.607 0.000 2.386 87 A HA 0.437 4.774 4.320 0.028 0.000 0.311 87 A C -1.125 176.143 177.584 -0.527 0.000 1.068 87 A CA -0.877 50.921 52.037 -0.399 0.000 0.743 87 A CB 1.238 20.130 19.000 -0.180 0.000 1.258 87 A HN 0.725 nan 8.150 nan 0.000 0.429 88 N N 2.028 120.614 118.700 -0.190 0.000 2.479 88 N HA 0.309 5.065 4.740 0.028 0.000 0.261 88 N C 0.146 175.691 175.510 0.058 0.000 0.979 88 N CA -0.153 52.894 53.050 -0.005 0.000 0.930 88 N CB 1.884 40.439 38.487 0.114 0.000 1.172 88 N HN 0.705 nan 8.380 nan 0.000 0.499 89 V N 1.340 121.313 119.914 0.100 0.000 3.542 89 V HA 0.211 4.348 4.120 0.028 0.000 0.296 89 V C 1.292 177.432 176.094 0.076 0.000 1.364 89 V CA 0.353 62.724 62.300 0.117 0.000 1.118 89 V CB -0.087 31.834 31.823 0.163 0.000 0.972 89 V HN 0.537 nan 8.190 nan 0.000 0.430 90 Q N 0.644 120.487 119.800 0.072 0.000 2.389 90 Q HA 0.170 4.527 4.340 0.028 0.000 0.204 90 Q C -1.598 174.345 176.000 -0.095 0.000 0.944 90 Q CA -0.429 55.371 55.803 -0.005 0.000 0.908 90 Q CB -0.744 27.991 28.738 -0.005 0.000 1.002 90 Q HN 0.560 nan 8.270 nan 0.000 0.493 91 P HA -0.097 nan 4.420 nan 0.000 0.264 91 P C -0.111 177.155 177.300 -0.057 0.000 1.193 91 P CA 0.537 63.576 63.100 -0.102 0.000 0.763 91 P CB 0.448 32.132 31.700 -0.028 0.000 0.810 92 H N 0.493 119.559 119.070 -0.006 0.000 2.521 92 H HA 0.021 4.594 4.556 0.028 0.000 0.286 92 H C 0.965 176.290 175.328 -0.006 0.000 1.034 92 H CA 1.082 57.117 56.048 -0.023 0.000 1.278 92 H CB 0.078 29.822 29.762 -0.031 0.000 1.386 92 H HN 0.503 nan 8.280 nan 0.000 0.567 93 S N -2.920 112.852 115.700 0.121 0.000 2.636 93 S HA 0.379 4.866 4.470 0.028 0.000 0.266 93 S C 1.286 175.939 174.600 0.089 0.000 1.147 93 S CA -0.384 57.886 58.200 0.117 0.000 0.815 93 S CB 1.023 64.287 63.200 0.107 0.000 1.119 93 S HN 0.092 nan 8.310 nan 0.000 0.470 94 G N 0.805 109.664 108.800 0.099 0.000 2.440 94 G HA2 0.082 4.059 3.960 0.028 0.000 0.218 94 G HA3 0.082 4.059 3.960 0.028 0.000 0.218 94 G C 1.542 176.481 174.900 0.064 0.000 1.154 94 G CA 1.255 46.376 45.100 0.035 0.000 0.767 94 G HN 1.393 nan 8.290 nan 0.000 0.552 95 A N 0.297 123.188 122.820 0.119 0.000 1.873 95 A HA -0.171 4.165 4.320 0.028 0.000 0.218 95 A C 2.385 180.033 177.584 0.108 0.000 1.193 95 A CA 2.336 54.487 52.037 0.190 0.000 0.629 95 A CB -0.488 18.629 19.000 0.194 0.000 0.826 95 A HN 0.354 nan 8.150 nan 0.000 0.447 96 Q N -0.666 119.153 119.800 0.031 0.000 2.172 96 Q HA 0.126 4.482 4.340 0.028 0.000 0.200 96 Q C 2.301 178.271 176.000 -0.051 0.000 0.964 96 Q CA 1.554 57.331 55.803 -0.043 0.000 0.855 96 Q CB -0.661 28.055 28.738 -0.036 0.000 0.918 96 Q HN 0.653 nan 8.270 nan 0.000 0.444 97 A N 0.899 123.703 122.820 -0.027 0.000 1.883 97 A HA -0.249 4.088 4.320 0.028 0.000 0.217 97 A C 1.811 179.335 177.584 -0.100 0.000 1.186 97 A CA 1.843 53.851 52.037 -0.047 0.000 0.624 97 A CB -0.657 18.323 19.000 -0.034 0.000 0.822 97 A HN 0.348 nan 8.150 nan 0.000 0.444 98 N N -0.580 118.061 118.700 -0.098 0.000 2.084 98 N HA -0.164 4.592 4.740 0.028 0.000 0.190 98 N C 1.746 177.019 175.510 -0.395 0.000 1.030 98 N CA 1.711 54.591 53.050 -0.283 0.000 0.849 98 N CB -0.562 37.850 38.487 -0.124 0.000 1.012 98 N HN 0.634 nan 8.380 nan 0.000 0.423 99 M N 0.652 120.247 119.600 -0.009 0.000 2.106 99 M HA -0.200 4.297 4.480 0.028 0.000 0.259 99 M C 1.821 178.149 176.300 0.047 0.000 1.068 99 M CA 1.888 57.233 55.300 0.074 0.000 1.100 99 M CB -0.039 32.371 32.600 -0.316 0.000 1.351 99 M HN 0.199 nan 8.290 nan 0.000 0.404 100 A N -0.681 122.111 122.820 -0.047 0.000 1.898 100 A HA -0.087 4.249 4.320 0.028 0.000 0.216 100 A C 2.015 179.584 177.584 -0.025 0.000 1.181 100 A CA 1.691 53.731 52.037 0.004 0.000 0.620 100 A CB -0.996 17.994 19.000 -0.016 0.000 0.819 100 A HN 0.431 nan 8.150 nan 0.000 0.442 101 V N -0.922 118.876 119.914 -0.193 0.000 2.295 101 V HA -0.271 3.866 4.120 0.028 0.000 0.246 101 V C 2.438 178.369 176.094 -0.272 0.000 1.049 101 V CA 1.901 63.961 62.300 -0.400 0.000 1.024 101 V CB -1.128 30.400 31.823 -0.491 0.000 0.648 101 V HN 0.628 nan 8.190 nan 0.000 0.447 102 Y N -0.766 119.467 120.300 -0.111 0.000 2.128 102 Y HA -0.234 4.333 4.550 0.029 0.000 0.284 102 Y C 2.317 178.209 175.900 -0.012 0.000 1.154 102 Y CA 1.101 59.117 58.100 -0.141 0.000 1.149 102 Y CB -1.324 37.160 38.460 0.040 0.000 0.976 102 Y HN 0.276 nan 8.280 nan 0.000 0.505 103 F N 0.739 120.788 119.950 0.165 0.000 2.202 103 F HA -0.223 4.322 4.527 0.029 0.000 0.301 103 F C 2.201 178.004 175.800 0.004 0.000 1.082 103 F CA 1.935 60.008 58.000 0.123 0.000 1.313 103 F CB -0.509 38.542 39.000 0.086 0.000 1.024 103 F HN -0.026 nan 8.300 nan 0.000 0.495 104 T N -0.546 113.980 114.554 -0.046 0.000 2.737 104 T HA -0.122 4.244 4.350 0.028 0.000 0.265 104 T C 1.936 176.480 174.700 -0.261 0.000 1.038 104 T CA 2.021 64.013 62.100 -0.181 0.000 1.144 104 T CB -0.541 68.164 68.868 -0.271 0.000 0.866 104 T HN 0.252 nan 8.240 nan 0.000 0.434 105 V N -1.772 117.934 119.914 -0.346 0.000 3.661 105 V HA 0.484 4.621 4.120 0.028 0.000 0.271 105 V C 0.359 176.324 176.094 -0.215 0.000 1.315 105 V CA -0.155 61.921 62.300 -0.373 0.000 1.072 105 V CB -0.524 30.861 31.823 -0.730 0.000 0.830 105 V HN 0.233 nan 8.190 nan 0.000 0.443 106 L N 0.779 121.896 121.223 -0.176 0.000 2.342 106 L HA 0.684 5.041 4.340 0.028 0.000 0.271 106 L C -0.199 176.702 176.870 0.052 0.000 1.008 106 L CA -0.501 54.278 54.840 -0.102 0.000 0.818 106 L CB 2.046 43.901 42.059 -0.340 0.000 1.296 106 L HN 0.099 nan 8.230 nan 0.000 0.427 107 E N -0.050 120.211 120.200 0.101 0.000 2.227 107 E HA 0.208 4.575 4.350 0.028 0.000 0.268 107 E C -0.638 176.117 176.600 0.258 0.000 0.990 107 E CA -0.813 55.674 56.400 0.145 0.000 0.856 107 E CB 1.198 30.943 29.700 0.076 0.000 1.159 107 E HN 0.453 nan 8.360 nan 0.000 0.401 108 H N 0.827 119.963 119.070 0.110 0.000 3.167 108 H HA -0.113 4.459 4.556 0.027 0.000 0.306 108 H C 0.899 176.255 175.328 0.046 0.000 0.965 108 H CA 1.951 58.010 56.048 0.017 0.000 1.408 108 H CB 0.219 29.969 29.762 -0.021 0.000 1.406 108 H HN 0.831 nan 8.280 nan 0.000 0.576 109 G N 4.448 112.971 108.800 -0.461 0.000 2.199 109 G HA2 -0.256 3.720 3.960 0.028 0.000 0.254 109 G HA3 -0.256 3.720 3.960 0.028 0.000 0.254 109 G C 0.068 174.919 174.900 -0.083 0.000 0.982 109 G CA 0.260 45.169 45.100 -0.318 0.000 0.632 109 G HN 0.697 nan 8.290 nan 0.000 0.529 110 D N 1.354 121.770 120.400 0.025 0.000 2.449 110 D HA 0.412 5.069 4.640 0.028 0.000 0.236 110 D C 0.869 177.116 176.300 -0.089 0.000 1.149 110 D CA 0.813 54.805 54.000 -0.013 0.000 0.878 110 D CB 0.682 41.472 40.800 -0.016 0.000 1.198 110 D HN 0.126 nan 8.370 nan 0.000 0.446 111 T N 1.270 115.752 114.554 -0.119 0.000 2.832 111 T HA 0.410 4.776 4.350 0.028 0.000 0.296 111 T C 0.008 174.525 174.700 -0.305 0.000 0.968 111 T CA -0.506 61.484 62.100 -0.184 0.000 1.107 111 T CB 0.795 69.605 68.868 -0.097 0.000 0.916 111 T HN -0.007 nan 8.240 nan 0.000 0.517 112 V N 4.123 123.716 119.914 -0.536 0.000 2.709 112 V HA 0.515 4.651 4.120 0.028 0.000 0.308 112 V C -0.736 175.037 176.094 -0.536 0.000 1.062 112 V CA -1.026 60.842 62.300 -0.720 0.000 0.901 112 V CB 1.995 32.916 31.823 -1.503 0.000 1.003 112 V HN 0.664 nan 8.190 nan 0.000 0.425 113 L N 3.930 125.027 121.223 -0.211 0.000 2.280 113 L HA 0.945 5.302 4.340 0.028 0.000 0.287 113 L C 0.250 177.221 176.870 0.169 0.000 1.023 113 L CA 0.493 55.350 54.840 0.028 0.000 0.819 113 L CB 0.897 43.051 42.059 0.160 0.000 1.212 113 L HN 0.801 nan 8.230 nan 0.000 0.420 114 G N 4.016 112.900 108.800 0.140 0.000 2.730 114 G HA2 0.432 4.409 3.960 0.028 0.000 0.289 114 G HA3 0.432 4.409 3.960 0.028 0.000 0.289 114 G C -1.139 173.397 174.900 -0.607 0.000 1.341 114 G CA -0.969 44.156 45.100 0.042 0.000 0.932 114 G HN 0.637 nan 8.290 nan 0.000 0.481 115 M N 1.750 120.923 119.600 -0.712 0.000 2.238 115 M HA 0.109 4.606 4.480 0.028 0.000 0.350 115 M C 0.648 176.663 176.300 -0.476 0.000 1.321 115 M CA -0.567 54.167 55.300 -0.944 0.000 1.097 115 M CB 0.316 32.715 32.600 -0.335 0.000 1.713 115 M HN 0.596 nan 8.290 nan 0.000 0.455 116 N N 3.887 122.282 118.700 -0.508 0.000 2.223 116 N HA -0.112 4.645 4.740 0.028 0.000 0.271 116 N C 0.482 175.836 175.510 -0.260 0.000 1.315 116 N CA 0.212 53.011 53.050 -0.419 0.000 0.835 116 N CB 0.530 38.560 38.487 -0.761 0.000 1.066 116 N HN 0.693 nan 8.380 nan 0.000 0.486 117 L N 3.223 124.322 121.223 -0.207 0.000 2.131 117 L HA -0.126 4.231 4.340 0.028 0.000 0.210 117 L C 2.254 179.066 176.870 -0.096 0.000 1.092 117 L CA 1.417 56.170 54.840 -0.145 0.000 0.759 117 L CB -0.471 41.488 42.059 -0.167 0.000 0.903 117 L HN 0.543 nan 8.230 nan 0.000 0.435 118 S N -2.203 113.441 115.700 -0.094 0.000 2.561 118 S HA -0.031 4.456 4.470 0.028 0.000 0.225 118 S C 1.363 176.035 174.600 0.120 0.000 0.977 118 S CA 0.413 58.610 58.200 -0.005 0.000 0.926 118 S CB -0.434 62.761 63.200 -0.007 0.000 0.769 118 S HN 0.587 nan 8.310 nan 0.000 0.533 119 H N -0.778 118.201 119.070 -0.151 0.000 2.652 119 H HA 0.309 4.882 4.556 0.027 0.000 0.274 119 H C 1.593 176.893 175.328 -0.046 0.000 1.021 119 H CA 0.182 56.156 56.048 -0.123 0.000 1.187 119 H CB 0.715 30.386 29.762 -0.153 0.000 1.505 119 H HN 0.502 nan 8.280 nan 0.000 0.530 120 G N 0.588 109.427 108.800 0.066 0.000 2.485 120 G HA2 -0.196 3.780 3.960 0.028 0.000 0.181 120 G HA3 -0.196 3.780 3.960 0.028 0.000 0.181 120 G C 0.738 175.665 174.900 0.045 0.000 0.999 120 G CA -0.358 44.778 45.100 0.061 0.000 0.721 120 G HN 0.517 nan 8.290 nan 0.000 0.486 121 G N 0.075 108.884 108.800 0.014 0.000 2.554 121 G HA2 0.424 4.400 3.960 0.028 0.000 0.238 121 G HA3 0.424 4.400 3.960 0.028 0.000 0.238 121 G C -0.067 174.823 174.900 -0.016 0.000 1.259 121 G CA 0.278 45.417 45.100 0.064 0.000 0.843 121 G HN 0.484 nan 8.290 nan 0.000 0.582 122 H N 1.437 120.333 119.070 -0.290 0.000 2.505 122 H HA 0.104 4.677 4.556 0.028 0.000 0.355 122 H C 1.483 176.564 175.328 -0.411 0.000 1.179 122 H CA -0.833 54.923 56.048 -0.487 0.000 1.343 122 H CB 1.533 30.818 29.762 -0.794 0.000 1.501 122 H HN 0.328 nan 8.280 nan 0.000 0.569 123 L N 2.966 123.545 121.223 -1.074 0.000 2.051 123 L HA -0.237 4.120 4.340 0.028 0.000 0.214 123 L C 2.352 178.916 176.870 -0.511 0.000 1.076 123 L CA 2.611 57.016 54.840 -0.725 0.000 0.758 123 L CB -0.706 40.918 42.059 -0.724 0.000 0.890 123 L HN 0.846 nan 8.230 nan 0.000 0.433 124 T N -4.953 109.379 114.554 -0.370 0.000 3.194 124 T HA -0.031 4.336 4.350 0.028 0.000 0.251 124 T C 0.879 175.590 174.700 0.018 0.000 1.132 124 T CA 0.551 62.588 62.100 -0.105 0.000 1.028 124 T CB -0.926 68.090 68.868 0.247 0.000 0.976 124 T HN 0.618 nan 8.240 nan 0.000 0.535 125 H N 0.542 119.480 119.070 -0.220 0.000 2.550 125 H HA 0.500 5.073 4.556 0.028 0.000 0.304 125 H C 1.406 176.132 175.328 -1.004 0.000 1.086 125 H CA -0.458 55.401 56.048 -0.316 0.000 1.089 125 H CB 0.101 29.839 29.762 -0.040 0.000 1.528 125 H HN 0.510 nan 8.280 nan 0.000 0.539 126 G N 0.906 108.932 108.800 -1.289 0.000 2.164 126 G HA2 -0.279 3.697 3.960 0.028 0.000 0.154 126 G HA3 -0.279 3.697 3.960 0.028 0.000 0.154 126 G C 0.211 174.755 174.900 -0.593 0.000 1.014 126 G CA -0.043 44.181 45.100 -1.460 0.000 0.683 126 G HN 0.390 nan 8.290 nan 0.000 0.500 127 S N 1.388 116.813 115.700 -0.459 0.000 2.537 127 S HA 0.410 4.896 4.470 0.028 0.000 0.286 127 S C -0.004 174.461 174.600 -0.225 0.000 1.299 127 S CA -0.017 58.009 58.200 -0.291 0.000 1.067 127 S CB 1.122 64.164 63.200 -0.263 0.000 0.864 127 S HN 0.183 nan 8.310 nan 0.000 0.494 128 P HA -0.009 nan 4.420 nan 0.000 0.234 128 P C 0.943 178.197 177.300 -0.078 0.000 1.167 128 P CA 0.645 63.685 63.100 -0.100 0.000 0.763 128 P CB -0.292 31.363 31.700 -0.074 0.000 0.835 129 V N -4.492 115.370 119.914 -0.087 0.000 3.483 129 V HA 0.294 4.430 4.120 0.028 0.000 0.301 129 V C 0.656 176.720 176.094 -0.049 0.000 1.389 129 V CA -0.439 61.827 62.300 -0.056 0.000 1.101 129 V CB -0.833 30.960 31.823 -0.050 0.000 0.971 129 V HN 0.008 nan 8.190 nan 0.000 0.434 130 N N 0.587 119.231 118.700 -0.094 0.000 2.430 130 N HA 0.250 5.007 4.740 0.028 0.000 0.298 130 N C 1.003 176.465 175.510 -0.081 0.000 1.130 130 N CA -0.131 52.867 53.050 -0.086 0.000 0.894 130 N CB 2.196 40.553 38.487 -0.217 0.000 1.209 130 N HN 0.203 nan 8.380 nan 0.000 0.503 131 F N 2.213 122.176 119.950 0.022 0.000 2.147 131 F HA -0.213 4.331 4.527 0.028 0.000 0.301 131 F C 2.309 178.157 175.800 0.079 0.000 1.084 131 F CA 1.596 59.626 58.000 0.050 0.000 1.268 131 F CB -1.037 38.016 39.000 0.089 0.000 1.009 131 F HN 0.456 nan 8.300 nan 0.000 0.486 132 S N 0.558 115.685 115.700 -0.955 0.000 2.353 132 S HA -0.099 4.387 4.470 0.028 0.000 0.222 132 S C 2.306 176.810 174.600 -0.159 0.000 1.035 132 S CA 1.101 58.981 58.200 -0.534 0.000 1.025 132 S CB -1.738 61.009 63.200 -0.754 0.000 0.902 132 S HN 0.582 nan 8.310 nan 0.000 0.440 133 G N 0.474 109.103 108.800 -0.285 0.000 2.511 133 G HA2 0.060 4.037 3.960 0.028 0.000 0.217 133 G HA3 0.060 4.037 3.960 0.028 0.000 0.217 133 G C 1.351 176.229 174.900 -0.036 0.000 1.133 133 G CA 0.698 45.723 45.100 -0.124 0.000 0.792 133 G HN 0.483 nan 8.290 nan 0.000 0.539 134 V N 0.088 119.972 119.914 -0.050 0.000 2.535 134 V HA -0.076 4.061 4.120 0.028 0.000 0.246 134 V C 2.558 178.629 176.094 -0.038 0.000 1.045 134 V CA 1.987 64.276 62.300 -0.017 0.000 1.058 134 V CB 0.309 32.142 31.823 0.017 0.000 0.689 134 V HN 0.439 nan 8.190 nan 0.000 0.461 135 Q N -0.809 118.919 119.800 -0.121 0.000 2.250 135 Q HA 0.064 4.421 4.340 0.028 0.000 0.200 135 Q C -0.030 175.573 176.000 -0.662 0.000 0.941 135 Q CA 0.976 56.568 55.803 -0.350 0.000 0.872 135 Q CB 0.216 28.645 28.738 -0.514 0.000 0.965 135 Q HN 0.633 nan 8.270 nan 0.000 0.480 136 Y N -0.667 119.635 120.300 0.004 0.000 2.598 136 Y HA 0.417 4.983 4.550 0.027 0.000 0.340 136 Y C -0.553 175.320 175.900 -0.046 0.000 1.038 136 Y CA -1.858 56.192 58.100 -0.084 0.000 1.100 136 Y CB 0.840 39.212 38.460 -0.147 0.000 1.281 136 Y HN -0.150 nan 8.280 nan 0.000 0.488 137 N N 1.306 120.013 118.700 0.012 0.000 2.602 137 N HA 0.224 4.981 4.740 0.028 0.000 0.238 137 N C -1.742 173.706 175.510 -0.104 0.000 1.084 137 N CA -0.101 52.928 53.050 -0.036 0.000 0.952 137 N CB -0.283 38.157 38.487 -0.077 0.000 1.244 137 N HN 0.405 nan 8.380 nan 0.000 0.512 138 F N 2.517 122.400 119.950 -0.112 0.000 2.427 138 F HA 0.258 4.802 4.527 0.028 0.000 0.352 138 F C 0.742 176.438 175.800 -0.173 0.000 1.100 138 F CA -0.415 57.502 58.000 -0.137 0.000 1.191 138 F CB 0.813 39.733 39.000 -0.135 0.000 1.128 138 F HN 0.130 nan 8.300 nan 0.000 0.533 139 V N 0.657 120.521 119.914 -0.083 0.000 3.019 139 V HA 0.988 5.125 4.120 0.028 0.000 0.317 139 V C -0.598 175.462 176.094 -0.058 0.000 1.094 139 V CA -1.187 61.012 62.300 -0.168 0.000 1.000 139 V CB 1.410 32.941 31.823 -0.485 0.000 1.060 139 V HN 0.885 nan 8.190 nan 0.000 0.443 140 A N 1.823 124.596 122.820 -0.079 0.000 2.386 140 A HA 0.914 5.251 4.320 0.028 0.000 0.311 140 A C -0.998 176.552 177.584 -0.057 0.000 1.068 140 A CA -0.721 51.234 52.037 -0.137 0.000 0.743 140 A CB 1.431 20.305 19.000 -0.209 0.000 1.258 140 A HN 1.530 nan 8.150 nan 0.000 0.429 141 Y N 0.096 120.390 120.300 -0.009 0.000 2.453 141 Y HA 0.830 5.396 4.550 0.028 0.000 0.326 141 Y C 0.473 176.336 175.900 -0.062 0.000 1.186 141 Y CA -0.904 57.186 58.100 -0.017 0.000 1.200 141 Y CB 0.924 39.384 38.460 -0.000 0.000 1.247 141 Y HN 0.776 nan 8.280 nan 0.000 0.482 142 G N 0.359 109.270 108.800 0.184 0.000 2.685 142 G HA2 0.575 4.551 3.960 0.028 0.000 0.298 142 G HA3 0.575 4.551 3.960 0.028 0.000 0.298 142 G C -0.992 174.106 174.900 0.329 0.000 1.277 142 G CA -0.728 44.496 45.100 0.207 0.000 0.986 142 G HN 1.092 nan 8.290 nan 0.000 0.487 143 V N -1.576 118.615 119.914 0.462 0.000 2.863 143 V HA 0.471 4.607 4.120 0.028 0.000 0.307 143 V C 0.315 176.614 176.094 0.343 0.000 1.061 143 V CA -1.108 61.368 62.300 0.294 0.000 1.024 143 V CB 1.697 33.676 31.823 0.260 0.000 1.049 143 V HN 0.706 nan 8.190 nan 0.000 0.471 144 D N 3.315 123.856 120.400 0.236 0.000 2.488 144 D HA 0.116 4.773 4.640 0.028 0.000 0.238 144 D C -1.727 174.677 176.300 0.173 0.000 1.138 144 D CA -0.988 53.111 54.000 0.165 0.000 0.873 144 D CB 1.949 42.797 40.800 0.080 0.000 1.183 144 D HN 0.457 nan 8.370 nan 0.000 0.458 145 P HA -0.071 nan 4.420 nan 0.000 0.222 145 P C 0.726 177.945 177.300 -0.135 0.000 1.147 145 P CA 0.958 63.913 63.100 -0.242 0.000 0.790 145 P CB 0.367 31.721 31.700 -0.577 0.000 0.780 146 E N -0.838 119.250 120.200 -0.188 0.000 2.152 146 E HA -0.062 4.305 4.350 0.028 0.000 0.195 146 E C 1.816 178.121 176.600 -0.493 0.000 0.934 146 E CA 1.083 57.314 56.400 -0.282 0.000 0.869 146 E CB -0.352 29.256 29.700 -0.153 0.000 0.842 146 E HN 0.111 nan 8.360 nan 0.000 0.472 147 T N -2.511 111.872 114.554 -0.285 0.000 3.023 147 T HA -0.051 4.316 4.350 0.028 0.000 0.266 147 T C 0.288 174.896 174.700 -0.154 0.000 1.093 147 T CA 1.142 63.122 62.100 -0.201 0.000 1.129 147 T CB -0.515 68.328 68.868 -0.041 0.000 0.899 147 T HN 0.506 nan 8.240 nan 0.000 0.491 148 H N -0.932 118.198 119.070 0.101 0.000 3.047 148 H HA -0.105 4.467 4.556 0.028 0.000 0.263 148 H C -0.419 175.048 175.328 0.232 0.000 1.168 148 H CA 0.100 56.231 56.048 0.138 0.000 1.152 148 H CB -2.412 27.407 29.762 0.095 0.000 1.278 148 H HN 0.352 nan 8.280 nan 0.000 0.339 149 V N 1.440 121.525 119.914 0.285 0.000 2.567 149 V HA 0.136 4.273 4.120 0.028 0.000 0.289 149 V C 1.357 177.608 176.094 0.261 0.000 1.049 149 V CA -0.497 62.016 62.300 0.354 0.000 0.969 149 V CB 1.425 33.398 31.823 0.249 0.000 0.995 149 V HN 0.197 nan 8.190 nan 0.000 0.471 150 I N 3.494 124.175 120.570 0.185 0.000 2.906 150 I HA -0.086 4.101 4.170 0.028 0.000 0.301 150 I C 0.716 176.694 176.117 -0.231 0.000 1.221 150 I CA 0.659 61.864 61.300 -0.157 0.000 1.435 150 I CB 0.051 37.746 38.000 -0.508 0.000 1.345 150 I HN 0.650 nan 8.210 nan 0.000 0.558 151 D N 6.956 127.274 120.400 -0.138 0.000 2.393 151 D HA 0.042 4.699 4.640 0.028 0.000 0.232 151 D C 0.544 176.700 176.300 -0.239 0.000 1.192 151 D CA -0.023 53.930 54.000 -0.078 0.000 0.882 151 D CB 0.479 41.302 40.800 0.039 0.000 1.038 151 D HN 0.333 nan 8.370 nan 0.000 0.499 152 Y N 1.627 121.850 120.300 -0.129 0.000 2.373 152 Y HA -0.102 4.464 4.550 0.027 0.000 0.293 152 Y C 2.012 177.797 175.900 -0.192 0.000 1.129 152 Y CA 0.602 58.548 58.100 -0.257 0.000 1.226 152 Y CB 0.230 38.529 38.460 -0.268 0.000 1.000 152 Y HN 0.393 nan 8.280 nan 0.000 0.549 153 D N -0.110 120.300 120.400 0.017 0.000 2.178 153 D HA -0.175 4.482 4.640 0.028 0.000 0.202 153 D C 1.524 177.814 176.300 -0.017 0.000 0.974 153 D CA 1.486 55.483 54.000 -0.003 0.000 0.841 153 D CB -0.208 40.599 40.800 0.013 0.000 0.953 153 D HN 0.409 nan 8.370 nan 0.000 0.478 154 D N 0.358 120.748 120.400 -0.017 0.000 2.123 154 D HA -0.113 4.544 4.640 0.028 0.000 0.200 154 D C 2.152 178.453 176.300 0.001 0.000 0.976 154 D CA 0.516 54.527 54.000 0.018 0.000 0.831 154 D CB 0.166 41.007 40.800 0.068 0.000 0.974 154 D HN -0.098 nan 8.370 nan 0.000 0.469 155 V N 0.648 120.480 119.914 -0.136 0.000 2.282 155 V HA -0.271 3.866 4.120 0.028 0.000 0.249 155 V C 2.633 178.660 176.094 -0.112 0.000 1.057 155 V CA 2.189 64.338 62.300 -0.251 0.000 1.032 155 V CB -0.673 30.714 31.823 -0.726 0.000 0.645 155 V HN 0.230 nan 8.190 nan 0.000 0.447 156 R N -0.002 120.433 120.500 -0.107 0.000 2.073 156 R HA -0.227 4.129 4.340 0.028 0.000 0.234 156 R C 2.453 178.743 176.300 -0.017 0.000 1.134 156 R CA 2.127 58.194 56.100 -0.055 0.000 0.952 156 R CB -0.317 29.953 30.300 -0.050 0.000 0.850 156 R HN 0.705 nan 8.270 nan 0.000 0.433 157 E N 0.217 120.412 120.200 -0.008 0.000 2.051 157 E HA -0.203 4.164 4.350 0.028 0.000 0.192 157 E C 1.594 178.199 176.600 0.009 0.000 0.991 157 E CA 1.137 57.535 56.400 -0.002 0.000 0.799 157 E CB 0.166 29.869 29.700 0.004 0.000 0.748 157 E HN 0.165 nan 8.360 nan 0.000 0.449 158 K N 0.318 120.757 120.400 0.065 0.000 2.063 158 K HA -0.132 4.205 4.320 0.028 0.000 0.208 158 K C 2.119 178.812 176.600 0.156 0.000 1.048 158 K CA 1.131 57.515 56.287 0.163 0.000 0.928 158 K CB -0.489 32.157 32.500 0.244 0.000 0.713 158 K HN 0.213 nan 8.250 nan 0.000 0.442 159 A N 1.601 124.481 122.820 0.100 0.000 1.902 159 A HA -0.171 4.166 4.320 0.028 0.000 0.217 159 A C 2.233 179.840 177.584 0.038 0.000 1.181 159 A CA 1.428 53.512 52.037 0.079 0.000 0.623 159 A CB -0.365 18.667 19.000 0.053 0.000 0.818 159 A HN 0.261 nan 8.150 nan 0.000 0.443 160 R N -1.414 119.090 120.500 0.005 0.000 2.115 160 R HA 0.014 4.370 4.340 0.028 0.000 0.226 160 R C 2.072 178.341 176.300 -0.051 0.000 1.100 160 R CA 1.128 57.217 56.100 -0.018 0.000 0.980 160 R CB -0.359 29.928 30.300 -0.022 0.000 0.875 160 R HN 0.494 nan 8.270 nan 0.000 0.445 161 L N 0.008 121.168 121.223 -0.105 0.000 2.044 161 L HA -0.098 4.258 4.340 0.028 0.000 0.205 161 L C 1.756 178.473 176.870 -0.256 0.000 1.075 161 L CA 1.898 56.598 54.840 -0.234 0.000 0.747 161 L CB -0.300 41.518 42.059 -0.403 0.000 0.903 161 L HN 0.180 nan 8.230 nan 0.000 0.435 162 H N 0.054 119.125 119.070 0.001 0.000 2.562 162 H HA 0.243 4.815 4.556 0.028 0.000 0.267 162 H C 0.041 175.360 175.328 -0.014 0.000 0.959 162 H CA 0.100 56.144 56.048 -0.007 0.000 1.204 162 H CB 0.245 30.003 29.762 -0.007 0.000 1.430 162 H HN 0.155 nan 8.280 nan 0.000 0.545 163 R N 0.575 121.122 120.500 0.078 0.000 3.127 163 R HA -0.106 4.250 4.340 0.028 0.000 0.247 163 R C -2.581 173.738 176.300 0.032 0.000 0.896 163 R CA 0.008 56.132 56.100 0.039 0.000 0.624 163 R CB -2.363 27.948 30.300 0.018 0.000 1.154 163 R HN 0.437 nan 8.270 nan 0.000 0.474 164 P HA 0.066 nan 4.420 nan 0.000 0.272 164 P C 0.617 177.909 177.300 -0.012 0.000 1.223 164 P CA -0.248 62.843 63.100 -0.016 0.000 0.784 164 P CB 0.857 32.543 31.700 -0.023 0.000 0.923 165 K N 0.633 121.013 120.400 -0.034 0.000 2.296 165 K HA 0.012 4.348 4.320 0.028 0.000 0.200 165 K C 0.240 176.885 176.600 0.074 0.000 1.048 165 K CA 0.489 56.787 56.287 0.017 0.000 0.966 165 K CB 0.018 32.523 32.500 0.009 0.000 0.754 165 K HN 0.312 nan 8.250 nan 0.000 0.466 166 L N 0.938 122.160 121.223 -0.002 0.000 2.455 166 L HA 0.450 4.807 4.340 0.028 0.000 0.264 166 L C -1.542 175.340 176.870 0.020 0.000 0.968 166 L CA -0.597 54.268 54.840 0.041 0.000 0.827 166 L CB 1.904 43.932 42.059 -0.052 0.000 1.317 166 L HN -0.091 nan 8.230 nan 0.000 0.407 167 I N 4.966 125.607 120.570 0.119 0.000 2.404 167 I HA 0.507 4.694 4.170 0.028 0.000 0.293 167 I C -0.749 175.464 176.117 0.159 0.000 0.992 167 I CA -1.017 60.383 61.300 0.166 0.000 1.149 167 I CB 1.962 40.112 38.000 0.250 0.000 1.315 167 I HN 0.255 nan 8.210 nan 0.000 0.446 168 V N 5.494 125.498 119.914 0.151 0.000 2.398 168 V HA 0.685 4.821 4.120 0.028 0.000 0.286 168 V C 0.269 176.349 176.094 -0.022 0.000 1.026 168 V CA -0.425 61.899 62.300 0.041 0.000 0.868 168 V CB 1.409 33.226 31.823 -0.010 0.000 0.982 168 V HN 0.849 nan 8.190 nan 0.000 0.443 169 A N 4.114 126.797 122.820 -0.228 0.000 2.356 169 A HA 1.056 5.393 4.320 0.028 0.000 0.323 169 A C 0.030 177.529 177.584 -0.143 0.000 1.119 169 A CA 0.039 51.810 52.037 -0.442 0.000 0.790 169 A CB 1.549 19.875 19.000 -1.123 0.000 1.273 169 A HN 2.474 nan 8.150 nan 0.000 0.452 170 A N -0.857 121.955 122.820 -0.013 0.000 2.435 170 A HA 0.569 4.905 4.320 0.028 0.000 0.686 170 A C -0.315 177.398 177.584 0.214 0.000 0.140 170 A CA -0.028 52.094 52.037 0.141 0.000 0.030 170 A CB -1.463 17.624 19.000 0.145 0.000 3.972 170 A HN 2.969 nan 8.150 nan 0.000 0.548 171 A N -0.691 122.273 122.820 0.240 0.000 2.610 171 A HA 0.947 5.284 4.320 0.028 0.000 0.291 171 A C 0.600 178.239 177.584 0.092 0.000 1.086 171 A CA 0.704 52.860 52.037 0.198 0.000 0.677 171 A CB 0.561 19.665 19.000 0.174 0.000 1.278 171 A HN 2.441 nan 8.150 nan 0.000 0.414 172 S N -0.698 115.005 115.700 0.005 0.000 2.511 172 S HA 0.493 4.980 4.470 0.028 0.000 0.214 172 S C 0.683 175.065 174.600 -0.364 0.000 0.997 172 S CA 0.744 58.818 58.200 -0.211 0.000 0.908 172 S CB 0.556 63.802 63.200 0.077 0.000 0.803 172 S HN 2.125 nan 8.310 nan 0.000 0.504 173 A N 0.519 123.260 122.820 -0.132 0.000 3.106 173 A HA 0.513 4.849 4.320 0.028 0.000 0.227 173 A C -0.929 176.687 177.584 0.053 0.000 0.920 173 A CA -0.410 51.574 52.037 -0.088 0.000 1.088 173 A CB -0.008 18.960 19.000 -0.052 0.000 1.233 173 A HN 0.408 nan 8.150 nan 0.000 0.503 174 Y N 1.925 122.183 120.300 -0.069 0.000 2.345 174 Y HA 0.532 5.098 4.550 0.027 0.000 0.331 174 Y C -2.184 173.722 175.900 0.010 0.000 0.959 174 Y CA -2.342 55.762 58.100 0.006 0.000 1.204 174 Y CB 2.113 40.617 38.460 0.072 0.000 1.135 174 Y HN 0.257 nan 8.280 nan 0.000 0.477 175 P HA 0.092 nan 4.420 nan 0.000 0.249 175 P C -0.210 176.885 177.300 -0.342 0.000 1.229 175 P CA 0.577 63.506 63.100 -0.286 0.000 0.788 175 P CB 0.527 32.107 31.700 -0.200 0.000 1.072 176 R N -0.134 119.945 120.500 -0.701 0.000 2.873 176 R HA 0.487 4.844 4.340 0.028 0.000 0.264 176 R C 0.448 176.682 176.300 -0.110 0.000 1.026 176 R CA -1.501 54.352 56.100 -0.412 0.000 1.002 176 R CB 0.642 30.699 30.300 -0.406 0.000 1.174 176 R HN 0.004 nan 8.270 nan 0.000 0.488 177 I N 2.023 122.605 120.570 0.020 0.000 2.710 177 I HA 0.001 4.188 4.170 0.028 0.000 0.286 177 I C 0.544 176.772 176.117 0.185 0.000 1.181 177 I CA 0.511 61.836 61.300 0.042 0.000 1.430 177 I CB 0.302 38.165 38.000 -0.228 0.000 1.367 177 I HN 0.232 nan 8.210 nan 0.000 0.577 178 I N 5.511 126.190 120.570 0.182 0.000 2.353 178 I HA 0.110 4.297 4.170 0.028 0.000 0.293 178 I C 0.167 176.049 176.117 -0.392 0.000 0.992 178 I CA -0.352 60.965 61.300 0.029 0.000 1.268 178 I CB 1.022 38.974 38.000 -0.080 0.000 1.387 178 I HN 0.488 nan 8.210 nan 0.000 0.478 179 D N 6.386 126.749 120.400 -0.062 0.000 2.453 179 D HA 0.138 4.794 4.640 0.028 0.000 0.223 179 D C 0.720 176.978 176.300 -0.071 0.000 1.183 179 D CA -0.010 53.853 54.000 -0.228 0.000 0.933 179 D CB 0.329 40.861 40.800 -0.447 0.000 1.038 179 D HN 0.351 nan 8.370 nan 0.000 0.513 180 F N 1.785 121.752 119.950 0.029 0.000 2.293 180 F HA -0.086 4.458 4.527 0.028 0.000 0.300 180 F C 2.503 178.103 175.800 -0.333 0.000 1.086 180 F CA 0.505 58.495 58.000 -0.016 0.000 1.375 180 F CB -0.000 39.004 39.000 0.007 0.000 1.045 180 F HN 0.434 nan 8.300 nan 0.000 0.516 181 A N 0.632 123.078 122.820 -0.624 0.000 1.877 181 A HA -0.211 4.126 4.320 0.028 0.000 0.216 181 A C 2.197 179.657 177.584 -0.208 0.000 1.186 181 A CA 1.651 53.282 52.037 -0.676 0.000 0.620 181 A CB -0.553 18.113 19.000 -0.558 0.000 0.822 181 A HN 0.294 nan 8.150 nan 0.000 0.443 182 K N -1.566 118.706 120.400 -0.213 0.000 2.057 182 K HA -0.076 4.261 4.320 0.028 0.000 0.206 182 K C 1.686 178.232 176.600 -0.091 0.000 1.050 182 K CA 1.416 57.575 56.287 -0.213 0.000 0.935 182 K CB -0.342 31.858 32.500 -0.500 0.000 0.715 182 K HN 0.461 nan 8.250 nan 0.000 0.439 183 F N 1.246 121.217 119.950 0.035 0.000 2.126 183 F HA -0.213 4.331 4.527 0.029 0.000 0.299 183 F C 2.623 178.471 175.800 0.079 0.000 1.096 183 F CA 1.364 59.415 58.000 0.086 0.000 1.255 183 F CB -0.200 38.895 39.000 0.159 0.000 0.997 183 F HN -0.059 nan 8.300 nan 0.000 0.479 184 R N 0.860 121.517 120.500 0.262 0.000 2.092 184 R HA -0.151 4.205 4.340 0.028 0.000 0.231 184 R C 2.034 178.414 176.300 0.133 0.000 1.119 184 R CA 1.712 57.936 56.100 0.206 0.000 0.970 184 R CB -0.766 29.681 30.300 0.245 0.000 0.864 184 R HN 0.409 nan 8.270 nan 0.000 0.440 185 E N -0.232 120.015 120.200 0.078 0.000 2.058 185 E HA -0.189 4.178 4.350 0.028 0.000 0.194 185 E C 1.857 178.474 176.600 0.028 0.000 0.997 185 E CA 1.759 58.182 56.400 0.037 0.000 0.801 185 E CB -0.138 29.557 29.700 -0.009 0.000 0.746 185 E HN 0.417 nan 8.360 nan 0.000 0.450 186 I N 0.768 121.347 120.570 0.016 0.000 2.202 186 I HA -0.237 3.950 4.170 0.028 0.000 0.242 186 I C 2.597 178.744 176.117 0.049 0.000 1.091 186 I CA 0.936 62.239 61.300 0.006 0.000 1.368 186 I CB -0.352 37.618 38.000 -0.051 0.000 1.058 186 I HN 0.158 nan 8.210 nan 0.000 0.410 187 A N 0.664 123.545 122.820 0.102 0.000 1.892 187 A HA -0.284 4.052 4.320 0.028 0.000 0.218 187 A C 1.955 179.587 177.584 0.080 0.000 1.188 187 A CA 2.374 54.484 52.037 0.120 0.000 0.631 187 A CB -0.707 18.413 19.000 0.198 0.000 0.822 187 A HN 0.359 nan 8.150 nan 0.000 0.447 188 D N -0.911 119.538 120.400 0.082 0.000 2.144 188 D HA -0.135 4.522 4.640 0.028 0.000 0.199 188 D C 1.888 178.205 176.300 0.028 0.000 0.984 188 D CA 1.379 55.413 54.000 0.056 0.000 0.834 188 D CB -0.354 40.483 40.800 0.060 0.000 0.955 188 D HN 0.738 nan 8.370 nan 0.000 0.465 189 E N 0.277 120.492 120.200 0.024 0.000 2.110 189 E HA -0.146 4.221 4.350 0.028 0.000 0.193 189 E C 1.691 178.294 176.600 0.005 0.000 0.988 189 E CA 1.199 57.605 56.400 0.010 0.000 0.804 189 E CB 0.292 29.995 29.700 0.004 0.000 0.745 189 E HN 0.238 nan 8.360 nan 0.000 0.458 190 V N -3.600 116.319 119.914 0.009 0.000 3.578 190 V HA 0.438 4.574 4.120 0.028 0.000 0.290 190 V C 0.997 177.086 176.094 -0.009 0.000 1.376 190 V CA 0.338 62.640 62.300 0.004 0.000 1.083 190 V CB 0.121 31.952 31.823 0.014 0.000 0.911 190 V HN 0.259 nan 8.190 nan 0.000 0.433 191 G N 0.479 109.268 108.800 -0.019 0.000 2.246 191 G HA2 0.002 3.979 3.960 0.028 0.000 0.273 191 G HA3 0.002 3.979 3.960 0.028 0.000 0.273 191 G C 0.198 175.035 174.900 -0.105 0.000 1.055 191 G CA 0.414 45.478 45.100 -0.061 0.000 0.851 191 G HN 1.667 nan 8.290 nan 0.000 0.500 192 A N -0.620 122.161 122.820 -0.064 0.000 2.312 192 A HA 0.825 5.162 4.320 0.028 0.000 0.328 192 A C 0.045 177.570 177.584 -0.099 0.000 1.158 192 A CA -0.807 51.199 52.037 -0.052 0.000 0.821 192 A CB 0.860 19.885 19.000 0.042 0.000 1.170 192 A HN 0.546 nan 8.150 nan 0.000 0.490 193 Y N 0.107 120.371 120.300 -0.060 0.000 2.457 193 Y HA 0.333 4.900 4.550 0.028 0.000 0.341 193 Y C 0.318 176.308 175.900 0.151 0.000 1.240 193 Y CA 0.458 58.479 58.100 -0.132 0.000 1.437 193 Y CB 0.637 39.044 38.460 -0.089 0.000 1.328 193 Y HN 0.548 nan 8.280 nan 0.000 0.588 194 L N 4.893 126.459 121.223 0.571 0.000 2.305 194 L HA 0.501 4.857 4.340 0.028 0.000 0.284 194 L C -0.821 176.242 176.870 0.322 0.000 1.013 194 L CA -0.834 54.233 54.840 0.379 0.000 0.819 194 L CB 1.136 43.379 42.059 0.307 0.000 1.227 194 L HN 0.724 nan 8.230 nan 0.000 0.417 195 M N 5.744 125.480 119.600 0.228 0.000 2.205 195 M HA 0.599 5.095 4.480 0.028 0.000 0.344 195 M C -1.676 174.635 176.300 0.017 0.000 1.085 195 M CA -0.606 54.792 55.300 0.164 0.000 1.001 195 M CB 1.498 34.188 32.600 0.151 0.000 1.626 195 M HN 0.414 nan 8.290 nan 0.000 0.442 196 V N 4.357 124.239 119.914 -0.053 0.000 2.384 196 V HA 0.264 4.401 4.120 0.028 0.000 0.287 196 V C -0.607 175.420 176.094 -0.113 0.000 1.020 196 V CA -0.602 61.610 62.300 -0.146 0.000 0.850 196 V CB 1.526 33.123 31.823 -0.377 0.000 0.987 196 V HN 0.765 nan 8.190 nan 0.000 0.436 197 D N 5.788 126.151 120.400 -0.061 0.000 2.441 197 D HA 0.238 4.894 4.640 0.028 0.000 0.221 197 D C 0.784 177.095 176.300 0.017 0.000 1.156 197 D CA -0.445 53.555 54.000 0.001 0.000 0.896 197 D CB 1.110 41.994 40.800 0.139 0.000 1.028 197 D HN 0.610 nan 8.370 nan 0.000 0.509 198 M N 1.691 121.255 119.600 -0.060 0.000 2.530 198 M HA 0.363 4.860 4.480 0.028 0.000 0.231 198 M C 1.390 177.661 176.300 -0.047 0.000 1.180 198 M CA -0.388 54.881 55.300 -0.051 0.000 0.985 198 M CB 0.670 33.185 32.600 -0.142 0.000 1.623 198 M HN 0.132 nan 8.290 nan 0.000 0.475 199 A N 1.282 124.076 122.820 -0.042 0.000 1.896 199 A HA -0.246 4.091 4.320 0.028 0.000 0.220 199 A C 2.094 179.604 177.584 -0.124 0.000 1.206 199 A CA 2.176 54.148 52.037 -0.110 0.000 0.647 199 A CB -1.404 17.515 19.000 -0.135 0.000 0.828 199 A HN 0.758 nan 8.150 nan 0.000 0.455 200 H N -0.554 118.479 119.070 -0.062 0.000 2.389 200 H HA -0.037 4.537 4.556 0.030 0.000 0.299 200 H C 1.859 177.054 175.328 -0.223 0.000 1.081 200 H CA 1.772 57.791 56.048 -0.049 0.000 1.345 200 H CB -0.023 29.840 29.762 0.169 0.000 1.393 200 H HN 0.732 nan 8.280 nan 0.000 0.520 201 I N -2.649 117.909 120.570 -0.019 0.000 3.976 201 I HA 0.354 4.540 4.170 0.028 0.000 0.337 201 I C 2.163 178.273 176.117 -0.013 0.000 1.359 201 I CA 0.148 61.402 61.300 -0.076 0.000 1.098 201 I CB 0.231 38.159 38.000 -0.121 0.000 1.027 201 I HN -0.093 nan 8.210 nan 0.000 0.394 202 A N 2.188 125.007 122.820 -0.001 0.000 1.908 202 A HA -0.053 4.284 4.320 0.028 0.000 0.218 202 A C 2.345 180.111 177.584 0.304 0.000 1.181 202 A CA 2.011 54.111 52.037 0.105 0.000 0.627 202 A CB -1.404 17.602 19.000 0.010 0.000 0.818 202 A HN 0.535 nan 8.150 nan 0.000 0.445 203 G N -0.227 108.724 108.800 0.251 0.000 2.422 203 G HA2 -0.128 3.849 3.960 0.028 0.000 0.218 203 G HA3 -0.128 3.849 3.960 0.028 0.000 0.218 203 G C 1.531 176.641 174.900 0.351 0.000 1.146 203 G CA 1.009 46.364 45.100 0.426 0.000 0.769 203 G HN 0.453 nan 8.290 nan 0.000 0.547 204 L N 0.260 121.596 121.223 0.187 0.000 2.056 204 L HA -0.067 4.289 4.340 0.028 0.000 0.207 204 L C 2.954 179.963 176.870 0.232 0.000 1.078 204 L CA 0.435 55.373 54.840 0.163 0.000 0.749 204 L CB -0.790 41.353 42.059 0.139 0.000 0.901 204 L HN 0.058 nan 8.230 nan 0.000 0.433 205 V N 0.632 120.711 119.914 0.275 0.000 2.287 205 V HA -0.321 3.816 4.120 0.028 0.000 0.248 205 V C 2.834 179.087 176.094 0.265 0.000 1.053 205 V CA 1.970 64.467 62.300 0.328 0.000 1.027 205 V CB -0.944 31.100 31.823 0.367 0.000 0.646 205 V HN 0.500 nan 8.190 nan 0.000 0.447 206 A N -0.383 122.574 122.820 0.229 0.000 2.019 206 A HA 0.002 4.339 4.320 0.028 0.000 0.219 206 A C 2.130 179.745 177.584 0.052 0.000 1.164 206 A CA 1.833 53.814 52.037 -0.092 0.000 0.644 206 A CB -0.462 18.379 19.000 -0.265 0.000 0.805 206 A HN 0.629 nan 8.150 nan 0.000 0.449 207 A N -1.896 121.035 122.820 0.185 0.000 2.345 207 A HA 0.453 4.790 4.320 0.028 0.000 0.225 207 A C 1.581 179.230 177.584 0.109 0.000 1.243 207 A CA 0.974 53.111 52.037 0.167 0.000 0.875 207 A CB -0.813 18.287 19.000 0.166 0.000 0.929 207 A HN 1.832 nan 8.150 nan 0.000 0.502 208 G N -0.770 108.101 108.800 0.118 0.000 2.176 208 G HA2 -0.238 3.738 3.960 0.028 0.000 0.252 208 G HA3 -0.238 3.738 3.960 0.028 0.000 0.252 208 G C 0.484 175.449 174.900 0.109 0.000 1.024 208 G CA 0.594 45.760 45.100 0.109 0.000 0.755 208 G HN 0.551 nan 8.290 nan 0.000 0.507 209 L N -0.626 120.678 121.223 0.134 0.000 2.693 209 L HA 0.395 4.751 4.340 0.028 0.000 0.235 209 L C 0.878 177.851 176.870 0.171 0.000 1.127 209 L CA -0.254 54.656 54.840 0.115 0.000 0.914 209 L CB 0.353 42.462 42.059 0.083 0.000 1.193 209 L HN 0.402 nan 8.230 nan 0.000 0.502 210 H N 0.487 119.634 119.070 0.128 0.000 2.806 210 H HA 0.367 4.941 4.556 0.029 0.000 0.367 210 H C -2.692 172.759 175.328 0.205 0.000 1.136 210 H CA -1.918 54.225 56.048 0.159 0.000 1.178 210 H CB 2.746 32.625 29.762 0.195 0.000 1.718 210 H HN -0.258 nan 8.280 nan 0.000 0.540 211 P HA -0.074 nan 4.420 nan 0.000 0.264 211 P C -0.201 177.471 177.300 0.620 0.000 1.183 211 P CA 0.220 63.511 63.100 0.318 0.000 0.763 211 P CB 0.442 32.245 31.700 0.172 0.000 0.807 212 N N 4.550 123.515 118.700 0.441 0.000 2.442 212 N HA 0.077 4.834 4.740 0.028 0.000 0.265 212 N C -1.439 174.245 175.510 0.291 0.000 1.138 212 N CA -2.165 51.089 53.050 0.340 0.000 0.956 212 N CB 0.394 39.019 38.487 0.230 0.000 1.067 212 N HN 0.227 nan 8.380 nan 0.000 0.474 213 P HA -0.072 nan 4.420 nan 0.000 0.225 213 P C 1.353 178.564 177.300 -0.149 0.000 1.156 213 P CA 0.396 63.220 63.100 -0.461 0.000 0.787 213 P CB 0.488 31.509 31.700 -1.132 0.000 0.802 214 V N 2.804 122.663 119.914 -0.091 0.000 2.250 214 V HA -0.170 3.967 4.120 0.028 0.000 0.250 214 V C -0.043 175.988 176.094 -0.104 0.000 1.060 214 V CA 2.887 65.138 62.300 -0.082 0.000 1.030 214 V CB -2.641 29.167 31.823 -0.025 0.000 0.643 214 V HN 0.235 nan 8.190 nan 0.000 0.445 215 P HA -0.116 nan 4.420 nan 0.000 0.230 215 P C 0.870 177.914 177.300 -0.427 0.000 1.158 215 P CA 1.527 64.442 63.100 -0.310 0.000 0.769 215 P CB -0.060 31.385 31.700 -0.424 0.000 0.807 216 Y N -0.315 119.955 120.300 -0.049 0.000 2.535 216 Y HA 0.425 4.991 4.550 0.027 0.000 0.266 216 Y C 1.579 177.406 175.900 -0.121 0.000 1.088 216 Y CA -0.208 57.868 58.100 -0.039 0.000 1.285 216 Y CB -0.325 38.183 38.460 0.080 0.000 1.166 216 Y HN -0.149 nan 8.280 nan 0.000 0.525 217 A N -0.614 122.188 122.820 -0.030 0.000 2.312 217 A HA 0.385 4.722 4.320 0.028 0.000 0.326 217 A C -0.045 177.401 177.584 -0.230 0.000 1.172 217 A CA -0.401 51.577 52.037 -0.098 0.000 0.821 217 A CB 0.291 19.235 19.000 -0.093 0.000 1.166 217 A HN 0.458 nan 8.150 nan 0.000 0.493 218 H N 0.792 119.753 119.070 -0.183 0.000 2.389 218 H HA 0.114 4.687 4.556 0.027 0.000 0.299 218 H C -0.682 174.045 175.328 -1.001 0.000 1.081 218 H CA 2.032 57.730 56.048 -0.582 0.000 1.345 218 H CB -0.041 29.238 29.762 -0.805 0.000 1.393 218 H HN 0.571 nan 8.280 nan 0.000 0.520 219 F N -0.472 119.469 119.950 -0.016 0.000 2.547 219 F HA 0.473 5.016 4.527 0.027 0.000 0.316 219 F C -0.866 174.875 175.800 -0.097 0.000 1.121 219 F CA -1.213 56.740 58.000 -0.079 0.000 0.911 219 F CB 1.866 40.785 39.000 -0.135 0.000 1.179 219 F HN -0.345 nan 8.300 nan 0.000 0.443 220 V N 1.855 121.791 119.914 0.038 0.000 2.409 220 V HA 0.593 4.730 4.120 0.028 0.000 0.291 220 V C -0.181 175.863 176.094 -0.084 0.000 1.020 220 V CA -0.688 61.561 62.300 -0.084 0.000 0.848 220 V CB 1.888 33.596 31.823 -0.192 0.000 0.990 220 V HN 0.896 nan 8.190 nan 0.000 0.430 221 T N 0.882 115.381 114.554 -0.091 0.000 2.945 221 T HA 0.836 5.203 4.350 0.028 0.000 0.286 221 T C -0.307 174.317 174.700 -0.127 0.000 1.025 221 T CA -0.656 61.388 62.100 -0.094 0.000 1.039 221 T CB 2.128 70.953 68.868 -0.072 0.000 1.068 221 T HN 0.738 nan 8.240 nan 0.000 0.497 222 T N 0.461 114.942 114.554 -0.121 0.000 2.830 222 T HA 0.579 4.945 4.350 0.028 0.000 0.322 222 T C -0.691 173.942 174.700 -0.111 0.000 1.501 222 T CA -0.386 61.631 62.100 -0.139 0.000 1.036 222 T CB 1.347 70.087 68.868 -0.214 0.000 1.379 222 T HN 1.195 nan 8.240 nan 0.000 0.493 223 T N -0.044 114.410 114.554 -0.168 0.000 2.902 223 T HA 0.475 4.842 4.350 0.028 0.000 0.280 223 T C 1.391 175.996 174.700 -0.159 0.000 0.992 223 T CA 0.144 62.113 62.100 -0.218 0.000 1.015 223 T CB 1.061 69.574 68.868 -0.592 0.000 1.044 223 T HN 0.762 nan 8.240 nan 0.000 0.520 224 T N -2.123 112.410 114.554 -0.035 0.000 3.060 224 T HA 0.036 4.403 4.350 0.028 0.000 0.249 224 T C 1.252 175.989 174.700 0.062 0.000 1.079 224 T CA 0.178 62.332 62.100 0.090 0.000 1.013 224 T CB -0.462 68.502 68.868 0.160 0.000 0.975 224 T HN 0.921 nan 8.240 nan 0.000 0.518 225 H N -0.147 118.921 119.070 -0.002 0.000 2.652 225 H HA 0.467 5.041 4.556 0.030 0.000 0.274 225 H C 0.829 176.127 175.328 -0.050 0.000 1.021 225 H CA -0.497 55.536 56.048 -0.025 0.000 1.187 225 H CB 0.327 30.064 29.762 -0.042 0.000 1.505 225 H HN 0.272 nan 8.280 nan 0.000 0.530 226 K N 1.172 121.445 120.400 -0.211 0.000 3.730 226 K HA 0.055 4.392 4.320 0.028 0.000 0.166 226 K C 1.994 178.555 176.600 -0.065 0.000 1.148 226 K CA 0.777 56.950 56.287 -0.191 0.000 1.638 226 K CB -0.227 32.036 32.500 -0.396 0.000 2.264 226 K HN 0.139 nan 8.250 nan 0.000 0.518 227 T N 0.388 114.881 114.554 -0.101 0.000 2.929 227 T HA -0.095 4.271 4.350 0.028 0.000 0.271 227 T C 1.787 176.645 174.700 0.262 0.000 1.085 227 T CA 0.754 62.868 62.100 0.023 0.000 1.125 227 T CB -0.113 68.676 68.868 -0.133 0.000 0.874 227 T HN 0.079 nan 8.240 nan 0.000 0.494 228 L N 1.201 122.545 121.223 0.202 0.000 2.362 228 L HA 0.317 4.674 4.340 0.028 0.000 0.219 228 L C 1.611 178.633 176.870 0.253 0.000 1.134 228 L CA 0.950 55.952 54.840 0.271 0.000 0.807 228 L CB -1.232 40.950 42.059 0.205 0.000 0.927 228 L HN 0.444 nan 8.230 nan 0.000 0.447 229 R N -1.092 119.534 120.500 0.209 0.000 3.525 229 R HA -0.159 4.198 4.340 0.028 0.000 0.276 229 R C 0.448 176.804 176.300 0.093 0.000 1.116 229 R CA 0.445 56.640 56.100 0.159 0.000 0.745 229 R CB -1.677 28.753 30.300 0.218 0.000 1.185 229 R HN 0.552 nan 8.270 nan 0.000 0.454 230 G N 0.078 108.927 108.800 0.082 0.000 2.938 230 G HA2 0.687 4.664 3.960 0.028 0.000 0.258 230 G HA3 0.687 4.664 3.960 0.028 0.000 0.258 230 G C -2.602 172.320 174.900 0.037 0.000 1.356 230 G CA -0.992 44.123 45.100 0.025 0.000 1.052 230 G HN 0.123 nan 8.290 nan 0.000 0.550 231 P HA 0.155 nan 4.420 nan 0.000 0.272 231 P C -0.531 176.788 177.300 0.031 0.000 1.240 231 P CA -0.444 62.643 63.100 -0.022 0.000 0.791 231 P CB 0.960 32.612 31.700 -0.080 0.000 0.978 232 R N 0.432 120.896 120.500 -0.061 0.000 2.370 232 R HA 0.490 4.847 4.340 0.028 0.000 0.309 232 R C 0.360 176.648 176.300 -0.021 0.000 1.059 232 R CA 0.656 56.639 56.100 -0.195 0.000 0.981 232 R CB -0.595 29.474 30.300 -0.384 0.000 0.972 232 R HN 0.850 nan 8.270 nan 0.000 0.437 233 G N 1.373 110.295 108.800 0.205 0.000 2.315 233 G HA2 0.393 4.370 3.960 0.028 0.000 0.294 233 G HA3 0.393 4.370 3.960 0.028 0.000 0.294 233 G C -1.290 173.711 174.900 0.168 0.000 1.300 233 G CA -0.426 44.758 45.100 0.140 0.000 0.843 233 G HN 0.789 nan 8.290 nan 0.000 0.527 234 G N -1.391 107.467 108.800 0.096 0.000 2.788 234 G HA2 0.844 4.821 3.960 0.028 0.000 0.293 234 G HA3 0.844 4.821 3.960 0.028 0.000 0.293 234 G C -0.802 174.130 174.900 0.053 0.000 1.305 234 G CA -0.345 44.789 45.100 0.056 0.000 1.005 234 G HN 1.236 nan 8.290 nan 0.000 0.496 235 M N -0.284 119.328 119.600 0.020 0.000 2.490 235 M HA 0.597 5.093 4.480 0.028 0.000 0.286 235 M C -2.134 174.147 176.300 -0.031 0.000 1.185 235 M CA -0.638 54.673 55.300 0.018 0.000 0.912 235 M CB 2.172 34.801 32.600 0.050 0.000 1.744 235 M HN 0.406 nan 8.290 nan 0.000 0.494 236 I N 4.376 124.936 120.570 -0.017 0.000 2.509 236 I HA 0.513 4.700 4.170 0.028 0.000 0.293 236 I C -1.259 174.847 176.117 -0.019 0.000 1.020 236 I CA -0.723 60.571 61.300 -0.011 0.000 1.088 236 I CB 2.010 40.034 38.000 0.041 0.000 1.267 236 I HN 0.587 nan 8.210 nan 0.000 0.430 237 L N 5.996 127.199 121.223 -0.033 0.000 2.346 237 L HA 0.825 5.182 4.340 0.028 0.000 0.274 237 L C -0.550 176.359 176.870 0.065 0.000 1.007 237 L CA -0.634 54.193 54.840 -0.022 0.000 0.818 237 L CB 1.924 43.913 42.059 -0.116 0.000 1.284 237 L HN 0.818 nan 8.230 nan 0.000 0.424 238 C N -0.414 118.959 119.300 0.121 0.000 3.306 238 C HA 0.422 4.898 4.460 0.028 0.000 0.335 238 C C -0.797 174.291 174.990 0.163 0.000 1.382 238 C CA -1.072 58.035 59.018 0.148 0.000 1.254 238 C CB 1.654 29.561 27.740 0.278 0.000 1.555 238 C HN 0.894 nan 8.230 nan 0.000 0.463 239 Q N 0.806 120.711 119.800 0.174 0.000 2.392 239 Q HA 0.151 4.508 4.340 0.028 0.000 0.262 239 Q C 0.780 176.825 176.000 0.075 0.000 1.003 239 Q CA 0.073 55.944 55.803 0.112 0.000 0.888 239 Q CB 1.091 29.886 28.738 0.094 0.000 1.260 239 Q HN 0.814 nan 8.270 nan 0.000 0.435 240 E N 1.947 122.148 120.200 0.001 0.000 2.130 240 E HA -0.272 4.095 4.350 0.028 0.000 0.196 240 E C 1.858 178.375 176.600 -0.139 0.000 0.998 240 E CA 1.998 58.366 56.400 -0.052 0.000 0.806 240 E CB 0.069 29.741 29.700 -0.048 0.000 0.738 240 E HN 0.637 nan 8.360 nan 0.000 0.459 241 Q N -0.772 118.884 119.800 -0.240 0.000 2.297 241 Q HA -0.180 4.176 4.340 0.028 0.000 0.208 241 Q C 1.320 177.034 176.000 -0.476 0.000 0.981 241 Q CA 1.345 56.898 55.803 -0.417 0.000 0.876 241 Q CB -0.476 27.900 28.738 -0.603 0.000 0.921 241 Q HN 0.427 nan 8.270 nan 0.000 0.446 242 F N 0.315 120.261 119.950 -0.006 0.000 2.704 242 F HA 0.441 4.984 4.527 0.027 0.000 0.304 242 F C 2.273 178.070 175.800 -0.005 0.000 1.094 242 F CA -0.142 57.890 58.000 0.054 0.000 1.275 242 F CB -0.231 38.862 39.000 0.156 0.000 1.073 242 F HN 0.067 nan 8.300 nan 0.000 0.586 243 A N 0.845 123.640 122.820 -0.041 0.000 1.884 243 A HA -0.302 4.035 4.320 0.028 0.000 0.219 243 A C 2.345 179.748 177.584 -0.302 0.000 1.197 243 A CA 2.287 54.059 52.037 -0.441 0.000 0.637 243 A CB -0.711 17.784 19.000 -0.841 0.000 0.827 243 A HN 0.341 nan 8.150 nan 0.000 0.450 244 K N -0.790 119.508 120.400 -0.171 0.000 2.026 244 K HA -0.211 4.126 4.320 0.028 0.000 0.208 244 K C 2.320 178.917 176.600 -0.004 0.000 1.048 244 K CA 1.780 58.012 56.287 -0.092 0.000 0.929 244 K CB -0.203 32.266 32.500 -0.052 0.000 0.713 244 K HN 0.660 nan 8.250 nan 0.000 0.439 245 Q N 0.131 119.964 119.800 0.054 0.000 2.079 245 Q HA -0.116 4.240 4.340 0.028 0.000 0.200 245 Q C 2.095 178.159 176.000 0.107 0.000 0.974 245 Q CA 1.121 56.981 55.803 0.096 0.000 0.840 245 Q CB 0.026 28.851 28.738 0.145 0.000 0.898 245 Q HN 0.296 nan 8.270 nan 0.000 0.430 246 I N 1.311 121.959 120.570 0.131 0.000 2.179 246 I HA -0.244 3.943 4.170 0.028 0.000 0.242 246 I C 1.553 177.752 176.117 0.137 0.000 1.088 246 I CA 1.434 62.816 61.300 0.136 0.000 1.357 246 I CB -0.978 37.151 38.000 0.215 0.000 1.051 246 I HN 0.214 nan 8.210 nan 0.000 0.409 247 D N 0.922 121.367 120.400 0.075 0.000 2.123 247 D HA -0.172 4.484 4.640 0.028 0.000 0.196 247 D C 2.166 178.614 176.300 0.247 0.000 0.992 247 D CA 1.069 55.079 54.000 0.015 0.000 0.833 247 D CB -0.118 40.413 40.800 -0.448 0.000 0.954 247 D HN 0.158 nan 8.370 nan 0.000 0.455 248 K N 0.566 121.073 120.400 0.178 0.000 2.148 248 K HA 0.041 4.378 4.320 0.028 0.000 0.204 248 K C 1.976 178.698 176.600 0.204 0.000 1.050 248 K CA 0.716 57.123 56.287 0.200 0.000 0.942 248 K CB -0.343 32.237 32.500 0.133 0.000 0.724 248 K HN 0.080 nan 8.250 nan 0.000 0.446 249 A N 1.636 124.587 122.820 0.218 0.000 1.902 249 A HA -0.141 4.195 4.320 0.028 0.000 0.217 249 A C 2.152 179.826 177.584 0.150 0.000 1.181 249 A CA 1.118 53.324 52.037 0.283 0.000 0.623 249 A CB -0.348 18.810 19.000 0.263 0.000 0.818 249 A HN 0.090 nan 8.150 nan 0.000 0.443 250 I N -2.615 118.061 120.570 0.178 0.000 2.163 250 I HA -0.003 4.183 4.170 0.028 0.000 0.240 250 I C 0.595 176.847 176.117 0.224 0.000 1.081 250 I CA 1.363 62.759 61.300 0.160 0.000 1.353 250 I CB -0.625 37.508 38.000 0.222 0.000 1.054 250 I HN 0.345 nan 8.210 nan 0.000 0.407 251 F N 2.261 122.313 119.950 0.171 0.000 2.588 251 F HA 0.399 4.945 4.527 0.031 0.000 0.318 251 F C -2.235 173.690 175.800 0.209 0.000 1.155 251 F CA -1.837 56.243 58.000 0.134 0.000 0.967 251 F CB 1.991 41.033 39.000 0.069 0.000 1.236 251 F HN -0.239 nan 8.300 nan 0.000 0.455 252 P HA 0.170 nan 4.420 nan 0.000 0.255 252 P C 0.917 177.997 177.300 -0.367 0.000 1.357 252 P CA 0.540 63.018 63.100 -1.038 0.000 0.839 252 P CB 0.339 31.474 31.700 -0.941 0.000 1.356 253 G N 2.168 110.883 108.800 -0.141 0.000 2.464 253 G HA2 -0.175 3.802 3.960 0.028 0.000 0.214 253 G HA3 -0.175 3.802 3.960 0.028 0.000 0.214 253 G C 1.271 175.921 174.900 -0.417 0.000 1.218 253 G CA 1.016 46.022 45.100 -0.156 0.000 0.794 253 G HN 0.435 nan 8.290 nan 0.000 0.542 254 I N -3.493 116.889 120.570 -0.313 0.000 4.403 254 I HA 0.450 4.636 4.170 0.028 0.000 0.331 254 I C 0.530 176.576 176.117 -0.119 0.000 1.327 254 I CA -0.232 60.879 61.300 -0.314 0.000 1.175 254 I CB 0.601 38.371 38.000 -0.384 0.000 1.165 254 I HN 0.046 nan 8.210 nan 0.000 0.413 255 Q N 0.800 120.596 119.800 -0.006 0.000 2.552 255 Q HA 0.675 5.032 4.340 0.028 0.000 0.289 255 Q C -0.056 176.121 176.000 0.296 0.000 1.097 255 Q CA -0.480 55.380 55.803 0.097 0.000 0.812 255 Q CB 2.319 31.022 28.738 -0.058 0.000 1.460 255 Q HN 0.259 nan 8.270 nan 0.000 0.452 256 G N -0.486 108.501 108.800 0.312 0.000 3.306 256 G HA2 0.451 4.428 3.960 0.028 0.000 0.202 256 G HA3 0.451 4.428 3.960 0.028 0.000 0.202 256 G C -0.251 174.741 174.900 0.154 0.000 1.673 256 G CA -0.145 45.184 45.100 0.382 0.000 0.776 256 G HN 0.587 nan 8.290 nan 0.000 0.740 257 G N 2.100 111.027 108.800 0.211 0.000 2.313 257 G HA2 0.465 4.442 3.960 0.028 0.000 0.250 257 G HA3 0.465 4.442 3.960 0.028 0.000 0.250 257 G C -2.007 172.882 174.900 -0.018 0.000 1.281 257 G CA -0.267 44.840 45.100 0.013 0.000 0.917 257 G HN 0.373 nan 8.290 nan 0.000 0.501 258 P HA 0.153 nan 4.420 nan 0.000 0.274 258 P C -0.058 177.232 177.300 -0.016 0.000 1.237 258 P CA -0.442 62.649 63.100 -0.015 0.000 0.793 258 P CB 1.218 32.852 31.700 -0.110 0.000 0.977 259 L N 2.540 123.778 121.223 0.024 0.000 2.375 259 L HA 0.133 4.490 4.340 0.028 0.000 0.276 259 L C 1.819 178.612 176.870 -0.127 0.000 1.162 259 L CA -0.505 54.287 54.840 -0.081 0.000 0.991 259 L CB -0.195 41.730 42.059 -0.225 0.000 1.315 259 L HN 0.230 nan 8.230 nan 0.000 0.431 260 M N 1.373 120.980 119.600 0.012 0.000 2.213 260 M HA -0.156 4.341 4.480 0.028 0.000 0.263 260 M C 2.405 178.719 176.300 0.022 0.000 1.062 260 M CA 1.558 56.861 55.300 0.006 0.000 1.105 260 M CB -1.096 31.508 32.600 0.006 0.000 1.385 260 M HN 0.644 nan 8.290 nan 0.000 0.417 261 H N -0.740 118.287 119.070 -0.071 0.000 2.387 261 H HA 0.023 4.583 4.556 0.007 0.000 0.299 261 H C 2.071 177.361 175.328 -0.063 0.000 1.090 261 H CA 1.509 57.518 56.048 -0.064 0.000 1.332 261 H CB -1.441 28.281 29.762 -0.066 0.000 1.386 261 H HN 0.258 nan 8.280 nan 0.000 0.516 262 V N 1.553 121.139 119.914 -0.547 0.000 2.453 262 V HA -0.158 3.978 4.120 0.028 0.000 0.247 262 V C 2.966 178.937 176.094 -0.206 0.000 1.048 262 V CA 1.368 63.456 62.300 -0.353 0.000 1.049 262 V CB -0.560 31.035 31.823 -0.379 0.000 0.672 262 V HN 0.241 nan 8.190 nan 0.000 0.457 263 I N 0.675 121.146 120.570 -0.165 0.000 2.286 263 I HA -0.229 3.958 4.170 0.028 0.000 0.248 263 I C 2.684 178.728 176.117 -0.122 0.000 1.115 263 I CA 1.371 62.603 61.300 -0.114 0.000 1.392 263 I CB -0.539 37.426 38.000 -0.060 0.000 1.065 263 I HN 0.290 nan 8.210 nan 0.000 0.418 264 A N 0.852 123.618 122.820 -0.091 0.000 1.883 264 A HA -0.216 4.121 4.320 0.028 0.000 0.217 264 A C 2.553 180.064 177.584 -0.121 0.000 1.186 264 A CA 2.007 53.998 52.037 -0.076 0.000 0.624 264 A CB -0.887 18.095 19.000 -0.030 0.000 0.822 264 A HN 0.433 nan 8.150 nan 0.000 0.444 265 A N -0.395 122.345 122.820 -0.133 0.000 1.933 265 A HA -0.161 4.176 4.320 0.028 0.000 0.218 265 A C 2.097 179.523 177.584 -0.265 0.000 1.175 265 A CA 1.822 53.767 52.037 -0.153 0.000 0.628 265 A CB -0.419 18.508 19.000 -0.121 0.000 0.814 265 A HN 0.570 nan 8.150 nan 0.000 0.444 266 K N -0.286 119.900 120.400 -0.356 0.000 2.032 266 K HA -0.103 4.233 4.320 0.028 0.000 0.209 266 K C 2.363 178.334 176.600 -1.049 0.000 1.048 266 K CA 1.198 57.042 56.287 -0.739 0.000 0.927 266 K CB -0.387 31.747 32.500 -0.610 0.000 0.712 266 K HN 0.435 nan 8.250 nan 0.000 0.441 267 A N 1.157 123.663 122.820 -0.524 0.000 1.892 267 A HA -0.169 4.168 4.320 0.028 0.000 0.218 267 A C 2.410 179.874 177.584 -0.200 0.000 1.188 267 A CA 1.788 53.667 52.037 -0.263 0.000 0.631 267 A CB -0.842 18.104 19.000 -0.090 0.000 0.822 267 A HN 0.092 nan 8.150 nan 0.000 0.447 268 V N -0.205 119.594 119.914 -0.192 0.000 2.295 268 V HA -0.266 3.871 4.120 0.028 0.000 0.246 268 V C 3.068 179.087 176.094 -0.126 0.000 1.049 268 V CA 2.068 64.296 62.300 -0.119 0.000 1.024 268 V CB -1.379 30.387 31.823 -0.095 0.000 0.648 268 V HN 0.637 nan 8.190 nan 0.000 0.447 269 A N -0.437 122.257 122.820 -0.210 0.000 1.908 269 A HA -0.187 4.150 4.320 0.028 0.000 0.218 269 A C 2.141 179.698 177.584 -0.045 0.000 1.181 269 A CA 1.910 53.856 52.037 -0.151 0.000 0.627 269 A CB -0.770 18.118 19.000 -0.186 0.000 0.818 269 A HN 0.552 nan 8.150 nan 0.000 0.445 270 F N -0.042 119.846 119.950 -0.104 0.000 2.146 270 F HA -0.089 4.462 4.527 0.040 0.000 0.298 270 F C 2.741 178.450 175.800 -0.152 0.000 1.096 270 F CA 0.244 58.162 58.000 -0.137 0.000 1.275 270 F CB -0.601 38.355 39.000 -0.074 0.000 1.008 270 F HN 0.365 nan 8.300 nan 0.000 0.480 271 G N 0.343 109.183 108.800 0.066 0.000 2.446 271 G HA2 -0.257 3.720 3.960 0.028 0.000 0.217 271 G HA3 -0.257 3.720 3.960 0.028 0.000 0.217 271 G C 1.378 176.265 174.900 -0.022 0.000 1.168 271 G CA 0.993 46.099 45.100 0.011 0.000 0.771 271 G HN 0.349 nan 8.290 nan 0.000 0.551 272 E N 0.482 120.657 120.200 -0.041 0.000 2.077 272 E HA -0.036 4.330 4.350 0.028 0.000 0.193 272 E C 2.884 179.416 176.600 -0.113 0.000 0.989 272 E CA 0.796 57.174 56.400 -0.037 0.000 0.800 272 E CB -0.196 29.493 29.700 -0.018 0.000 0.746 272 E HN 0.424 nan 8.360 nan 0.000 0.452 273 A N 0.828 123.430 122.820 -0.363 0.000 2.067 273 A HA -0.087 4.250 4.320 0.028 0.000 0.219 273 A C 2.061 179.451 177.584 -0.324 0.000 1.158 273 A CA 0.759 52.286 52.037 -0.851 0.000 0.661 273 A CB -0.364 18.033 19.000 -1.005 0.000 0.801 273 A HN 0.136 nan 8.150 nan 0.000 0.452 274 L N -0.561 120.565 121.223 -0.162 0.000 2.395 274 L HA -0.055 4.302 4.340 0.028 0.000 0.218 274 L C 0.962 177.831 176.870 -0.002 0.000 1.130 274 L CA 0.183 54.976 54.840 -0.079 0.000 0.826 274 L CB -0.235 41.787 42.059 -0.062 0.000 0.941 274 L HN 0.478 nan 8.230 nan 0.000 0.451 275 Q N -0.179 119.642 119.800 0.036 0.000 2.354 275 Q HA -0.022 4.334 4.340 0.028 0.000 0.244 275 Q C 0.440 176.514 176.000 0.124 0.000 0.969 275 Q CA -0.533 55.315 55.803 0.076 0.000 0.885 275 Q CB 0.953 29.741 28.738 0.083 0.000 1.241 275 Q HN 0.025 nan 8.270 nan 0.000 0.461 276 D N 1.427 121.884 120.400 0.094 0.000 2.149 276 D HA -0.180 4.477 4.640 0.028 0.000 0.198 276 D C 1.271 177.643 176.300 0.120 0.000 0.990 276 D CA 1.490 55.547 54.000 0.095 0.000 0.839 276 D CB -0.093 40.746 40.800 0.064 0.000 0.948 276 D HN 0.647 nan 8.370 nan 0.000 0.460 277 D N -0.105 120.370 120.400 0.124 0.000 2.264 277 D HA -0.183 4.474 4.640 0.028 0.000 0.208 277 D C 1.966 178.375 176.300 0.181 0.000 0.966 277 D CA 0.278 54.353 54.000 0.126 0.000 0.864 277 D CB -0.996 39.864 40.800 0.101 0.000 0.933 277 D HN 0.263 nan 8.370 nan 0.000 0.499 278 F N 1.181 121.190 119.950 0.098 0.000 2.186 278 F HA -0.025 4.518 4.527 0.026 0.000 0.299 278 F C 2.007 177.913 175.800 0.177 0.000 1.090 278 F CA 1.113 59.208 58.000 0.159 0.000 1.307 278 F CB 0.093 39.159 39.000 0.110 0.000 1.019 278 F HN -0.232 nan 8.300 nan 0.000 0.489 279 K N 0.598 121.129 120.400 0.219 0.000 2.057 279 K HA -0.080 4.256 4.320 0.028 0.000 0.207 279 K C 2.275 178.873 176.600 -0.002 0.000 1.049 279 K CA 1.365 57.712 56.287 0.101 0.000 0.931 279 K CB -0.898 31.670 32.500 0.114 0.000 0.714 279 K HN 0.314 nan 8.250 nan 0.000 0.440 280 A N 0.068 122.905 122.820 0.030 0.000 1.902 280 A HA -0.212 4.125 4.320 0.028 0.000 0.217 280 A C 2.151 179.723 177.584 -0.019 0.000 1.181 280 A CA 1.628 53.674 52.037 0.014 0.000 0.623 280 A CB -0.921 18.108 19.000 0.048 0.000 0.818 280 A HN 0.447 nan 8.150 nan 0.000 0.443 281 Y N 0.860 121.074 120.300 -0.143 0.000 2.053 281 Y HA -0.181 4.389 4.550 0.033 0.000 0.277 281 Y C 2.606 178.355 175.900 -0.252 0.000 1.159 281 Y CA 1.626 59.605 58.100 -0.201 0.000 1.125 281 Y CB -0.850 37.441 38.460 -0.281 0.000 0.969 281 Y HN 0.289 nan 8.280 nan 0.000 0.492 282 A N 0.624 123.017 122.820 -0.713 0.000 1.940 282 A HA -0.260 4.077 4.320 0.028 0.000 0.219 282 A C 2.369 179.736 177.584 -0.362 0.000 1.176 282 A CA 2.099 53.736 52.037 -0.667 0.000 0.631 282 A CB -0.905 17.843 19.000 -0.421 0.000 0.814 282 A HN 0.610 nan 8.150 nan 0.000 0.446 283 K N -0.442 119.827 120.400 -0.218 0.000 2.057 283 K HA -0.143 4.193 4.320 0.028 0.000 0.207 283 K C 2.247 178.772 176.600 -0.124 0.000 1.049 283 K CA 1.319 57.536 56.287 -0.118 0.000 0.931 283 K CB -0.199 32.266 32.500 -0.058 0.000 0.714 283 K HN 0.447 nan 8.250 nan 0.000 0.440 284 R N 0.309 120.718 120.500 -0.152 0.000 2.096 284 R HA -0.097 4.260 4.340 0.028 0.000 0.235 284 R C 2.292 178.508 176.300 -0.140 0.000 1.127 284 R CA 1.308 57.344 56.100 -0.107 0.000 0.968 284 R CB -0.373 29.895 30.300 -0.053 0.000 0.861 284 R HN 0.075 nan 8.270 nan 0.000 0.440 285 V N 0.579 120.317 119.914 -0.293 0.000 2.255 285 V HA -0.253 3.884 4.120 0.028 0.000 0.247 285 V C 2.369 178.410 176.094 -0.089 0.000 1.051 285 V CA 1.861 64.019 62.300 -0.237 0.000 1.018 285 V CB -0.406 31.177 31.823 -0.399 0.000 0.641 285 V HN 0.125 nan 8.190 nan 0.000 0.445 286 V N -0.011 119.854 119.914 -0.081 0.000 2.358 286 V HA -0.225 3.912 4.120 0.028 0.000 0.246 286 V C 2.286 178.372 176.094 -0.014 0.000 1.047 286 V CA 2.094 64.383 62.300 -0.018 0.000 1.035 286 V CB -0.732 31.089 31.823 -0.004 0.000 0.658 286 V HN 0.541 nan 8.190 nan 0.000 0.452 287 D N 0.377 120.762 120.400 -0.026 0.000 2.104 287 D HA -0.154 4.502 4.640 0.028 0.000 0.194 287 D C 2.076 178.376 176.300 0.001 0.000 0.994 287 D CA 1.292 55.286 54.000 -0.011 0.000 0.830 287 D CB -0.429 40.363 40.800 -0.012 0.000 0.959 287 D HN 0.345 nan 8.370 nan 0.000 0.452 288 N N 0.520 119.221 118.700 0.001 0.000 2.120 288 N HA -0.098 4.659 4.740 0.028 0.000 0.188 288 N C 1.698 177.221 175.510 0.022 0.000 1.024 288 N CA 1.296 54.360 53.050 0.024 0.000 0.852 288 N CB -0.422 38.090 38.487 0.041 0.000 1.003 288 N HN 0.140 nan 8.380 nan 0.000 0.424 289 A N 1.198 124.025 122.820 0.012 0.000 1.902 289 A HA -0.140 4.197 4.320 0.028 0.000 0.217 289 A C 2.144 179.729 177.584 0.001 0.000 1.181 289 A CA 1.466 53.506 52.037 0.005 0.000 0.623 289 A CB -0.383 18.619 19.000 0.002 0.000 0.818 289 A HN 0.255 nan 8.150 nan 0.000 0.443 290 K N -1.032 119.370 120.400 0.003 0.000 2.057 290 K HA -0.148 4.189 4.320 0.028 0.000 0.207 290 K C 2.345 178.950 176.600 0.009 0.000 1.049 290 K CA 1.516 57.805 56.287 0.003 0.000 0.931 290 K CB -0.125 32.377 32.500 0.003 0.000 0.714 290 K HN 0.319 nan 8.250 nan 0.000 0.440 291 R N 1.270 121.778 120.500 0.013 0.000 2.075 291 R HA -0.095 4.262 4.340 0.028 0.000 0.232 291 R C 2.039 178.354 176.300 0.024 0.000 1.126 291 R CA 1.090 57.201 56.100 0.018 0.000 0.963 291 R CB -0.722 29.590 30.300 0.021 0.000 0.858 291 R HN 0.110 nan 8.270 nan 0.000 0.435 292 L N 0.317 121.555 121.223 0.024 0.000 2.046 292 L HA 0.016 4.373 4.340 0.028 0.000 0.208 292 L C 2.079 178.961 176.870 0.020 0.000 1.077 292 L CA 2.193 57.048 54.840 0.025 0.000 0.747 292 L CB -1.092 40.980 42.059 0.021 0.000 0.896 292 L HN 0.282 nan 8.230 nan 0.000 0.432 293 A N -1.420 121.407 122.820 0.012 0.000 1.865 293 A HA -0.229 4.108 4.320 0.028 0.000 0.217 293 A C 2.399 180.003 177.584 0.034 0.000 1.191 293 A CA 2.244 54.290 52.037 0.014 0.000 0.623 293 A CB -1.115 17.887 19.000 0.003 0.000 0.826 293 A HN 0.523 nan 8.150 nan 0.000 0.444 294 S N -0.221 115.496 115.700 0.029 0.000 2.368 294 S HA -0.048 4.439 4.470 0.028 0.000 0.225 294 S C 2.278 176.906 174.600 0.046 0.000 1.030 294 S CA 1.235 59.455 58.200 0.033 0.000 0.999 294 S CB -0.486 62.728 63.200 0.023 0.000 0.844 294 S HN 0.813 nan 8.310 nan 0.000 0.459 295 A N 1.196 124.045 122.820 0.048 0.000 1.930 295 A HA 0.040 4.377 4.320 0.028 0.000 0.217 295 A C 2.101 179.746 177.584 0.102 0.000 1.175 295 A CA 1.006 53.079 52.037 0.060 0.000 0.627 295 A CB -0.619 18.411 19.000 0.050 0.000 0.815 295 A HN 0.446 nan 8.150 nan 0.000 0.443 296 L N -1.006 120.288 121.223 0.120 0.000 2.056 296 L HA -0.236 4.120 4.340 0.028 0.000 0.207 296 L C 2.867 179.907 176.870 0.284 0.000 1.078 296 L CA 1.499 56.481 54.840 0.237 0.000 0.749 296 L CB -0.531 41.599 42.059 0.117 0.000 0.901 296 L HN 0.461 nan 8.230 nan 0.000 0.433 297 Q N -0.409 119.485 119.800 0.157 0.000 2.124 297 Q HA -0.237 4.120 4.340 0.028 0.000 0.202 297 Q C 2.029 178.067 176.000 0.064 0.000 0.977 297 Q CA 1.570 57.439 55.803 0.109 0.000 0.850 297 Q CB -0.292 28.488 28.738 0.069 0.000 0.901 297 Q HN 0.495 nan 8.270 nan 0.000 0.429 298 N N 0.396 119.132 118.700 0.060 0.000 2.205 298 N HA -0.187 4.570 4.740 0.028 0.000 0.186 298 N C 1.157 176.675 175.510 0.012 0.000 1.015 298 N CA 0.822 53.891 53.050 0.032 0.000 0.862 298 N CB 0.225 38.732 38.487 0.034 0.000 0.986 298 N HN 0.214 nan 8.380 nan 0.000 0.429 299 E N -0.299 119.924 120.200 0.039 0.000 2.427 299 E HA -0.012 4.355 4.350 0.028 0.000 0.196 299 E C 1.114 177.561 176.600 -0.255 0.000 1.028 299 E CA 0.711 57.084 56.400 -0.045 0.000 0.864 299 E CB -0.020 29.743 29.700 0.106 0.000 0.813 299 E HN 0.603 nan 8.360 nan 0.000 0.514 300 G N 0.789 109.478 108.800 -0.185 0.000 2.148 300 G HA2 -0.226 3.751 3.960 0.028 0.000 0.203 300 G HA3 -0.226 3.751 3.960 0.028 0.000 0.203 300 G C -0.083 174.660 174.900 -0.261 0.000 0.993 300 G CA -0.353 44.609 45.100 -0.229 0.000 0.661 300 G HN 0.116 nan 8.290 nan 0.000 0.518 301 F N 1.869 121.824 119.950 0.007 0.000 2.399 301 F HA 0.557 5.101 4.527 0.029 0.000 0.342 301 F C 1.192 176.999 175.800 0.011 0.000 1.106 301 F CA 0.046 58.051 58.000 0.008 0.000 1.196 301 F CB 1.288 40.292 39.000 0.007 0.000 1.163 301 F HN -0.078 nan 8.300 nan 0.000 0.547 302 T N 4.990 119.675 114.554 0.219 0.000 2.806 302 T HA 0.517 4.884 4.350 0.028 0.000 0.290 302 T C -0.133 174.641 174.700 0.123 0.000 0.966 302 T CA -0.488 61.694 62.100 0.137 0.000 1.060 302 T CB 0.305 69.237 68.868 0.106 0.000 0.927 302 T HN 0.275 nan 8.240 nan 0.000 0.485 303 L N 3.229 124.509 121.223 0.095 0.000 2.307 303 L HA 0.470 4.827 4.340 0.028 0.000 0.284 303 L C 0.173 177.089 176.870 0.077 0.000 1.023 303 L CA -1.290 53.586 54.840 0.059 0.000 0.810 303 L CB 1.521 43.605 42.059 0.041 0.000 1.231 303 L HN 0.330 nan 8.230 nan 0.000 0.423 304 V N 3.080 123.011 119.914 0.028 0.000 2.557 304 V HA -0.093 4.044 4.120 0.028 0.000 0.301 304 V C 1.190 177.373 176.094 0.148 0.000 1.026 304 V CA 1.341 63.655 62.300 0.023 0.000 1.137 304 V CB 0.832 32.564 31.823 -0.152 0.000 0.917 304 V HN 1.183 nan 8.190 nan 0.000 0.484 305 S N 2.520 118.478 115.700 0.429 0.000 2.929 305 S HA -0.212 4.275 4.470 0.028 0.000 0.271 305 S C 1.337 175.989 174.600 0.087 0.000 1.295 305 S CA 1.193 59.517 58.200 0.206 0.000 1.277 305 S CB -1.926 61.324 63.200 0.084 0.000 1.557 305 S HN 2.846 nan 8.310 nan 0.000 0.666 306 G N -0.358 108.499 108.800 0.095 0.000 2.148 306 G HA2 0.316 4.293 3.960 0.028 0.000 0.254 306 G HA3 0.316 4.293 3.960 0.028 0.000 0.254 306 G C 0.951 175.868 174.900 0.027 0.000 0.981 306 G CA 0.619 45.749 45.100 0.050 0.000 0.670 306 G HN 2.638 nan 8.290 nan 0.000 0.528 307 G N -2.633 106.176 108.800 0.016 0.000 2.439 307 G HA2 0.628 4.604 3.960 0.028 0.000 0.186 307 G HA3 0.628 4.604 3.960 0.028 0.000 0.186 307 G C -0.509 174.371 174.900 -0.032 0.000 1.260 307 G CA 0.916 46.014 45.100 -0.004 0.000 1.020 307 G HN 1.873 nan 8.290 nan 0.000 0.470 308 T N -0.805 113.726 114.554 -0.037 0.000 2.942 308 T HA 0.558 4.925 4.350 0.028 0.000 0.327 308 T C -1.146 173.532 174.700 -0.036 0.000 1.360 308 T CA 0.133 62.200 62.100 -0.056 0.000 1.055 308 T CB 1.831 70.664 68.868 -0.058 0.000 1.261 308 T HN 0.310 nan 8.240 nan 0.000 0.485 309 D N 1.998 122.376 120.400 -0.037 0.000 2.407 309 D HA 0.183 4.839 4.640 0.028 0.000 0.208 309 D C 0.750 177.082 176.300 0.054 0.000 1.083 309 D CA 0.325 54.324 54.000 -0.002 0.000 0.844 309 D CB 0.535 41.326 40.800 -0.014 0.000 0.967 309 D HN 0.672 nan 8.370 nan 0.000 0.506 310 N N -0.682 118.057 118.700 0.064 0.000 3.492 310 N HA -0.018 4.739 4.740 0.028 0.000 0.352 310 N C 0.993 176.586 175.510 0.138 0.000 1.517 310 N CA -0.307 52.841 53.050 0.164 0.000 0.629 310 N CB -0.275 38.394 38.487 0.302 0.000 2.162 310 N HN -0.147 nan 8.380 nan 0.000 0.598 311 H N -1.003 118.087 119.070 0.034 0.000 2.563 311 H HA 0.323 4.895 4.556 0.028 0.000 0.264 311 H C 0.002 175.344 175.328 0.022 0.000 0.957 311 H CA -0.143 55.916 56.048 0.017 0.000 1.173 311 H CB -0.371 29.410 29.762 0.032 0.000 1.420 311 H HN 0.509 nan 8.280 nan 0.000 0.551 312 L N 0.200 121.133 121.223 -0.483 0.000 2.354 312 L HA 0.664 5.020 4.340 0.028 0.000 0.264 312 L C -1.218 175.519 176.870 -0.221 0.000 1.008 312 L CA -1.562 53.025 54.840 -0.422 0.000 0.819 312 L CB 2.330 44.006 42.059 -0.639 0.000 1.339 312 L HN 0.039 nan 8.230 nan 0.000 0.420 313 L N 0.582 121.711 121.223 -0.156 0.000 2.376 313 L HA 0.788 5.144 4.340 0.028 0.000 0.258 313 L C -1.541 175.269 176.870 -0.101 0.000 1.013 313 L CA -0.826 53.947 54.840 -0.112 0.000 0.822 313 L CB 2.057 44.069 42.059 -0.079 0.000 1.388 313 L HN 0.698 nan 8.230 nan 0.000 0.413 314 L N 2.268 123.440 121.223 -0.085 0.000 2.343 314 L HA 0.620 4.976 4.340 0.028 0.000 0.278 314 L C -0.907 175.922 176.870 -0.067 0.000 0.996 314 L CA -0.921 53.871 54.840 -0.079 0.000 0.831 314 L CB 2.137 44.149 42.059 -0.079 0.000 1.232 314 L HN 0.540 nan 8.230 nan 0.000 0.413 315 V N 2.301 122.167 119.914 -0.079 0.000 2.432 315 V HA 0.097 4.234 4.120 0.028 0.000 0.271 315 V C 0.014 176.091 176.094 -0.029 0.000 1.046 315 V CA -0.457 61.805 62.300 -0.064 0.000 0.945 315 V CB 1.376 33.102 31.823 -0.162 0.000 0.992 315 V HN 0.598 nan 8.190 nan 0.000 0.471 316 D N 4.653 125.059 120.400 0.010 0.000 2.365 316 D HA 0.204 4.861 4.640 0.028 0.000 0.237 316 D C 0.639 176.981 176.300 0.069 0.000 1.190 316 D CA -0.041 53.972 54.000 0.021 0.000 0.867 316 D CB 1.064 41.878 40.800 0.024 0.000 1.050 316 D HN 0.457 nan 8.370 nan 0.000 0.491 317 L N 3.560 124.819 121.223 0.059 0.000 2.591 317 L HA 0.160 4.516 4.340 0.028 0.000 0.228 317 L C 2.342 179.260 176.870 0.080 0.000 1.133 317 L CA -0.101 54.796 54.840 0.096 0.000 0.880 317 L CB -0.025 42.076 42.059 0.071 0.000 1.033 317 L HN 0.289 nan 8.230 nan 0.000 0.450 318 R N 0.632 121.167 120.500 0.058 0.000 2.103 318 R HA -0.189 4.168 4.340 0.028 0.000 0.242 318 R C -0.423 175.904 176.300 0.045 0.000 1.142 318 R CA 1.628 57.755 56.100 0.047 0.000 0.960 318 R CB -1.555 28.770 30.300 0.041 0.000 0.858 318 R HN 0.321 nan 8.270 nan 0.000 0.439 319 P HA -0.133 nan 4.420 nan 0.000 0.219 319 P C 0.557 177.870 177.300 0.022 0.000 1.146 319 P CA 1.258 64.377 63.100 0.031 0.000 0.808 319 P CB 0.136 31.854 31.700 0.031 0.000 0.779 320 Q N -1.306 118.521 119.800 0.044 0.000 2.360 320 Q HA 0.098 4.455 4.340 0.028 0.000 0.202 320 Q C 0.222 176.245 176.000 0.038 0.000 0.915 320 Q CA 0.145 55.970 55.803 0.038 0.000 0.943 320 Q CB -0.469 28.320 28.738 0.084 0.000 1.064 320 Q HN 0.039 nan 8.270 nan 0.000 0.511 321 Q N -0.263 119.559 119.800 0.036 0.000 2.435 321 Q HA -0.214 4.143 4.340 0.028 0.000 0.312 321 Q C -1.010 175.011 176.000 0.034 0.000 1.333 321 Q CA 0.867 56.688 55.803 0.030 0.000 0.883 321 Q CB -1.955 26.796 28.738 0.021 0.000 1.170 321 Q HN 0.406 nan 8.270 nan 0.000 0.443 322 L N -0.142 121.108 121.223 0.045 0.000 2.342 322 L HA 0.523 4.880 4.340 0.028 0.000 0.271 322 L C 1.001 177.892 176.870 0.035 0.000 1.008 322 L CA -0.689 54.176 54.840 0.043 0.000 0.818 322 L CB 1.889 43.984 42.059 0.060 0.000 1.296 322 L HN 0.144 nan 8.230 nan 0.000 0.427 323 T N -1.708 112.861 114.554 0.025 0.000 2.899 323 T HA 0.257 4.623 4.350 0.028 0.000 0.284 323 T C 1.251 175.959 174.700 0.012 0.000 1.004 323 T CA -0.090 62.020 62.100 0.017 0.000 1.043 323 T CB 1.619 70.495 68.868 0.012 0.000 1.013 323 T HN 0.701 nan 8.240 nan 0.000 0.518 324 G N 0.323 109.125 108.800 0.004 0.000 2.442 324 G HA2 -0.220 3.757 3.960 0.028 0.000 0.219 324 G HA3 -0.220 3.757 3.960 0.028 0.000 0.219 324 G C 1.367 176.265 174.900 -0.003 0.000 1.141 324 G CA 0.936 46.033 45.100 -0.005 0.000 0.763 324 G HN 0.857 nan 8.290 nan 0.000 0.554 325 K N -0.182 120.218 120.400 -0.000 0.000 2.032 325 K HA -0.114 4.222 4.320 0.028 0.000 0.209 325 K C 2.564 179.167 176.600 0.005 0.000 1.048 325 K CA 1.782 58.069 56.287 0.001 0.000 0.927 325 K CB -0.369 32.132 32.500 0.002 0.000 0.712 325 K HN 0.272 nan 8.250 nan 0.000 0.441 326 T N 0.780 115.339 114.554 0.009 0.000 2.708 326 T HA -0.134 4.233 4.350 0.028 0.000 0.266 326 T C 1.856 176.564 174.700 0.014 0.000 1.037 326 T CA 1.406 63.514 62.100 0.013 0.000 1.146 326 T CB -0.326 68.553 68.868 0.018 0.000 0.865 326 T HN 0.440 nan 8.240 nan 0.000 0.435 327 A N 1.373 124.200 122.820 0.012 0.000 1.877 327 A HA -0.164 4.173 4.320 0.028 0.000 0.216 327 A C 2.218 179.801 177.584 -0.001 0.000 1.186 327 A CA 2.050 54.092 52.037 0.008 0.000 0.620 327 A CB -0.755 18.243 19.000 -0.003 0.000 0.822 327 A HN 0.637 nan 8.150 nan 0.000 0.443 328 E N -0.083 120.114 120.200 -0.005 0.000 2.070 328 E HA -0.293 4.074 4.350 0.028 0.000 0.197 328 E C 2.112 178.713 176.600 0.002 0.000 1.004 328 E CA 1.793 58.190 56.400 -0.005 0.000 0.805 328 E CB -0.178 29.519 29.700 -0.005 0.000 0.744 328 E HN 0.628 nan 8.360 nan 0.000 0.451 329 K N 0.234 120.637 120.400 0.005 0.000 2.002 329 K HA -0.134 4.203 4.320 0.028 0.000 0.209 329 K C 2.188 178.794 176.600 0.010 0.000 1.048 329 K CA 1.427 57.719 56.287 0.007 0.000 0.930 329 K CB -0.259 32.246 32.500 0.008 0.000 0.714 329 K HN 0.155 nan 8.250 nan 0.000 0.438 330 V N 1.479 121.400 119.914 0.013 0.000 2.427 330 V HA -0.177 3.960 4.120 0.028 0.000 0.248 330 V C 2.116 178.220 176.094 0.016 0.000 1.051 330 V CA 1.399 63.709 62.300 0.017 0.000 1.048 330 V CB -0.179 31.658 31.823 0.022 0.000 0.666 330 V HN 0.343 nan 8.190 nan 0.000 0.456 331 L N 0.127 121.357 121.223 0.012 0.000 2.083 331 L HA -0.178 4.179 4.340 0.028 0.000 0.209 331 L C 2.354 179.231 176.870 0.012 0.000 1.083 331 L CA 2.176 57.022 54.840 0.010 0.000 0.752 331 L CB -0.689 41.369 42.059 -0.001 0.000 0.899 331 L HN 0.462 nan 8.230 nan 0.000 0.433 332 D N 0.232 120.638 120.400 0.011 0.000 2.149 332 D HA -0.238 4.419 4.640 0.028 0.000 0.198 332 D C 1.970 178.279 176.300 0.014 0.000 0.990 332 D CA 1.288 55.295 54.000 0.012 0.000 0.839 332 D CB 0.111 40.917 40.800 0.010 0.000 0.948 332 D HN 0.321 nan 8.370 nan 0.000 0.460 333 E N -0.583 119.626 120.200 0.014 0.000 2.265 333 E HA -0.121 4.246 4.350 0.028 0.000 0.196 333 E C 1.955 178.565 176.600 0.017 0.000 0.996 333 E CA 1.155 57.565 56.400 0.015 0.000 0.832 333 E CB 0.161 29.870 29.700 0.015 0.000 0.756 333 E HN 0.464 nan 8.360 nan 0.000 0.491 334 V N -3.825 116.101 119.914 0.019 0.000 3.578 334 V HA 0.464 4.600 4.120 0.028 0.000 0.290 334 V C 1.070 177.179 176.094 0.024 0.000 1.376 334 V CA 0.395 62.708 62.300 0.022 0.000 1.083 334 V CB 0.329 32.167 31.823 0.025 0.000 0.911 334 V HN 0.219 nan 8.190 nan 0.000 0.433 335 G N 0.998 109.811 108.800 0.023 0.000 2.131 335 G HA2 -0.184 3.792 3.960 0.028 0.000 0.223 335 G HA3 -0.184 3.792 3.960 0.028 0.000 0.223 335 G C -0.223 174.695 174.900 0.029 0.000 0.990 335 G CA 0.163 45.279 45.100 0.026 0.000 0.671 335 G HN 0.599 nan 8.290 nan 0.000 0.521 336 I N 2.071 122.657 120.570 0.026 0.000 2.330 336 I HA 0.333 4.519 4.170 0.028 0.000 0.289 336 I C 0.150 176.277 176.117 0.016 0.000 1.001 336 I CA -0.583 60.732 61.300 0.025 0.000 1.193 336 I CB 1.729 39.743 38.000 0.022 0.000 1.345 336 I HN 0.024 nan 8.210 nan 0.000 0.461 337 T N 6.566 121.130 114.554 0.017 0.000 2.727 337 T HA 0.464 4.831 4.350 0.028 0.000 0.298 337 T C 0.057 174.759 174.700 0.003 0.000 0.942 337 T CA -0.518 61.589 62.100 0.012 0.000 0.997 337 T CB 0.807 69.686 68.868 0.018 0.000 0.917 337 T HN 0.445 nan 8.240 nan 0.000 0.487 338 V N 1.414 121.326 119.914 -0.003 0.000 3.158 338 V HA 0.724 4.861 4.120 0.028 0.000 0.311 338 V C -0.971 175.119 176.094 -0.006 0.000 1.181 338 V CA -1.494 60.800 62.300 -0.011 0.000 1.054 338 V CB 2.158 33.963 31.823 -0.030 0.000 1.085 338 V HN 0.704 nan 8.190 nan 0.000 0.446 339 N N 0.850 119.545 118.700 -0.008 0.000 2.362 339 N HA 0.493 5.249 4.740 0.028 0.000 0.298 339 N C -1.000 174.502 175.510 -0.014 0.000 1.048 339 N CA -0.969 52.079 53.050 -0.004 0.000 0.858 339 N CB 1.704 40.195 38.487 0.007 0.000 1.218 339 N HN 0.887 nan 8.380 nan 0.000 0.488 340 K N 0.647 121.040 120.400 -0.012 0.000 2.414 340 K HA 0.157 4.494 4.320 0.028 0.000 0.272 340 K C -0.808 175.781 176.600 -0.017 0.000 0.993 340 K CA -0.107 56.170 56.287 -0.016 0.000 0.964 340 K CB 0.429 32.923 32.500 -0.011 0.000 0.925 340 K HN 0.525 nan 8.250 nan 0.000 0.487 341 N N 0.664 119.350 118.700 -0.023 0.000 2.452 341 N HA 0.116 4.873 4.740 0.028 0.000 0.277 341 N C -1.673 173.818 175.510 -0.031 0.000 1.078 341 N CA -0.498 52.536 53.050 -0.026 0.000 0.947 341 N CB 2.025 40.493 38.487 -0.032 0.000 1.655 341 N HN 0.647 nan 8.380 nan 0.000 0.490 342 T N 2.939 117.475 114.554 -0.030 0.000 2.946 342 T HA 0.195 4.561 4.350 0.028 0.000 0.311 342 T C 0.473 175.145 174.700 -0.047 0.000 1.063 342 T CA 0.208 62.288 62.100 -0.032 0.000 1.139 342 T CB -0.206 68.644 68.868 -0.030 0.000 0.994 342 T HN 0.402 nan 8.240 nan 0.000 0.547 343 I N 1.082 121.616 120.570 -0.060 0.000 2.793 343 I HA 0.631 4.818 4.170 0.028 0.000 0.313 343 I C -2.761 173.271 176.117 -0.142 0.000 0.998 343 I CA -3.527 57.709 61.300 -0.107 0.000 1.140 343 I CB 1.180 39.111 38.000 -0.114 0.000 1.327 343 I HN 0.285 nan 8.210 nan 0.000 0.491 344 P HA 0.051 nan 4.420 nan 0.000 0.265 344 P C -1.232 175.942 177.300 -0.211 0.000 1.193 344 P CA 0.656 63.469 63.100 -0.478 0.000 0.765 344 P CB -0.178 31.213 31.700 -0.514 0.000 0.823 345 Y N -0.828 119.403 120.300 -0.114 0.000 3.929 345 Y HA -0.265 4.302 4.550 0.028 0.000 0.225 345 Y C 0.802 176.705 175.900 0.004 0.000 1.200 345 Y CA 0.320 58.424 58.100 0.007 0.000 1.791 345 Y CB -2.354 36.110 38.460 0.008 0.000 1.561 345 Y HN 0.388 nan 8.280 nan 0.000 0.657 346 D N 2.108 122.540 120.400 0.053 0.000 2.450 346 D HA 0.025 4.682 4.640 0.028 0.000 0.247 346 D C -0.771 175.560 176.300 0.052 0.000 1.162 346 D CA -0.960 53.062 54.000 0.037 0.000 0.879 346 D CB 1.100 41.901 40.800 0.002 0.000 1.163 346 D HN 0.171 nan 8.370 nan 0.000 0.472 347 P HA 0.001 nan 4.420 nan 0.000 0.233 347 P C -0.024 177.293 177.300 0.028 0.000 1.167 347 P CA 0.471 63.598 63.100 0.045 0.000 0.770 347 P CB 0.605 32.330 31.700 0.042 0.000 0.837 348 E N 0.647 120.859 120.200 0.020 0.000 2.283 348 E HA 0.226 4.592 4.350 0.028 0.000 0.271 348 E C 0.502 177.105 176.600 0.005 0.000 1.031 348 E CA -0.380 56.027 56.400 0.012 0.000 0.868 348 E CB 1.154 30.859 29.700 0.008 0.000 1.094 348 E HN 0.090 nan 8.360 nan 0.000 0.401 349 S N 1.340 117.041 115.700 0.001 0.000 2.580 349 S HA 0.073 4.559 4.470 0.028 0.000 0.266 349 S C -1.614 172.980 174.600 -0.011 0.000 1.354 349 S CA -0.913 57.284 58.200 -0.005 0.000 1.008 349 S CB 0.546 63.742 63.200 -0.006 0.000 0.898 349 S HN 0.267 nan 8.310 nan 0.000 0.555 350 P HA 0.039 nan 4.420 nan 0.000 0.225 350 P C 1.385 178.673 177.300 -0.020 0.000 1.148 350 P CA 1.418 64.503 63.100 -0.024 0.000 0.779 350 P CB -0.610 31.069 31.700 -0.035 0.000 0.780 351 G N -0.690 108.101 108.800 -0.016 0.000 2.572 351 G HA2 0.004 3.981 3.960 0.028 0.000 0.216 351 G HA3 0.004 3.981 3.960 0.028 0.000 0.216 351 G C 1.329 176.225 174.900 -0.008 0.000 1.133 351 G CA 0.341 45.434 45.100 -0.012 0.000 0.791 351 G HN 0.220 nan 8.290 nan 0.000 0.538 352 V N -0.257 119.653 119.914 -0.006 0.000 2.950 352 V HA 0.223 4.360 4.120 0.028 0.000 0.231 352 V C 1.157 177.249 176.094 -0.003 0.000 1.205 352 V CA 1.412 63.710 62.300 -0.003 0.000 1.239 352 V CB -0.174 31.650 31.823 0.001 0.000 1.050 352 V HN 0.782 nan 8.190 nan 0.000 0.498 353 T N -0.783 113.768 114.554 -0.004 0.000 0.541 353 T HA -0.226 4.141 4.350 0.028 0.000 0.774 353 T C 0.162 174.861 174.700 -0.002 0.000 0.992 353 T CA 0.407 62.503 62.100 -0.007 0.000 4.077 353 T CB -1.417 67.442 68.868 -0.014 0.000 2.303 353 T HN 0.346 nan 8.240 nan 0.000 0.398 354 S N 1.175 116.873 115.700 -0.004 0.000 2.593 354 S HA 0.583 5.069 4.470 0.028 0.000 0.236 354 S C 0.766 175.363 174.600 -0.004 0.000 0.991 354 S CA -0.047 58.155 58.200 0.003 0.000 0.963 354 S CB 0.606 63.811 63.200 0.009 0.000 0.865 354 S HN 1.234 nan 8.310 nan 0.000 0.488 355 G N 1.534 110.324 108.800 -0.017 0.000 2.694 355 G HA2 0.723 4.699 3.960 0.028 0.000 0.290 355 G HA3 0.723 4.699 3.960 0.028 0.000 0.290 355 G C -1.249 173.628 174.900 -0.037 0.000 1.386 355 G CA -0.902 44.180 45.100 -0.030 0.000 0.872 355 G HN 0.307 nan 8.290 nan 0.000 0.475 356 I N -1.852 118.685 120.570 -0.055 0.000 2.545 356 I HA 0.743 4.929 4.170 0.028 0.000 0.292 356 I C -0.335 175.741 176.117 -0.068 0.000 1.040 356 I CA -1.207 60.057 61.300 -0.060 0.000 1.068 356 I CB 2.468 40.424 38.000 -0.074 0.000 1.251 356 I HN 0.446 nan 8.210 nan 0.000 0.424 357 R N 5.760 126.228 120.500 -0.053 0.000 2.368 357 R HA 0.773 5.130 4.340 0.028 0.000 0.302 357 R C -1.565 174.705 176.300 -0.051 0.000 1.002 357 R CA -0.518 55.548 56.100 -0.056 0.000 0.929 357 R CB 1.288 31.562 30.300 -0.043 0.000 1.073 357 R HN 0.823 nan 8.270 nan 0.000 0.464 358 I N 2.472 123.003 120.570 -0.065 0.000 2.582 358 I HA 0.476 4.663 4.170 0.028 0.000 0.292 358 I C -0.102 175.980 176.117 -0.058 0.000 1.066 358 I CA -0.758 60.510 61.300 -0.053 0.000 1.053 358 I CB 2.540 40.500 38.000 -0.067 0.000 1.241 358 I HN 0.788 nan 8.210 nan 0.000 0.421 359 G N 1.215 110.002 108.800 -0.022 0.000 2.619 359 G HA2 0.498 4.474 3.960 0.028 0.000 0.296 359 G HA3 0.498 4.474 3.960 0.028 0.000 0.296 359 G C 0.066 174.985 174.900 0.031 0.000 1.334 359 G CA -0.259 44.839 45.100 -0.004 0.000 0.934 359 G HN 0.585 nan 8.290 nan 0.000 0.476 360 T N -2.020 112.566 114.554 0.054 0.000 3.069 360 T HA 0.360 4.727 4.350 0.028 0.000 0.252 360 T C 2.186 176.920 174.700 0.058 0.000 1.053 360 T CA 1.233 63.363 62.100 0.050 0.000 0.964 360 T CB 0.620 69.513 68.868 0.042 0.000 1.005 360 T HN 0.757 nan 8.240 nan 0.000 0.532 361 A N 1.984 124.855 122.820 0.085 0.000 1.883 361 A HA 0.213 4.550 4.320 0.028 0.000 0.217 361 A C 2.716 180.378 177.584 0.129 0.000 1.186 361 A CA 1.913 54.015 52.037 0.108 0.000 0.624 361 A CB -1.386 17.680 19.000 0.111 0.000 0.822 361 A HN 0.729 nan 8.150 nan 0.000 0.444 362 A N -0.154 122.662 122.820 -0.007 0.000 1.855 362 A HA 0.011 4.348 4.320 0.028 0.000 0.215 362 A C 2.345 179.978 177.584 0.082 0.000 1.191 362 A CA 2.351 54.316 52.037 -0.120 0.000 0.613 362 A CB -1.361 17.405 19.000 -0.390 0.000 0.829 362 A HN 1.155 nan 8.150 nan 0.000 0.442 363 V N -2.265 117.633 119.914 -0.027 0.000 2.490 363 V HA -0.190 3.947 4.120 0.028 0.000 0.250 363 V C 2.164 178.209 176.094 -0.082 0.000 1.061 363 V CA 2.684 64.832 62.300 -0.253 0.000 1.064 363 V CB -1.946 29.687 31.823 -0.317 0.000 0.670 363 V HN 0.436 nan 8.190 nan 0.000 0.461 364 T N 0.495 115.113 114.554 0.106 0.000 2.777 364 T HA -0.154 4.213 4.350 0.028 0.000 0.266 364 T C 1.956 176.846 174.700 0.316 0.000 1.040 364 T CA 2.207 64.435 62.100 0.213 0.000 1.141 364 T CB -0.664 68.287 68.868 0.138 0.000 0.868 364 T HN 0.641 nan 8.240 nan 0.000 0.444 365 T N 1.828 116.593 114.554 0.352 0.000 2.759 365 T HA -0.088 4.279 4.350 0.028 0.000 0.269 365 T C 1.993 176.770 174.700 0.129 0.000 1.042 365 T CA 0.981 63.186 62.100 0.175 0.000 1.140 365 T CB -0.192 68.761 68.868 0.142 0.000 0.864 365 T HN 0.350 nan 8.240 nan 0.000 0.455 366 R N 0.104 120.670 120.500 0.109 0.000 2.280 366 R HA 0.105 4.462 4.340 0.028 0.000 0.207 366 R C 1.805 178.180 176.300 0.126 0.000 1.043 366 R CA 0.657 56.763 56.100 0.011 0.000 1.006 366 R CB -0.035 30.135 30.300 -0.216 0.000 0.885 366 R HN 0.525 nan 8.270 nan 0.000 0.467 367 G N -0.076 108.837 108.800 0.189 0.000 2.159 367 G HA2 -0.257 3.720 3.960 0.028 0.000 0.227 367 G HA3 -0.257 3.720 3.960 0.028 0.000 0.227 367 G C 0.172 175.277 174.900 0.342 0.000 0.986 367 G CA -0.625 44.614 45.100 0.232 0.000 0.651 367 G HN 0.250 nan 8.290 nan 0.000 0.523 368 F N 1.077 121.069 119.950 0.069 0.000 2.518 368 F HA 0.431 4.976 4.527 0.030 0.000 0.359 368 F C 1.507 177.334 175.800 0.045 0.000 1.118 368 F CA 0.279 58.310 58.000 0.051 0.000 1.287 368 F CB 0.975 40.007 39.000 0.054 0.000 1.132 368 F HN 0.224 nan 8.300 nan 0.000 0.587 369 G N 2.199 111.086 108.800 0.145 0.000 3.209 369 G HA2 0.409 4.386 3.960 0.028 0.000 0.236 369 G HA3 0.409 4.386 3.960 0.028 0.000 0.236 369 G C 0.530 175.460 174.900 0.050 0.000 1.329 369 G CA -0.813 44.337 45.100 0.084 0.000 1.015 369 G HN 0.575 nan 8.290 nan 0.000 0.571 370 L N -0.261 120.979 121.223 0.028 0.000 2.046 370 L HA -0.060 4.297 4.340 0.028 0.000 0.208 370 L C 2.761 179.632 176.870 0.002 0.000 1.077 370 L CA 1.392 56.243 54.840 0.019 0.000 0.747 370 L CB -0.455 41.612 42.059 0.013 0.000 0.896 370 L HN 0.581 nan 8.230 nan 0.000 0.432 371 E N 0.219 120.409 120.200 -0.017 0.000 2.118 371 E HA -0.242 4.124 4.350 0.028 0.000 0.195 371 E C 2.098 178.659 176.600 -0.065 0.000 0.992 371 E CA 1.354 57.731 56.400 -0.038 0.000 0.804 371 E CB -0.032 29.638 29.700 -0.049 0.000 0.741 371 E HN 0.476 nan 8.360 nan 0.000 0.458 372 E N 0.044 120.182 120.200 -0.103 0.000 2.107 372 E HA -0.126 4.241 4.350 0.028 0.000 0.191 372 E C 1.910 178.492 176.600 -0.030 0.000 0.982 372 E CA 0.819 57.112 56.400 -0.179 0.000 0.809 372 E CB 0.009 29.448 29.700 -0.434 0.000 0.756 372 E HN 0.149 nan 8.360 nan 0.000 0.459 373 M N 0.868 120.486 119.600 0.030 0.000 2.080 373 M HA -0.149 4.348 4.480 0.028 0.000 0.260 373 M C 1.357 177.678 176.300 0.035 0.000 1.068 373 M CA 1.440 56.773 55.300 0.057 0.000 1.109 373 M CB -0.977 31.655 32.600 0.055 0.000 1.342 373 M HN 0.045 nan 8.290 nan 0.000 0.405 374 D N 0.139 120.550 120.400 0.017 0.000 2.104 374 D HA -0.193 4.463 4.640 0.028 0.000 0.194 374 D C 1.996 178.306 176.300 0.018 0.000 0.994 374 D CA 1.478 55.488 54.000 0.018 0.000 0.830 374 D CB -0.280 40.524 40.800 0.007 0.000 0.959 374 D HN 0.396 nan 8.370 nan 0.000 0.452 375 E N 0.634 120.833 120.200 -0.002 0.000 2.072 375 E HA -0.092 4.274 4.350 0.028 0.000 0.191 375 E C 2.147 178.759 176.600 0.021 0.000 0.985 375 E CA 0.670 57.068 56.400 -0.004 0.000 0.801 375 E CB -0.388 29.287 29.700 -0.042 0.000 0.750 375 E HN 0.288 nan 8.360 nan 0.000 0.452 376 I N 0.524 121.115 120.570 0.035 0.000 2.208 376 I HA -0.302 3.885 4.170 0.028 0.000 0.245 376 I C 2.393 178.539 176.117 0.050 0.000 1.097 376 I CA 1.193 62.529 61.300 0.060 0.000 1.363 376 I CB -0.447 37.611 38.000 0.096 0.000 1.051 376 I HN 0.221 nan 8.210 nan 0.000 0.413 377 A N 0.655 123.506 122.820 0.051 0.000 1.902 377 A HA -0.163 4.174 4.320 0.028 0.000 0.217 377 A C 2.537 180.185 177.584 0.107 0.000 1.181 377 A CA 1.871 53.950 52.037 0.071 0.000 0.623 377 A CB -0.825 18.222 19.000 0.078 0.000 0.818 377 A HN 0.441 nan 8.150 nan 0.000 0.443 378 A N -0.137 122.730 122.820 0.077 0.000 1.930 378 A HA -0.052 4.285 4.320 0.028 0.000 0.217 378 A C 2.103 179.733 177.584 0.076 0.000 1.175 378 A CA 1.488 53.569 52.037 0.073 0.000 0.627 378 A CB -0.582 18.444 19.000 0.042 0.000 0.815 378 A HN 0.500 nan 8.150 nan 0.000 0.443 379 I N -0.375 120.232 120.570 0.062 0.000 2.202 379 I HA -0.244 3.942 4.170 0.028 0.000 0.242 379 I C 2.272 178.433 176.117 0.074 0.000 1.091 379 I CA 1.258 62.592 61.300 0.058 0.000 1.368 379 I CB -0.338 37.689 38.000 0.045 0.000 1.058 379 I HN 0.281 nan 8.210 nan 0.000 0.410 380 I N 0.797 121.411 120.570 0.074 0.000 2.208 380 I HA -0.249 3.938 4.170 0.028 0.000 0.245 380 I C 2.682 178.929 176.117 0.217 0.000 1.097 380 I CA 1.716 63.056 61.300 0.067 0.000 1.363 380 I CB -0.934 37.032 38.000 -0.057 0.000 1.051 380 I HN 0.291 nan 8.210 nan 0.000 0.413 381 G N 1.079 110.074 108.800 0.325 0.000 2.459 381 G HA2 -0.290 3.687 3.960 0.028 0.000 0.217 381 G HA3 -0.290 3.687 3.960 0.028 0.000 0.217 381 G C 1.649 176.648 174.900 0.165 0.000 1.183 381 G CA 0.883 46.191 45.100 0.345 0.000 0.776 381 G HN 0.294 nan 8.290 nan 0.000 0.552 382 L N 0.734 122.023 121.223 0.110 0.000 2.013 382 L HA -0.096 4.261 4.340 0.028 0.000 0.212 382 L C 2.875 179.787 176.870 0.071 0.000 1.073 382 L CA 1.750 56.630 54.840 0.068 0.000 0.753 382 L CB -0.577 41.513 42.059 0.051 0.000 0.890 382 L HN 0.098 nan 8.230 nan 0.000 0.432 383 V N -0.447 119.518 119.914 0.085 0.000 2.283 383 V HA -0.259 3.878 4.120 0.028 0.000 0.243 383 V C 2.460 178.607 176.094 0.088 0.000 1.039 383 V CA 1.997 64.340 62.300 0.072 0.000 1.016 383 V CB -0.490 31.368 31.823 0.059 0.000 0.650 383 V HN 0.447 nan 8.190 nan 0.000 0.449 384 L N -0.552 120.758 121.223 0.145 0.000 2.291 384 L HA -0.059 4.297 4.340 0.028 0.000 0.214 384 L C 2.144 179.091 176.870 0.129 0.000 1.120 384 L CA 1.182 56.125 54.840 0.170 0.000 0.799 384 L CB -0.453 41.787 42.059 0.302 0.000 0.925 384 L HN 0.307 nan 8.230 nan 0.000 0.446 385 K N 0.195 120.650 120.400 0.093 0.000 2.404 385 K HA 0.083 4.420 4.320 0.028 0.000 0.194 385 K C -0.067 176.546 176.600 0.023 0.000 1.023 385 K CA 0.231 56.534 56.287 0.027 0.000 1.094 385 K CB 0.198 32.685 32.500 -0.022 0.000 0.841 385 K HN 0.297 nan 8.250 nan 0.000 0.523 386 N N 0.052 118.774 118.700 0.036 0.000 2.628 386 N HA -0.029 4.727 4.740 0.028 0.000 0.299 386 N C 0.564 176.091 175.510 0.029 0.000 1.834 386 N CA -0.087 52.979 53.050 0.026 0.000 0.871 386 N CB 1.391 39.892 38.487 0.023 0.000 1.377 386 N HN -0.100 nan 8.380 nan 0.000 0.493 387 V N -2.620 117.313 119.914 0.033 0.000 2.720 387 V HA 0.056 4.193 4.120 0.028 0.000 0.256 387 V C 1.684 177.792 176.094 0.023 0.000 1.082 387 V CA 1.982 64.301 62.300 0.031 0.000 1.101 387 V CB -0.587 31.256 31.823 0.033 0.000 0.693 387 V HN 0.324 nan 8.190 nan 0.000 0.479 388 G N -0.268 108.543 108.800 0.019 0.000 3.042 388 G HA2 0.147 4.124 3.960 0.028 0.000 0.212 388 G HA3 0.147 4.124 3.960 0.028 0.000 0.212 388 G C 0.652 175.560 174.900 0.013 0.000 1.166 388 G CA 0.650 45.759 45.100 0.015 0.000 0.767 388 G HN 0.573 nan 8.290 nan 0.000 0.546 389 S N 0.421 116.130 115.700 0.015 0.000 2.461 389 S HA 0.317 4.803 4.470 0.028 0.000 0.322 389 S C 1.086 175.695 174.600 0.014 0.000 1.063 389 S CA -0.582 57.626 58.200 0.013 0.000 1.120 389 S CB 0.802 64.010 63.200 0.013 0.000 0.968 389 S HN 0.166 nan 8.310 nan 0.000 0.467 390 E N 3.389 123.597 120.200 0.012 0.000 2.153 390 E HA -0.205 4.162 4.350 0.028 0.000 0.194 390 E C 2.104 178.711 176.600 0.013 0.000 0.988 390 E CA 1.254 57.662 56.400 0.012 0.000 0.811 390 E CB -0.059 29.648 29.700 0.011 0.000 0.746 390 E HN 0.969 nan 8.360 nan 0.000 0.466 391 Q N 0.235 120.041 119.800 0.011 0.000 2.079 391 Q HA -0.018 4.338 4.340 0.028 0.000 0.200 391 Q C 2.150 178.158 176.000 0.013 0.000 0.974 391 Q CA 1.497 57.306 55.803 0.011 0.000 0.840 391 Q CB -0.359 28.384 28.738 0.009 0.000 0.898 391 Q HN 0.123 nan 8.270 nan 0.000 0.430 392 A N 1.946 124.775 122.820 0.015 0.000 1.902 392 A HA -0.106 4.231 4.320 0.028 0.000 0.217 392 A C 2.258 179.855 177.584 0.021 0.000 1.181 392 A CA 1.387 53.435 52.037 0.018 0.000 0.623 392 A CB -0.727 18.286 19.000 0.020 0.000 0.818 392 A HN 0.391 nan 8.150 nan 0.000 0.443 393 L N -1.026 120.210 121.223 0.020 0.000 2.093 393 L HA -0.154 4.202 4.340 0.028 0.000 0.208 393 L C 2.605 179.487 176.870 0.019 0.000 1.085 393 L CA 1.603 56.456 54.840 0.021 0.000 0.755 393 L CB -0.488 41.583 42.059 0.020 0.000 0.904 393 L HN 0.453 nan 8.230 nan 0.000 0.435 394 E N 0.790 121.000 120.200 0.016 0.000 2.106 394 E HA -0.250 4.116 4.350 0.028 0.000 0.192 394 E C 2.014 178.623 176.600 0.015 0.000 0.984 394 E CA 1.306 57.715 56.400 0.015 0.000 0.806 394 E CB 0.012 29.720 29.700 0.013 0.000 0.750 394 E HN 0.409 nan 8.360 nan 0.000 0.458 395 E N -0.334 119.875 120.200 0.015 0.000 2.051 395 E HA -0.227 4.140 4.350 0.028 0.000 0.192 395 E C 1.942 178.553 176.600 0.018 0.000 0.991 395 E CA 1.164 57.573 56.400 0.015 0.000 0.799 395 E CB -0.261 29.448 29.700 0.015 0.000 0.748 395 E HN 0.325 nan 8.360 nan 0.000 0.449 396 A N 1.497 124.330 122.820 0.022 0.000 1.883 396 A HA -0.234 4.103 4.320 0.028 0.000 0.217 396 A C 2.223 179.822 177.584 0.025 0.000 1.186 396 A CA 1.743 53.796 52.037 0.026 0.000 0.624 396 A CB -0.661 18.357 19.000 0.030 0.000 0.822 396 A HN 0.248 nan 8.150 nan 0.000 0.444 397 R N -0.576 119.937 120.500 0.022 0.000 2.096 397 R HA -0.214 4.143 4.340 0.028 0.000 0.240 397 R C 2.436 178.748 176.300 0.021 0.000 1.139 397 R CA 2.073 58.186 56.100 0.022 0.000 0.952 397 R CB -0.297 30.014 30.300 0.019 0.000 0.854 397 R HN 0.725 nan 8.270 nan 0.000 0.436 398 Q N -0.641 119.169 119.800 0.018 0.000 2.119 398 Q HA -0.139 4.217 4.340 0.028 0.000 0.201 398 Q C 2.182 178.190 176.000 0.014 0.000 0.972 398 Q CA 1.436 57.248 55.803 0.015 0.000 0.847 398 Q CB 0.042 28.788 28.738 0.012 0.000 0.903 398 Q HN 0.324 nan 8.270 nan 0.000 0.433 399 R N -0.275 120.234 120.500 0.015 0.000 2.115 399 R HA -0.066 4.291 4.340 0.028 0.000 0.226 399 R C 2.288 178.598 176.300 0.017 0.000 1.100 399 R CA 0.896 57.003 56.100 0.012 0.000 0.980 399 R CB -0.161 30.146 30.300 0.012 0.000 0.875 399 R HN 0.067 nan 8.270 nan 0.000 0.445 400 V N 1.085 121.016 119.914 0.028 0.000 2.261 400 V HA -0.259 3.878 4.120 0.028 0.000 0.246 400 V C 2.446 178.563 176.094 0.038 0.000 1.047 400 V CA 2.043 64.368 62.300 0.042 0.000 1.015 400 V CB -0.756 31.093 31.823 0.043 0.000 0.642 400 V HN 0.408 nan 8.190 nan 0.000 0.446 401 A N 0.053 122.890 122.820 0.028 0.000 1.917 401 A HA -0.206 4.131 4.320 0.028 0.000 0.219 401 A C 2.419 180.016 177.584 0.022 0.000 1.182 401 A CA 2.356 54.408 52.037 0.025 0.000 0.633 401 A CB -0.852 18.163 19.000 0.024 0.000 0.819 401 A HN 0.612 nan 8.150 nan 0.000 0.448 402 A N -0.568 122.259 122.820 0.013 0.000 1.933 402 A HA -0.033 4.303 4.320 0.028 0.000 0.218 402 A C 2.174 179.749 177.584 -0.014 0.000 1.175 402 A CA 1.507 53.544 52.037 -0.000 0.000 0.628 402 A CB -0.523 18.472 19.000 -0.009 0.000 0.814 402 A HN 0.486 nan 8.150 nan 0.000 0.444 403 L N -0.387 120.828 121.223 -0.013 0.000 2.109 403 L HA -0.118 4.239 4.340 0.028 0.000 0.207 403 L C 2.778 179.688 176.870 0.067 0.000 1.086 403 L CA 1.760 56.574 54.840 -0.044 0.000 0.760 403 L CB -0.429 41.619 42.059 -0.018 0.000 0.910 403 L HN 0.645 nan 8.230 nan 0.000 0.437 404 T N -5.154 109.447 114.554 0.079 0.000 3.081 404 T HA 0.117 4.484 4.350 0.028 0.000 0.250 404 T C 0.139 174.815 174.700 -0.041 0.000 1.100 404 T CA -0.288 61.814 62.100 0.003 0.000 1.038 404 T CB 0.058 68.862 68.868 -0.107 0.000 0.962 404 T HN 0.242 nan 8.240 nan 0.000 0.516 405 D N 0.000 120.420 120.400 0.034 0.000 6.856 405 D HA 0.000 4.657 4.640 0.028 0.000 0.175 405 D CA 0.000 54.046 54.000 0.077 0.000 0.868 405 D CB 0.000 40.874 40.800 0.124 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683