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 1kl1_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 FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.208 176.300 -0.154 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.655 32.600 0.091 0.000 1.302 2 K N -0.130 120.133 120.400 -0.228 0.000 2.567 2 K HA 0.250 4.587 4.320 0.029 0.000 0.199 2 K C 0.668 176.916 176.600 -0.588 0.000 1.412 2 K CA 0.451 56.456 56.287 -0.471 0.000 1.020 2 K CB 0.509 32.624 32.500 -0.641 0.000 1.487 2 K HN 0.641 nan 8.250 nan 0.000 0.531 3 Y N 0.688 120.924 120.300 -0.108 0.000 2.448 3 Y HA 0.043 4.597 4.550 0.006 0.000 0.289 3 Y C 1.868 177.699 175.900 -0.116 0.000 1.114 3 Y CA 0.176 58.217 58.100 -0.098 0.000 1.235 3 Y CB 0.017 38.439 38.460 -0.064 0.000 1.045 3 Y HN 0.051 nan 8.280 nan 0.000 0.554 4 L N 1.393 122.612 121.223 -0.006 0.000 2.046 4 L HA -0.039 4.319 4.340 0.029 0.000 0.208 4 L C -0.863 175.900 176.870 -0.178 0.000 1.077 4 L CA 1.816 56.639 54.840 -0.028 0.000 0.747 4 L CB -1.545 40.557 42.059 0.072 0.000 0.896 4 L HN -0.018 nan 8.230 nan 0.000 0.432 5 P HA -0.207 nan 4.420 nan 0.000 0.215 5 P C 1.386 178.512 177.300 -0.290 0.000 1.153 5 P CA 1.329 63.980 63.100 -0.749 0.000 0.853 5 P CB 0.041 31.069 31.700 -1.120 0.000 0.788 6 Q N 0.012 119.687 119.800 -0.209 0.000 2.163 6 Q HA -0.159 4.198 4.340 0.029 0.000 0.198 6 Q C 2.280 178.253 176.000 -0.045 0.000 0.954 6 Q CA 1.666 57.406 55.803 -0.105 0.000 0.851 6 Q CB -0.913 27.772 28.738 -0.088 0.000 0.928 6 Q HN 0.157 nan 8.270 nan 0.000 0.459 7 Q N -0.036 119.750 119.800 -0.024 0.000 2.046 7 Q HA -0.071 4.286 4.340 0.029 0.000 0.200 7 Q C -0.254 175.753 176.000 0.011 0.000 0.975 7 Q CA 1.746 57.552 55.803 0.005 0.000 0.836 7 Q CB 0.152 28.905 28.738 0.025 0.000 0.896 7 Q HN 0.164 nan 8.270 nan 0.000 0.428 8 D N -1.025 119.386 120.400 0.019 0.000 2.405 8 D HA 0.225 4.882 4.640 0.029 0.000 0.264 8 D C -2.231 174.120 176.300 0.084 0.000 1.240 8 D CA -1.927 52.101 54.000 0.046 0.000 0.893 8 D CB 1.410 42.243 40.800 0.055 0.000 1.198 8 D HN -0.000 nan 8.370 nan 0.000 0.514 9 P HA -0.159 nan 4.420 nan 0.000 0.216 9 P C 1.412 178.789 177.300 0.127 0.000 1.153 9 P CA 1.268 64.435 63.100 0.112 0.000 0.858 9 P CB 0.539 32.278 31.700 0.065 0.000 0.789 10 Q N -0.786 119.061 119.800 0.079 0.000 2.020 10 Q HA -0.107 4.250 4.340 0.029 0.000 0.202 10 Q C 2.148 178.185 176.000 0.062 0.000 0.982 10 Q CA 1.399 57.236 55.803 0.058 0.000 0.838 10 Q CB -0.853 27.907 28.738 0.037 0.000 0.899 10 Q HN 0.106 nan 8.270 nan 0.000 0.423 11 V N 0.524 120.483 119.914 0.076 0.000 2.358 11 V HA -0.230 3.907 4.120 0.029 0.000 0.246 11 V C 1.934 178.088 176.094 0.101 0.000 1.047 11 V CA 1.639 63.981 62.300 0.071 0.000 1.035 11 V CB -0.580 31.285 31.823 0.070 0.000 0.658 11 V HN 0.304 nan 8.190 nan 0.000 0.452 12 F N 1.573 121.523 119.950 0.000 0.000 2.134 12 F HA -0.128 4.405 4.527 0.010 0.000 0.299 12 F C 2.261 178.059 175.800 -0.003 0.000 1.097 12 F CA 1.270 59.268 58.000 -0.002 0.000 1.264 12 F CB -0.555 38.442 39.000 -0.005 0.000 1.001 12 F HN 0.077 nan 8.300 nan 0.000 0.479 13 A N 0.309 123.119 122.820 -0.017 0.000 1.902 13 A HA -0.049 4.289 4.320 0.029 0.000 0.217 13 A C 2.426 179.918 177.584 -0.153 0.000 1.181 13 A CA 1.778 53.742 52.037 -0.122 0.000 0.623 13 A CB -1.532 17.467 19.000 -0.003 0.000 0.818 13 A HN 0.481 nan 8.150 nan 0.000 0.443 14 A N -0.118 122.649 122.820 -0.087 0.000 1.898 14 A HA -0.049 4.288 4.320 0.029 0.000 0.216 14 A C 2.116 179.638 177.584 -0.104 0.000 1.181 14 A CA 1.448 53.442 52.037 -0.071 0.000 0.620 14 A CB -0.571 18.410 19.000 -0.031 0.000 0.819 14 A HN 0.491 nan 8.150 nan 0.000 0.442 15 I N -0.404 120.084 120.570 -0.136 0.000 2.226 15 I HA -0.212 3.976 4.170 0.029 0.000 0.245 15 I C 2.439 178.427 176.117 -0.215 0.000 1.100 15 I CA 1.227 62.441 61.300 -0.143 0.000 1.374 15 I CB -0.319 37.614 38.000 -0.110 0.000 1.057 15 I HN 0.305 nan 8.210 nan 0.000 0.413 16 E N 0.579 120.547 120.200 -0.387 0.000 2.106 16 E HA -0.233 4.134 4.350 0.029 0.000 0.192 16 E C 2.149 178.632 176.600 -0.195 0.000 0.984 16 E CA 1.123 57.300 56.400 -0.371 0.000 0.806 16 E CB -0.207 29.143 29.700 -0.584 0.000 0.750 16 E HN 0.595 nan 8.360 nan 0.000 0.458 17 Q N 0.324 120.031 119.800 -0.155 0.000 2.050 17 Q HA -0.210 4.148 4.340 0.029 0.000 0.202 17 Q C 2.144 178.110 176.000 -0.056 0.000 0.980 17 Q CA 1.609 57.361 55.803 -0.084 0.000 0.840 17 Q CB -0.101 28.599 28.738 -0.063 0.000 0.898 17 Q HN 0.087 nan 8.270 nan 0.000 0.424 18 E N 1.074 121.239 120.200 -0.058 0.000 2.077 18 E HA -0.207 4.160 4.350 0.029 0.000 0.193 18 E C 1.818 178.408 176.600 -0.017 0.000 0.989 18 E CA 1.393 57.777 56.400 -0.027 0.000 0.800 18 E CB -0.078 29.609 29.700 -0.023 0.000 0.746 18 E HN 0.175 nan 8.360 nan 0.000 0.452 19 R N 0.208 120.680 120.500 -0.047 0.000 2.073 19 R HA -0.124 4.233 4.340 0.029 0.000 0.234 19 R C 2.135 178.420 176.300 -0.026 0.000 1.134 19 R CA 1.893 57.969 56.100 -0.041 0.000 0.952 19 R CB -0.072 30.184 30.300 -0.073 0.000 0.850 19 R HN 0.071 nan 8.270 nan 0.000 0.433 20 K N -0.209 120.171 120.400 -0.034 0.000 2.148 20 K HA -0.141 4.196 4.320 0.029 0.000 0.204 20 K C 2.252 178.881 176.600 0.048 0.000 1.050 20 K CA 1.205 57.492 56.287 0.001 0.000 0.942 20 K CB -0.164 32.323 32.500 -0.022 0.000 0.724 20 K HN 0.144 nan 8.250 nan 0.000 0.446 21 R N 1.573 122.089 120.500 0.027 0.000 2.073 21 R HA -0.168 4.189 4.340 0.029 0.000 0.234 21 R C 2.053 178.386 176.300 0.055 0.000 1.134 21 R CA 1.635 57.757 56.100 0.037 0.000 0.952 21 R CB -0.041 30.274 30.300 0.025 0.000 0.850 21 R HN 0.274 nan 8.270 nan 0.000 0.433 22 Q N -1.167 118.671 119.800 0.063 0.000 2.181 22 Q HA -0.246 4.111 4.340 0.029 0.000 0.205 22 Q C 1.899 177.908 176.000 0.016 0.000 0.980 22 Q CA 1.996 57.856 55.803 0.094 0.000 0.862 22 Q CB -0.188 28.618 28.738 0.112 0.000 0.905 22 Q HN 0.563 nan 8.270 nan 0.000 0.429 23 H N -0.440 118.576 119.070 -0.089 0.000 2.415 23 H HA 0.115 4.688 4.556 0.028 0.000 0.297 23 H C 1.748 177.058 175.328 -0.031 0.000 1.048 23 H CA 1.319 57.304 56.048 -0.105 0.000 1.365 23 H CB 0.100 29.804 29.762 -0.098 0.000 1.421 23 H HN 0.196 nan 8.280 nan 0.000 0.533 24 A N 0.808 123.615 122.820 -0.022 0.000 2.067 24 A HA 0.081 4.419 4.320 0.029 0.000 0.217 24 A C 0.865 178.424 177.584 -0.042 0.000 1.156 24 A CA 0.336 52.347 52.037 -0.043 0.000 0.683 24 A CB 0.038 19.069 19.000 0.052 0.000 0.808 24 A HN 0.155 nan 8.150 nan 0.000 0.455 25 K N -0.372 120.020 120.400 -0.013 0.000 2.106 25 K HA 0.541 4.879 4.320 0.029 0.000 0.246 25 K C -0.791 175.818 176.600 0.016 0.000 0.987 25 K CA -0.459 55.837 56.287 0.014 0.000 0.904 25 K CB 1.131 33.651 32.500 0.034 0.000 1.071 25 K HN 0.183 nan 8.250 nan 0.000 0.453 26 I N 2.089 122.681 120.570 0.036 0.000 2.287 26 I HA 0.038 4.225 4.170 0.029 0.000 0.290 26 I C 0.232 176.366 176.117 0.029 0.000 1.069 26 I CA -0.625 60.701 61.300 0.043 0.000 1.237 26 I CB 0.787 38.849 38.000 0.105 0.000 1.418 26 I HN 0.433 nan 8.210 nan 0.000 0.481 27 E N 7.368 127.582 120.200 0.022 0.000 2.105 27 E HA 0.222 4.589 4.350 0.029 0.000 0.285 27 E C -0.261 176.325 176.600 -0.024 0.000 1.055 27 E CA 0.133 56.538 56.400 0.008 0.000 0.843 27 E CB 0.584 30.294 29.700 0.018 0.000 1.067 27 E HN 0.568 nan 8.360 nan 0.000 0.398 28 L N 5.436 126.652 121.223 -0.012 0.000 3.066 28 L HA 0.364 4.721 4.340 0.029 0.000 0.265 28 L C 0.119 176.984 176.870 -0.009 0.000 1.232 28 L CA -0.390 54.443 54.840 -0.012 0.000 1.031 28 L CB 0.095 42.150 42.059 -0.007 0.000 1.379 28 L HN 0.543 nan 8.230 nan 0.000 0.563 29 I N 0.986 121.549 120.570 -0.012 0.000 2.517 29 I HA -0.009 4.178 4.170 0.029 0.000 0.285 29 I C 1.638 177.776 176.117 0.035 0.000 1.106 29 I CA -0.001 61.304 61.300 0.008 0.000 1.402 29 I CB 1.585 39.587 38.000 0.004 0.000 1.399 29 I HN 0.214 nan 8.210 nan 0.000 0.535 30 A N 4.603 127.472 122.820 0.082 0.000 2.024 30 A HA -0.171 4.167 4.320 0.029 0.000 0.220 30 A C 2.122 179.853 177.584 0.244 0.000 1.164 30 A CA 1.993 54.133 52.037 0.171 0.000 0.643 30 A CB -0.450 18.638 19.000 0.147 0.000 0.806 30 A HN 0.797 nan 8.150 nan 0.000 0.451 31 S N -0.796 115.005 115.700 0.168 0.000 2.593 31 S HA 0.190 4.677 4.470 0.029 0.000 0.217 31 S C 0.354 174.935 174.600 -0.033 0.000 0.966 31 S CA -0.252 57.932 58.200 -0.027 0.000 0.914 31 S CB -0.009 63.184 63.200 -0.012 0.000 0.776 31 S HN 0.634 nan 8.310 nan 0.000 0.523 32 E N 0.897 121.078 120.200 -0.033 0.000 2.243 32 E HA 0.570 4.938 4.350 0.029 0.000 0.260 32 E C -0.592 175.904 176.600 -0.173 0.000 0.985 32 E CA -0.897 55.444 56.400 -0.098 0.000 0.858 32 E CB 0.808 30.424 29.700 -0.141 0.000 1.210 32 E HN 0.148 nan 8.360 nan 0.000 0.411 33 N N -0.330 118.202 118.700 -0.280 0.000 3.179 33 N HA 0.320 5.078 4.740 0.029 0.000 0.250 33 N C -1.976 173.232 175.510 -0.502 0.000 1.507 33 N CA -0.532 52.308 53.050 -0.351 0.000 0.883 33 N CB 0.910 39.351 38.487 -0.076 0.000 1.435 33 N HN 0.210 nan 8.380 nan 0.000 0.532 34 F N 1.053 121.010 119.950 0.012 0.000 2.449 34 F HA 0.397 4.937 4.527 0.022 0.000 0.342 34 F C 0.712 176.504 175.800 -0.013 0.000 1.127 34 F CA -0.824 57.172 58.000 -0.006 0.000 0.975 34 F CB 1.211 40.199 39.000 -0.019 0.000 1.146 34 F HN 0.158 nan 8.300 nan 0.000 0.444 35 V N 0.281 120.291 119.914 0.160 0.000 3.083 35 V HA 0.666 4.803 4.120 0.029 0.000 0.306 35 V C 0.404 176.538 176.094 0.067 0.000 1.077 35 V CA -0.873 61.475 62.300 0.082 0.000 1.073 35 V CB 1.054 32.907 31.823 0.049 0.000 1.081 35 V HN 0.826 nan 8.190 nan 0.000 0.474 36 S N 2.420 118.140 115.700 0.032 0.000 2.608 36 S HA 0.334 4.821 4.470 0.029 0.000 0.261 36 S C 0.900 175.507 174.600 0.013 0.000 1.314 36 S CA -0.202 58.008 58.200 0.018 0.000 0.992 36 S CB 0.647 63.850 63.200 0.006 0.000 0.935 36 S HN 0.743 nan 8.310 nan 0.000 0.564 37 R N 0.496 120.999 120.500 0.006 0.000 2.115 37 R HA -0.024 4.333 4.340 0.029 0.000 0.230 37 R C 2.561 178.862 176.300 0.001 0.000 1.111 37 R CA 1.204 57.306 56.100 0.004 0.000 0.976 37 R CB -0.917 29.383 30.300 0.001 0.000 0.870 37 R HN 0.811 nan 8.270 nan 0.000 0.445 38 A N 0.678 123.496 122.820 -0.003 0.000 1.902 38 A HA -0.110 4.228 4.320 0.029 0.000 0.217 38 A C 2.317 179.891 177.584 -0.016 0.000 1.181 38 A CA 1.275 53.306 52.037 -0.009 0.000 0.623 38 A CB -0.479 18.514 19.000 -0.012 0.000 0.818 38 A HN 0.108 nan 8.150 nan 0.000 0.443 39 V N -0.110 119.793 119.914 -0.018 0.000 2.295 39 V HA -0.318 3.819 4.120 0.029 0.000 0.246 39 V C 2.649 178.732 176.094 -0.018 0.000 1.049 39 V CA 2.280 64.562 62.300 -0.030 0.000 1.024 39 V CB -0.651 31.154 31.823 -0.030 0.000 0.648 39 V HN 0.581 nan 8.190 nan 0.000 0.447 40 M N -0.802 118.796 119.600 -0.003 0.000 2.117 40 M HA -0.214 4.283 4.480 0.029 0.000 0.262 40 M C 2.208 178.514 176.300 0.010 0.000 1.065 40 M CA 1.849 57.154 55.300 0.007 0.000 1.114 40 M CB -0.495 32.114 32.600 0.015 0.000 1.361 40 M HN 0.376 nan 8.290 nan 0.000 0.408 41 E N 0.286 120.489 120.200 0.005 0.000 2.077 41 E HA -0.177 4.190 4.350 0.029 0.000 0.193 41 E C 2.068 178.671 176.600 0.005 0.000 0.989 41 E CA 1.271 57.675 56.400 0.006 0.000 0.800 41 E CB -0.130 29.571 29.700 0.002 0.000 0.746 41 E HN 0.512 nan 8.360 nan 0.000 0.452 42 A N 1.327 124.145 122.820 -0.004 0.000 1.902 42 A HA -0.239 4.099 4.320 0.029 0.000 0.217 42 A C 2.009 179.607 177.584 0.023 0.000 1.181 42 A CA 1.355 53.389 52.037 -0.004 0.000 0.623 42 A CB -0.395 18.587 19.000 -0.030 0.000 0.818 42 A HN 0.213 nan 8.150 nan 0.000 0.443 43 Q N -0.819 118.996 119.800 0.026 0.000 2.297 43 Q HA -0.013 4.344 4.340 0.029 0.000 0.204 43 Q C 1.561 177.629 176.000 0.114 0.000 0.962 43 Q CA 0.805 56.658 55.803 0.083 0.000 0.879 43 Q CB -0.231 28.534 28.738 0.046 0.000 0.947 43 Q HN 0.611 nan 8.270 nan 0.000 0.462 44 G N 1.439 110.268 108.800 0.049 0.000 3.383 44 G HA2 0.057 4.034 3.960 0.029 0.000 0.251 44 G HA3 0.057 4.034 3.960 0.029 0.000 0.251 44 G C 0.332 175.230 174.900 -0.004 0.000 1.203 44 G CA -0.042 45.072 45.100 0.023 0.000 0.852 44 G HN 0.271 nan 8.290 nan 0.000 0.531 45 S N -0.846 114.854 115.700 -0.000 0.000 2.707 45 S HA 0.292 4.780 4.470 0.029 0.000 0.276 45 S C 1.561 176.120 174.600 -0.068 0.000 1.179 45 S CA 0.069 58.255 58.200 -0.023 0.000 0.992 45 S CB 1.419 64.617 63.200 -0.003 0.000 1.030 45 S HN 0.536 nan 8.310 nan 0.000 0.554 46 V N -0.958 118.917 119.914 -0.065 0.000 3.444 46 V HA 0.075 4.212 4.120 0.029 0.000 0.271 46 V C 1.601 177.642 176.094 -0.088 0.000 1.188 46 V CA 0.781 63.030 62.300 -0.085 0.000 1.168 46 V CB -1.391 30.393 31.823 -0.065 0.000 0.810 46 V HN 0.663 nan 8.190 nan 0.000 0.500 47 L N 0.976 122.165 121.223 -0.057 0.000 2.353 47 L HA -0.060 4.297 4.340 0.029 0.000 0.220 47 L C 2.707 179.525 176.870 -0.087 0.000 1.133 47 L CA 2.219 57.042 54.840 -0.028 0.000 0.798 47 L CB -1.356 40.730 42.059 0.045 0.000 0.922 47 L HN 0.527 nan 8.230 nan 0.000 0.445 48 T N -1.175 113.192 114.554 -0.312 0.000 2.962 48 T HA -0.143 4.224 4.350 0.029 0.000 0.270 48 T C 1.568 176.095 174.700 -0.288 0.000 1.088 48 T CA 1.515 63.281 62.100 -0.557 0.000 1.127 48 T CB -0.369 67.939 68.868 -0.933 0.000 0.883 48 T HN 0.516 nan 8.240 nan 0.000 0.493 49 N N -0.009 118.572 118.700 -0.199 0.000 2.550 49 N HA 0.027 4.784 4.740 0.029 0.000 0.186 49 N C 0.335 175.767 175.510 -0.129 0.000 1.110 49 N CA 0.194 53.157 53.050 -0.144 0.000 0.912 49 N CB 0.156 38.583 38.487 -0.100 0.000 0.968 49 N HN 0.129 nan 8.380 nan 0.000 0.448 50 K N 0.715 121.031 120.400 -0.140 0.000 2.213 50 K HA 0.165 4.503 4.320 0.029 0.000 0.270 50 K C -1.434 175.021 176.600 -0.241 0.000 1.002 50 K CA -0.488 55.718 56.287 -0.135 0.000 0.868 50 K CB 0.298 32.751 32.500 -0.078 0.000 1.093 50 K HN -0.075 nan 8.250 nan 0.000 0.454 51 Y N 2.305 122.407 120.300 -0.330 0.000 2.359 51 Y HA 0.368 4.940 4.550 0.036 0.000 0.334 51 Y C 0.366 175.935 175.900 -0.552 0.000 1.058 51 Y CA 0.356 58.115 58.100 -0.568 0.000 1.244 51 Y CB 1.414 39.227 38.460 -1.078 0.000 1.187 51 Y HN 0.705 nan 8.280 nan 0.000 0.510 52 A N 4.315 127.037 122.820 -0.163 0.000 3.234 52 A HA 0.280 4.617 4.320 0.029 0.000 0.247 52 A C -0.271 177.288 177.584 -0.042 0.000 0.938 52 A CA -0.624 51.389 52.037 -0.039 0.000 1.039 52 A CB -0.311 18.643 19.000 -0.076 0.000 1.197 52 A HN 0.782 nan 8.150 nan 0.000 0.498 53 E N 0.230 120.477 120.200 0.080 0.000 2.415 53 E HA 0.409 4.777 4.350 0.029 0.000 0.262 53 E C 0.979 177.452 176.600 -0.211 0.000 1.038 53 E CA 1.255 57.439 56.400 -0.361 0.000 0.921 53 E CB 0.590 30.021 29.700 -0.448 0.000 0.950 53 E HN 1.183 nan 8.360 nan 0.000 0.438 54 G N 0.733 109.259 108.800 -0.456 0.000 2.582 54 G HA2 -0.226 3.752 3.960 0.029 0.000 0.222 54 G HA3 -0.226 3.752 3.960 0.029 0.000 0.222 54 G C -1.423 173.164 174.900 -0.520 0.000 1.311 54 G CA -0.720 44.334 45.100 -0.077 0.000 0.915 54 G HN 0.417 nan 8.290 nan 0.000 0.528 55 Y N -0.239 120.096 120.300 0.057 0.000 2.633 55 Y HA 0.610 5.178 4.550 0.030 0.000 0.339 55 Y C -1.929 173.979 175.900 0.013 0.000 1.045 55 Y CA -1.901 56.230 58.100 0.052 0.000 1.098 55 Y CB 1.867 40.386 38.460 0.098 0.000 1.296 55 Y HN 0.430 nan 8.280 nan 0.000 0.494 56 P HA 0.041 nan 4.420 nan 0.000 0.261 56 P C 0.564 177.904 177.300 0.068 0.000 1.183 56 P CA 2.013 65.166 63.100 0.087 0.000 0.761 56 P CB 0.178 31.932 31.700 0.091 0.000 0.785 57 G N 3.153 111.964 108.800 0.018 0.000 2.184 57 G HA2 -0.267 3.711 3.960 0.029 0.000 0.264 57 G HA3 -0.267 3.711 3.960 0.029 0.000 0.264 57 G C 0.492 175.381 174.900 -0.018 0.000 0.975 57 G CA -0.247 44.852 45.100 -0.001 0.000 0.642 57 G HN 0.561 nan 8.290 nan 0.000 0.536 58 R N -0.031 120.453 120.500 -0.026 0.000 2.647 58 R HA 0.234 4.592 4.340 0.029 0.000 0.295 58 R C 0.401 176.553 176.300 -0.246 0.000 1.267 58 R CA -0.457 55.589 56.100 -0.091 0.000 1.386 58 R CB 0.356 30.663 30.300 0.012 0.000 1.309 58 R HN 0.282 nan 8.270 nan 0.000 0.692 59 R N -0.034 120.318 120.500 -0.246 0.000 2.549 59 R HA 0.294 4.651 4.340 0.029 0.000 0.267 59 R C 0.346 176.362 176.300 -0.473 0.000 1.045 59 R CA -0.376 55.561 56.100 -0.272 0.000 1.115 59 R CB 0.545 30.808 30.300 -0.062 0.000 1.121 59 R HN 0.139 nan 8.270 nan 0.000 0.543 60 Y N -0.467 119.829 120.300 -0.007 0.000 2.607 60 Y HA 0.265 4.831 4.550 0.028 0.000 0.266 60 Y C -0.479 175.166 175.900 -0.425 0.000 1.178 60 Y CA -0.127 57.865 58.100 -0.179 0.000 1.226 60 Y CB 0.270 38.607 38.460 -0.204 0.000 1.144 60 Y HN 0.381 nan 8.280 nan 0.000 0.528 61 Y N -0.873 119.448 120.300 0.035 0.000 2.470 61 Y HA 0.592 5.162 4.550 0.034 0.000 0.341 61 Y C 0.699 176.593 175.900 -0.011 0.000 1.021 61 Y CA -1.825 56.289 58.100 0.024 0.000 1.025 61 Y CB 1.363 39.848 38.460 0.042 0.000 1.266 61 Y HN -0.010 nan 8.280 nan 0.000 0.448 62 G N 0.123 109.001 108.800 0.130 0.000 2.616 62 G HA2 0.411 4.388 3.960 0.029 0.000 0.268 62 G HA3 0.411 4.388 3.960 0.029 0.000 0.268 62 G C 0.806 175.740 174.900 0.057 0.000 1.213 62 G CA -0.103 45.030 45.100 0.056 0.000 0.926 62 G HN 1.470 nan 8.290 nan 0.000 0.523 63 G N -2.326 106.476 108.800 0.002 0.000 2.143 63 G HA2 -0.278 3.699 3.960 0.029 0.000 0.248 63 G HA3 -0.278 3.699 3.960 0.029 0.000 0.248 63 G C 0.805 175.679 174.900 -0.043 0.000 0.991 63 G CA 0.516 45.604 45.100 -0.020 0.000 0.689 63 G HN 0.934 nan 8.290 nan 0.000 0.522 64 C N 0.216 119.484 119.300 -0.053 0.000 2.693 64 C HA 0.351 4.829 4.460 0.029 0.000 0.286 64 C C 2.224 177.140 174.990 -0.123 0.000 1.277 64 C CA 0.363 59.348 59.018 -0.055 0.000 1.705 64 C CB -0.573 27.156 27.740 -0.018 0.000 1.879 64 C HN 0.660 nan 8.230 nan 0.000 0.607 65 E N 0.716 120.758 120.200 -0.262 0.000 2.097 65 E HA -0.214 4.153 4.350 0.029 0.000 0.196 65 E C 1.135 177.514 176.600 -0.368 0.000 1.000 65 E CA 1.847 58.009 56.400 -0.398 0.000 0.804 65 E CB -0.201 29.106 29.700 -0.654 0.000 0.740 65 E HN 0.802 nan 8.360 nan 0.000 0.454 66 Y N -0.812 119.489 120.300 0.002 0.000 2.397 66 Y HA -0.025 4.542 4.550 0.029 0.000 0.292 66 Y C 2.262 178.161 175.900 -0.003 0.000 1.115 66 Y CA 0.331 58.430 58.100 -0.001 0.000 1.208 66 Y CB -0.011 38.447 38.460 -0.004 0.000 1.046 66 Y HN 0.019 nan 8.280 nan 0.000 0.552 67 V N -2.301 117.673 119.914 0.099 0.000 2.809 67 V HA -0.152 3.986 4.120 0.029 0.000 0.256 67 V C 1.304 177.417 176.094 0.032 0.000 1.080 67 V CA 1.787 64.118 62.300 0.053 0.000 1.102 67 V CB -0.363 31.472 31.823 0.020 0.000 0.705 67 V HN 0.163 nan 8.190 nan 0.000 0.475 68 D N 1.069 121.478 120.400 0.016 0.000 2.117 68 D HA -0.050 4.607 4.640 0.029 0.000 0.198 68 D C 2.046 178.369 176.300 0.038 0.000 0.982 68 D CA 1.841 55.851 54.000 0.017 0.000 0.828 68 D CB -0.218 40.579 40.800 -0.005 0.000 0.967 68 D HN 0.533 nan 8.370 nan 0.000 0.464 69 I N 0.214 120.816 120.570 0.053 0.000 2.179 69 I HA -0.234 3.954 4.170 0.029 0.000 0.242 69 I C 2.390 178.540 176.117 0.055 0.000 1.088 69 I CA 0.601 61.940 61.300 0.065 0.000 1.357 69 I CB -0.198 37.861 38.000 0.099 0.000 1.051 69 I HN -0.106 nan 8.210 nan 0.000 0.409 70 V N 0.716 120.662 119.914 0.053 0.000 2.287 70 V HA -0.327 3.811 4.120 0.029 0.000 0.248 70 V C 2.498 178.609 176.094 0.028 0.000 1.053 70 V CA 2.305 64.624 62.300 0.032 0.000 1.027 70 V CB -0.659 31.178 31.823 0.024 0.000 0.646 70 V HN 0.499 nan 8.190 nan 0.000 0.447 71 E N -0.329 119.892 120.200 0.035 0.000 2.110 71 E HA -0.223 4.144 4.350 0.029 0.000 0.193 71 E C 2.234 178.874 176.600 0.067 0.000 0.988 71 E CA 1.150 57.578 56.400 0.047 0.000 0.804 71 E CB -0.003 29.728 29.700 0.053 0.000 0.745 71 E HN 0.561 nan 8.360 nan 0.000 0.458 72 E N 0.397 120.635 120.200 0.063 0.000 2.107 72 E HA -0.143 4.224 4.350 0.029 0.000 0.191 72 E C 2.296 178.934 176.600 0.065 0.000 0.982 72 E CA 0.577 57.016 56.400 0.065 0.000 0.809 72 E CB -0.086 29.648 29.700 0.056 0.000 0.756 72 E HN 0.391 nan 8.360 nan 0.000 0.459 73 L N 0.581 121.839 121.223 0.059 0.000 2.012 73 L HA -0.204 4.154 4.340 0.029 0.000 0.210 73 L C 2.607 179.537 176.870 0.099 0.000 1.073 73 L CA 1.323 56.200 54.840 0.061 0.000 0.748 73 L CB -0.562 41.521 42.059 0.041 0.000 0.891 73 L HN 0.068 nan 8.230 nan 0.000 0.431 74 A N 0.062 122.943 122.820 0.101 0.000 1.877 74 A HA -0.217 4.121 4.320 0.029 0.000 0.216 74 A C 2.390 180.141 177.584 0.279 0.000 1.186 74 A CA 1.638 53.795 52.037 0.200 0.000 0.620 74 A CB -0.511 18.547 19.000 0.097 0.000 0.822 74 A HN 0.324 nan 8.150 nan 0.000 0.443 75 R N -0.676 119.914 120.500 0.150 0.000 2.081 75 R HA -0.097 4.260 4.340 0.029 0.000 0.235 75 R C 2.056 178.392 176.300 0.061 0.000 1.131 75 R CA 1.345 57.497 56.100 0.086 0.000 0.960 75 R CB -0.294 30.026 30.300 0.034 0.000 0.856 75 R HN 0.489 nan 8.270 nan 0.000 0.436 76 E N 0.585 120.825 120.200 0.066 0.000 2.107 76 E HA -0.124 4.243 4.350 0.029 0.000 0.191 76 E C 2.025 178.648 176.600 0.038 0.000 0.982 76 E CA 0.996 57.422 56.400 0.043 0.000 0.809 76 E CB -0.052 29.673 29.700 0.041 0.000 0.756 76 E HN 0.308 nan 8.360 nan 0.000 0.459 77 R N 0.579 121.127 120.500 0.080 0.000 2.092 77 R HA -0.008 4.349 4.340 0.029 0.000 0.231 77 R C 2.342 178.618 176.300 -0.041 0.000 1.119 77 R CA 1.090 57.229 56.100 0.065 0.000 0.970 77 R CB -0.283 30.121 30.300 0.174 0.000 0.864 77 R HN 0.085 nan 8.270 nan 0.000 0.440 78 A N 1.568 124.349 122.820 -0.065 0.000 1.902 78 A HA -0.211 4.126 4.320 0.029 0.000 0.217 78 A C 1.901 179.452 177.584 -0.056 0.000 1.181 78 A CA 1.505 53.391 52.037 -0.253 0.000 0.623 78 A CB -0.249 18.604 19.000 -0.246 0.000 0.818 78 A HN 0.173 nan 8.150 nan 0.000 0.443 79 K N -0.724 119.662 120.400 -0.024 0.000 2.097 79 K HA -0.171 4.166 4.320 0.029 0.000 0.206 79 K C 2.349 178.935 176.600 -0.023 0.000 1.049 79 K CA 1.564 57.851 56.287 0.000 0.000 0.933 79 K CB -0.142 32.360 32.500 0.003 0.000 0.717 79 K HN 0.681 nan 8.250 nan 0.000 0.442 80 Q N 0.405 120.174 119.800 -0.052 0.000 2.119 80 Q HA -0.149 4.209 4.340 0.029 0.000 0.201 80 Q C 1.919 177.832 176.000 -0.146 0.000 0.972 80 Q CA 0.965 56.725 55.803 -0.072 0.000 0.847 80 Q CB 0.082 28.786 28.738 -0.056 0.000 0.903 80 Q HN 0.138 nan 8.270 nan 0.000 0.433 81 L N -0.594 120.473 121.223 -0.261 0.000 2.027 81 L HA -0.081 4.276 4.340 0.029 0.000 0.206 81 L C 1.371 177.853 176.870 -0.647 0.000 1.074 81 L CA 1.819 56.330 54.840 -0.549 0.000 0.745 81 L CB -0.351 41.203 42.059 -0.843 0.000 0.898 81 L HN 0.276 nan 8.230 nan 0.000 0.433 82 F N -1.278 118.604 119.950 -0.114 0.000 2.724 82 F HA 0.396 4.939 4.527 0.027 0.000 0.306 82 F C 1.721 177.485 175.800 -0.060 0.000 1.100 82 F CA 0.337 58.286 58.000 -0.085 0.000 1.255 82 F CB -0.295 38.633 39.000 -0.120 0.000 1.072 82 F HN 0.104 nan 8.300 nan 0.000 0.589 83 G N 1.194 110.037 108.800 0.071 0.000 2.176 83 G HA2 -0.118 3.860 3.960 0.029 0.000 0.252 83 G HA3 -0.118 3.860 3.960 0.029 0.000 0.252 83 G C 0.310 175.233 174.900 0.039 0.000 1.024 83 G CA 0.027 45.148 45.100 0.036 0.000 0.755 83 G HN 0.643 nan 8.290 nan 0.000 0.507 84 A N -0.723 122.130 122.820 0.055 0.000 2.304 84 A HA 0.742 5.080 4.320 0.029 0.000 0.271 84 A C 1.107 178.712 177.584 0.035 0.000 1.091 84 A CA 0.616 52.673 52.037 0.034 0.000 0.812 84 A CB 0.506 19.520 19.000 0.023 0.000 1.056 84 A HN 0.402 nan 8.150 nan 0.000 0.489 85 E N -0.527 119.700 120.200 0.044 0.000 2.208 85 E HA -0.054 4.313 4.350 0.029 0.000 0.193 85 E C 0.261 176.939 176.600 0.129 0.000 0.988 85 E CA 0.832 57.267 56.400 0.060 0.000 0.828 85 E CB 0.083 29.806 29.700 0.038 0.000 0.763 85 E HN 0.677 nan 8.360 nan 0.000 0.478 86 H N -1.358 117.719 119.070 0.012 0.000 2.996 86 H HA 0.590 5.164 4.556 0.030 0.000 0.368 86 H C -1.822 173.521 175.328 0.025 0.000 1.185 86 H CA -0.612 55.447 56.048 0.018 0.000 1.160 86 H CB 2.043 31.817 29.762 0.021 0.000 1.820 86 H HN 0.021 nan 8.280 nan 0.000 0.547 87 A N 3.218 125.683 122.820 -0.592 0.000 2.435 87 A HA 0.386 4.723 4.320 0.029 0.000 0.304 87 A C -1.141 176.142 177.584 -0.501 0.000 1.064 87 A CA -0.865 50.947 52.037 -0.375 0.000 0.727 87 A CB 1.540 20.444 19.000 -0.160 0.000 1.284 87 A HN 0.785 nan 8.150 nan 0.000 0.415 88 N N 0.875 119.470 118.700 -0.174 0.000 2.491 88 N HA 0.421 5.178 4.740 0.029 0.000 0.274 88 N C 0.010 175.554 175.510 0.058 0.000 1.023 88 N CA -0.493 52.553 53.050 -0.006 0.000 0.902 88 N CB 1.628 40.175 38.487 0.100 0.000 1.267 88 N HN 0.587 nan 8.380 nan 0.000 0.503 89 V N 0.881 120.854 119.914 0.098 0.000 3.444 89 V HA 0.182 4.320 4.120 0.029 0.000 0.308 89 V C 1.090 177.227 176.094 0.071 0.000 1.371 89 V CA 0.331 62.697 62.300 0.110 0.000 1.141 89 V CB 0.010 31.922 31.823 0.148 0.000 1.037 89 V HN 0.679 nan 8.190 nan 0.000 0.433 90 Q N 0.591 120.434 119.800 0.072 0.000 2.398 90 Q HA 0.176 4.533 4.340 0.029 0.000 0.204 90 Q C -1.595 174.355 176.000 -0.084 0.000 0.932 90 Q CA -0.510 55.291 55.803 -0.003 0.000 0.916 90 Q CB -0.785 27.953 28.738 0.001 0.000 1.024 90 Q HN 0.552 nan 8.270 nan 0.000 0.504 91 P HA -0.121 nan 4.420 nan 0.000 0.262 91 P C -0.084 177.191 177.300 -0.041 0.000 1.182 91 P CA 0.649 63.697 63.100 -0.087 0.000 0.761 91 P CB 0.422 32.108 31.700 -0.022 0.000 0.795 92 H N 0.497 119.564 119.070 -0.005 0.000 2.495 92 H HA 0.027 4.601 4.556 0.029 0.000 0.287 92 H C 1.041 176.367 175.328 -0.004 0.000 1.033 92 H CA 1.112 57.148 56.048 -0.021 0.000 1.307 92 H CB 0.138 29.882 29.762 -0.029 0.000 1.401 92 H HN 0.503 nan 8.280 nan 0.000 0.555 93 S N -2.792 112.985 115.700 0.128 0.000 2.661 93 S HA 0.404 4.891 4.470 0.029 0.000 0.268 93 S C 1.314 175.966 174.600 0.087 0.000 1.162 93 S CA -0.380 57.893 58.200 0.121 0.000 0.817 93 S CB 1.084 64.348 63.200 0.108 0.000 1.141 93 S HN 0.092 nan 8.310 nan 0.000 0.477 94 G N 0.586 109.442 108.800 0.093 0.000 2.422 94 G HA2 0.142 4.119 3.960 0.029 0.000 0.218 94 G HA3 0.142 4.119 3.960 0.029 0.000 0.218 94 G C 1.492 176.422 174.900 0.050 0.000 1.146 94 G CA 1.076 46.188 45.100 0.020 0.000 0.769 94 G HN 1.313 nan 8.290 nan 0.000 0.547 95 A N 0.200 123.082 122.820 0.103 0.000 1.902 95 A HA -0.079 4.258 4.320 0.029 0.000 0.217 95 A C 2.373 180.009 177.584 0.085 0.000 1.181 95 A CA 2.129 54.267 52.037 0.168 0.000 0.623 95 A CB -0.366 18.753 19.000 0.197 0.000 0.818 95 A HN 0.334 nan 8.150 nan 0.000 0.443 96 Q N -0.474 119.340 119.800 0.024 0.000 2.172 96 Q HA 0.124 4.482 4.340 0.029 0.000 0.200 96 Q C 2.249 178.218 176.000 -0.052 0.000 0.964 96 Q CA 1.465 57.241 55.803 -0.045 0.000 0.855 96 Q CB -0.653 28.066 28.738 -0.031 0.000 0.918 96 Q HN 0.647 nan 8.270 nan 0.000 0.444 97 A N 0.808 123.610 122.820 -0.030 0.000 1.877 97 A HA -0.220 4.118 4.320 0.029 0.000 0.216 97 A C 1.805 179.326 177.584 -0.105 0.000 1.186 97 A CA 1.714 53.720 52.037 -0.051 0.000 0.620 97 A CB -0.602 18.375 19.000 -0.039 0.000 0.822 97 A HN 0.337 nan 8.150 nan 0.000 0.443 98 N N -0.493 118.142 118.700 -0.108 0.000 2.120 98 N HA -0.172 4.586 4.740 0.029 0.000 0.188 98 N C 1.728 176.997 175.510 -0.401 0.000 1.024 98 N CA 1.740 54.610 53.050 -0.300 0.000 0.852 98 N CB -0.546 37.850 38.487 -0.152 0.000 1.003 98 N HN 0.646 nan 8.380 nan 0.000 0.424 99 M N 0.514 120.093 119.600 -0.035 0.000 2.108 99 M HA -0.150 4.348 4.480 0.029 0.000 0.261 99 M C 1.815 178.138 176.300 0.039 0.000 1.066 99 M CA 1.736 57.075 55.300 0.065 0.000 1.107 99 M CB -0.023 32.385 32.600 -0.320 0.000 1.356 99 M HN 0.184 nan 8.290 nan 0.000 0.406 100 A N -0.543 122.247 122.820 -0.049 0.000 1.930 100 A HA -0.084 4.253 4.320 0.029 0.000 0.217 100 A C 2.021 179.598 177.584 -0.012 0.000 1.175 100 A CA 1.672 53.715 52.037 0.011 0.000 0.627 100 A CB -0.988 18.005 19.000 -0.011 0.000 0.815 100 A HN 0.428 nan 8.150 nan 0.000 0.443 101 V N -0.961 118.843 119.914 -0.183 0.000 2.295 101 V HA -0.261 3.876 4.120 0.029 0.000 0.246 101 V C 2.434 178.366 176.094 -0.271 0.000 1.049 101 V CA 1.871 63.934 62.300 -0.395 0.000 1.024 101 V CB -1.091 30.430 31.823 -0.503 0.000 0.648 101 V HN 0.636 nan 8.190 nan 0.000 0.447 102 Y N -0.840 119.389 120.300 -0.118 0.000 2.165 102 Y HA -0.215 4.354 4.550 0.030 0.000 0.286 102 Y C 2.292 178.184 175.900 -0.013 0.000 1.155 102 Y CA 0.990 59.006 58.100 -0.140 0.000 1.164 102 Y CB -1.270 37.201 38.460 0.018 0.000 0.978 102 Y HN 0.285 nan 8.280 nan 0.000 0.513 103 F N 0.680 120.718 119.950 0.146 0.000 2.216 103 F HA -0.206 4.339 4.527 0.030 0.000 0.300 103 F C 2.185 177.983 175.800 -0.003 0.000 1.085 103 F CA 1.860 59.926 58.000 0.109 0.000 1.326 103 F CB -0.502 38.545 39.000 0.079 0.000 1.027 103 F HN -0.046 nan 8.300 nan 0.000 0.497 104 T N -0.454 114.068 114.554 -0.054 0.000 2.737 104 T HA -0.117 4.251 4.350 0.029 0.000 0.265 104 T C 1.952 176.492 174.700 -0.267 0.000 1.038 104 T CA 2.020 64.010 62.100 -0.184 0.000 1.144 104 T CB -0.502 68.222 68.868 -0.240 0.000 0.866 104 T HN 0.244 nan 8.240 nan 0.000 0.434 105 V N -1.649 118.049 119.914 -0.360 0.000 3.643 105 V HA 0.481 4.618 4.120 0.029 0.000 0.280 105 V C 0.405 176.356 176.094 -0.239 0.000 1.351 105 V CA -0.098 61.967 62.300 -0.392 0.000 1.073 105 V CB -0.527 30.860 31.823 -0.728 0.000 0.863 105 V HN 0.229 nan 8.190 nan 0.000 0.436 106 L N 0.785 121.891 121.223 -0.196 0.000 2.330 106 L HA 0.667 5.025 4.340 0.029 0.000 0.271 106 L C -0.165 176.720 176.870 0.025 0.000 1.013 106 L CA -0.517 54.240 54.840 -0.137 0.000 0.816 106 L CB 2.091 43.913 42.059 -0.395 0.000 1.287 106 L HN 0.120 nan 8.230 nan 0.000 0.435 107 E N 0.042 120.288 120.200 0.078 0.000 2.227 107 E HA 0.199 4.566 4.350 0.029 0.000 0.268 107 E C -0.612 176.148 176.600 0.267 0.000 0.990 107 E CA -0.756 55.726 56.400 0.138 0.000 0.856 107 E CB 1.187 30.933 29.700 0.076 0.000 1.159 107 E HN 0.435 nan 8.360 nan 0.000 0.401 108 H N 0.874 120.030 119.070 0.142 0.000 3.094 108 H HA -0.076 4.497 4.556 0.029 0.000 0.320 108 H C 0.899 176.270 175.328 0.071 0.000 1.000 108 H CA 1.885 57.970 56.048 0.062 0.000 1.413 108 H CB 0.297 30.061 29.762 0.003 0.000 1.405 108 H HN 0.825 nan 8.280 nan 0.000 0.586 109 G N 4.453 112.984 108.800 -0.448 0.000 2.176 109 G HA2 -0.250 3.727 3.960 0.029 0.000 0.253 109 G HA3 -0.250 3.727 3.960 0.029 0.000 0.253 109 G C 0.071 174.931 174.900 -0.067 0.000 0.979 109 G CA 0.277 45.202 45.100 -0.292 0.000 0.641 109 G HN 0.689 nan 8.290 nan 0.000 0.530 110 D N 1.101 121.522 120.400 0.034 0.000 2.382 110 D HA 0.448 5.106 4.640 0.029 0.000 0.240 110 D C 0.819 177.059 176.300 -0.100 0.000 1.146 110 D CA 0.710 54.696 54.000 -0.022 0.000 0.897 110 D CB 0.684 41.460 40.800 -0.041 0.000 1.197 110 D HN 0.103 nan 8.370 nan 0.000 0.432 111 T N 0.924 115.402 114.554 -0.128 0.000 2.817 111 T HA 0.424 4.791 4.350 0.029 0.000 0.293 111 T C -0.047 174.460 174.700 -0.321 0.000 0.964 111 T CA -0.530 61.455 62.100 -0.192 0.000 1.085 111 T CB 0.821 69.630 68.868 -0.099 0.000 0.921 111 T HN -0.011 nan 8.240 nan 0.000 0.502 112 V N 4.155 123.733 119.914 -0.560 0.000 2.656 112 V HA 0.537 4.675 4.120 0.029 0.000 0.307 112 V C -0.705 175.054 176.094 -0.560 0.000 1.051 112 V CA -1.026 60.816 62.300 -0.763 0.000 0.893 112 V CB 1.947 32.807 31.823 -1.605 0.000 0.999 112 V HN 0.681 nan 8.190 nan 0.000 0.426 113 L N 3.923 125.004 121.223 -0.236 0.000 2.305 113 L HA 0.970 5.327 4.340 0.029 0.000 0.284 113 L C 0.196 177.133 176.870 0.111 0.000 1.013 113 L CA 0.516 55.352 54.840 -0.008 0.000 0.819 113 L CB 1.009 43.148 42.059 0.133 0.000 1.227 113 L HN 0.805 nan 8.230 nan 0.000 0.417 114 G N 3.956 112.795 108.800 0.064 0.000 2.733 114 G HA2 0.423 4.401 3.960 0.029 0.000 0.288 114 G HA3 0.423 4.401 3.960 0.029 0.000 0.288 114 G C -1.266 173.227 174.900 -0.678 0.000 1.373 114 G CA -0.985 44.084 45.100 -0.053 0.000 0.895 114 G HN 0.656 nan 8.290 nan 0.000 0.479 115 M N 1.682 120.845 119.600 -0.728 0.000 2.228 115 M HA 0.139 4.636 4.480 0.029 0.000 0.351 115 M C 0.633 176.653 176.300 -0.466 0.000 1.233 115 M CA -0.600 54.163 55.300 -0.894 0.000 1.129 115 M CB 0.389 32.819 32.600 -0.283 0.000 1.604 115 M HN 0.602 nan 8.290 nan 0.000 0.457 116 N N 3.822 122.228 118.700 -0.490 0.000 2.294 116 N HA -0.099 4.659 4.740 0.029 0.000 0.263 116 N C 0.488 175.828 175.510 -0.284 0.000 1.281 116 N CA 0.181 52.973 53.050 -0.430 0.000 0.846 116 N CB 0.570 38.591 38.487 -0.776 0.000 1.061 116 N HN 0.712 nan 8.380 nan 0.000 0.478 117 L N 3.422 124.506 121.223 -0.232 0.000 2.127 117 L HA -0.173 4.184 4.340 0.029 0.000 0.211 117 L C 2.290 179.078 176.870 -0.137 0.000 1.089 117 L CA 1.591 56.325 54.840 -0.176 0.000 0.757 117 L CB -0.707 41.233 42.059 -0.198 0.000 0.899 117 L HN 0.765 nan 8.230 nan 0.000 0.434 118 S N -3.142 112.475 115.700 -0.138 0.000 2.593 118 S HA -0.009 4.478 4.470 0.029 0.000 0.217 118 S C 1.406 176.053 174.600 0.077 0.000 0.966 118 S CA 0.078 58.246 58.200 -0.052 0.000 0.914 118 S CB -0.643 62.525 63.200 -0.054 0.000 0.776 118 S HN 0.601 nan 8.310 nan 0.000 0.523 119 H N -0.053 118.925 119.070 -0.155 0.000 2.652 119 H HA 0.393 4.966 4.556 0.029 0.000 0.274 119 H C 1.517 176.822 175.328 -0.039 0.000 1.021 119 H CA -0.027 55.951 56.048 -0.118 0.000 1.187 119 H CB 0.726 30.409 29.762 -0.132 0.000 1.505 119 H HN 0.598 nan 8.280 nan 0.000 0.530 120 G N 0.543 109.381 108.800 0.063 0.000 2.738 120 G HA2 -0.189 3.789 3.960 0.029 0.000 0.195 120 G HA3 -0.189 3.789 3.960 0.029 0.000 0.195 120 G C 0.738 175.665 174.900 0.046 0.000 1.001 120 G CA -0.369 44.769 45.100 0.064 0.000 0.759 120 G HN 0.514 nan 8.290 nan 0.000 0.494 121 G N -0.011 108.797 108.800 0.013 0.000 2.554 121 G HA2 0.437 4.414 3.960 0.029 0.000 0.238 121 G HA3 0.437 4.414 3.960 0.029 0.000 0.238 121 G C -0.114 174.774 174.900 -0.021 0.000 1.259 121 G CA 0.266 45.410 45.100 0.074 0.000 0.843 121 G HN 0.486 nan 8.290 nan 0.000 0.582 122 H N 1.177 120.060 119.070 -0.312 0.000 2.508 122 H HA 0.130 4.704 4.556 0.029 0.000 0.358 122 H C 1.416 176.482 175.328 -0.437 0.000 1.212 122 H CA -0.878 54.872 56.048 -0.497 0.000 1.356 122 H CB 1.619 30.902 29.762 -0.798 0.000 1.525 122 H HN 0.317 nan 8.280 nan 0.000 0.578 123 L N 2.692 123.229 121.223 -1.144 0.000 2.081 123 L HA -0.203 4.154 4.340 0.029 0.000 0.212 123 L C 2.293 178.836 176.870 -0.545 0.000 1.080 123 L CA 2.502 56.879 54.840 -0.771 0.000 0.754 123 L CB -0.690 40.896 42.059 -0.787 0.000 0.893 123 L HN 0.835 nan 8.230 nan 0.000 0.433 124 T N -4.743 109.560 114.554 -0.419 0.000 3.194 124 T HA -0.038 4.330 4.350 0.029 0.000 0.251 124 T C 0.804 175.501 174.700 -0.006 0.000 1.132 124 T CA 0.523 62.562 62.100 -0.101 0.000 1.028 124 T CB -0.991 68.028 68.868 0.251 0.000 0.976 124 T HN 0.608 nan 8.240 nan 0.000 0.535 125 H N 0.497 119.419 119.070 -0.247 0.000 2.524 125 H HA 0.500 5.074 4.556 0.029 0.000 0.297 125 H C 1.454 176.170 175.328 -1.021 0.000 1.115 125 H CA -0.473 55.368 56.048 -0.344 0.000 1.027 125 H CB 0.067 29.783 29.762 -0.077 0.000 1.591 125 H HN 0.501 nan 8.280 nan 0.000 0.543 126 G N 0.793 108.813 108.800 -1.300 0.000 2.175 126 G HA2 -0.295 3.683 3.960 0.029 0.000 0.182 126 G HA3 -0.295 3.683 3.960 0.029 0.000 0.182 126 G C 0.330 174.872 174.900 -0.597 0.000 1.003 126 G CA 0.012 44.247 45.100 -1.442 0.000 0.666 126 G HN 0.426 nan 8.290 nan 0.000 0.506 127 S N 1.315 116.740 115.700 -0.460 0.000 2.558 127 S HA 0.394 4.881 4.470 0.029 0.000 0.288 127 S C -0.025 174.439 174.600 -0.226 0.000 1.318 127 S CA 0.111 58.135 58.200 -0.293 0.000 1.056 127 S CB 1.140 64.181 63.200 -0.265 0.000 0.853 127 S HN 0.148 nan 8.310 nan 0.000 0.505 128 P HA -0.002 nan 4.420 nan 0.000 0.230 128 P C 0.915 178.175 177.300 -0.068 0.000 1.158 128 P CA 0.690 63.734 63.100 -0.094 0.000 0.769 128 P CB -0.320 31.342 31.700 -0.063 0.000 0.807 129 V N -4.417 115.455 119.914 -0.070 0.000 3.376 129 V HA 0.289 4.426 4.120 0.029 0.000 0.313 129 V C 0.622 176.698 176.094 -0.031 0.000 1.393 129 V CA -0.486 61.794 62.300 -0.033 0.000 1.125 129 V CB -0.878 30.938 31.823 -0.010 0.000 1.037 129 V HN 0.017 nan 8.190 nan 0.000 0.440 130 N N 0.557 119.209 118.700 -0.079 0.000 2.404 130 N HA 0.263 5.020 4.740 0.029 0.000 0.297 130 N C 0.964 176.440 175.510 -0.057 0.000 1.163 130 N CA -0.144 52.868 53.050 -0.064 0.000 0.864 130 N CB 2.248 40.622 38.487 -0.188 0.000 1.247 130 N HN 0.182 nan 8.380 nan 0.000 0.510 131 F N 1.804 121.767 119.950 0.023 0.000 2.161 131 F HA -0.150 4.395 4.527 0.029 0.000 0.300 131 F C 2.364 178.209 175.800 0.075 0.000 1.089 131 F CA 1.443 59.470 58.000 0.045 0.000 1.282 131 F CB -1.063 37.987 39.000 0.083 0.000 1.010 131 F HN 0.459 nan 8.300 nan 0.000 0.485 132 S N 0.637 115.687 115.700 -1.083 0.000 2.359 132 S HA -0.123 4.365 4.470 0.029 0.000 0.224 132 S C 2.320 176.824 174.600 -0.161 0.000 1.035 132 S CA 1.187 59.055 58.200 -0.553 0.000 1.018 132 S CB -1.772 60.993 63.200 -0.725 0.000 0.876 132 S HN 0.576 nan 8.310 nan 0.000 0.448 133 G N 0.561 109.186 108.800 -0.293 0.000 2.448 133 G HA2 0.031 4.008 3.960 0.029 0.000 0.218 133 G HA3 0.031 4.008 3.960 0.029 0.000 0.218 133 G C 1.381 176.249 174.900 -0.054 0.000 1.135 133 G CA 0.751 45.769 45.100 -0.136 0.000 0.784 133 G HN 0.488 nan 8.290 nan 0.000 0.543 134 V N 0.119 119.992 119.914 -0.067 0.000 2.407 134 V HA -0.098 4.040 4.120 0.029 0.000 0.245 134 V C 2.626 178.677 176.094 -0.072 0.000 1.041 134 V CA 1.995 64.275 62.300 -0.033 0.000 1.040 134 V CB 0.085 31.915 31.823 0.012 0.000 0.671 134 V HN 0.411 nan 8.190 nan 0.000 0.455 135 Q N -0.835 118.859 119.800 -0.178 0.000 2.212 135 Q HA 0.007 4.365 4.340 0.029 0.000 0.199 135 Q C 0.034 175.585 176.000 -0.748 0.000 0.950 135 Q CA 1.188 56.725 55.803 -0.444 0.000 0.863 135 Q CB 0.142 28.461 28.738 -0.699 0.000 0.944 135 Q HN 0.656 nan 8.270 nan 0.000 0.465 136 Y N -0.969 119.311 120.300 -0.032 0.000 2.630 136 Y HA 0.409 4.976 4.550 0.028 0.000 0.337 136 Y C -0.486 175.373 175.900 -0.068 0.000 1.051 136 Y CA -1.975 56.059 58.100 -0.110 0.000 1.121 136 Y CB 0.678 39.048 38.460 -0.150 0.000 1.299 136 Y HN -0.161 nan 8.280 nan 0.000 0.498 137 N N 1.111 119.819 118.700 0.012 0.000 2.602 137 N HA 0.229 4.986 4.740 0.029 0.000 0.238 137 N C -1.805 173.646 175.510 -0.098 0.000 1.084 137 N CA -0.122 52.908 53.050 -0.033 0.000 0.952 137 N CB -0.331 38.113 38.487 -0.073 0.000 1.244 137 N HN 0.399 nan 8.380 nan 0.000 0.512 138 F N 2.387 122.267 119.950 -0.117 0.000 2.396 138 F HA 0.319 4.863 4.527 0.029 0.000 0.343 138 F C 0.646 176.338 175.800 -0.181 0.000 1.104 138 F CA -0.500 57.412 58.000 -0.147 0.000 1.161 138 F CB 1.032 39.944 39.000 -0.148 0.000 1.146 138 F HN 0.150 nan 8.300 nan 0.000 0.522 139 V N 0.580 120.444 119.914 -0.083 0.000 2.864 139 V HA 0.989 5.127 4.120 0.029 0.000 0.314 139 V C -0.645 175.394 176.094 -0.093 0.000 1.073 139 V CA -1.115 61.069 62.300 -0.192 0.000 0.956 139 V CB 1.294 32.818 31.823 -0.498 0.000 1.023 139 V HN 0.915 nan 8.190 nan 0.000 0.435 140 A N 2.517 125.269 122.820 -0.113 0.000 2.413 140 A HA 0.956 5.294 4.320 0.029 0.000 0.307 140 A C -1.047 176.481 177.584 -0.094 0.000 1.087 140 A CA -0.745 51.190 52.037 -0.170 0.000 0.750 140 A CB 1.593 20.455 19.000 -0.229 0.000 1.296 140 A HN 1.565 nan 8.150 nan 0.000 0.423 141 Y N -0.352 119.934 120.300 -0.022 0.000 2.496 141 Y HA 0.841 5.408 4.550 0.029 0.000 0.331 141 Y C 0.455 176.321 175.900 -0.057 0.000 1.140 141 Y CA -0.913 57.175 58.100 -0.019 0.000 1.166 141 Y CB 0.949 39.406 38.460 -0.005 0.000 1.249 141 Y HN 0.814 nan 8.280 nan 0.000 0.479 142 G N 0.298 109.228 108.800 0.217 0.000 2.788 142 G HA2 0.604 4.581 3.960 0.029 0.000 0.293 142 G HA3 0.604 4.581 3.960 0.029 0.000 0.293 142 G C -1.068 174.045 174.900 0.355 0.000 1.305 142 G CA -0.697 44.558 45.100 0.258 0.000 1.005 142 G HN 1.100 nan 8.290 nan 0.000 0.496 143 V N -1.926 118.279 119.914 0.485 0.000 2.837 143 V HA 0.528 4.665 4.120 0.029 0.000 0.310 143 V C 0.157 176.443 176.094 0.319 0.000 1.059 143 V CA -1.094 61.380 62.300 0.290 0.000 1.004 143 V CB 1.766 33.748 31.823 0.265 0.000 1.045 143 V HN 0.705 nan 8.190 nan 0.000 0.465 144 D N 2.969 123.495 120.400 0.210 0.000 2.443 144 D HA 0.144 4.801 4.640 0.029 0.000 0.239 144 D C -1.705 174.668 176.300 0.122 0.000 1.136 144 D CA -1.080 52.998 54.000 0.131 0.000 0.879 144 D CB 2.025 42.860 40.800 0.058 0.000 1.195 144 D HN 0.435 nan 8.370 nan 0.000 0.443 145 P HA -0.091 nan 4.420 nan 0.000 0.220 145 P C 0.544 177.741 177.300 -0.172 0.000 1.148 145 P CA 1.060 63.994 63.100 -0.276 0.000 0.803 145 P CB 0.466 31.859 31.700 -0.511 0.000 0.782 146 E N -1.574 118.499 120.200 -0.211 0.000 2.175 146 E HA -0.025 4.342 4.350 0.029 0.000 0.195 146 E C 1.966 178.282 176.600 -0.473 0.000 0.934 146 E CA 1.379 57.603 56.400 -0.293 0.000 0.870 146 E CB -1.172 28.431 29.700 -0.161 0.000 0.838 146 E HN 0.235 nan 8.360 nan 0.000 0.474 147 T N -2.019 112.361 114.554 -0.290 0.000 3.043 147 T HA -0.066 4.301 4.350 0.029 0.000 0.263 147 T C 0.174 174.777 174.700 -0.163 0.000 1.094 147 T CA 0.712 62.687 62.100 -0.208 0.000 1.127 147 T CB -0.182 68.656 68.868 -0.049 0.000 0.905 147 T HN 0.166 nan 8.240 nan 0.000 0.490 148 H N -0.675 118.446 119.070 0.085 0.000 3.047 148 H HA -0.107 4.467 4.556 0.029 0.000 0.263 148 H C -0.218 175.239 175.328 0.214 0.000 1.168 148 H CA 0.502 56.623 56.048 0.122 0.000 1.152 148 H CB -2.652 27.160 29.762 0.084 0.000 1.278 148 H HN 0.404 nan 8.280 nan 0.000 0.339 149 V N 1.521 121.599 119.914 0.273 0.000 2.539 149 V HA 0.216 4.353 4.120 0.029 0.000 0.292 149 V C 1.645 177.889 176.094 0.251 0.000 1.045 149 V CA -0.703 61.804 62.300 0.345 0.000 0.945 149 V CB 1.870 33.833 31.823 0.234 0.000 0.993 149 V HN 0.166 nan 8.190 nan 0.000 0.464 150 I N 3.525 124.200 120.570 0.176 0.000 2.906 150 I HA -0.082 4.106 4.170 0.029 0.000 0.302 150 I C 0.682 176.642 176.117 -0.261 0.000 1.220 150 I CA 0.667 61.857 61.300 -0.183 0.000 1.441 150 I CB 0.106 37.762 38.000 -0.573 0.000 1.336 150 I HN 0.643 nan 8.210 nan 0.000 0.565 151 D N 6.881 127.179 120.400 -0.170 0.000 2.422 151 D HA 0.052 4.709 4.640 0.029 0.000 0.227 151 D C 0.603 176.742 176.300 -0.268 0.000 1.190 151 D CA -0.066 53.871 54.000 -0.105 0.000 0.905 151 D CB 0.414 41.227 40.800 0.021 0.000 1.034 151 D HN 0.333 nan 8.370 nan 0.000 0.507 152 Y N 1.592 121.805 120.300 -0.145 0.000 2.333 152 Y HA -0.136 4.431 4.550 0.029 0.000 0.290 152 Y C 1.997 177.785 175.900 -0.186 0.000 1.144 152 Y CA 0.766 58.709 58.100 -0.262 0.000 1.228 152 Y CB 0.188 38.486 38.460 -0.269 0.000 0.985 152 Y HN 0.399 nan 8.280 nan 0.000 0.542 153 D N -0.193 120.213 120.400 0.009 0.000 2.178 153 D HA -0.171 4.486 4.640 0.029 0.000 0.202 153 D C 1.556 177.847 176.300 -0.016 0.000 0.974 153 D CA 1.493 55.491 54.000 -0.004 0.000 0.841 153 D CB -0.233 40.573 40.800 0.011 0.000 0.953 153 D HN 0.415 nan 8.370 nan 0.000 0.478 154 D N 0.365 120.753 120.400 -0.019 0.000 2.149 154 D HA -0.109 4.549 4.640 0.029 0.000 0.201 154 D C 2.125 178.427 176.300 0.003 0.000 0.972 154 D CA 0.450 54.461 54.000 0.019 0.000 0.835 154 D CB 0.192 41.031 40.800 0.065 0.000 0.966 154 D HN -0.096 nan 8.370 nan 0.000 0.476 155 V N 0.581 120.415 119.914 -0.134 0.000 2.287 155 V HA -0.241 3.897 4.120 0.029 0.000 0.248 155 V C 2.632 178.674 176.094 -0.086 0.000 1.053 155 V CA 2.112 64.278 62.300 -0.224 0.000 1.027 155 V CB -0.636 30.798 31.823 -0.649 0.000 0.646 155 V HN 0.232 nan 8.190 nan 0.000 0.447 156 R N 0.002 120.450 120.500 -0.087 0.000 2.075 156 R HA -0.210 4.147 4.340 0.029 0.000 0.232 156 R C 2.411 178.709 176.300 -0.004 0.000 1.126 156 R CA 2.002 58.079 56.100 -0.038 0.000 0.963 156 R CB -0.266 30.010 30.300 -0.039 0.000 0.858 156 R HN 0.698 nan 8.270 nan 0.000 0.435 157 E N 0.244 120.447 120.200 0.005 0.000 2.047 157 E HA -0.191 4.176 4.350 0.029 0.000 0.191 157 E C 1.513 178.131 176.600 0.030 0.000 0.987 157 E CA 1.074 57.481 56.400 0.012 0.000 0.799 157 E CB 0.192 29.901 29.700 0.015 0.000 0.752 157 E HN 0.153 nan 8.360 nan 0.000 0.449 158 K N 0.366 120.818 120.400 0.087 0.000 2.057 158 K HA -0.103 4.234 4.320 0.029 0.000 0.207 158 K C 2.105 178.813 176.600 0.178 0.000 1.049 158 K CA 1.093 57.495 56.287 0.191 0.000 0.931 158 K CB -0.501 32.152 32.500 0.254 0.000 0.714 158 K HN 0.204 nan 8.250 nan 0.000 0.440 159 A N 1.725 124.615 122.820 0.117 0.000 1.877 159 A HA -0.179 4.159 4.320 0.029 0.000 0.216 159 A C 2.254 179.869 177.584 0.052 0.000 1.186 159 A CA 1.484 53.577 52.037 0.094 0.000 0.620 159 A CB -0.417 18.625 19.000 0.069 0.000 0.822 159 A HN 0.265 nan 8.150 nan 0.000 0.443 160 R N -1.310 119.201 120.500 0.020 0.000 2.115 160 R HA -0.052 4.306 4.340 0.029 0.000 0.230 160 R C 2.079 178.354 176.300 -0.040 0.000 1.111 160 R CA 1.259 57.355 56.100 -0.007 0.000 0.976 160 R CB -0.408 29.885 30.300 -0.013 0.000 0.870 160 R HN 0.499 nan 8.270 nan 0.000 0.445 161 L N 0.008 121.178 121.223 -0.087 0.000 2.023 161 L HA -0.098 4.259 4.340 0.029 0.000 0.205 161 L C 1.784 178.493 176.870 -0.269 0.000 1.073 161 L CA 1.909 56.616 54.840 -0.221 0.000 0.745 161 L CB -0.411 41.427 42.059 -0.369 0.000 0.900 161 L HN 0.183 nan 8.230 nan 0.000 0.435 162 H N 0.332 119.404 119.070 0.004 0.000 2.551 162 H HA 0.220 4.794 4.556 0.029 0.000 0.266 162 H C -0.005 175.316 175.328 -0.012 0.000 0.964 162 H CA 0.145 56.190 56.048 -0.006 0.000 1.180 162 H CB 0.190 29.948 29.762 -0.007 0.000 1.408 162 H HN 0.164 nan 8.280 nan 0.000 0.563 163 R N 0.564 121.112 120.500 0.080 0.000 3.127 163 R HA -0.108 4.249 4.340 0.029 0.000 0.247 163 R C -2.597 173.724 176.300 0.035 0.000 0.896 163 R CA -0.007 56.118 56.100 0.042 0.000 0.624 163 R CB -2.378 27.934 30.300 0.020 0.000 1.154 163 R HN 0.441 nan 8.270 nan 0.000 0.474 164 P HA 0.074 nan 4.420 nan 0.000 0.272 164 P C 0.586 177.881 177.300 -0.009 0.000 1.223 164 P CA -0.284 62.806 63.100 -0.015 0.000 0.784 164 P CB 0.899 32.586 31.700 -0.022 0.000 0.923 165 K N 0.871 121.251 120.400 -0.034 0.000 2.228 165 K HA 0.033 4.371 4.320 0.029 0.000 0.202 165 K C 0.416 177.062 176.600 0.078 0.000 1.051 165 K CA 0.597 56.894 56.287 0.018 0.000 0.960 165 K CB -0.025 32.474 32.500 -0.002 0.000 0.743 165 K HN 0.325 nan 8.250 nan 0.000 0.458 166 L N 0.798 122.018 121.223 -0.006 0.000 2.422 166 L HA 0.484 4.841 4.340 0.029 0.000 0.264 166 L C -1.613 175.269 176.870 0.019 0.000 0.984 166 L CA -0.664 54.199 54.840 0.039 0.000 0.819 166 L CB 1.932 43.952 42.059 -0.065 0.000 1.330 166 L HN -0.062 nan 8.230 nan 0.000 0.410 167 I N 4.686 125.328 120.570 0.120 0.000 2.433 167 I HA 0.518 4.706 4.170 0.029 0.000 0.292 167 I C -0.861 175.348 176.117 0.154 0.000 1.001 167 I CA -0.993 60.405 61.300 0.164 0.000 1.119 167 I CB 2.023 40.177 38.000 0.256 0.000 1.289 167 I HN 0.252 nan 8.210 nan 0.000 0.438 168 V N 5.283 125.280 119.914 0.138 0.000 2.459 168 V HA 0.725 4.862 4.120 0.029 0.000 0.295 168 V C 0.162 176.237 176.094 -0.033 0.000 1.029 168 V CA -0.432 61.887 62.300 0.031 0.000 0.874 168 V CB 1.546 33.352 31.823 -0.027 0.000 0.985 168 V HN 0.845 nan 8.190 nan 0.000 0.438 169 A N 3.989 126.675 122.820 -0.225 0.000 2.374 169 A HA 1.058 5.395 4.320 0.029 0.000 0.317 169 A C -0.024 177.463 177.584 -0.162 0.000 1.094 169 A CA 0.043 51.805 52.037 -0.457 0.000 0.765 169 A CB 1.585 19.872 19.000 -1.188 0.000 1.268 169 A HN 2.493 nan 8.150 nan 0.000 0.438 170 A N -0.727 122.074 122.820 -0.031 0.000 2.435 170 A HA 0.570 4.908 4.320 0.029 0.000 0.686 170 A C -0.262 177.446 177.584 0.207 0.000 0.139 170 A CA -0.011 52.101 52.037 0.126 0.000 0.026 170 A CB -1.499 17.596 19.000 0.158 0.000 3.973 170 A HN 2.981 nan 8.150 nan 0.000 0.548 171 A N -0.887 122.078 122.820 0.242 0.000 2.581 171 A HA 0.881 5.218 4.320 0.029 0.000 0.290 171 A C 0.542 178.192 177.584 0.111 0.000 1.119 171 A CA 0.613 52.782 52.037 0.221 0.000 0.670 171 A CB 0.700 19.812 19.000 0.186 0.000 1.280 171 A HN 1.997 nan 8.150 nan 0.000 0.425 172 S N -0.544 115.169 115.700 0.022 0.000 2.517 172 S HA 0.426 4.914 4.470 0.029 0.000 0.214 172 S C 0.713 175.098 174.600 -0.358 0.000 0.991 172 S CA 0.799 58.883 58.200 -0.195 0.000 0.906 172 S CB 0.538 63.776 63.200 0.064 0.000 0.789 172 S HN 1.734 nan 8.310 nan 0.000 0.513 173 A N 0.785 123.529 122.820 -0.128 0.000 3.339 173 A HA 0.455 4.793 4.320 0.029 0.000 0.219 173 A C -0.977 176.636 177.584 0.048 0.000 0.974 173 A CA -0.326 51.653 52.037 -0.096 0.000 1.050 173 A CB 0.077 19.037 19.000 -0.068 0.000 1.271 173 A HN 0.300 nan 8.150 nan 0.000 0.565 174 Y N 2.026 122.289 120.300 -0.061 0.000 2.345 174 Y HA 0.542 5.109 4.550 0.028 0.000 0.331 174 Y C -2.173 173.734 175.900 0.012 0.000 0.959 174 Y CA -2.324 55.784 58.100 0.013 0.000 1.204 174 Y CB 2.128 40.637 38.460 0.081 0.000 1.135 174 Y HN 0.265 nan 8.280 nan 0.000 0.477 175 P HA 0.088 nan 4.420 nan 0.000 0.249 175 P C -0.191 176.903 177.300 -0.343 0.000 1.229 175 P CA 0.557 63.484 63.100 -0.288 0.000 0.788 175 P CB 0.530 32.106 31.700 -0.206 0.000 1.072 176 R N -0.140 119.945 120.500 -0.690 0.000 2.873 176 R HA 0.495 4.853 4.340 0.029 0.000 0.264 176 R C 0.469 176.705 176.300 -0.108 0.000 1.026 176 R CA -1.515 54.341 56.100 -0.408 0.000 1.002 176 R CB 0.661 30.694 30.300 -0.444 0.000 1.174 176 R HN 0.009 nan 8.270 nan 0.000 0.488 177 I N 1.939 122.513 120.570 0.007 0.000 2.752 177 I HA 0.021 4.208 4.170 0.029 0.000 0.287 177 I C 0.532 176.751 176.117 0.169 0.000 1.188 177 I CA 0.443 61.754 61.300 0.019 0.000 1.427 177 I CB 0.342 38.206 38.000 -0.226 0.000 1.365 177 I HN 0.240 nan 8.210 nan 0.000 0.585 178 I N 5.295 125.965 120.570 0.166 0.000 2.385 178 I HA 0.117 4.305 4.170 0.029 0.000 0.294 178 I C 0.099 175.962 176.117 -0.424 0.000 0.988 178 I CA -0.346 60.974 61.300 0.033 0.000 1.265 178 I CB 1.114 39.096 38.000 -0.031 0.000 1.388 178 I HN 0.487 nan 8.210 nan 0.000 0.480 179 D N 6.286 126.605 120.400 -0.135 0.000 2.468 179 D HA 0.149 4.807 4.640 0.029 0.000 0.218 179 D C 0.699 176.894 176.300 -0.175 0.000 1.155 179 D CA -0.065 53.749 54.000 -0.311 0.000 0.924 179 D CB 0.367 40.885 40.800 -0.470 0.000 1.029 179 D HN 0.345 nan 8.370 nan 0.000 0.515 180 F N 1.916 121.834 119.950 -0.053 0.000 2.234 180 F HA -0.086 4.459 4.527 0.029 0.000 0.299 180 F C 2.518 178.076 175.800 -0.404 0.000 1.087 180 F CA 0.544 58.473 58.000 -0.119 0.000 1.340 180 F CB -0.055 38.859 39.000 -0.144 0.000 1.031 180 F HN 0.441 nan 8.300 nan 0.000 0.500 181 A N 0.626 123.042 122.820 -0.674 0.000 1.902 181 A HA -0.204 4.134 4.320 0.029 0.000 0.217 181 A C 2.191 179.690 177.584 -0.141 0.000 1.181 181 A CA 1.616 53.365 52.037 -0.480 0.000 0.623 181 A CB -0.531 18.260 19.000 -0.350 0.000 0.818 181 A HN 0.310 nan 8.150 nan 0.000 0.443 182 K N -1.566 118.714 120.400 -0.200 0.000 2.057 182 K HA -0.052 4.285 4.320 0.029 0.000 0.206 182 K C 1.668 178.213 176.600 -0.091 0.000 1.050 182 K CA 1.359 57.517 56.287 -0.214 0.000 0.935 182 K CB -0.329 31.864 32.500 -0.512 0.000 0.715 182 K HN 0.454 nan 8.250 nan 0.000 0.439 183 F N 1.313 121.278 119.950 0.024 0.000 2.126 183 F HA -0.199 4.346 4.527 0.030 0.000 0.299 183 F C 2.615 178.466 175.800 0.085 0.000 1.096 183 F CA 1.337 59.389 58.000 0.087 0.000 1.255 183 F CB -0.162 38.932 39.000 0.158 0.000 0.997 183 F HN -0.064 nan 8.300 nan 0.000 0.479 184 R N 0.862 121.524 120.500 0.269 0.000 2.092 184 R HA -0.142 4.215 4.340 0.029 0.000 0.231 184 R C 2.036 178.419 176.300 0.139 0.000 1.119 184 R CA 1.662 57.888 56.100 0.210 0.000 0.970 184 R CB -0.749 29.695 30.300 0.240 0.000 0.864 184 R HN 0.402 nan 8.270 nan 0.000 0.440 185 E N -0.150 120.104 120.200 0.089 0.000 2.077 185 E HA -0.180 4.187 4.350 0.029 0.000 0.193 185 E C 1.830 178.452 176.600 0.038 0.000 0.989 185 E CA 1.614 58.043 56.400 0.048 0.000 0.800 185 E CB -0.112 29.591 29.700 0.005 0.000 0.746 185 E HN 0.430 nan 8.360 nan 0.000 0.452 186 I N 0.750 121.337 120.570 0.029 0.000 2.252 186 I HA -0.224 3.963 4.170 0.029 0.000 0.245 186 I C 2.582 178.735 176.117 0.060 0.000 1.102 186 I CA 0.914 62.226 61.300 0.020 0.000 1.385 186 I CB -0.296 37.688 38.000 -0.028 0.000 1.064 186 I HN 0.151 nan 8.210 nan 0.000 0.414 187 A N 0.563 123.450 122.820 0.112 0.000 1.908 187 A HA -0.252 4.085 4.320 0.029 0.000 0.218 187 A C 1.946 179.585 177.584 0.091 0.000 1.181 187 A CA 2.159 54.274 52.037 0.130 0.000 0.627 187 A CB -0.610 18.513 19.000 0.205 0.000 0.818 187 A HN 0.339 nan 8.150 nan 0.000 0.445 188 D N -0.767 119.687 120.400 0.090 0.000 2.144 188 D HA -0.143 4.514 4.640 0.029 0.000 0.199 188 D C 1.868 178.188 176.300 0.034 0.000 0.984 188 D CA 1.400 55.438 54.000 0.063 0.000 0.834 188 D CB -0.370 40.468 40.800 0.063 0.000 0.955 188 D HN 0.739 nan 8.370 nan 0.000 0.465 189 E N 0.392 120.611 120.200 0.031 0.000 2.118 189 E HA -0.158 4.209 4.350 0.029 0.000 0.195 189 E C 1.705 178.312 176.600 0.012 0.000 0.992 189 E CA 1.320 57.730 56.400 0.016 0.000 0.804 189 E CB 0.264 29.970 29.700 0.011 0.000 0.741 189 E HN 0.236 nan 8.360 nan 0.000 0.458 190 V N -3.444 116.480 119.914 0.017 0.000 3.578 190 V HA 0.445 4.582 4.120 0.029 0.000 0.290 190 V C 0.966 177.060 176.094 -0.001 0.000 1.376 190 V CA 0.326 62.633 62.300 0.011 0.000 1.083 190 V CB 0.084 31.920 31.823 0.021 0.000 0.911 190 V HN 0.278 nan 8.190 nan 0.000 0.433 191 G N 0.339 109.133 108.800 -0.010 0.000 2.225 191 G HA2 0.031 4.009 3.960 0.029 0.000 0.264 191 G HA3 0.031 4.009 3.960 0.029 0.000 0.264 191 G C 0.174 175.021 174.900 -0.088 0.000 1.060 191 G CA 0.392 45.462 45.100 -0.050 0.000 0.833 191 G HN 1.666 nan 8.290 nan 0.000 0.498 192 A N -0.713 122.082 122.820 -0.042 0.000 2.320 192 A HA 0.859 5.196 4.320 0.029 0.000 0.334 192 A C -0.027 177.532 177.584 -0.041 0.000 1.147 192 A CA -0.821 51.200 52.037 -0.026 0.000 0.820 192 A CB 0.961 19.997 19.000 0.061 0.000 1.218 192 A HN 0.545 nan 8.150 nan 0.000 0.482 193 Y N -0.164 120.135 120.300 -0.002 0.000 2.314 193 Y HA 0.393 4.961 4.550 0.030 0.000 0.334 193 Y C 0.278 176.321 175.900 0.238 0.000 1.266 193 Y CA 0.293 58.377 58.100 -0.025 0.000 1.391 193 Y CB 0.814 39.248 38.460 -0.044 0.000 1.306 193 Y HN 0.566 nan 8.280 nan 0.000 0.558 194 L N 4.262 125.887 121.223 0.671 0.000 2.333 194 L HA 0.529 4.887 4.340 0.029 0.000 0.280 194 L C -0.945 176.133 176.870 0.346 0.000 1.004 194 L CA -0.820 54.258 54.840 0.397 0.000 0.820 194 L CB 1.260 43.495 42.059 0.293 0.000 1.247 194 L HN 0.723 nan 8.230 nan 0.000 0.416 195 M N 5.754 125.496 119.600 0.238 0.000 2.227 195 M HA 0.616 5.113 4.480 0.029 0.000 0.335 195 M C -1.729 174.587 176.300 0.026 0.000 1.053 195 M CA -0.622 54.786 55.300 0.180 0.000 0.973 195 M CB 1.584 34.274 32.600 0.150 0.000 1.623 195 M HN 0.433 nan 8.290 nan 0.000 0.434 196 V N 4.315 124.202 119.914 -0.044 0.000 2.384 196 V HA 0.268 4.405 4.120 0.029 0.000 0.287 196 V C -0.627 175.400 176.094 -0.112 0.000 1.020 196 V CA -0.592 61.620 62.300 -0.147 0.000 0.850 196 V CB 1.517 33.117 31.823 -0.372 0.000 0.987 196 V HN 0.774 nan 8.190 nan 0.000 0.436 197 D N 5.852 126.213 120.400 -0.066 0.000 2.456 197 D HA 0.232 4.890 4.640 0.029 0.000 0.219 197 D C 0.795 177.095 176.300 0.002 0.000 1.126 197 D CA -0.469 53.526 54.000 -0.008 0.000 0.890 197 D CB 1.091 41.965 40.800 0.123 0.000 1.025 197 D HN 0.606 nan 8.370 nan 0.000 0.511 198 M N 1.703 121.258 119.600 -0.074 0.000 2.530 198 M HA 0.366 4.864 4.480 0.029 0.000 0.231 198 M C 1.367 177.630 176.300 -0.063 0.000 1.180 198 M CA -0.421 54.839 55.300 -0.066 0.000 0.985 198 M CB 0.642 33.152 32.600 -0.151 0.000 1.623 198 M HN 0.139 nan 8.290 nan 0.000 0.475 199 A N 1.060 123.843 122.820 -0.061 0.000 1.896 199 A HA -0.257 4.080 4.320 0.029 0.000 0.220 199 A C 1.810 179.309 177.584 -0.141 0.000 1.206 199 A CA 2.498 54.456 52.037 -0.131 0.000 0.647 199 A CB -1.283 17.617 19.000 -0.166 0.000 0.828 199 A HN 0.735 nan 8.150 nan 0.000 0.455 200 H N -0.387 118.639 119.070 -0.073 0.000 2.387 200 H HA 0.000 4.575 4.556 0.031 0.000 0.299 200 H C 1.746 176.941 175.328 -0.222 0.000 1.090 200 H CA 1.835 57.845 56.048 -0.064 0.000 1.332 200 H CB -0.116 29.732 29.762 0.143 0.000 1.386 200 H HN 0.670 nan 8.280 nan 0.000 0.516 201 I N -2.906 117.650 120.570 -0.023 0.000 3.928 201 I HA 0.386 4.573 4.170 0.029 0.000 0.335 201 I C 1.919 178.021 176.117 -0.024 0.000 1.325 201 I CA 0.285 61.534 61.300 -0.084 0.000 1.107 201 I CB 0.263 38.189 38.000 -0.123 0.000 1.014 201 I HN 0.079 nan 8.210 nan 0.000 0.400 202 A N 2.273 125.087 122.820 -0.011 0.000 1.917 202 A HA -0.109 4.228 4.320 0.029 0.000 0.219 202 A C 2.354 180.102 177.584 0.275 0.000 1.182 202 A CA 2.142 54.239 52.037 0.100 0.000 0.633 202 A CB -1.445 17.563 19.000 0.012 0.000 0.819 202 A HN 0.548 nan 8.150 nan 0.000 0.448 203 G N -0.331 108.607 108.800 0.230 0.000 2.422 203 G HA2 -0.134 3.843 3.960 0.029 0.000 0.218 203 G HA3 -0.134 3.843 3.960 0.029 0.000 0.218 203 G C 1.527 176.621 174.900 0.323 0.000 1.146 203 G CA 1.020 46.360 45.100 0.400 0.000 0.769 203 G HN 0.460 nan 8.290 nan 0.000 0.547 204 L N 0.198 121.523 121.223 0.170 0.000 2.056 204 L HA -0.048 4.309 4.340 0.029 0.000 0.207 204 L C 2.943 179.943 176.870 0.218 0.000 1.078 204 L CA 0.345 55.276 54.840 0.152 0.000 0.749 204 L CB -0.681 41.461 42.059 0.139 0.000 0.901 204 L HN 0.063 nan 8.230 nan 0.000 0.433 205 V N 0.562 120.628 119.914 0.252 0.000 2.295 205 V HA -0.296 3.841 4.120 0.029 0.000 0.246 205 V C 2.813 179.049 176.094 0.236 0.000 1.049 205 V CA 1.931 64.412 62.300 0.302 0.000 1.024 205 V CB -0.841 31.190 31.823 0.348 0.000 0.648 205 V HN 0.486 nan 8.190 nan 0.000 0.447 206 A N -0.355 122.584 122.820 0.200 0.000 2.019 206 A HA 0.002 4.339 4.320 0.029 0.000 0.219 206 A C 2.141 179.757 177.584 0.053 0.000 1.164 206 A CA 1.789 53.774 52.037 -0.086 0.000 0.644 206 A CB -0.469 18.377 19.000 -0.257 0.000 0.805 206 A HN 0.611 nan 8.150 nan 0.000 0.449 207 A N -1.930 120.999 122.820 0.181 0.000 2.275 207 A HA 0.446 4.784 4.320 0.029 0.000 0.212 207 A C 1.626 179.271 177.584 0.103 0.000 1.201 207 A CA 1.019 53.151 52.037 0.160 0.000 0.843 207 A CB -0.809 18.284 19.000 0.154 0.000 0.873 207 A HN 1.828 nan 8.150 nan 0.000 0.492 208 G N -0.932 107.934 108.800 0.110 0.000 2.143 208 G HA2 -0.239 3.739 3.960 0.029 0.000 0.248 208 G HA3 -0.239 3.739 3.960 0.029 0.000 0.248 208 G C 0.548 175.511 174.900 0.104 0.000 0.991 208 G CA 0.519 45.680 45.100 0.102 0.000 0.689 208 G HN 0.520 nan 8.290 nan 0.000 0.522 209 L N -0.297 121.001 121.223 0.125 0.000 2.640 209 L HA 0.372 4.730 4.340 0.029 0.000 0.230 209 L C 0.907 177.874 176.870 0.161 0.000 1.123 209 L CA -0.128 54.777 54.840 0.109 0.000 0.900 209 L CB 0.275 42.379 42.059 0.076 0.000 1.146 209 L HN 0.397 nan 8.230 nan 0.000 0.484 210 H N 0.476 119.618 119.070 0.121 0.000 2.771 210 H HA 0.352 4.926 4.556 0.030 0.000 0.361 210 H C -2.700 172.748 175.328 0.200 0.000 1.108 210 H CA -1.966 54.174 56.048 0.154 0.000 1.201 210 H CB 2.645 32.521 29.762 0.189 0.000 1.681 210 H HN -0.254 nan 8.280 nan 0.000 0.534 211 P HA -0.066 nan 4.420 nan 0.000 0.264 211 P C -0.122 177.553 177.300 0.625 0.000 1.183 211 P CA 0.210 63.505 63.100 0.325 0.000 0.763 211 P CB 0.479 32.285 31.700 0.177 0.000 0.807 212 N N 4.283 123.255 118.700 0.453 0.000 2.458 212 N HA 0.102 4.860 4.740 0.029 0.000 0.270 212 N C -1.506 174.201 175.510 0.327 0.000 1.102 212 N CA -2.244 51.020 53.050 0.357 0.000 0.967 212 N CB 0.499 39.132 38.487 0.243 0.000 1.078 212 N HN 0.208 nan 8.380 nan 0.000 0.471 213 P HA -0.062 nan 4.420 nan 0.000 0.229 213 P C 1.399 178.648 177.300 -0.085 0.000 1.160 213 P CA 0.366 63.237 63.100 -0.381 0.000 0.777 213 P CB 0.487 31.577 31.700 -1.016 0.000 0.814 214 V N 2.514 122.396 119.914 -0.053 0.000 2.250 214 V HA -0.186 3.952 4.120 0.029 0.000 0.250 214 V C -0.142 175.900 176.094 -0.085 0.000 1.060 214 V CA 2.935 65.201 62.300 -0.056 0.000 1.030 214 V CB -2.604 29.215 31.823 -0.008 0.000 0.643 214 V HN 0.224 nan 8.190 nan 0.000 0.445 215 P HA -0.106 nan 4.420 nan 0.000 0.226 215 P C 0.940 178.003 177.300 -0.395 0.000 1.153 215 P CA 1.523 64.440 63.100 -0.305 0.000 0.777 215 P CB -0.088 31.350 31.700 -0.437 0.000 0.794 216 Y N -0.695 119.585 120.300 -0.033 0.000 2.507 216 Y HA 0.433 5.000 4.550 0.029 0.000 0.263 216 Y C 1.476 177.308 175.900 -0.114 0.000 1.093 216 Y CA -0.230 57.853 58.100 -0.028 0.000 1.285 216 Y CB -0.264 38.250 38.460 0.091 0.000 1.115 216 Y HN -0.162 nan 8.280 nan 0.000 0.533 217 A N -0.670 122.143 122.820 -0.012 0.000 2.312 217 A HA 0.403 4.741 4.320 0.029 0.000 0.328 217 A C -0.129 177.338 177.584 -0.196 0.000 1.158 217 A CA -0.453 51.531 52.037 -0.088 0.000 0.821 217 A CB 0.368 19.328 19.000 -0.067 0.000 1.170 217 A HN 0.442 nan 8.150 nan 0.000 0.490 218 H N 0.629 119.653 119.070 -0.076 0.000 2.395 218 H HA 0.127 4.700 4.556 0.029 0.000 0.299 218 H C -0.667 174.218 175.328 -0.738 0.000 1.070 218 H CA 2.016 57.858 56.048 -0.344 0.000 1.356 218 H CB -0.006 29.448 29.762 -0.514 0.000 1.401 218 H HN 0.568 nan 8.280 nan 0.000 0.524 219 F N -0.487 119.501 119.950 0.065 0.000 2.556 219 F HA 0.484 5.028 4.527 0.028 0.000 0.314 219 F C -0.841 174.921 175.800 -0.064 0.000 1.106 219 F CA -1.196 56.791 58.000 -0.022 0.000 0.911 219 F CB 1.943 40.886 39.000 -0.096 0.000 1.190 219 F HN -0.346 nan 8.300 nan 0.000 0.448 220 V N 1.719 121.675 119.914 0.070 0.000 2.483 220 V HA 0.573 4.711 4.120 0.029 0.000 0.297 220 V C -0.274 175.775 176.094 -0.075 0.000 1.027 220 V CA -0.707 61.554 62.300 -0.065 0.000 0.855 220 V CB 1.946 33.666 31.823 -0.172 0.000 0.995 220 V HN 0.900 nan 8.190 nan 0.000 0.424 221 T N 0.871 115.374 114.554 -0.085 0.000 2.952 221 T HA 0.857 5.224 4.350 0.029 0.000 0.286 221 T C -0.289 174.332 174.700 -0.131 0.000 1.024 221 T CA -0.663 61.382 62.100 -0.093 0.000 1.029 221 T CB 2.193 71.016 68.868 -0.074 0.000 1.094 221 T HN 0.744 nan 8.240 nan 0.000 0.515 222 T N 0.254 114.731 114.554 -0.129 0.000 2.775 222 T HA 0.580 4.948 4.350 0.029 0.000 0.320 222 T C -0.856 173.765 174.700 -0.132 0.000 1.597 222 T CA -0.365 61.644 62.100 -0.152 0.000 1.022 222 T CB 1.269 70.002 68.868 -0.226 0.000 1.485 222 T HN 1.201 nan 8.240 nan 0.000 0.494 223 T N -0.214 114.222 114.554 -0.198 0.000 2.927 223 T HA 0.507 4.874 4.350 0.029 0.000 0.281 223 T C 1.329 175.916 174.700 -0.189 0.000 0.998 223 T CA 0.120 62.060 62.100 -0.267 0.000 1.019 223 T CB 1.131 69.577 68.868 -0.704 0.000 1.061 223 T HN 0.770 nan 8.240 nan 0.000 0.518 224 T N -2.170 112.349 114.554 -0.059 0.000 3.086 224 T HA 0.044 4.412 4.350 0.029 0.000 0.250 224 T C 1.201 175.941 174.700 0.066 0.000 1.074 224 T CA 0.098 62.248 62.100 0.084 0.000 0.988 224 T CB -0.472 68.498 68.868 0.169 0.000 0.988 224 T HN 0.918 nan 8.240 nan 0.000 0.530 225 H N -0.239 118.831 119.070 -0.001 0.000 2.586 225 H HA 0.476 5.051 4.556 0.031 0.000 0.273 225 H C 0.830 176.130 175.328 -0.047 0.000 0.997 225 H CA -0.525 55.511 56.048 -0.021 0.000 1.177 225 H CB 0.344 30.082 29.762 -0.040 0.000 1.471 225 H HN 0.268 nan 8.280 nan 0.000 0.538 226 K N 1.154 121.455 120.400 -0.165 0.000 3.502 226 K HA 0.054 4.392 4.320 0.029 0.000 0.163 226 K C 1.966 178.534 176.600 -0.052 0.000 1.142 226 K CA 0.814 57.004 56.287 -0.162 0.000 1.539 226 K CB -0.173 32.101 32.500 -0.378 0.000 2.125 226 K HN 0.148 nan 8.250 nan 0.000 0.491 227 T N 0.394 114.895 114.554 -0.088 0.000 2.962 227 T HA -0.079 4.288 4.350 0.029 0.000 0.270 227 T C 1.759 176.616 174.700 0.261 0.000 1.088 227 T CA 0.691 62.809 62.100 0.031 0.000 1.127 227 T CB -0.074 68.724 68.868 -0.116 0.000 0.883 227 T HN 0.073 nan 8.240 nan 0.000 0.493 228 L N 1.159 122.499 121.223 0.196 0.000 2.376 228 L HA 0.350 4.707 4.340 0.029 0.000 0.219 228 L C 1.532 178.548 176.870 0.244 0.000 1.133 228 L CA 0.862 55.859 54.840 0.261 0.000 0.816 228 L CB -1.146 41.025 42.059 0.186 0.000 0.933 228 L HN 0.413 nan 8.230 nan 0.000 0.449 229 R N -0.956 119.669 120.500 0.207 0.000 3.422 229 R HA -0.156 4.202 4.340 0.029 0.000 0.267 229 R C 0.399 176.757 176.300 0.097 0.000 1.074 229 R CA 0.443 56.639 56.100 0.159 0.000 0.718 229 R CB -1.696 28.736 30.300 0.220 0.000 1.157 229 R HN 0.559 nan 8.270 nan 0.000 0.440 230 G N 0.152 109.007 108.800 0.091 0.000 2.753 230 G HA2 0.689 4.667 3.960 0.029 0.000 0.285 230 G HA3 0.689 4.667 3.960 0.029 0.000 0.285 230 G C -2.590 172.340 174.900 0.049 0.000 1.344 230 G CA -1.011 44.114 45.100 0.042 0.000 1.050 230 G HN 0.129 nan 8.290 nan 0.000 0.532 231 P HA 0.150 nan 4.420 nan 0.000 0.272 231 P C -0.549 176.772 177.300 0.034 0.000 1.240 231 P CA -0.447 62.644 63.100 -0.014 0.000 0.791 231 P CB 1.032 32.691 31.700 -0.069 0.000 0.978 232 R N 0.482 120.944 120.500 -0.062 0.000 2.370 232 R HA 0.500 4.857 4.340 0.029 0.000 0.309 232 R C 0.276 176.571 176.300 -0.009 0.000 1.059 232 R CA 0.497 56.479 56.100 -0.196 0.000 0.981 232 R CB -0.549 29.503 30.300 -0.413 0.000 0.972 232 R HN 0.845 nan 8.270 nan 0.000 0.437 233 G N 1.441 110.382 108.800 0.235 0.000 2.321 233 G HA2 0.400 4.377 3.960 0.029 0.000 0.296 233 G HA3 0.400 4.377 3.960 0.029 0.000 0.296 233 G C -1.305 173.697 174.900 0.169 0.000 1.287 233 G CA -0.415 44.775 45.100 0.149 0.000 0.846 233 G HN 0.806 nan 8.290 nan 0.000 0.508 234 G N -1.436 107.420 108.800 0.093 0.000 2.816 234 G HA2 0.847 4.825 3.960 0.029 0.000 0.288 234 G HA3 0.847 4.825 3.960 0.029 0.000 0.288 234 G C -0.867 174.062 174.900 0.047 0.000 1.334 234 G CA -0.277 44.853 45.100 0.049 0.000 0.978 234 G HN 1.290 nan 8.290 nan 0.000 0.493 235 M N -0.362 119.246 119.600 0.014 0.000 2.490 235 M HA 0.614 5.111 4.480 0.029 0.000 0.286 235 M C -2.174 174.105 176.300 -0.034 0.000 1.185 235 M CA -0.624 54.684 55.300 0.014 0.000 0.912 235 M CB 2.151 34.777 32.600 0.043 0.000 1.744 235 M HN 0.404 nan 8.290 nan 0.000 0.494 236 I N 4.440 125.000 120.570 -0.016 0.000 2.465 236 I HA 0.508 4.695 4.170 0.029 0.000 0.291 236 I C -1.262 174.847 176.117 -0.012 0.000 1.014 236 I CA -0.728 60.568 61.300 -0.006 0.000 1.093 236 I CB 2.030 40.058 38.000 0.046 0.000 1.267 236 I HN 0.596 nan 8.210 nan 0.000 0.431 237 L N 6.064 127.273 121.223 -0.023 0.000 2.346 237 L HA 0.810 5.167 4.340 0.029 0.000 0.274 237 L C -0.548 176.368 176.870 0.077 0.000 1.007 237 L CA -0.628 54.201 54.840 -0.019 0.000 0.818 237 L CB 1.884 43.875 42.059 -0.114 0.000 1.284 237 L HN 0.811 nan 8.230 nan 0.000 0.424 238 C N -0.258 119.118 119.300 0.127 0.000 3.306 238 C HA 0.451 4.928 4.460 0.029 0.000 0.335 238 C C -0.843 174.234 174.990 0.144 0.000 1.382 238 C CA -1.052 58.055 59.018 0.150 0.000 1.254 238 C CB 1.815 29.729 27.740 0.289 0.000 1.555 238 C HN 0.853 nan 8.230 nan 0.000 0.463 239 Q N 0.943 120.823 119.800 0.134 0.000 2.443 239 Q HA 0.225 4.583 4.340 0.029 0.000 0.232 239 Q C 0.695 176.701 176.000 0.009 0.000 1.026 239 Q CA -0.041 55.792 55.803 0.050 0.000 0.924 239 Q CB 0.855 29.579 28.738 -0.023 0.000 1.256 239 Q HN 0.856 nan 8.270 nan 0.000 0.519 240 E N 1.435 121.609 120.200 -0.044 0.000 2.130 240 E HA -0.265 4.102 4.350 0.029 0.000 0.196 240 E C 1.948 178.440 176.600 -0.179 0.000 0.998 240 E CA 2.238 58.584 56.400 -0.090 0.000 0.806 240 E CB -0.077 29.582 29.700 -0.068 0.000 0.738 240 E HN 0.747 nan 8.360 nan 0.000 0.459 241 Q N -1.218 118.408 119.800 -0.289 0.000 2.291 241 Q HA -0.149 4.209 4.340 0.029 0.000 0.206 241 Q C 1.070 176.768 176.000 -0.503 0.000 0.976 241 Q CA 1.440 56.981 55.803 -0.436 0.000 0.875 241 Q CB -0.329 28.055 28.738 -0.590 0.000 0.927 241 Q HN 0.338 nan 8.270 nan 0.000 0.450 242 F N -0.059 119.879 119.950 -0.020 0.000 2.695 242 F HA 0.487 5.031 4.527 0.029 0.000 0.303 242 F C 2.107 177.901 175.800 -0.010 0.000 1.091 242 F CA -0.173 57.852 58.000 0.041 0.000 1.300 242 F CB -0.047 39.047 39.000 0.158 0.000 1.071 242 F HN 0.133 nan 8.300 nan 0.000 0.578 243 A N 0.930 123.714 122.820 -0.059 0.000 1.873 243 A HA -0.296 4.041 4.320 0.029 0.000 0.218 243 A C 2.339 179.744 177.584 -0.299 0.000 1.193 243 A CA 2.293 54.079 52.037 -0.418 0.000 0.629 243 A CB -0.679 17.829 19.000 -0.820 0.000 0.826 243 A HN 0.352 nan 8.150 nan 0.000 0.447 244 K N -0.636 119.659 120.400 -0.175 0.000 2.057 244 K HA -0.202 4.136 4.320 0.029 0.000 0.207 244 K C 2.256 178.855 176.600 -0.002 0.000 1.049 244 K CA 1.703 57.935 56.287 -0.092 0.000 0.931 244 K CB -0.217 32.251 32.500 -0.054 0.000 0.714 244 K HN 0.648 nan 8.250 nan 0.000 0.440 245 Q N 0.184 120.016 119.800 0.055 0.000 2.084 245 Q HA -0.123 4.234 4.340 0.029 0.000 0.202 245 Q C 2.066 178.135 176.000 0.115 0.000 0.978 245 Q CA 1.217 57.079 55.803 0.098 0.000 0.844 245 Q CB -0.006 28.818 28.738 0.144 0.000 0.898 245 Q HN 0.305 nan 8.270 nan 0.000 0.426 246 I N 1.248 121.904 120.570 0.144 0.000 2.252 246 I HA -0.223 3.964 4.170 0.029 0.000 0.245 246 I C 1.456 177.662 176.117 0.148 0.000 1.102 246 I CA 1.350 62.743 61.300 0.156 0.000 1.385 246 I CB -0.867 37.275 38.000 0.236 0.000 1.064 246 I HN 0.213 nan 8.210 nan 0.000 0.414 247 D N 0.983 121.434 120.400 0.085 0.000 2.117 247 D HA -0.160 4.497 4.640 0.029 0.000 0.197 247 D C 2.183 178.622 176.300 0.232 0.000 0.987 247 D CA 1.165 55.173 54.000 0.014 0.000 0.829 247 D CB -0.064 40.486 40.800 -0.415 0.000 0.961 247 D HN 0.321 nan 8.370 nan 0.000 0.460 248 K N 0.410 120.913 120.400 0.173 0.000 2.217 248 K HA 0.083 4.421 4.320 0.029 0.000 0.202 248 K C 2.032 178.755 176.600 0.204 0.000 1.051 248 K CA 0.766 57.172 56.287 0.199 0.000 0.952 248 K CB 0.098 32.677 32.500 0.132 0.000 0.736 248 K HN 0.004 nan 8.250 nan 0.000 0.453 249 A N 1.520 124.470 122.820 0.217 0.000 1.898 249 A HA -0.134 4.203 4.320 0.029 0.000 0.216 249 A C 2.033 179.716 177.584 0.165 0.000 1.181 249 A CA 1.106 53.318 52.037 0.291 0.000 0.620 249 A CB -0.327 18.833 19.000 0.267 0.000 0.819 249 A HN 0.078 nan 8.150 nan 0.000 0.442 250 I N -2.676 118.004 120.570 0.184 0.000 2.202 250 I HA 0.010 4.198 4.170 0.029 0.000 0.242 250 I C 0.433 176.686 176.117 0.226 0.000 1.091 250 I CA 1.348 62.746 61.300 0.164 0.000 1.368 250 I CB -0.521 37.614 38.000 0.226 0.000 1.058 250 I HN 0.346 nan 8.210 nan 0.000 0.410 251 F N 2.893 122.949 119.950 0.177 0.000 3.051 251 F HA 0.389 4.935 4.527 0.032 0.000 0.363 251 F C -2.423 173.486 175.800 0.181 0.000 1.257 251 F CA -1.428 56.652 58.000 0.133 0.000 1.126 251 F CB 1.809 40.848 39.000 0.066 0.000 1.476 251 F HN -0.212 nan 8.300 nan 0.000 0.576 252 P HA 0.243 nan 4.420 nan 0.000 0.282 252 P C 0.978 178.016 177.300 -0.437 0.000 1.373 252 P CA 0.296 62.710 63.100 -1.145 0.000 1.001 252 P CB 1.061 32.172 31.700 -0.981 0.000 1.489 253 G N 2.510 111.209 108.800 -0.168 0.000 2.575 253 G HA2 -0.183 3.794 3.960 0.029 0.000 0.215 253 G HA3 -0.183 3.794 3.960 0.029 0.000 0.215 253 G C 1.286 175.955 174.900 -0.385 0.000 1.262 253 G CA 1.185 46.214 45.100 -0.119 0.000 0.807 253 G HN 0.393 nan 8.290 nan 0.000 0.567 254 I N -3.282 117.094 120.570 -0.324 0.000 4.288 254 I HA 0.434 4.621 4.170 0.029 0.000 0.331 254 I C 0.792 176.827 176.117 -0.138 0.000 1.322 254 I CA -0.169 60.929 61.300 -0.337 0.000 1.149 254 I CB 0.492 38.250 38.000 -0.404 0.000 1.112 254 I HN 0.087 nan 8.210 nan 0.000 0.403 255 Q N 0.834 120.619 119.800 -0.025 0.000 2.814 255 Q HA 0.683 5.040 4.340 0.029 0.000 0.283 255 Q C -0.015 176.146 176.000 0.269 0.000 1.071 255 Q CA -0.427 55.422 55.803 0.077 0.000 0.849 255 Q CB 2.147 30.847 28.738 -0.064 0.000 1.437 255 Q HN 0.274 nan 8.270 nan 0.000 0.492 256 G N -0.644 108.344 108.800 0.315 0.000 3.267 256 G HA2 0.477 4.454 3.960 0.029 0.000 0.200 256 G HA3 0.477 4.454 3.960 0.029 0.000 0.200 256 G C -0.415 174.609 174.900 0.207 0.000 1.603 256 G CA -0.102 45.248 45.100 0.416 0.000 0.753 256 G HN 0.573 nan 8.290 nan 0.000 0.755 257 G N 1.733 110.673 108.800 0.234 0.000 2.406 257 G HA2 0.516 4.493 3.960 0.029 0.000 0.251 257 G HA3 0.516 4.493 3.960 0.029 0.000 0.251 257 G C -2.139 172.760 174.900 -0.001 0.000 1.271 257 G CA -0.420 44.699 45.100 0.031 0.000 0.859 257 G HN 0.386 nan 8.290 nan 0.000 0.540 258 P HA 0.210 nan 4.420 nan 0.000 0.276 258 P C -0.159 177.138 177.300 -0.005 0.000 1.252 258 P CA -0.544 62.555 63.100 -0.003 0.000 0.802 258 P CB 1.320 32.961 31.700 -0.098 0.000 1.035 259 L N 2.355 123.593 121.223 0.025 0.000 2.375 259 L HA 0.143 4.500 4.340 0.029 0.000 0.276 259 L C 1.809 178.596 176.870 -0.139 0.000 1.162 259 L CA -0.501 54.282 54.840 -0.095 0.000 0.991 259 L CB -0.139 41.765 42.059 -0.258 0.000 1.315 259 L HN 0.227 nan 8.230 nan 0.000 0.431 260 M N 0.691 120.296 119.600 0.008 0.000 2.213 260 M HA -0.166 4.332 4.480 0.029 0.000 0.263 260 M C 2.178 178.490 176.300 0.021 0.000 1.062 260 M CA 1.781 57.084 55.300 0.004 0.000 1.105 260 M CB -1.176 31.429 32.600 0.008 0.000 1.385 260 M HN 0.679 nan 8.290 nan 0.000 0.417 261 H N -1.537 117.491 119.070 -0.069 0.000 2.357 261 H HA 0.008 4.569 4.556 0.009 0.000 0.301 261 H C 1.955 177.246 175.328 -0.062 0.000 1.082 261 H CA 1.166 57.176 56.048 -0.063 0.000 1.342 261 H CB -0.843 28.881 29.762 -0.064 0.000 1.389 261 H HN 0.137 nan 8.280 nan 0.000 0.511 262 V N 1.198 120.798 119.914 -0.523 0.000 2.427 262 V HA -0.180 3.958 4.120 0.029 0.000 0.248 262 V C 2.506 178.479 176.094 -0.203 0.000 1.051 262 V CA 1.609 63.705 62.300 -0.339 0.000 1.048 262 V CB -0.465 31.137 31.823 -0.368 0.000 0.666 262 V HN 0.409 nan 8.190 nan 0.000 0.456 263 I N 0.623 121.093 120.570 -0.167 0.000 2.286 263 I HA -0.228 3.960 4.170 0.029 0.000 0.248 263 I C 2.658 178.697 176.117 -0.130 0.000 1.115 263 I CA 1.371 62.598 61.300 -0.121 0.000 1.392 263 I CB -0.514 37.445 38.000 -0.067 0.000 1.065 263 I HN 0.286 nan 8.210 nan 0.000 0.418 264 A N 0.755 123.518 122.820 -0.095 0.000 1.902 264 A HA -0.189 4.148 4.320 0.029 0.000 0.217 264 A C 2.537 180.046 177.584 -0.125 0.000 1.181 264 A CA 1.902 53.891 52.037 -0.080 0.000 0.623 264 A CB -0.827 18.153 19.000 -0.034 0.000 0.818 264 A HN 0.429 nan 8.150 nan 0.000 0.443 265 A N -0.378 122.362 122.820 -0.133 0.000 1.969 265 A HA -0.133 4.204 4.320 0.029 0.000 0.218 265 A C 2.084 179.515 177.584 -0.256 0.000 1.169 265 A CA 1.761 53.709 52.037 -0.149 0.000 0.635 265 A CB -0.380 18.552 19.000 -0.113 0.000 0.810 265 A HN 0.564 nan 8.150 nan 0.000 0.445 266 K N -0.221 119.966 120.400 -0.355 0.000 2.026 266 K HA -0.063 4.274 4.320 0.029 0.000 0.208 266 K C 2.348 178.300 176.600 -1.080 0.000 1.048 266 K CA 1.147 56.999 56.287 -0.725 0.000 0.929 266 K CB -0.356 31.759 32.500 -0.642 0.000 0.713 266 K HN 0.425 nan 8.250 nan 0.000 0.439 267 A N 1.105 123.584 122.820 -0.569 0.000 1.908 267 A HA -0.158 4.180 4.320 0.029 0.000 0.218 267 A C 2.394 179.844 177.584 -0.223 0.000 1.181 267 A CA 1.663 53.510 52.037 -0.316 0.000 0.627 267 A CB -0.805 18.127 19.000 -0.114 0.000 0.818 267 A HN 0.084 nan 8.150 nan 0.000 0.445 268 V N -0.209 119.585 119.914 -0.199 0.000 2.295 268 V HA -0.268 3.869 4.120 0.029 0.000 0.246 268 V C 3.060 179.082 176.094 -0.120 0.000 1.049 268 V CA 2.061 64.289 62.300 -0.120 0.000 1.024 268 V CB -1.284 30.483 31.823 -0.093 0.000 0.648 268 V HN 0.631 nan 8.190 nan 0.000 0.447 269 A N -0.637 122.067 122.820 -0.193 0.000 1.933 269 A HA -0.157 4.180 4.320 0.029 0.000 0.218 269 A C 2.125 179.698 177.584 -0.018 0.000 1.175 269 A CA 1.704 53.668 52.037 -0.122 0.000 0.628 269 A CB -0.713 18.210 19.000 -0.128 0.000 0.814 269 A HN 0.560 nan 8.150 nan 0.000 0.444 270 F N -0.120 119.769 119.950 -0.102 0.000 2.186 270 F HA -0.067 4.484 4.527 0.041 0.000 0.299 270 F C 2.687 178.400 175.800 -0.146 0.000 1.090 270 F CA 0.224 58.145 58.000 -0.131 0.000 1.307 270 F CB -0.451 38.509 39.000 -0.067 0.000 1.019 270 F HN 0.369 nan 8.300 nan 0.000 0.489 271 G N 0.303 109.143 108.800 0.067 0.000 2.418 271 G HA2 -0.219 3.758 3.960 0.029 0.000 0.217 271 G HA3 -0.219 3.758 3.960 0.029 0.000 0.217 271 G C 1.370 176.257 174.900 -0.022 0.000 1.158 271 G CA 0.717 45.825 45.100 0.013 0.000 0.771 271 G HN 0.332 nan 8.290 nan 0.000 0.545 272 E N 0.523 120.698 120.200 -0.042 0.000 2.077 272 E HA -0.039 4.329 4.350 0.029 0.000 0.193 272 E C 2.862 179.384 176.600 -0.130 0.000 0.989 272 E CA 0.803 57.176 56.400 -0.045 0.000 0.800 272 E CB -0.177 29.505 29.700 -0.030 0.000 0.746 272 E HN 0.418 nan 8.360 nan 0.000 0.452 273 A N 0.860 123.460 122.820 -0.367 0.000 2.015 273 A HA -0.084 4.253 4.320 0.029 0.000 0.219 273 A C 2.057 179.469 177.584 -0.286 0.000 1.163 273 A CA 0.752 52.314 52.037 -0.792 0.000 0.646 273 A CB -0.369 18.081 19.000 -0.918 0.000 0.806 273 A HN 0.137 nan 8.150 nan 0.000 0.448 274 L N -0.295 120.840 121.223 -0.146 0.000 2.478 274 L HA -0.043 4.315 4.340 0.029 0.000 0.223 274 L C 0.804 177.675 176.870 0.001 0.000 1.140 274 L CA 0.136 54.934 54.840 -0.070 0.000 0.842 274 L CB -0.204 41.822 42.059 -0.054 0.000 0.953 274 L HN 0.408 nan 8.230 nan 0.000 0.452 275 Q N 0.008 119.831 119.800 0.038 0.000 2.306 275 Q HA 0.007 4.364 4.340 0.029 0.000 0.241 275 Q C 0.360 176.433 176.000 0.120 0.000 0.948 275 Q CA -0.174 55.674 55.803 0.074 0.000 0.886 275 Q CB 1.098 29.883 28.738 0.079 0.000 1.227 275 Q HN 0.069 nan 8.270 nan 0.000 0.457 276 D N 1.251 121.706 120.400 0.092 0.000 2.144 276 D HA -0.175 4.483 4.640 0.029 0.000 0.199 276 D C 1.271 177.642 176.300 0.117 0.000 0.984 276 D CA 1.491 55.547 54.000 0.093 0.000 0.834 276 D CB 0.006 40.843 40.800 0.063 0.000 0.955 276 D HN 0.616 nan 8.370 nan 0.000 0.465 277 D N 0.032 120.505 120.400 0.122 0.000 2.219 277 D HA -0.193 4.465 4.640 0.029 0.000 0.205 277 D C 1.968 178.378 176.300 0.182 0.000 0.970 277 D CA 0.354 54.430 54.000 0.125 0.000 0.851 277 D CB -1.013 39.849 40.800 0.103 0.000 0.943 277 D HN 0.270 nan 8.370 nan 0.000 0.488 278 F N 1.189 121.197 119.950 0.096 0.000 2.186 278 F HA -0.016 4.527 4.527 0.028 0.000 0.299 278 F C 1.940 177.845 175.800 0.176 0.000 1.090 278 F CA 1.077 59.170 58.000 0.155 0.000 1.307 278 F CB 0.090 39.154 39.000 0.106 0.000 1.019 278 F HN -0.234 nan 8.300 nan 0.000 0.489 279 K N 0.672 121.201 120.400 0.215 0.000 2.097 279 K HA -0.055 4.282 4.320 0.029 0.000 0.206 279 K C 2.260 178.858 176.600 -0.004 0.000 1.049 279 K CA 1.319 57.663 56.287 0.094 0.000 0.933 279 K CB -0.942 31.623 32.500 0.108 0.000 0.717 279 K HN 0.313 nan 8.250 nan 0.000 0.442 280 A N 0.027 122.864 122.820 0.029 0.000 1.898 280 A HA -0.192 4.145 4.320 0.029 0.000 0.216 280 A C 2.149 179.721 177.584 -0.019 0.000 1.181 280 A CA 1.481 53.526 52.037 0.013 0.000 0.620 280 A CB -0.861 18.167 19.000 0.046 0.000 0.819 280 A HN 0.430 nan 8.150 nan 0.000 0.442 281 Y N 0.911 121.125 120.300 -0.143 0.000 2.097 281 Y HA -0.172 4.398 4.550 0.034 0.000 0.282 281 Y C 2.590 178.341 175.900 -0.249 0.000 1.152 281 Y CA 1.544 59.526 58.100 -0.198 0.000 1.136 281 Y CB -0.837 37.453 38.460 -0.284 0.000 0.975 281 Y HN 0.286 nan 8.280 nan 0.000 0.498 282 A N 0.603 123.020 122.820 -0.672 0.000 1.908 282 A HA -0.253 4.084 4.320 0.029 0.000 0.218 282 A C 2.370 179.739 177.584 -0.358 0.000 1.181 282 A CA 2.078 53.727 52.037 -0.647 0.000 0.627 282 A CB -0.897 17.857 19.000 -0.410 0.000 0.818 282 A HN 0.586 nan 8.150 nan 0.000 0.445 283 K N -0.470 119.803 120.400 -0.212 0.000 2.057 283 K HA -0.150 4.188 4.320 0.029 0.000 0.207 283 K C 2.258 178.785 176.600 -0.122 0.000 1.049 283 K CA 1.380 57.597 56.287 -0.115 0.000 0.931 283 K CB -0.172 32.293 32.500 -0.058 0.000 0.714 283 K HN 0.454 nan 8.250 nan 0.000 0.440 284 R N 0.124 120.532 120.500 -0.152 0.000 2.120 284 R HA -0.085 4.272 4.340 0.029 0.000 0.234 284 R C 2.264 178.477 176.300 -0.145 0.000 1.123 284 R CA 1.156 57.191 56.100 -0.109 0.000 0.975 284 R CB -0.268 29.999 30.300 -0.055 0.000 0.866 284 R HN 0.070 nan 8.270 nan 0.000 0.446 285 V N 0.528 120.266 119.914 -0.294 0.000 2.261 285 V HA -0.228 3.909 4.120 0.029 0.000 0.246 285 V C 2.345 178.383 176.094 -0.093 0.000 1.047 285 V CA 1.734 63.891 62.300 -0.239 0.000 1.015 285 V CB -0.320 31.266 31.823 -0.394 0.000 0.642 285 V HN 0.112 nan 8.190 nan 0.000 0.446 286 V N -0.017 119.847 119.914 -0.083 0.000 2.358 286 V HA -0.217 3.920 4.120 0.029 0.000 0.246 286 V C 2.263 178.347 176.094 -0.018 0.000 1.047 286 V CA 2.027 64.315 62.300 -0.021 0.000 1.035 286 V CB -0.705 31.115 31.823 -0.006 0.000 0.658 286 V HN 0.538 nan 8.190 nan 0.000 0.452 287 D N 0.333 120.715 120.400 -0.029 0.000 2.117 287 D HA -0.142 4.516 4.640 0.029 0.000 0.197 287 D C 2.077 178.375 176.300 -0.003 0.000 0.987 287 D CA 1.155 55.146 54.000 -0.014 0.000 0.829 287 D CB -0.376 40.415 40.800 -0.015 0.000 0.961 287 D HN 0.339 nan 8.370 nan 0.000 0.460 288 N N 0.435 119.134 118.700 -0.002 0.000 2.166 288 N HA -0.079 4.679 4.740 0.029 0.000 0.186 288 N C 1.664 177.185 175.510 0.018 0.000 1.019 288 N CA 1.192 54.253 53.050 0.019 0.000 0.856 288 N CB -0.326 38.181 38.487 0.034 0.000 0.993 288 N HN 0.127 nan 8.380 nan 0.000 0.426 289 A N 0.825 123.649 122.820 0.007 0.000 1.898 289 A HA -0.099 4.238 4.320 0.029 0.000 0.216 289 A C 2.212 179.794 177.584 -0.003 0.000 1.181 289 A CA 1.425 53.462 52.037 -0.000 0.000 0.620 289 A CB -0.329 18.669 19.000 -0.004 0.000 0.819 289 A HN 0.130 nan 8.150 nan 0.000 0.442 290 K N -0.574 119.826 120.400 -0.001 0.000 2.057 290 K HA -0.112 4.226 4.320 0.029 0.000 0.207 290 K C 2.248 178.851 176.600 0.006 0.000 1.049 290 K CA 1.601 57.887 56.287 -0.000 0.000 0.931 290 K CB -0.175 32.325 32.500 -0.000 0.000 0.714 290 K HN 0.377 nan 8.250 nan 0.000 0.440 291 R N 0.579 121.085 120.500 0.010 0.000 2.073 291 R HA -0.077 4.281 4.340 0.029 0.000 0.234 291 R C 1.984 178.296 176.300 0.021 0.000 1.134 291 R CA 1.237 57.347 56.100 0.016 0.000 0.952 291 R CB -0.840 29.471 30.300 0.018 0.000 0.850 291 R HN 0.171 nan 8.270 nan 0.000 0.433 292 L N 0.379 121.615 121.223 0.021 0.000 2.042 292 L HA -0.028 4.329 4.340 0.029 0.000 0.210 292 L C 2.111 178.992 176.870 0.018 0.000 1.076 292 L CA 2.266 57.119 54.840 0.023 0.000 0.749 292 L CB -1.091 40.980 42.059 0.019 0.000 0.893 292 L HN 0.304 nan 8.230 nan 0.000 0.432 293 A N -1.641 121.185 122.820 0.009 0.000 1.865 293 A HA -0.254 4.083 4.320 0.029 0.000 0.217 293 A C 2.538 180.141 177.584 0.032 0.000 1.191 293 A CA 2.131 54.175 52.037 0.011 0.000 0.623 293 A CB -1.292 17.708 19.000 -0.000 0.000 0.826 293 A HN 0.526 nan 8.150 nan 0.000 0.444 294 S N -0.566 115.150 115.700 0.027 0.000 2.368 294 S HA -0.061 4.427 4.470 0.029 0.000 0.225 294 S C 2.163 176.790 174.600 0.044 0.000 1.030 294 S CA 1.638 59.857 58.200 0.031 0.000 0.999 294 S CB -0.489 62.724 63.200 0.021 0.000 0.844 294 S HN 0.834 nan 8.310 nan 0.000 0.459 295 A N 1.032 123.880 122.820 0.046 0.000 1.930 295 A HA 0.086 4.423 4.320 0.029 0.000 0.217 295 A C 2.184 179.827 177.584 0.099 0.000 1.175 295 A CA 1.246 53.318 52.037 0.057 0.000 0.627 295 A CB -0.666 18.362 19.000 0.048 0.000 0.815 295 A HN 0.571 nan 8.150 nan 0.000 0.443 296 L N -0.999 120.295 121.223 0.118 0.000 2.093 296 L HA -0.217 4.140 4.340 0.029 0.000 0.208 296 L C 2.841 179.880 176.870 0.281 0.000 1.085 296 L CA 1.350 56.334 54.840 0.239 0.000 0.755 296 L CB -0.472 41.660 42.059 0.123 0.000 0.904 296 L HN 0.465 nan 8.230 nan 0.000 0.435 297 Q N -0.454 119.438 119.800 0.153 0.000 2.124 297 Q HA -0.222 4.135 4.340 0.029 0.000 0.202 297 Q C 2.003 178.039 176.000 0.060 0.000 0.977 297 Q CA 1.412 57.279 55.803 0.106 0.000 0.850 297 Q CB -0.262 28.516 28.738 0.066 0.000 0.901 297 Q HN 0.501 nan 8.270 nan 0.000 0.429 298 N N 0.469 119.202 118.700 0.056 0.000 2.223 298 N HA -0.177 4.580 4.740 0.029 0.000 0.185 298 N C 1.145 176.658 175.510 0.006 0.000 1.016 298 N CA 0.808 53.874 53.050 0.027 0.000 0.863 298 N CB 0.250 38.755 38.487 0.030 0.000 0.983 298 N HN 0.205 nan 8.380 nan 0.000 0.429 299 E N -0.295 119.920 120.200 0.026 0.000 2.427 299 E HA -0.002 4.365 4.350 0.029 0.000 0.196 299 E C 1.094 177.535 176.600 -0.265 0.000 1.028 299 E CA 0.689 57.053 56.400 -0.061 0.000 0.864 299 E CB 0.007 29.751 29.700 0.074 0.000 0.813 299 E HN 0.597 nan 8.360 nan 0.000 0.514 300 G N 0.708 109.384 108.800 -0.207 0.000 2.168 300 G HA2 -0.218 3.759 3.960 0.029 0.000 0.197 300 G HA3 -0.218 3.759 3.960 0.029 0.000 0.197 300 G C -0.079 174.655 174.900 -0.278 0.000 0.997 300 G CA -0.390 44.561 45.100 -0.248 0.000 0.658 300 G HN 0.112 nan 8.290 nan 0.000 0.513 301 F N 1.717 121.671 119.950 0.006 0.000 2.389 301 F HA 0.591 5.136 4.527 0.030 0.000 0.337 301 F C 1.162 176.968 175.800 0.010 0.000 1.112 301 F CA -0.013 57.992 58.000 0.007 0.000 1.192 301 F CB 1.335 40.339 39.000 0.006 0.000 1.185 301 F HN -0.084 nan 8.300 nan 0.000 0.552 302 T N 4.603 119.289 114.554 0.221 0.000 2.806 302 T HA 0.526 4.893 4.350 0.029 0.000 0.290 302 T C -0.160 174.613 174.700 0.121 0.000 0.966 302 T CA -0.499 61.682 62.100 0.135 0.000 1.060 302 T CB 0.345 69.275 68.868 0.105 0.000 0.927 302 T HN 0.265 nan 8.240 nan 0.000 0.485 303 L N 3.113 124.392 121.223 0.093 0.000 2.317 303 L HA 0.499 4.857 4.340 0.029 0.000 0.281 303 L C 0.140 177.056 176.870 0.075 0.000 1.024 303 L CA -1.285 53.590 54.840 0.058 0.000 0.810 303 L CB 1.598 43.681 42.059 0.040 0.000 1.240 303 L HN 0.320 nan 8.230 nan 0.000 0.427 304 V N 2.773 122.704 119.914 0.028 0.000 2.599 304 V HA -0.047 4.091 4.120 0.029 0.000 0.300 304 V C 1.111 177.296 176.094 0.151 0.000 1.034 304 V CA 1.253 63.577 62.300 0.040 0.000 1.115 304 V CB 1.002 32.732 31.823 -0.153 0.000 0.934 304 V HN 1.174 nan 8.190 nan 0.000 0.485 305 S N 2.474 118.417 115.700 0.405 0.000 2.929 305 S HA -0.210 4.277 4.470 0.029 0.000 0.271 305 S C 1.328 175.973 174.600 0.075 0.000 1.295 305 S CA 1.180 59.493 58.200 0.189 0.000 1.277 305 S CB -1.933 61.312 63.200 0.075 0.000 1.557 305 S HN 2.829 nan 8.310 nan 0.000 0.666 306 G N -0.334 108.514 108.800 0.080 0.000 2.143 306 G HA2 0.336 4.313 3.960 0.029 0.000 0.249 306 G HA3 0.336 4.313 3.960 0.029 0.000 0.249 306 G C 0.947 175.859 174.900 0.021 0.000 0.981 306 G CA 0.584 45.708 45.100 0.041 0.000 0.665 306 G HN 2.655 nan 8.290 nan 0.000 0.528 307 G N -2.628 106.177 108.800 0.009 0.000 2.403 307 G HA2 0.657 4.634 3.960 0.029 0.000 0.223 307 G HA3 0.657 4.634 3.960 0.029 0.000 0.223 307 G C -0.499 174.380 174.900 -0.036 0.000 1.287 307 G CA 0.983 46.078 45.100 -0.009 0.000 0.982 307 G HN 2.001 nan 8.290 nan 0.000 0.471 308 T N -1.094 113.436 114.554 -0.041 0.000 2.885 308 T HA 0.563 4.930 4.350 0.029 0.000 0.322 308 T C -1.297 173.378 174.700 -0.043 0.000 1.387 308 T CA 0.203 62.265 62.100 -0.063 0.000 1.041 308 T CB 1.851 70.680 68.868 -0.066 0.000 1.287 308 T HN 0.333 nan 8.240 nan 0.000 0.491 309 D N 1.830 122.204 120.400 -0.043 0.000 2.433 309 D HA 0.206 4.864 4.640 0.029 0.000 0.211 309 D C 0.598 176.926 176.300 0.047 0.000 1.114 309 D CA 0.157 54.152 54.000 -0.009 0.000 0.837 309 D CB 0.532 41.320 40.800 -0.021 0.000 0.984 309 D HN 0.658 nan 8.370 nan 0.000 0.505 310 N N -0.694 118.038 118.700 0.055 0.000 3.614 310 N HA -0.023 4.734 4.740 0.029 0.000 0.341 310 N C 0.933 176.523 175.510 0.134 0.000 1.567 310 N CA -0.336 52.808 53.050 0.156 0.000 0.641 310 N CB -0.191 38.474 38.487 0.296 0.000 2.734 310 N HN -0.153 nan 8.380 nan 0.000 0.604 311 H N -0.857 118.232 119.070 0.031 0.000 2.553 311 H HA 0.345 4.919 4.556 0.030 0.000 0.265 311 H C 0.064 175.402 175.328 0.017 0.000 0.964 311 H CA -0.111 55.945 56.048 0.013 0.000 1.156 311 H CB -0.370 29.410 29.762 0.030 0.000 1.411 311 H HN 0.513 nan 8.280 nan 0.000 0.558 312 L N -0.053 120.854 121.223 -0.525 0.000 2.333 312 L HA 0.694 5.051 4.340 0.029 0.000 0.263 312 L C -1.145 175.587 176.870 -0.230 0.000 1.014 312 L CA -1.630 52.956 54.840 -0.424 0.000 0.820 312 L CB 2.228 43.917 42.059 -0.617 0.000 1.352 312 L HN 0.026 nan 8.230 nan 0.000 0.421 313 L N -0.130 120.993 121.223 -0.166 0.000 2.415 313 L HA 0.794 5.151 4.340 0.029 0.000 0.256 313 L C -1.614 175.191 176.870 -0.108 0.000 1.010 313 L CA -0.790 53.980 54.840 -0.118 0.000 0.826 313 L CB 2.021 44.029 42.059 -0.085 0.000 1.405 313 L HN 0.687 nan 8.230 nan 0.000 0.410 314 L N 2.170 123.338 121.223 -0.092 0.000 2.349 314 L HA 0.669 5.027 4.340 0.029 0.000 0.278 314 L C -0.885 175.941 176.870 -0.073 0.000 0.996 314 L CA -0.956 53.832 54.840 -0.086 0.000 0.825 314 L CB 2.178 44.185 42.059 -0.088 0.000 1.243 314 L HN 0.533 nan 8.230 nan 0.000 0.412 315 V N 2.086 121.949 119.914 -0.084 0.000 2.432 315 V HA 0.134 4.272 4.120 0.029 0.000 0.275 315 V C -0.097 175.977 176.094 -0.032 0.000 1.043 315 V CA -0.494 61.764 62.300 -0.069 0.000 0.925 315 V CB 1.522 33.246 31.823 -0.167 0.000 0.985 315 V HN 0.606 nan 8.190 nan 0.000 0.466 316 D N 4.616 125.023 120.400 0.011 0.000 2.380 316 D HA 0.221 4.878 4.640 0.029 0.000 0.230 316 D C 0.582 176.922 176.300 0.067 0.000 1.154 316 D CA -0.098 53.914 54.000 0.021 0.000 0.859 316 D CB 1.115 41.934 40.800 0.031 0.000 1.045 316 D HN 0.451 nan 8.370 nan 0.000 0.495 317 L N 3.605 124.862 121.223 0.056 0.000 2.591 317 L HA 0.179 4.537 4.340 0.029 0.000 0.228 317 L C 2.300 179.218 176.870 0.079 0.000 1.133 317 L CA -0.130 54.765 54.840 0.092 0.000 0.880 317 L CB -0.029 42.069 42.059 0.064 0.000 1.033 317 L HN 0.277 nan 8.230 nan 0.000 0.450 318 R N 0.637 121.173 120.500 0.061 0.000 2.103 318 R HA -0.173 4.184 4.340 0.029 0.000 0.242 318 R C -0.407 175.923 176.300 0.049 0.000 1.142 318 R CA 1.530 57.660 56.100 0.050 0.000 0.960 318 R CB -1.464 28.863 30.300 0.045 0.000 0.858 318 R HN 0.301 nan 8.270 nan 0.000 0.439 319 P HA -0.140 nan 4.420 nan 0.000 0.219 319 P C 0.573 177.890 177.300 0.028 0.000 1.146 319 P CA 1.304 64.426 63.100 0.037 0.000 0.808 319 P CB 0.141 31.863 31.700 0.037 0.000 0.779 320 Q N -1.436 118.396 119.800 0.052 0.000 2.319 320 Q HA 0.106 4.464 4.340 0.029 0.000 0.202 320 Q C 0.155 176.182 176.000 0.045 0.000 0.896 320 Q CA 0.153 55.984 55.803 0.047 0.000 0.942 320 Q CB -0.385 28.411 28.738 0.096 0.000 1.083 320 Q HN 0.051 nan 8.270 nan 0.000 0.510 321 Q N -0.359 119.467 119.800 0.042 0.000 2.468 321 Q HA -0.205 4.153 4.340 0.029 0.000 0.289 321 Q C -0.982 175.042 176.000 0.040 0.000 1.299 321 Q CA 0.817 56.642 55.803 0.036 0.000 0.838 321 Q CB -2.153 26.601 28.738 0.026 0.000 1.195 321 Q HN 0.393 nan 8.270 nan 0.000 0.456 322 L N -0.240 121.012 121.223 0.049 0.000 2.354 322 L HA 0.574 4.931 4.340 0.029 0.000 0.269 322 L C 0.979 177.873 176.870 0.039 0.000 1.005 322 L CA -0.744 54.124 54.840 0.047 0.000 0.819 322 L CB 1.944 44.039 42.059 0.060 0.000 1.311 322 L HN 0.134 nan 8.230 nan 0.000 0.423 323 T N -2.059 112.514 114.554 0.032 0.000 2.902 323 T HA 0.295 4.662 4.350 0.029 0.000 0.280 323 T C 1.183 175.894 174.700 0.019 0.000 0.992 323 T CA -0.085 62.031 62.100 0.026 0.000 1.015 323 T CB 1.635 70.520 68.868 0.028 0.000 1.044 323 T HN 0.694 nan 8.240 nan 0.000 0.520 324 G N -0.075 108.731 108.800 0.010 0.000 2.408 324 G HA2 -0.176 3.801 3.960 0.029 0.000 0.217 324 G HA3 -0.176 3.801 3.960 0.029 0.000 0.217 324 G C 1.364 176.267 174.900 0.004 0.000 1.150 324 G CA 0.811 45.910 45.100 -0.002 0.000 0.776 324 G HN 0.844 nan 8.290 nan 0.000 0.542 325 K N -0.114 120.295 120.400 0.015 0.000 2.032 325 K HA -0.113 4.225 4.320 0.029 0.000 0.209 325 K C 2.527 179.140 176.600 0.021 0.000 1.048 325 K CA 1.792 58.093 56.287 0.023 0.000 0.927 325 K CB -0.345 32.177 32.500 0.036 0.000 0.712 325 K HN 0.257 nan 8.250 nan 0.000 0.441 326 T N 0.665 115.232 114.554 0.023 0.000 2.708 326 T HA -0.110 4.257 4.350 0.029 0.000 0.266 326 T C 1.855 176.567 174.700 0.021 0.000 1.037 326 T CA 1.361 63.475 62.100 0.023 0.000 1.146 326 T CB -0.303 68.581 68.868 0.027 0.000 0.865 326 T HN 0.436 nan 8.240 nan 0.000 0.435 327 A N 1.339 124.170 122.820 0.018 0.000 1.902 327 A HA -0.140 4.198 4.320 0.029 0.000 0.217 327 A C 2.217 179.802 177.584 0.002 0.000 1.181 327 A CA 1.941 53.984 52.037 0.011 0.000 0.623 327 A CB -0.633 18.366 19.000 -0.001 0.000 0.818 327 A HN 0.641 nan 8.150 nan 0.000 0.443 328 E N 0.012 120.212 120.200 -0.000 0.000 2.077 328 E HA -0.266 4.102 4.350 0.029 0.000 0.193 328 E C 2.086 178.691 176.600 0.008 0.000 0.989 328 E CA 1.592 57.992 56.400 -0.001 0.000 0.800 328 E CB -0.180 29.520 29.700 0.000 0.000 0.746 328 E HN 0.629 nan 8.360 nan 0.000 0.452 329 K N 0.345 120.753 120.400 0.013 0.000 2.026 329 K HA -0.135 4.202 4.320 0.029 0.000 0.208 329 K C 2.171 178.780 176.600 0.016 0.000 1.048 329 K CA 1.425 57.721 56.287 0.016 0.000 0.929 329 K CB -0.231 32.280 32.500 0.018 0.000 0.713 329 K HN 0.143 nan 8.250 nan 0.000 0.439 330 V N 1.409 121.334 119.914 0.018 0.000 2.427 330 V HA -0.168 3.970 4.120 0.029 0.000 0.248 330 V C 2.073 178.179 176.094 0.019 0.000 1.051 330 V CA 1.379 63.691 62.300 0.021 0.000 1.048 330 V CB -0.168 31.671 31.823 0.026 0.000 0.666 330 V HN 0.337 nan 8.190 nan 0.000 0.456 331 L N 0.098 121.330 121.223 0.015 0.000 2.141 331 L HA -0.160 4.197 4.340 0.029 0.000 0.209 331 L C 2.321 179.200 176.870 0.014 0.000 1.094 331 L CA 2.122 56.969 54.840 0.012 0.000 0.763 331 L CB -0.638 41.421 42.059 -0.000 0.000 0.908 331 L HN 0.451 nan 8.230 nan 0.000 0.437 332 D N 0.156 120.564 120.400 0.014 0.000 2.178 332 D HA -0.216 4.441 4.640 0.029 0.000 0.201 332 D C 1.975 178.286 176.300 0.017 0.000 0.980 332 D CA 1.095 55.104 54.000 0.015 0.000 0.842 332 D CB 0.151 40.960 40.800 0.015 0.000 0.948 332 D HN 0.315 nan 8.370 nan 0.000 0.472 333 E N -0.491 119.719 120.200 0.018 0.000 2.204 333 E HA -0.116 4.252 4.350 0.029 0.000 0.195 333 E C 1.954 178.566 176.600 0.019 0.000 0.990 333 E CA 1.119 57.530 56.400 0.018 0.000 0.821 333 E CB 0.172 29.883 29.700 0.018 0.000 0.750 333 E HN 0.437 nan 8.360 nan 0.000 0.477 334 V N -3.574 116.353 119.914 0.021 0.000 3.621 334 V HA 0.456 4.593 4.120 0.029 0.000 0.285 334 V C 1.089 177.198 176.094 0.025 0.000 1.346 334 V CA 0.438 62.752 62.300 0.023 0.000 1.104 334 V CB 0.209 32.048 31.823 0.026 0.000 0.913 334 V HN 0.243 nan 8.190 nan 0.000 0.432 335 G N 0.818 109.633 108.800 0.024 0.000 2.144 335 G HA2 -0.179 3.798 3.960 0.029 0.000 0.218 335 G HA3 -0.179 3.798 3.960 0.029 0.000 0.218 335 G C -0.198 174.720 174.900 0.029 0.000 0.988 335 G CA 0.120 45.236 45.100 0.026 0.000 0.659 335 G HN 0.585 nan 8.290 nan 0.000 0.522 336 I N 2.030 122.616 120.570 0.026 0.000 2.362 336 I HA 0.374 4.561 4.170 0.029 0.000 0.289 336 I C 0.008 176.134 176.117 0.016 0.000 0.994 336 I CA -0.620 60.696 61.300 0.025 0.000 1.158 336 I CB 1.897 39.911 38.000 0.024 0.000 1.315 336 I HN 0.008 nan 8.210 nan 0.000 0.451 337 T N 6.479 121.041 114.554 0.015 0.000 2.733 337 T HA 0.501 4.868 4.350 0.029 0.000 0.294 337 T C 0.007 174.707 174.700 -0.000 0.000 0.956 337 T CA -0.527 61.578 62.100 0.009 0.000 0.987 337 T CB 1.006 69.882 68.868 0.014 0.000 0.920 337 T HN 0.448 nan 8.240 nan 0.000 0.470 338 V N 1.158 121.068 119.914 -0.006 0.000 3.156 338 V HA 0.797 4.935 4.120 0.029 0.000 0.311 338 V C -1.130 174.957 176.094 -0.011 0.000 1.208 338 V CA -1.383 60.907 62.300 -0.016 0.000 1.063 338 V CB 2.453 34.255 31.823 -0.034 0.000 1.098 338 V HN 0.876 nan 8.190 nan 0.000 0.452 339 N N 0.115 118.806 118.700 -0.016 0.000 2.240 339 N HA 0.384 5.141 4.740 0.029 0.000 0.302 339 N C -0.944 174.551 175.510 -0.025 0.000 1.106 339 N CA -0.847 52.195 53.050 -0.013 0.000 0.778 339 N CB 2.681 41.165 38.487 -0.004 0.000 1.431 339 N HN 0.980 nan 8.380 nan 0.000 0.479 340 K N 0.712 121.098 120.400 -0.023 0.000 2.319 340 K HA 0.175 4.512 4.320 0.029 0.000 0.265 340 K C -0.877 175.697 176.600 -0.043 0.000 1.000 340 K CA -0.244 56.025 56.287 -0.029 0.000 0.943 340 K CB 0.425 32.914 32.500 -0.018 0.000 0.950 340 K HN 0.737 nan 8.250 nan 0.000 0.485 341 N N 0.309 118.979 118.700 -0.050 0.000 2.521 341 N HA 0.053 4.811 4.740 0.029 0.000 0.269 341 N C -1.619 173.853 175.510 -0.063 0.000 1.079 341 N CA -0.522 52.490 53.050 -0.062 0.000 0.980 341 N CB 1.670 40.121 38.487 -0.059 0.000 1.667 341 N HN 0.816 nan 8.380 nan 0.000 0.498 342 T N 0.787 115.297 114.554 -0.073 0.000 2.903 342 T HA 0.338 4.706 4.350 0.029 0.000 0.314 342 T C 0.750 175.410 174.700 -0.068 0.000 1.078 342 T CA -0.344 61.718 62.100 -0.064 0.000 1.114 342 T CB 0.058 68.886 68.868 -0.068 0.000 0.987 342 T HN 0.433 nan 8.240 nan 0.000 0.548 343 I N -1.483 119.044 120.570 -0.073 0.000 2.863 343 I HA 0.669 4.856 4.170 0.029 0.000 0.311 343 I C -2.929 173.104 176.117 -0.139 0.000 1.026 343 I CA -3.800 57.429 61.300 -0.117 0.000 1.077 343 I CB 1.412 39.338 38.000 -0.124 0.000 1.262 343 I HN 0.322 nan 8.210 nan 0.000 0.461 344 P HA 0.053 nan 4.420 nan 0.000 0.265 344 P C -1.234 175.967 177.300 -0.166 0.000 1.193 344 P CA 0.679 63.524 63.100 -0.424 0.000 0.765 344 P CB -0.176 31.261 31.700 -0.439 0.000 0.823 345 Y N -0.897 119.349 120.300 -0.090 0.000 3.929 345 Y HA -0.264 4.303 4.550 0.029 0.000 0.225 345 Y C 0.810 176.718 175.900 0.014 0.000 1.200 345 Y CA 0.371 58.481 58.100 0.017 0.000 1.791 345 Y CB -2.290 36.175 38.460 0.009 0.000 1.561 345 Y HN 0.386 nan 8.280 nan 0.000 0.657 346 D N 1.949 122.379 120.400 0.050 0.000 2.425 346 D HA 0.046 4.704 4.640 0.029 0.000 0.247 346 D C -0.756 175.576 176.300 0.053 0.000 1.147 346 D CA -1.089 52.933 54.000 0.038 0.000 0.879 346 D CB 1.144 41.943 40.800 -0.001 0.000 1.179 346 D HN 0.158 nan 8.370 nan 0.000 0.456 347 P HA 0.014 nan 4.420 nan 0.000 0.231 347 P C -0.017 177.308 177.300 0.042 0.000 1.168 347 P CA 0.483 63.615 63.100 0.052 0.000 0.779 347 P CB 0.650 32.380 31.700 0.050 0.000 0.844 348 E N 0.542 120.763 120.200 0.035 0.000 2.250 348 E HA 0.247 4.615 4.350 0.029 0.000 0.269 348 E C 0.476 177.098 176.600 0.036 0.000 1.018 348 E CA -0.389 56.033 56.400 0.036 0.000 0.873 348 E CB 1.378 31.098 29.700 0.033 0.000 1.134 348 E HN 0.075 nan 8.360 nan 0.000 0.403 349 S N 1.138 116.872 115.700 0.058 0.000 2.596 349 S HA 0.127 4.615 4.470 0.029 0.000 0.260 349 S C -1.671 172.952 174.600 0.038 0.000 1.336 349 S CA -0.921 57.325 58.200 0.077 0.000 0.993 349 S CB 0.649 63.943 63.200 0.156 0.000 0.923 349 S HN 0.245 nan 8.310 nan 0.000 0.567 350 P HA 0.045 nan 4.420 nan 0.000 0.230 350 P C 0.590 177.707 177.300 -0.305 0.000 1.158 350 P CA 0.934 63.909 63.100 -0.208 0.000 0.769 350 P CB -0.220 31.274 31.700 -0.344 0.000 0.807 351 F N -1.488 118.452 119.950 -0.018 0.000 2.776 351 F HA 0.030 4.574 4.527 0.029 0.000 0.300 351 F C 2.058 177.853 175.800 -0.009 0.000 1.116 351 F CA 0.394 58.386 58.000 -0.014 0.000 1.375 351 F CB -0.134 38.859 39.000 -0.013 0.000 1.109 351 F HN -0.261 nan 8.300 nan 0.000 0.585 352 V N -1.980 118.010 119.914 0.126 0.000 2.950 352 V HA 0.139 4.276 4.120 0.029 0.000 0.231 352 V C 0.630 176.744 176.094 0.034 0.000 1.205 352 V CA 0.830 63.176 62.300 0.077 0.000 1.239 352 V CB -0.070 31.797 31.823 0.073 0.000 1.050 352 V HN 0.363 nan 8.190 nan 0.000 0.498 353 T N -0.463 114.103 114.554 0.019 0.000 0.541 353 T HA -0.228 4.139 4.350 0.029 0.000 0.774 353 T C 0.131 174.834 174.700 0.005 0.000 0.992 353 T CA 0.399 62.497 62.100 -0.003 0.000 4.077 353 T CB -1.446 67.406 68.868 -0.026 0.000 2.303 353 T HN 0.433 nan 8.240 nan 0.000 0.398 354 S N 1.144 116.843 115.700 -0.003 0.000 2.664 354 S HA 0.614 5.101 4.470 0.029 0.000 0.245 354 S C 0.728 175.324 174.600 -0.006 0.000 1.019 354 S CA -0.100 58.103 58.200 0.005 0.000 0.996 354 S CB 0.674 63.882 63.200 0.013 0.000 0.878 354 S HN 1.261 nan 8.310 nan 0.000 0.493 355 G N 1.553 110.341 108.800 -0.021 0.000 2.708 355 G HA2 0.733 4.711 3.960 0.029 0.000 0.289 355 G HA3 0.733 4.711 3.960 0.029 0.000 0.289 355 G C -1.425 173.449 174.900 -0.044 0.000 1.416 355 G CA -0.889 44.190 45.100 -0.035 0.000 0.829 355 G HN 0.316 nan 8.290 nan 0.000 0.480 356 I N -2.013 118.519 120.570 -0.062 0.000 2.545 356 I HA 0.755 4.943 4.170 0.029 0.000 0.292 356 I C -0.502 175.569 176.117 -0.076 0.000 1.040 356 I CA -1.188 60.071 61.300 -0.067 0.000 1.068 356 I CB 2.533 40.486 38.000 -0.078 0.000 1.251 356 I HN 0.480 nan 8.210 nan 0.000 0.424 357 R N 5.731 126.192 120.500 -0.064 0.000 2.346 357 R HA 0.779 5.137 4.340 0.029 0.000 0.311 357 R C -1.602 174.662 176.300 -0.061 0.000 0.983 357 R CA -0.533 55.526 56.100 -0.069 0.000 0.880 357 R CB 1.420 31.685 30.300 -0.058 0.000 1.100 357 R HN 0.821 nan 8.270 nan 0.000 0.453 358 I N 2.535 123.061 120.570 -0.073 0.000 2.582 358 I HA 0.479 4.667 4.170 0.029 0.000 0.292 358 I C -0.089 175.991 176.117 -0.062 0.000 1.066 358 I CA -0.794 60.471 61.300 -0.059 0.000 1.053 358 I CB 2.517 40.474 38.000 -0.071 0.000 1.241 358 I HN 0.793 nan 8.210 nan 0.000 0.421 359 G N 1.223 110.009 108.800 -0.024 0.000 2.619 359 G HA2 0.499 4.476 3.960 0.029 0.000 0.296 359 G HA3 0.499 4.476 3.960 0.029 0.000 0.296 359 G C 0.039 174.955 174.900 0.028 0.000 1.334 359 G CA -0.286 44.812 45.100 -0.003 0.000 0.934 359 G HN 0.583 nan 8.290 nan 0.000 0.476 360 T N -2.007 112.577 114.554 0.049 0.000 3.054 360 T HA 0.380 4.748 4.350 0.029 0.000 0.255 360 T C 2.105 176.834 174.700 0.048 0.000 1.035 360 T CA 1.157 63.283 62.100 0.042 0.000 0.941 360 T CB 0.707 69.596 68.868 0.036 0.000 1.026 360 T HN 0.738 nan 8.240 nan 0.000 0.533 361 A N 1.877 124.742 122.820 0.076 0.000 1.908 361 A HA 0.238 4.575 4.320 0.029 0.000 0.218 361 A C 2.693 180.342 177.584 0.108 0.000 1.181 361 A CA 1.824 53.919 52.037 0.096 0.000 0.627 361 A CB -1.319 17.744 19.000 0.105 0.000 0.818 361 A HN 0.735 nan 8.150 nan 0.000 0.445 362 A N -0.197 122.605 122.820 -0.031 0.000 1.872 362 A HA 0.044 4.382 4.320 0.029 0.000 0.214 362 A C 2.300 179.891 177.584 0.013 0.000 1.187 362 A CA 2.045 53.978 52.037 -0.173 0.000 0.614 362 A CB -1.230 17.491 19.000 -0.465 0.000 0.826 362 A HN 1.125 nan 8.150 nan 0.000 0.442 363 V N -2.542 117.340 119.914 -0.055 0.000 2.626 363 V HA -0.148 3.990 4.120 0.029 0.000 0.252 363 V C 2.111 178.167 176.094 -0.064 0.000 1.067 363 V CA 2.544 64.705 62.300 -0.232 0.000 1.081 363 V CB -1.784 29.862 31.823 -0.293 0.000 0.686 363 V HN 0.408 nan 8.190 nan 0.000 0.468 364 T N 0.600 115.212 114.554 0.096 0.000 2.777 364 T HA -0.135 4.232 4.350 0.029 0.000 0.266 364 T C 1.958 176.840 174.700 0.302 0.000 1.040 364 T CA 2.167 64.384 62.100 0.195 0.000 1.141 364 T CB -0.579 68.360 68.868 0.117 0.000 0.868 364 T HN 0.631 nan 8.240 nan 0.000 0.444 365 T N 2.416 117.177 114.554 0.344 0.000 2.759 365 T HA -0.138 4.230 4.350 0.029 0.000 0.269 365 T C 1.917 176.709 174.700 0.152 0.000 1.042 365 T CA 1.238 63.458 62.100 0.200 0.000 1.140 365 T CB -0.236 68.727 68.868 0.157 0.000 0.864 365 T HN 0.568 nan 8.240 nan 0.000 0.455 366 R N 1.032 121.615 120.500 0.139 0.000 2.323 366 R HA 0.263 4.620 4.340 0.029 0.000 0.198 366 R C 1.484 177.853 176.300 0.115 0.000 0.988 366 R CA 0.821 56.947 56.100 0.043 0.000 1.041 366 R CB -0.157 30.084 30.300 -0.099 0.000 0.926 366 R HN 0.375 nan 8.270 nan 0.000 0.476 367 G N 0.183 109.089 108.800 0.177 0.000 2.163 367 G HA2 -0.234 3.743 3.960 0.029 0.000 0.213 367 G HA3 -0.234 3.743 3.960 0.029 0.000 0.213 367 G C -0.003 175.106 174.900 0.348 0.000 0.991 367 G CA -0.412 44.825 45.100 0.227 0.000 0.653 367 G HN 0.298 nan 8.290 nan 0.000 0.518 368 F N 0.963 120.960 119.950 0.078 0.000 2.506 368 F HA 0.454 5.000 4.527 0.032 0.000 0.351 368 F C 1.474 177.303 175.800 0.049 0.000 1.136 368 F CA 0.118 58.152 58.000 0.056 0.000 1.298 368 F CB 1.070 40.103 39.000 0.056 0.000 1.145 368 F HN 0.221 nan 8.300 nan 0.000 0.593 369 G N 1.717 110.616 108.800 0.165 0.000 3.262 369 G HA2 0.408 4.385 3.960 0.029 0.000 0.229 369 G HA3 0.408 4.385 3.960 0.029 0.000 0.229 369 G C 0.470 175.404 174.900 0.056 0.000 1.280 369 G CA -0.805 44.351 45.100 0.093 0.000 0.951 369 G HN 0.567 nan 8.290 nan 0.000 0.589 370 L N -0.028 121.213 121.223 0.031 0.000 2.046 370 L HA -0.052 4.305 4.340 0.029 0.000 0.208 370 L C 2.782 179.654 176.870 0.003 0.000 1.077 370 L CA 1.124 55.976 54.840 0.020 0.000 0.747 370 L CB -0.307 41.760 42.059 0.014 0.000 0.896 370 L HN 0.382 nan 8.230 nan 0.000 0.432 371 E N 0.388 120.579 120.200 -0.015 0.000 2.110 371 E HA -0.211 4.157 4.350 0.029 0.000 0.193 371 E C 2.093 178.655 176.600 -0.064 0.000 0.988 371 E CA 1.151 57.530 56.400 -0.035 0.000 0.804 371 E CB -0.125 29.548 29.700 -0.044 0.000 0.745 371 E HN 0.495 nan 8.360 nan 0.000 0.458 372 E N 0.119 120.257 120.200 -0.103 0.000 2.106 372 E HA -0.088 4.280 4.350 0.029 0.000 0.192 372 E C 1.962 178.536 176.600 -0.043 0.000 0.984 372 E CA 0.742 57.029 56.400 -0.189 0.000 0.806 372 E CB -0.132 29.291 29.700 -0.461 0.000 0.750 372 E HN 0.128 nan 8.360 nan 0.000 0.458 373 M N 0.805 120.420 119.600 0.025 0.000 2.117 373 M HA -0.141 4.357 4.480 0.029 0.000 0.262 373 M C 1.307 177.626 176.300 0.032 0.000 1.065 373 M CA 1.383 56.716 55.300 0.054 0.000 1.114 373 M CB -0.896 31.737 32.600 0.053 0.000 1.361 373 M HN 0.042 nan 8.290 nan 0.000 0.408 374 D N 0.135 120.543 120.400 0.014 0.000 2.123 374 D HA -0.182 4.476 4.640 0.029 0.000 0.196 374 D C 2.003 178.311 176.300 0.014 0.000 0.992 374 D CA 1.349 55.358 54.000 0.015 0.000 0.833 374 D CB -0.207 40.596 40.800 0.005 0.000 0.954 374 D HN 0.386 nan 8.370 nan 0.000 0.455 375 E N 0.598 120.794 120.200 -0.006 0.000 2.072 375 E HA -0.081 4.286 4.350 0.029 0.000 0.191 375 E C 2.130 178.739 176.600 0.015 0.000 0.985 375 E CA 0.653 57.047 56.400 -0.009 0.000 0.801 375 E CB -0.368 29.303 29.700 -0.047 0.000 0.750 375 E HN 0.274 nan 8.360 nan 0.000 0.452 376 I N 0.507 121.093 120.570 0.028 0.000 2.163 376 I HA -0.295 3.892 4.170 0.029 0.000 0.243 376 I C 2.384 178.530 176.117 0.048 0.000 1.085 376 I CA 1.177 62.510 61.300 0.054 0.000 1.347 376 I CB -0.427 37.627 38.000 0.090 0.000 1.044 376 I HN 0.224 nan 8.210 nan 0.000 0.408 377 A N 0.653 123.503 122.820 0.050 0.000 1.902 377 A HA -0.189 4.148 4.320 0.029 0.000 0.217 377 A C 2.532 180.179 177.584 0.104 0.000 1.181 377 A CA 1.932 54.011 52.037 0.070 0.000 0.623 377 A CB -0.878 18.167 19.000 0.075 0.000 0.818 377 A HN 0.444 nan 8.150 nan 0.000 0.443 378 A N -0.178 122.687 122.820 0.075 0.000 1.933 378 A HA -0.062 4.276 4.320 0.029 0.000 0.218 378 A C 2.105 179.733 177.584 0.074 0.000 1.175 378 A CA 1.504 53.584 52.037 0.071 0.000 0.628 378 A CB -0.590 18.434 19.000 0.040 0.000 0.814 378 A HN 0.513 nan 8.150 nan 0.000 0.444 379 I N -0.432 120.174 120.570 0.060 0.000 2.202 379 I HA -0.237 3.951 4.170 0.029 0.000 0.242 379 I C 2.248 178.409 176.117 0.073 0.000 1.091 379 I CA 1.239 62.573 61.300 0.056 0.000 1.368 379 I CB -0.326 37.700 38.000 0.043 0.000 1.058 379 I HN 0.277 nan 8.210 nan 0.000 0.410 380 I N 0.803 121.418 120.570 0.075 0.000 2.286 380 I HA -0.225 3.963 4.170 0.029 0.000 0.248 380 I C 2.653 178.902 176.117 0.219 0.000 1.115 380 I CA 1.597 62.939 61.300 0.071 0.000 1.392 380 I CB -0.847 37.126 38.000 -0.045 0.000 1.065 380 I HN 0.281 nan 8.210 nan 0.000 0.418 381 G N 1.092 110.075 108.800 0.306 0.000 2.421 381 G HA2 -0.271 3.707 3.960 0.029 0.000 0.216 381 G HA3 -0.271 3.707 3.960 0.029 0.000 0.216 381 G C 1.646 176.643 174.900 0.161 0.000 1.171 381 G CA 0.740 46.040 45.100 0.333 0.000 0.775 381 G HN 0.288 nan 8.290 nan 0.000 0.543 382 L N 0.790 122.077 121.223 0.106 0.000 2.012 382 L HA -0.062 4.296 4.340 0.029 0.000 0.210 382 L C 2.854 179.766 176.870 0.070 0.000 1.073 382 L CA 1.697 56.577 54.840 0.066 0.000 0.748 382 L CB -0.576 41.513 42.059 0.050 0.000 0.891 382 L HN 0.090 nan 8.230 nan 0.000 0.431 383 V N -0.325 119.639 119.914 0.084 0.000 2.283 383 V HA -0.262 3.875 4.120 0.029 0.000 0.243 383 V C 2.506 178.654 176.094 0.089 0.000 1.039 383 V CA 2.005 64.348 62.300 0.072 0.000 1.016 383 V CB -0.548 31.311 31.823 0.060 0.000 0.650 383 V HN 0.446 nan 8.190 nan 0.000 0.449 384 L N -0.507 120.802 121.223 0.144 0.000 2.201 384 L HA -0.108 4.249 4.340 0.029 0.000 0.212 384 L C 2.279 179.230 176.870 0.135 0.000 1.105 384 L CA 1.351 56.293 54.840 0.170 0.000 0.775 384 L CB -0.541 41.692 42.059 0.290 0.000 0.913 384 L HN 0.315 nan 8.230 nan 0.000 0.440 385 K N 0.220 120.680 120.400 0.101 0.000 2.426 385 K HA 0.043 4.381 4.320 0.029 0.000 0.193 385 K C -0.017 176.599 176.600 0.027 0.000 1.028 385 K CA 0.332 56.637 56.287 0.031 0.000 1.047 385 K CB 0.151 32.637 32.500 -0.024 0.000 0.821 385 K HN 0.318 nan 8.250 nan 0.000 0.513 386 N N -0.087 118.636 118.700 0.038 0.000 2.622 386 N HA 0.048 4.805 4.740 0.029 0.000 0.304 386 N C 0.286 175.815 175.510 0.031 0.000 1.844 386 N CA -0.091 52.976 53.050 0.028 0.000 0.886 386 N CB 1.359 39.860 38.487 0.024 0.000 1.366 386 N HN -0.209 nan 8.380 nan 0.000 0.491 387 V N -0.366 119.569 119.914 0.035 0.000 2.594 387 V HA -0.120 4.018 4.120 0.029 0.000 0.253 387 V C 2.095 178.205 176.094 0.025 0.000 1.069 387 V CA 2.195 64.515 62.300 0.033 0.000 1.082 387 V CB -0.410 31.435 31.823 0.036 0.000 0.680 387 V HN 0.621 nan 8.190 nan 0.000 0.469 388 G N -1.151 107.662 108.800 0.021 0.000 2.985 388 G HA2 0.011 3.989 3.960 0.029 0.000 0.209 388 G HA3 0.011 3.989 3.960 0.029 0.000 0.209 388 G C 0.670 175.579 174.900 0.015 0.000 1.165 388 G CA 0.629 45.739 45.100 0.017 0.000 0.776 388 G HN 0.451 nan 8.290 nan 0.000 0.541 389 S N 0.344 116.054 115.700 0.017 0.000 2.420 389 S HA 0.309 4.796 4.470 0.029 0.000 0.313 389 S C 1.089 175.699 174.600 0.016 0.000 1.079 389 S CA -0.565 57.644 58.200 0.015 0.000 1.104 389 S CB 0.928 64.136 63.200 0.015 0.000 0.969 389 S HN 0.163 nan 8.310 nan 0.000 0.471 390 E N 3.582 123.790 120.200 0.014 0.000 2.204 390 E HA -0.166 4.202 4.350 0.029 0.000 0.194 390 E C 2.091 178.699 176.600 0.014 0.000 0.989 390 E CA 1.054 57.462 56.400 0.014 0.000 0.824 390 E CB -0.036 29.671 29.700 0.012 0.000 0.756 390 E HN 0.951 nan 8.360 nan 0.000 0.477 391 Q N 0.155 119.962 119.800 0.013 0.000 2.119 391 Q HA 0.005 4.363 4.340 0.029 0.000 0.201 391 Q C 2.122 178.131 176.000 0.014 0.000 0.972 391 Q CA 1.427 57.237 55.803 0.012 0.000 0.847 391 Q CB -0.367 28.377 28.738 0.010 0.000 0.903 391 Q HN 0.130 nan 8.270 nan 0.000 0.433 392 A N 1.943 124.772 122.820 0.016 0.000 1.933 392 A HA -0.067 4.271 4.320 0.029 0.000 0.218 392 A C 2.259 179.857 177.584 0.022 0.000 1.175 392 A CA 1.078 53.127 52.037 0.019 0.000 0.628 392 A CB -0.634 18.379 19.000 0.022 0.000 0.814 392 A HN 0.347 nan 8.150 nan 0.000 0.444 393 L N -0.966 120.270 121.223 0.021 0.000 2.093 393 L HA -0.157 4.200 4.340 0.029 0.000 0.208 393 L C 2.612 179.494 176.870 0.020 0.000 1.085 393 L CA 1.658 56.512 54.840 0.022 0.000 0.755 393 L CB -0.492 41.580 42.059 0.021 0.000 0.904 393 L HN 0.448 nan 8.230 nan 0.000 0.435 394 E N 0.774 120.985 120.200 0.017 0.000 2.106 394 E HA -0.251 4.116 4.350 0.029 0.000 0.192 394 E C 2.021 178.631 176.600 0.016 0.000 0.984 394 E CA 1.315 57.724 56.400 0.016 0.000 0.806 394 E CB 0.009 29.717 29.700 0.013 0.000 0.750 394 E HN 0.415 nan 8.360 nan 0.000 0.458 395 E N -0.294 119.915 120.200 0.016 0.000 2.077 395 E HA -0.218 4.149 4.350 0.029 0.000 0.193 395 E C 1.943 178.553 176.600 0.018 0.000 0.989 395 E CA 1.123 57.532 56.400 0.015 0.000 0.800 395 E CB -0.255 29.454 29.700 0.015 0.000 0.746 395 E HN 0.315 nan 8.360 nan 0.000 0.452 396 A N 1.464 124.297 122.820 0.022 0.000 1.883 396 A HA -0.214 4.124 4.320 0.029 0.000 0.217 396 A C 2.224 179.823 177.584 0.024 0.000 1.186 396 A CA 1.672 53.724 52.037 0.025 0.000 0.624 396 A CB -0.596 18.422 19.000 0.030 0.000 0.822 396 A HN 0.209 nan 8.150 nan 0.000 0.444 397 R N -0.757 119.756 120.500 0.022 0.000 2.091 397 R HA -0.187 4.171 4.340 0.029 0.000 0.238 397 R C 2.507 178.819 176.300 0.020 0.000 1.136 397 R CA 1.901 58.014 56.100 0.022 0.000 0.959 397 R CB -0.305 30.007 30.300 0.020 0.000 0.856 397 R HN 0.720 nan 8.270 nan 0.000 0.437 398 Q N -0.414 119.396 119.800 0.017 0.000 2.119 398 Q HA -0.123 4.235 4.340 0.029 0.000 0.201 398 Q C 2.079 178.087 176.000 0.013 0.000 0.972 398 Q CA 1.206 57.018 55.803 0.014 0.000 0.847 398 Q CB 0.024 28.770 28.738 0.012 0.000 0.903 398 Q HN 0.297 nan 8.270 nan 0.000 0.433 399 R N -0.212 120.296 120.500 0.013 0.000 2.115 399 R HA -0.064 4.293 4.340 0.029 0.000 0.226 399 R C 2.279 178.586 176.300 0.012 0.000 1.100 399 R CA 0.912 57.017 56.100 0.008 0.000 0.980 399 R CB -0.174 30.132 30.300 0.010 0.000 0.875 399 R HN 0.066 nan 8.270 nan 0.000 0.445 400 V N 1.069 120.997 119.914 0.024 0.000 2.295 400 V HA -0.238 3.899 4.120 0.029 0.000 0.246 400 V C 2.432 178.546 176.094 0.033 0.000 1.049 400 V CA 2.005 64.328 62.300 0.038 0.000 1.024 400 V CB -0.670 31.177 31.823 0.040 0.000 0.648 400 V HN 0.402 nan 8.190 nan 0.000 0.447 401 A N 0.003 122.837 122.820 0.024 0.000 1.940 401 A HA -0.165 4.172 4.320 0.029 0.000 0.219 401 A C 2.410 180.004 177.584 0.018 0.000 1.176 401 A CA 2.167 54.217 52.037 0.021 0.000 0.631 401 A CB -0.768 18.245 19.000 0.022 0.000 0.814 401 A HN 0.591 nan 8.150 nan 0.000 0.446 402 A N -0.476 122.349 122.820 0.009 0.000 1.933 402 A HA -0.013 4.324 4.320 0.029 0.000 0.218 402 A C 2.153 179.725 177.584 -0.020 0.000 1.175 402 A CA 1.473 53.508 52.037 -0.004 0.000 0.628 402 A CB -0.503 18.489 19.000 -0.012 0.000 0.814 402 A HN 0.482 nan 8.150 nan 0.000 0.444 403 L N -0.409 120.799 121.223 -0.024 0.000 2.109 403 L HA -0.106 4.251 4.340 0.029 0.000 0.207 403 L C 2.790 179.696 176.870 0.060 0.000 1.086 403 L CA 1.723 56.523 54.840 -0.066 0.000 0.760 403 L CB -0.511 41.514 42.059 -0.057 0.000 0.910 403 L HN 0.623 nan 8.230 nan 0.000 0.437 404 T N -4.140 110.458 114.554 0.073 0.000 3.081 404 T HA 0.058 4.426 4.350 0.029 0.000 0.255 404 T C 0.462 175.130 174.700 -0.052 0.000 1.113 404 T CA 0.224 62.320 62.100 -0.007 0.000 1.082 404 T CB -0.040 68.747 68.868 -0.135 0.000 0.939 404 T HN 0.494 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.422 120.400 0.036 0.000 6.856 405 D HA 0.000 4.657 4.640 0.029 0.000 0.175 405 D CA 0.000 54.057 54.000 0.096 0.000 0.868 405 D CB 0.000 40.891 40.800 0.151 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683