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 2vmp_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 ATIPYDPESP 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 0.000 176.224 176.300 -0.127 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.642 32.600 0.070 0.000 1.302 2 K N 0.249 120.547 120.400 -0.170 0.000 2.443 2 K HA 0.230 4.563 4.320 0.023 0.000 0.200 2 K C 0.602 176.896 176.600 -0.511 0.000 1.278 2 K CA 0.661 56.712 56.287 -0.392 0.000 0.925 2 K CB 0.626 32.800 32.500 -0.543 0.000 1.225 2 K HN 0.686 nan 8.250 nan 0.000 0.514 3 Y N 0.367 120.592 120.300 -0.125 0.000 2.441 3 Y HA 0.007 4.559 4.550 0.004 0.000 0.288 3 Y C 1.884 177.705 175.900 -0.131 0.000 1.118 3 Y CA 0.024 58.058 58.100 -0.110 0.000 1.215 3 Y CB 0.005 38.422 38.460 -0.072 0.000 1.118 3 Y HN -0.025 nan 8.280 nan 0.000 0.547 4 L N 1.530 122.753 121.223 0.001 0.000 2.042 4 L HA -0.081 4.273 4.340 0.023 0.000 0.210 4 L C -0.913 175.843 176.870 -0.191 0.000 1.076 4 L CA 2.008 56.825 54.840 -0.040 0.000 0.749 4 L CB -1.573 40.516 42.059 0.049 0.000 0.893 4 L HN -0.004 nan 8.230 nan 0.000 0.432 5 P HA -0.212 nan 4.420 nan 0.000 0.216 5 P C 1.446 178.587 177.300 -0.266 0.000 1.150 5 P CA 1.394 64.061 63.100 -0.723 0.000 0.843 5 P CB 0.071 31.156 31.700 -1.024 0.000 0.787 6 Q N -0.505 119.177 119.800 -0.198 0.000 2.096 6 Q HA -0.165 4.189 4.340 0.023 0.000 0.197 6 Q C 2.337 178.312 176.000 -0.042 0.000 0.964 6 Q CA 1.456 57.200 55.803 -0.099 0.000 0.838 6 Q CB -0.834 27.851 28.738 -0.089 0.000 0.906 6 Q HN -0.003 nan 8.270 nan 0.000 0.444 7 Q N 0.349 120.136 119.800 -0.023 0.000 2.079 7 Q HA -0.066 4.288 4.340 0.023 0.000 0.200 7 Q C -0.335 175.671 176.000 0.011 0.000 0.974 7 Q CA 1.676 57.482 55.803 0.005 0.000 0.840 7 Q CB 0.222 28.973 28.738 0.022 0.000 0.898 7 Q HN 0.234 nan 8.270 nan 0.000 0.430 8 D N -1.371 119.041 120.400 0.020 0.000 2.429 8 D HA 0.214 4.868 4.640 0.023 0.000 0.255 8 D C -2.243 174.110 176.300 0.088 0.000 1.257 8 D CA -1.765 52.264 54.000 0.047 0.000 0.890 8 D CB 1.309 42.141 40.800 0.054 0.000 1.267 8 D HN -0.023 nan 8.370 nan 0.000 0.521 9 P HA -0.151 nan 4.420 nan 0.000 0.216 9 P C 1.426 178.805 177.300 0.132 0.000 1.153 9 P CA 1.237 64.410 63.100 0.122 0.000 0.858 9 P CB 0.561 32.304 31.700 0.073 0.000 0.789 10 Q N -0.795 119.054 119.800 0.082 0.000 2.020 10 Q HA -0.113 4.241 4.340 0.023 0.000 0.202 10 Q C 2.144 178.180 176.000 0.061 0.000 0.982 10 Q CA 1.430 57.267 55.803 0.058 0.000 0.838 10 Q CB -0.847 27.913 28.738 0.037 0.000 0.899 10 Q HN 0.094 nan 8.270 nan 0.000 0.423 11 V N 0.593 120.553 119.914 0.076 0.000 2.295 11 V HA -0.248 3.886 4.120 0.023 0.000 0.246 11 V C 1.957 178.114 176.094 0.104 0.000 1.049 11 V CA 1.772 64.116 62.300 0.074 0.000 1.024 11 V CB -0.627 31.239 31.823 0.072 0.000 0.648 11 V HN 0.315 nan 8.190 nan 0.000 0.447 12 F N 1.619 121.570 119.950 0.003 0.000 2.095 12 F HA -0.199 4.332 4.527 0.006 0.000 0.298 12 F C 2.301 178.101 175.800 0.000 0.000 1.104 12 F CA 1.460 59.461 58.000 0.002 0.000 1.232 12 F CB -0.721 38.279 39.000 -0.000 0.000 0.987 12 F HN 0.078 nan 8.300 nan 0.000 0.475 13 A N 0.318 123.098 122.820 -0.068 0.000 1.908 13 A HA -0.107 4.227 4.320 0.023 0.000 0.218 13 A C 2.432 179.917 177.584 -0.166 0.000 1.181 13 A CA 2.081 54.024 52.037 -0.158 0.000 0.627 13 A CB -1.598 17.387 19.000 -0.025 0.000 0.818 13 A HN 0.527 nan 8.150 nan 0.000 0.445 14 A N -0.208 122.556 122.820 -0.093 0.000 1.898 14 A HA -0.039 4.295 4.320 0.023 0.000 0.216 14 A C 2.126 179.652 177.584 -0.096 0.000 1.181 14 A CA 1.419 53.414 52.037 -0.071 0.000 0.620 14 A CB -0.575 18.407 19.000 -0.029 0.000 0.819 14 A HN 0.492 nan 8.150 nan 0.000 0.442 15 I N -0.310 120.190 120.570 -0.118 0.000 2.208 15 I HA -0.234 3.950 4.170 0.023 0.000 0.245 15 I C 2.476 178.481 176.117 -0.187 0.000 1.097 15 I CA 1.307 62.536 61.300 -0.118 0.000 1.363 15 I CB -0.338 37.620 38.000 -0.070 0.000 1.051 15 I HN 0.316 nan 8.210 nan 0.000 0.413 16 E N 0.598 120.585 120.200 -0.355 0.000 2.077 16 E HA -0.246 4.118 4.350 0.023 0.000 0.193 16 E C 2.155 178.644 176.600 -0.185 0.000 0.989 16 E CA 1.219 57.407 56.400 -0.352 0.000 0.800 16 E CB -0.277 29.076 29.700 -0.578 0.000 0.746 16 E HN 0.596 nan 8.360 nan 0.000 0.452 17 Q N 0.303 120.014 119.800 -0.149 0.000 2.096 17 Q HA -0.217 4.137 4.340 0.023 0.000 0.204 17 Q C 2.153 178.123 176.000 -0.050 0.000 0.982 17 Q CA 1.689 57.444 55.803 -0.080 0.000 0.850 17 Q CB -0.112 28.589 28.738 -0.062 0.000 0.901 17 Q HN 0.103 nan 8.270 nan 0.000 0.422 18 E N 1.039 121.209 120.200 -0.050 0.000 2.072 18 E HA -0.191 4.173 4.350 0.023 0.000 0.191 18 E C 1.823 178.421 176.600 -0.003 0.000 0.985 18 E CA 1.300 57.690 56.400 -0.017 0.000 0.801 18 E CB -0.073 29.619 29.700 -0.014 0.000 0.750 18 E HN 0.173 nan 8.360 nan 0.000 0.452 19 R N 0.239 120.721 120.500 -0.029 0.000 2.083 19 R HA -0.146 4.208 4.340 0.023 0.000 0.237 19 R C 2.152 178.447 176.300 -0.009 0.000 1.137 19 R CA 1.994 58.080 56.100 -0.022 0.000 0.951 19 R CB -0.077 30.190 30.300 -0.054 0.000 0.851 19 R HN 0.077 nan 8.270 nan 0.000 0.434 20 K N -0.306 120.083 120.400 -0.019 0.000 2.097 20 K HA -0.126 4.208 4.320 0.023 0.000 0.205 20 K C 2.272 178.904 176.600 0.054 0.000 1.050 20 K CA 1.120 57.414 56.287 0.012 0.000 0.938 20 K CB -0.167 32.325 32.500 -0.014 0.000 0.718 20 K HN 0.131 nan 8.250 nan 0.000 0.442 21 R N 1.530 122.049 120.500 0.032 0.000 2.083 21 R HA -0.184 4.170 4.340 0.023 0.000 0.237 21 R C 2.085 178.420 176.300 0.058 0.000 1.137 21 R CA 1.735 57.859 56.100 0.040 0.000 0.951 21 R CB -0.068 30.250 30.300 0.029 0.000 0.851 21 R HN 0.291 nan 8.270 nan 0.000 0.434 22 Q N -1.313 118.530 119.800 0.073 0.000 2.234 22 Q HA -0.236 4.118 4.340 0.023 0.000 0.206 22 Q C 1.849 177.852 176.000 0.006 0.000 0.980 22 Q CA 1.857 57.726 55.803 0.109 0.000 0.869 22 Q CB -0.161 28.669 28.738 0.153 0.000 0.912 22 Q HN 0.550 nan 8.270 nan 0.000 0.436 23 H N -0.377 118.640 119.070 -0.088 0.000 2.415 23 H HA 0.118 4.687 4.556 0.023 0.000 0.297 23 H C 1.773 177.078 175.328 -0.039 0.000 1.048 23 H CA 1.303 57.285 56.048 -0.110 0.000 1.365 23 H CB 0.124 29.830 29.762 -0.094 0.000 1.421 23 H HN 0.195 nan 8.280 nan 0.000 0.533 24 A N 0.924 123.712 122.820 -0.053 0.000 1.930 24 A HA 0.071 4.404 4.320 0.023 0.000 0.215 24 A C 0.926 178.475 177.584 -0.057 0.000 1.176 24 A CA 0.411 52.409 52.037 -0.065 0.000 0.632 24 A CB 0.033 19.053 19.000 0.034 0.000 0.819 24 A HN 0.152 nan 8.150 nan 0.000 0.445 25 K N -0.076 120.312 120.400 -0.020 0.000 2.098 25 K HA 0.475 4.809 4.320 0.023 0.000 0.257 25 K C -0.710 175.895 176.600 0.008 0.000 0.999 25 K CA -0.370 55.923 56.287 0.009 0.000 0.924 25 K CB 1.002 33.521 32.500 0.031 0.000 1.028 25 K HN 0.244 nan 8.250 nan 0.000 0.466 26 I N 2.228 122.815 120.570 0.028 0.000 2.294 26 I HA 0.000 4.184 4.170 0.023 0.000 0.295 26 I C 0.450 176.578 176.117 0.018 0.000 1.098 26 I CA -0.458 60.859 61.300 0.028 0.000 1.277 26 I CB 0.417 38.468 38.000 0.086 0.000 1.434 26 I HN 0.383 nan 8.210 nan 0.000 0.498 27 E N 7.389 127.596 120.200 0.013 0.000 1.996 27 E HA 0.212 4.576 4.350 0.023 0.000 0.280 27 E C -0.071 176.515 176.600 -0.024 0.000 1.092 27 E CA 0.140 56.548 56.400 0.012 0.000 0.862 27 E CB 0.505 30.235 29.700 0.050 0.000 1.066 27 E HN 0.562 nan 8.360 nan 0.000 0.396 28 L N 4.996 126.210 121.223 -0.015 0.000 2.857 28 L HA 0.283 4.637 4.340 0.023 0.000 0.249 28 L C 0.097 176.960 176.870 -0.012 0.000 1.172 28 L CA -0.526 54.305 54.840 -0.015 0.000 0.980 28 L CB 0.150 42.202 42.059 -0.011 0.000 1.299 28 L HN 0.480 nan 8.230 nan 0.000 0.535 29 I N 1.563 122.124 120.570 -0.015 0.000 2.664 29 I HA -0.083 4.101 4.170 0.023 0.000 0.284 29 I C 1.737 177.871 176.117 0.028 0.000 1.154 29 I CA 0.415 61.716 61.300 0.003 0.000 1.402 29 I CB 0.554 38.550 38.000 -0.006 0.000 1.395 29 I HN 0.158 nan 8.210 nan 0.000 0.545 30 A N 5.130 127.996 122.820 0.077 0.000 2.076 30 A HA -0.151 4.183 4.320 0.023 0.000 0.220 30 A C 2.239 179.964 177.584 0.236 0.000 1.160 30 A CA 1.804 53.941 52.037 0.165 0.000 0.653 30 A CB -0.182 18.906 19.000 0.146 0.000 0.801 30 A HN 0.704 nan 8.150 nan 0.000 0.455 31 S N -1.030 114.753 115.700 0.137 0.000 2.548 31 S HA 0.112 4.596 4.470 0.023 0.000 0.215 31 S C 0.567 175.133 174.600 -0.056 0.000 0.976 31 S CA -0.182 57.987 58.200 -0.052 0.000 0.908 31 S CB -0.126 63.072 63.200 -0.003 0.000 0.781 31 S HN 0.668 nan 8.310 nan 0.000 0.519 32 E N 0.933 121.104 120.200 -0.048 0.000 2.232 32 E HA 0.451 4.815 4.350 0.023 0.000 0.265 32 E C -0.544 175.940 176.600 -0.194 0.000 1.001 32 E CA -0.712 55.616 56.400 -0.119 0.000 0.870 32 E CB 0.895 30.497 29.700 -0.163 0.000 1.175 32 E HN 0.135 nan 8.360 nan 0.000 0.407 33 N N -0.062 118.456 118.700 -0.304 0.000 3.277 33 N HA 0.354 5.108 4.740 0.023 0.000 0.278 33 N C -1.938 173.238 175.510 -0.557 0.000 1.544 33 N CA -0.551 52.280 53.050 -0.364 0.000 0.869 33 N CB 0.937 39.378 38.487 -0.076 0.000 1.584 33 N HN 0.205 nan 8.380 nan 0.000 0.564 34 F N 1.079 121.037 119.950 0.014 0.000 2.460 34 F HA 0.371 4.907 4.527 0.016 0.000 0.341 34 F C 0.650 176.443 175.800 -0.011 0.000 1.130 34 F CA -0.869 57.129 58.000 -0.003 0.000 0.962 34 F CB 1.202 40.192 39.000 -0.016 0.000 1.171 34 F HN 0.143 nan 8.300 nan 0.000 0.436 35 V N 0.468 120.477 119.914 0.158 0.000 3.003 35 V HA 0.639 4.773 4.120 0.023 0.000 0.305 35 V C 0.416 176.552 176.094 0.069 0.000 1.078 35 V CA -0.826 61.523 62.300 0.082 0.000 1.083 35 V CB 1.077 32.929 31.823 0.048 0.000 1.039 35 V HN 0.831 nan 8.190 nan 0.000 0.481 36 S N 3.008 118.728 115.700 0.034 0.000 2.600 36 S HA 0.323 4.807 4.470 0.023 0.000 0.265 36 S C 0.923 175.532 174.600 0.015 0.000 1.325 36 S CA -0.132 58.079 58.200 0.019 0.000 1.002 36 S CB 0.659 63.862 63.200 0.006 0.000 0.921 36 S HN 0.767 nan 8.310 nan 0.000 0.554 37 R N 0.790 121.295 120.500 0.010 0.000 2.096 37 R HA -0.071 4.283 4.340 0.023 0.000 0.235 37 R C 2.591 178.893 176.300 0.003 0.000 1.127 37 R CA 1.327 57.431 56.100 0.008 0.000 0.968 37 R CB -0.989 29.314 30.300 0.005 0.000 0.861 37 R HN 0.826 nan 8.270 nan 0.000 0.440 38 A N 0.673 123.491 122.820 -0.002 0.000 1.883 38 A HA -0.138 4.196 4.320 0.023 0.000 0.217 38 A C 2.342 179.917 177.584 -0.016 0.000 1.186 38 A CA 1.484 53.515 52.037 -0.009 0.000 0.624 38 A CB -0.633 18.360 19.000 -0.012 0.000 0.822 38 A HN 0.120 nan 8.150 nan 0.000 0.444 39 V N -0.033 119.869 119.914 -0.019 0.000 2.287 39 V HA -0.352 3.782 4.120 0.023 0.000 0.248 39 V C 2.683 178.766 176.094 -0.019 0.000 1.053 39 V CA 2.414 64.695 62.300 -0.031 0.000 1.027 39 V CB -0.681 31.123 31.823 -0.031 0.000 0.646 39 V HN 0.590 nan 8.190 nan 0.000 0.447 40 M N -0.859 118.740 119.600 -0.002 0.000 2.117 40 M HA -0.220 4.274 4.480 0.023 0.000 0.262 40 M C 2.207 178.513 176.300 0.010 0.000 1.065 40 M CA 1.876 57.181 55.300 0.009 0.000 1.114 40 M CB -0.554 32.057 32.600 0.019 0.000 1.361 40 M HN 0.380 nan 8.290 nan 0.000 0.408 41 E N 0.389 120.593 120.200 0.006 0.000 2.085 41 E HA -0.189 4.175 4.350 0.023 0.000 0.194 41 E C 2.083 178.685 176.600 0.003 0.000 0.994 41 E CA 1.312 57.715 56.400 0.005 0.000 0.801 41 E CB -0.160 29.541 29.700 0.001 0.000 0.743 41 E HN 0.519 nan 8.360 nan 0.000 0.453 42 A N 1.270 124.087 122.820 -0.005 0.000 1.902 42 A HA -0.250 4.084 4.320 0.023 0.000 0.217 42 A C 2.049 179.647 177.584 0.024 0.000 1.181 42 A CA 1.360 53.393 52.037 -0.005 0.000 0.623 42 A CB -0.411 18.571 19.000 -0.031 0.000 0.818 42 A HN 0.195 nan 8.150 nan 0.000 0.443 43 Q N -0.982 118.834 119.800 0.026 0.000 2.167 43 Q HA -0.092 4.262 4.340 0.023 0.000 0.202 43 Q C 1.730 177.796 176.000 0.109 0.000 0.970 43 Q CA 1.107 56.959 55.803 0.081 0.000 0.855 43 Q CB -0.306 28.457 28.738 0.041 0.000 0.911 43 Q HN 0.654 nan 8.270 nan 0.000 0.438 44 G N 1.231 110.056 108.800 0.042 0.000 3.314 44 G HA2 0.045 4.019 3.960 0.023 0.000 0.238 44 G HA3 0.045 4.019 3.960 0.023 0.000 0.238 44 G C 0.340 175.228 174.900 -0.020 0.000 1.184 44 G CA 0.036 45.142 45.100 0.010 0.000 0.806 44 G HN 0.263 nan 8.290 nan 0.000 0.536 45 S N -0.820 114.871 115.700 -0.014 0.000 2.707 45 S HA 0.288 4.772 4.470 0.023 0.000 0.276 45 S C 1.563 176.114 174.600 -0.082 0.000 1.179 45 S CA 0.046 58.225 58.200 -0.034 0.000 0.992 45 S CB 1.507 64.701 63.200 -0.010 0.000 1.030 45 S HN 0.546 nan 8.310 nan 0.000 0.554 46 V N -0.762 119.106 119.914 -0.076 0.000 3.383 46 V HA 0.047 4.181 4.120 0.023 0.000 0.272 46 V C 1.645 177.681 176.094 -0.098 0.000 1.181 46 V CA 0.855 63.098 62.300 -0.096 0.000 1.171 46 V CB -1.396 30.383 31.823 -0.073 0.000 0.800 46 V HN 0.684 nan 8.190 nan 0.000 0.515 47 L N 0.990 122.173 121.223 -0.066 0.000 2.353 47 L HA -0.080 4.274 4.340 0.023 0.000 0.220 47 L C 2.747 179.571 176.870 -0.077 0.000 1.133 47 L CA 2.266 57.087 54.840 -0.030 0.000 0.798 47 L CB -1.303 40.779 42.059 0.039 0.000 0.922 47 L HN 0.533 nan 8.230 nan 0.000 0.445 48 T N -1.016 113.360 114.554 -0.297 0.000 2.849 48 T HA -0.189 4.175 4.350 0.023 0.000 0.270 48 T C 1.602 176.141 174.700 -0.268 0.000 1.066 48 T CA 1.794 63.578 62.100 -0.526 0.000 1.130 48 T CB -0.380 67.944 68.868 -0.908 0.000 0.864 48 T HN 0.530 nan 8.240 nan 0.000 0.481 49 N N -0.044 118.543 118.700 -0.189 0.000 2.512 49 N HA 0.009 4.763 4.740 0.023 0.000 0.183 49 N C 0.388 175.825 175.510 -0.121 0.000 1.073 49 N CA 0.250 53.219 53.050 -0.135 0.000 0.911 49 N CB 0.121 38.551 38.487 -0.095 0.000 0.964 49 N HN 0.140 nan 8.380 nan 0.000 0.447 50 K N 0.813 121.132 120.400 -0.135 0.000 2.263 50 K HA 0.145 4.479 4.320 0.023 0.000 0.272 50 K C -1.438 175.016 176.600 -0.243 0.000 1.033 50 K CA -0.477 55.732 56.287 -0.131 0.000 0.884 50 K CB 0.162 32.616 32.500 -0.078 0.000 1.107 50 K HN -0.064 nan 8.250 nan 0.000 0.460 51 Y N 2.493 122.588 120.300 -0.341 0.000 2.496 51 Y HA 0.294 4.862 4.550 0.030 0.000 0.334 51 Y C 0.532 176.024 175.900 -0.679 0.000 1.080 51 Y CA 0.464 58.187 58.100 -0.629 0.000 1.355 51 Y CB 1.200 39.008 38.460 -1.087 0.000 1.193 51 Y HN 0.713 nan 8.280 nan 0.000 0.523 52 A N 4.303 126.964 122.820 -0.265 0.000 3.045 52 A HA 0.257 4.590 4.320 0.023 0.000 0.244 52 A C -0.185 177.339 177.584 -0.100 0.000 0.917 52 A CA -0.612 51.354 52.037 -0.119 0.000 1.075 52 A CB -0.300 18.633 19.000 -0.113 0.000 1.202 52 A HN 0.765 nan 8.150 nan 0.000 0.486 53 E N 0.336 120.544 120.200 0.013 0.000 2.442 53 E HA 0.372 4.736 4.350 0.023 0.000 0.262 53 E C 0.989 177.455 176.600 -0.225 0.000 1.004 53 E CA 1.321 57.510 56.400 -0.352 0.000 0.928 53 E CB 0.577 30.093 29.700 -0.306 0.000 0.937 53 E HN 1.073 nan 8.360 nan 0.000 0.446 54 G N 1.550 110.034 108.800 -0.527 0.000 2.472 54 G HA2 -0.211 3.763 3.960 0.023 0.000 0.205 54 G HA3 -0.211 3.763 3.960 0.023 0.000 0.205 54 G C -1.460 173.136 174.900 -0.506 0.000 1.270 54 G CA -0.708 44.317 45.100 -0.125 0.000 0.974 54 G HN 0.441 nan 8.290 nan 0.000 0.542 55 Y N -0.210 120.105 120.300 0.025 0.000 2.634 55 Y HA 0.609 5.174 4.550 0.024 0.000 0.340 55 Y C -2.064 173.837 175.900 0.000 0.000 1.058 55 Y CA -1.846 56.274 58.100 0.034 0.000 1.081 55 Y CB 1.924 40.435 38.460 0.084 0.000 1.295 55 Y HN 0.435 nan 8.280 nan 0.000 0.487 56 P HA 0.049 nan 4.420 nan 0.000 0.261 56 P C 0.601 177.937 177.300 0.061 0.000 1.183 56 P CA 2.149 65.298 63.100 0.082 0.000 0.761 56 P CB 0.216 31.969 31.700 0.089 0.000 0.785 57 G N 3.123 111.931 108.800 0.014 0.000 2.184 57 G HA2 -0.268 3.706 3.960 0.023 0.000 0.264 57 G HA3 -0.268 3.706 3.960 0.023 0.000 0.264 57 G C 0.488 175.375 174.900 -0.021 0.000 0.975 57 G CA -0.211 44.887 45.100 -0.005 0.000 0.642 57 G HN 0.555 nan 8.290 nan 0.000 0.536 58 R N 0.034 120.520 120.500 -0.024 0.000 2.647 58 R HA 0.265 4.619 4.340 0.023 0.000 0.295 58 R C 0.365 176.537 176.300 -0.213 0.000 1.267 58 R CA -0.447 55.601 56.100 -0.086 0.000 1.386 58 R CB 0.350 30.654 30.300 0.006 0.000 1.309 58 R HN 0.272 nan 8.270 nan 0.000 0.692 59 R N -0.058 120.313 120.500 -0.215 0.000 2.549 59 R HA 0.303 4.656 4.340 0.023 0.000 0.267 59 R C 0.371 176.436 176.300 -0.391 0.000 1.045 59 R CA -0.426 55.541 56.100 -0.221 0.000 1.115 59 R CB 0.544 30.821 30.300 -0.039 0.000 1.121 59 R HN 0.151 nan 8.270 nan 0.000 0.543 60 Y N -0.493 119.834 120.300 0.046 0.000 2.524 60 Y HA 0.267 4.830 4.550 0.022 0.000 0.266 60 Y C -0.417 175.289 175.900 -0.323 0.000 1.180 60 Y CA -0.112 57.928 58.100 -0.101 0.000 1.244 60 Y CB 0.257 38.649 38.460 -0.113 0.000 1.125 60 Y HN 0.384 nan 8.280 nan 0.000 0.524 61 Y N -0.873 119.455 120.300 0.047 0.000 2.492 61 Y HA 0.595 5.162 4.550 0.028 0.000 0.346 61 Y C 0.778 176.673 175.900 -0.008 0.000 0.997 61 Y CA -1.825 56.292 58.100 0.028 0.000 1.025 61 Y CB 1.350 39.835 38.460 0.043 0.000 1.263 61 Y HN -0.013 nan 8.280 nan 0.000 0.454 62 G N 0.120 109.001 108.800 0.135 0.000 2.651 62 G HA2 0.388 4.362 3.960 0.023 0.000 0.260 62 G HA3 0.388 4.362 3.960 0.023 0.000 0.260 62 G C 0.855 175.788 174.900 0.056 0.000 1.216 62 G CA -0.008 45.129 45.100 0.061 0.000 0.913 62 G HN 1.457 nan 8.290 nan 0.000 0.535 63 G N -2.215 106.583 108.800 -0.003 0.000 2.153 63 G HA2 -0.292 3.682 3.960 0.023 0.000 0.252 63 G HA3 -0.292 3.682 3.960 0.023 0.000 0.252 63 G C 0.900 175.763 174.900 -0.063 0.000 0.994 63 G CA 0.579 45.661 45.100 -0.030 0.000 0.698 63 G HN 0.933 nan 8.290 nan 0.000 0.521 64 C N 0.242 119.499 119.300 -0.071 0.000 2.673 64 C HA 0.330 4.804 4.460 0.023 0.000 0.274 64 C C 2.288 177.188 174.990 -0.151 0.000 1.276 64 C CA 0.429 59.402 59.018 -0.074 0.000 1.701 64 C CB -0.576 27.145 27.740 -0.031 0.000 1.836 64 C HN 0.647 nan 8.230 nan 0.000 0.596 65 E N 0.800 120.811 120.200 -0.314 0.000 2.097 65 E HA -0.217 4.147 4.350 0.023 0.000 0.196 65 E C 1.222 177.604 176.600 -0.364 0.000 1.000 65 E CA 1.900 58.035 56.400 -0.442 0.000 0.804 65 E CB -0.240 29.002 29.700 -0.764 0.000 0.740 65 E HN 0.810 nan 8.360 nan 0.000 0.454 66 Y N -0.872 119.428 120.300 0.001 0.000 2.301 66 Y HA -0.037 4.526 4.550 0.023 0.000 0.295 66 Y C 2.332 178.229 175.900 -0.006 0.000 1.119 66 Y CA 0.372 58.470 58.100 -0.003 0.000 1.162 66 Y CB -0.269 38.188 38.460 -0.006 0.000 1.046 66 Y HN 0.008 nan 8.280 nan 0.000 0.538 67 V N -1.683 118.291 119.914 0.100 0.000 2.594 67 V HA -0.209 3.925 4.120 0.023 0.000 0.253 67 V C 1.350 177.459 176.094 0.024 0.000 1.069 67 V CA 2.054 64.381 62.300 0.045 0.000 1.082 67 V CB -0.473 31.356 31.823 0.010 0.000 0.680 67 V HN 0.195 nan 8.190 nan 0.000 0.469 68 D N 0.959 121.363 120.400 0.008 0.000 2.117 68 D HA -0.078 4.576 4.640 0.023 0.000 0.197 68 D C 2.059 178.380 176.300 0.034 0.000 0.987 68 D CA 1.959 55.965 54.000 0.011 0.000 0.829 68 D CB -0.290 40.502 40.800 -0.014 0.000 0.961 68 D HN 0.537 nan 8.370 nan 0.000 0.460 69 I N 0.204 120.804 120.570 0.050 0.000 2.163 69 I HA -0.248 3.935 4.170 0.023 0.000 0.243 69 I C 2.391 178.540 176.117 0.053 0.000 1.085 69 I CA 0.642 61.980 61.300 0.063 0.000 1.347 69 I CB -0.189 37.871 38.000 0.099 0.000 1.044 69 I HN -0.093 nan 8.210 nan 0.000 0.408 70 V N 0.618 120.562 119.914 0.050 0.000 2.261 70 V HA -0.325 3.809 4.120 0.023 0.000 0.246 70 V C 2.496 178.605 176.094 0.025 0.000 1.047 70 V CA 2.299 64.617 62.300 0.029 0.000 1.015 70 V CB -0.630 31.206 31.823 0.021 0.000 0.642 70 V HN 0.487 nan 8.190 nan 0.000 0.446 71 E N -0.189 120.029 120.200 0.029 0.000 2.110 71 E HA -0.293 4.071 4.350 0.023 0.000 0.193 71 E C 2.162 178.800 176.600 0.063 0.000 0.988 71 E CA 1.530 57.955 56.400 0.041 0.000 0.804 71 E CB -0.038 29.689 29.700 0.044 0.000 0.745 71 E HN 0.585 nan 8.360 nan 0.000 0.458 72 E N 0.372 120.608 120.200 0.060 0.000 2.106 72 E HA -0.122 4.242 4.350 0.023 0.000 0.192 72 E C 2.015 178.652 176.600 0.063 0.000 0.984 72 E CA 0.806 57.243 56.400 0.062 0.000 0.806 72 E CB -0.157 29.575 29.700 0.054 0.000 0.750 72 E HN 0.308 nan 8.360 nan 0.000 0.458 73 L N -0.226 121.032 121.223 0.057 0.000 2.012 73 L HA -0.225 4.129 4.340 0.023 0.000 0.210 73 L C 2.469 179.400 176.870 0.101 0.000 1.073 73 L CA 1.310 56.187 54.840 0.061 0.000 0.748 73 L CB -0.648 41.436 42.059 0.041 0.000 0.891 73 L HN 0.204 nan 8.230 nan 0.000 0.431 74 A N 0.102 122.985 122.820 0.106 0.000 1.865 74 A HA -0.235 4.099 4.320 0.023 0.000 0.217 74 A C 2.390 180.144 177.584 0.284 0.000 1.191 74 A CA 1.783 53.947 52.037 0.212 0.000 0.623 74 A CB -0.542 18.520 19.000 0.103 0.000 0.826 74 A HN 0.338 nan 8.150 nan 0.000 0.444 75 R N -0.785 119.804 120.500 0.148 0.000 2.073 75 R HA -0.096 4.258 4.340 0.023 0.000 0.234 75 R C 2.095 178.423 176.300 0.047 0.000 1.134 75 R CA 1.321 57.467 56.100 0.076 0.000 0.952 75 R CB -0.337 29.979 30.300 0.027 0.000 0.850 75 R HN 0.494 nan 8.270 nan 0.000 0.433 76 E N 0.688 120.922 120.200 0.057 0.000 2.072 76 E HA -0.140 4.224 4.350 0.023 0.000 0.191 76 E C 2.041 178.657 176.600 0.027 0.000 0.985 76 E CA 1.112 57.534 56.400 0.036 0.000 0.801 76 E CB -0.079 29.643 29.700 0.037 0.000 0.750 76 E HN 0.303 nan 8.360 nan 0.000 0.452 77 R N 0.498 121.037 120.500 0.064 0.000 2.092 77 R HA 0.006 4.360 4.340 0.023 0.000 0.231 77 R C 2.337 178.593 176.300 -0.073 0.000 1.119 77 R CA 1.065 57.192 56.100 0.044 0.000 0.970 77 R CB -0.269 30.122 30.300 0.152 0.000 0.864 77 R HN 0.091 nan 8.270 nan 0.000 0.440 78 A N 1.573 124.325 122.820 -0.113 0.000 1.902 78 A HA -0.202 4.132 4.320 0.023 0.000 0.217 78 A C 1.874 179.411 177.584 -0.077 0.000 1.181 78 A CA 1.444 53.302 52.037 -0.298 0.000 0.623 78 A CB -0.242 18.576 19.000 -0.303 0.000 0.818 78 A HN 0.188 nan 8.150 nan 0.000 0.443 79 K N -0.479 119.898 120.400 -0.039 0.000 2.057 79 K HA -0.163 4.171 4.320 0.023 0.000 0.207 79 K C 2.342 178.925 176.600 -0.028 0.000 1.049 79 K CA 1.622 57.904 56.287 -0.007 0.000 0.931 79 K CB -0.202 32.297 32.500 -0.002 0.000 0.714 79 K HN 0.615 nan 8.250 nan 0.000 0.440 80 Q N 0.320 120.086 119.800 -0.057 0.000 2.084 80 Q HA -0.171 4.183 4.340 0.023 0.000 0.202 80 Q C 2.054 177.962 176.000 -0.153 0.000 0.978 80 Q CA 1.060 56.816 55.803 -0.078 0.000 0.844 80 Q CB -0.112 28.585 28.738 -0.068 0.000 0.898 80 Q HN 0.140 nan 8.270 nan 0.000 0.426 81 L N -0.885 120.172 121.223 -0.276 0.000 2.093 81 L HA -0.111 4.243 4.340 0.023 0.000 0.208 81 L C 1.320 177.778 176.870 -0.687 0.000 1.085 81 L CA 1.817 56.314 54.840 -0.571 0.000 0.755 81 L CB -0.168 41.357 42.059 -0.889 0.000 0.904 81 L HN 0.161 nan 8.230 nan 0.000 0.435 82 F N -1.462 118.421 119.950 -0.111 0.000 2.728 82 F HA 0.406 4.946 4.527 0.021 0.000 0.314 82 F C 1.691 177.456 175.800 -0.060 0.000 1.094 82 F CA 0.246 58.196 58.000 -0.084 0.000 1.217 82 F CB -0.226 38.703 39.000 -0.118 0.000 1.056 82 F HN 0.059 nan 8.300 nan 0.000 0.577 83 G N 1.310 110.150 108.800 0.067 0.000 2.198 83 G HA2 -0.129 3.845 3.960 0.023 0.000 0.260 83 G HA3 -0.129 3.845 3.960 0.023 0.000 0.260 83 G C 0.328 175.251 174.900 0.038 0.000 1.025 83 G CA 0.085 45.206 45.100 0.034 0.000 0.769 83 G HN 0.654 nan 8.290 nan 0.000 0.507 84 A N -0.747 122.106 122.820 0.056 0.000 2.322 84 A HA 0.741 5.074 4.320 0.023 0.000 0.269 84 A C 1.075 178.682 177.584 0.038 0.000 1.094 84 A CA 0.596 52.656 52.037 0.038 0.000 0.807 84 A CB 0.527 19.546 19.000 0.031 0.000 1.047 84 A HN 0.410 nan 8.150 nan 0.000 0.487 85 E N -0.727 119.503 120.200 0.050 0.000 2.158 85 E HA -0.033 4.331 4.350 0.023 0.000 0.191 85 E C -0.159 176.520 176.600 0.131 0.000 0.982 85 E CA 0.972 57.411 56.400 0.066 0.000 0.823 85 E CB 0.078 29.808 29.700 0.049 0.000 0.766 85 E HN 0.743 nan 8.360 nan 0.000 0.468 86 H N -1.113 117.968 119.070 0.020 0.000 2.894 86 H HA 0.568 5.139 4.556 0.024 0.000 0.367 86 H C -1.745 173.602 175.328 0.031 0.000 1.144 86 H CA -0.603 55.460 56.048 0.025 0.000 1.180 86 H CB 1.666 31.447 29.762 0.031 0.000 1.758 86 H HN -0.012 nan 8.280 nan 0.000 0.541 87 A N 3.920 126.388 122.820 -0.587 0.000 2.386 87 A HA 0.456 4.790 4.320 0.023 0.000 0.311 87 A C -1.116 176.162 177.584 -0.510 0.000 1.068 87 A CA -0.863 50.946 52.037 -0.380 0.000 0.743 87 A CB 1.244 20.146 19.000 -0.164 0.000 1.258 87 A HN 0.717 nan 8.150 nan 0.000 0.429 88 N N 1.952 120.546 118.700 -0.176 0.000 2.483 88 N HA 0.304 5.058 4.740 0.023 0.000 0.267 88 N C 0.101 175.647 175.510 0.059 0.000 0.998 88 N CA -0.167 52.883 53.050 -0.000 0.000 0.918 88 N CB 1.900 40.457 38.487 0.118 0.000 1.215 88 N HN 0.709 nan 8.380 nan 0.000 0.500 89 V N 1.357 121.329 119.914 0.096 0.000 3.542 89 V HA 0.203 4.337 4.120 0.023 0.000 0.296 89 V C 1.304 177.436 176.094 0.063 0.000 1.364 89 V CA 0.363 62.728 62.300 0.108 0.000 1.118 89 V CB -0.117 31.796 31.823 0.151 0.000 0.972 89 V HN 0.539 nan 8.190 nan 0.000 0.430 90 Q N 0.692 120.529 119.800 0.061 0.000 2.389 90 Q HA 0.158 4.512 4.340 0.023 0.000 0.204 90 Q C -1.556 174.382 176.000 -0.102 0.000 0.944 90 Q CA -0.333 55.459 55.803 -0.018 0.000 0.908 90 Q CB -0.840 27.884 28.738 -0.024 0.000 1.002 90 Q HN 0.565 nan 8.270 nan 0.000 0.493 91 P HA -0.091 nan 4.420 nan 0.000 0.264 91 P C -0.089 177.174 177.300 -0.062 0.000 1.193 91 P CA 0.506 63.542 63.100 -0.107 0.000 0.763 91 P CB 0.446 32.126 31.700 -0.033 0.000 0.810 92 H N 0.488 119.550 119.070 -0.013 0.000 2.521 92 H HA 0.018 4.588 4.556 0.023 0.000 0.286 92 H C 0.973 176.293 175.328 -0.012 0.000 1.034 92 H CA 1.117 57.147 56.048 -0.030 0.000 1.278 92 H CB 0.072 29.811 29.762 -0.038 0.000 1.386 92 H HN 0.508 nan 8.280 nan 0.000 0.567 93 S N -2.938 112.832 115.700 0.117 0.000 2.636 93 S HA 0.374 4.858 4.470 0.023 0.000 0.266 93 S C 1.282 175.934 174.600 0.086 0.000 1.147 93 S CA -0.376 57.892 58.200 0.113 0.000 0.815 93 S CB 0.988 64.248 63.200 0.101 0.000 1.119 93 S HN 0.096 nan 8.310 nan 0.000 0.470 94 G N 0.856 109.714 108.800 0.097 0.000 2.418 94 G HA2 0.085 4.059 3.960 0.023 0.000 0.217 94 G HA3 0.085 4.059 3.960 0.023 0.000 0.217 94 G C 1.568 176.508 174.900 0.066 0.000 1.158 94 G CA 1.289 46.409 45.100 0.034 0.000 0.771 94 G HN 1.417 nan 8.290 nan 0.000 0.545 95 A N 0.304 123.198 122.820 0.123 0.000 1.873 95 A HA -0.186 4.148 4.320 0.023 0.000 0.218 95 A C 2.383 180.033 177.584 0.110 0.000 1.193 95 A CA 2.368 54.524 52.037 0.199 0.000 0.629 95 A CB -0.494 18.624 19.000 0.197 0.000 0.826 95 A HN 0.362 nan 8.150 nan 0.000 0.447 96 Q N -0.721 119.096 119.800 0.028 0.000 2.172 96 Q HA 0.146 4.500 4.340 0.023 0.000 0.200 96 Q C 2.295 178.263 176.000 -0.052 0.000 0.964 96 Q CA 1.511 57.287 55.803 -0.046 0.000 0.855 96 Q CB -0.624 28.090 28.738 -0.041 0.000 0.918 96 Q HN 0.658 nan 8.270 nan 0.000 0.444 97 A N 0.872 123.675 122.820 -0.029 0.000 1.858 97 A HA -0.239 4.095 4.320 0.023 0.000 0.216 97 A C 1.801 179.322 177.584 -0.104 0.000 1.190 97 A CA 1.817 53.823 52.037 -0.051 0.000 0.617 97 A CB -0.639 18.338 19.000 -0.038 0.000 0.827 97 A HN 0.341 nan 8.150 nan 0.000 0.443 98 N N -0.619 118.020 118.700 -0.100 0.000 2.084 98 N HA -0.153 4.601 4.740 0.023 0.000 0.190 98 N C 1.728 176.996 175.510 -0.404 0.000 1.030 98 N CA 1.679 54.555 53.050 -0.290 0.000 0.849 98 N CB -0.537 37.873 38.487 -0.128 0.000 1.012 98 N HN 0.625 nan 8.380 nan 0.000 0.423 99 M N 0.591 120.192 119.600 0.002 0.000 2.106 99 M HA -0.183 4.311 4.480 0.023 0.000 0.259 99 M C 1.835 178.171 176.300 0.060 0.000 1.068 99 M CA 1.778 57.139 55.300 0.103 0.000 1.100 99 M CB -0.036 32.399 32.600 -0.275 0.000 1.351 99 M HN 0.201 nan 8.290 nan 0.000 0.404 100 A N -0.637 122.157 122.820 -0.045 0.000 1.902 100 A HA -0.106 4.228 4.320 0.023 0.000 0.217 100 A C 2.016 179.583 177.584 -0.028 0.000 1.181 100 A CA 1.793 53.829 52.037 -0.001 0.000 0.623 100 A CB -1.048 17.937 19.000 -0.025 0.000 0.818 100 A HN 0.424 nan 8.150 nan 0.000 0.443 101 V N -0.946 118.847 119.914 -0.202 0.000 2.295 101 V HA -0.268 3.866 4.120 0.023 0.000 0.246 101 V C 2.445 178.371 176.094 -0.280 0.000 1.049 101 V CA 1.891 63.940 62.300 -0.417 0.000 1.024 101 V CB -1.135 30.377 31.823 -0.518 0.000 0.648 101 V HN 0.629 nan 8.190 nan 0.000 0.447 102 Y N -0.799 119.430 120.300 -0.118 0.000 2.165 102 Y HA -0.227 4.338 4.550 0.025 0.000 0.286 102 Y C 2.304 178.197 175.900 -0.012 0.000 1.155 102 Y CA 1.059 59.072 58.100 -0.144 0.000 1.164 102 Y CB -1.284 37.195 38.460 0.031 0.000 0.978 102 Y HN 0.284 nan 8.280 nan 0.000 0.513 103 F N 0.669 120.714 119.950 0.158 0.000 2.216 103 F HA -0.199 4.343 4.527 0.025 0.000 0.300 103 F C 2.173 177.979 175.800 0.009 0.000 1.085 103 F CA 1.821 59.897 58.000 0.126 0.000 1.326 103 F CB -0.459 38.593 39.000 0.087 0.000 1.027 103 F HN -0.040 nan 8.300 nan 0.000 0.497 104 T N -0.551 113.980 114.554 -0.038 0.000 2.770 104 T HA -0.108 4.256 4.350 0.023 0.000 0.263 104 T C 1.932 176.488 174.700 -0.240 0.000 1.039 104 T CA 1.993 63.994 62.100 -0.165 0.000 1.142 104 T CB -0.479 68.236 68.868 -0.255 0.000 0.868 104 T HN 0.237 nan 8.240 nan 0.000 0.435 105 V N -1.746 117.973 119.914 -0.325 0.000 3.645 105 V HA 0.482 4.616 4.120 0.023 0.000 0.275 105 V C 0.410 176.394 176.094 -0.184 0.000 1.356 105 V CA -0.155 61.942 62.300 -0.339 0.000 1.051 105 V CB -0.504 30.891 31.823 -0.715 0.000 0.828 105 V HN 0.226 nan 8.190 nan 0.000 0.441 106 L N 2.037 123.161 121.223 -0.165 0.000 2.334 106 L HA 0.664 5.018 4.340 0.023 0.000 0.273 106 L C 0.017 176.916 176.870 0.048 0.000 1.013 106 L CA -0.630 54.151 54.840 -0.098 0.000 0.816 106 L CB 1.861 43.717 42.059 -0.339 0.000 1.278 106 L HN 0.388 nan 8.230 nan 0.000 0.431 107 E N 0.844 121.103 120.200 0.099 0.000 2.227 107 E HA 0.217 4.581 4.350 0.023 0.000 0.268 107 E C -0.429 176.331 176.600 0.268 0.000 0.990 107 E CA -0.827 55.663 56.400 0.149 0.000 0.856 107 E CB 1.244 30.993 29.700 0.081 0.000 1.159 107 E HN 0.565 nan 8.360 nan 0.000 0.401 108 H N 0.752 119.894 119.070 0.120 0.000 3.167 108 H HA -0.042 4.528 4.556 0.023 0.000 0.306 108 H C 0.936 176.296 175.328 0.054 0.000 0.965 108 H CA 2.284 58.349 56.048 0.028 0.000 1.408 108 H CB 0.211 29.964 29.762 -0.015 0.000 1.406 108 H HN 0.939 nan 8.280 nan 0.000 0.576 109 G N 4.465 112.997 108.800 -0.447 0.000 2.195 109 G HA2 -0.255 3.719 3.960 0.023 0.000 0.246 109 G HA3 -0.255 3.719 3.960 0.023 0.000 0.246 109 G C 0.074 174.925 174.900 -0.081 0.000 0.984 109 G CA 0.234 45.145 45.100 -0.315 0.000 0.633 109 G HN 0.692 nan 8.290 nan 0.000 0.525 110 D N 1.429 121.843 120.400 0.023 0.000 2.449 110 D HA 0.404 5.058 4.640 0.023 0.000 0.236 110 D C 0.855 177.105 176.300 -0.084 0.000 1.149 110 D CA 0.842 54.835 54.000 -0.011 0.000 0.878 110 D CB 0.672 41.465 40.800 -0.012 0.000 1.198 110 D HN 0.128 nan 8.370 nan 0.000 0.446 111 T N 1.401 115.886 114.554 -0.115 0.000 2.832 111 T HA 0.396 4.760 4.350 0.023 0.000 0.296 111 T C 0.021 174.538 174.700 -0.304 0.000 0.968 111 T CA -0.516 61.476 62.100 -0.180 0.000 1.107 111 T CB 0.724 69.536 68.868 -0.093 0.000 0.916 111 T HN -0.005 nan 8.240 nan 0.000 0.517 112 V N 4.252 123.837 119.914 -0.548 0.000 2.735 112 V HA 0.531 4.665 4.120 0.023 0.000 0.310 112 V C -0.657 175.094 176.094 -0.571 0.000 1.061 112 V CA -1.059 60.796 62.300 -0.741 0.000 0.913 112 V CB 1.957 32.873 31.823 -1.511 0.000 1.005 112 V HN 0.663 nan 8.190 nan 0.000 0.428 113 L N 3.864 124.945 121.223 -0.237 0.000 2.280 113 L HA 0.945 5.299 4.340 0.023 0.000 0.287 113 L C 0.242 177.208 176.870 0.160 0.000 1.023 113 L CA 0.496 55.342 54.840 0.009 0.000 0.819 113 L CB 0.859 43.002 42.059 0.141 0.000 1.212 113 L HN 0.807 nan 8.230 nan 0.000 0.420 114 G N 3.968 112.858 108.800 0.150 0.000 2.730 114 G HA2 0.441 4.415 3.960 0.023 0.000 0.289 114 G HA3 0.441 4.415 3.960 0.023 0.000 0.289 114 G C -1.147 173.402 174.900 -0.586 0.000 1.341 114 G CA -0.983 44.151 45.100 0.056 0.000 0.932 114 G HN 0.642 nan 8.290 nan 0.000 0.481 115 M N 1.701 120.886 119.600 -0.691 0.000 2.219 115 M HA 0.131 4.625 4.480 0.023 0.000 0.353 115 M C 0.636 176.645 176.300 -0.485 0.000 1.304 115 M CA -0.594 54.137 55.300 -0.948 0.000 1.115 115 M CB 0.360 32.743 32.600 -0.361 0.000 1.664 115 M HN 0.596 nan 8.290 nan 0.000 0.459 116 N N 4.514 122.905 118.700 -0.515 0.000 2.301 116 N HA -0.094 4.659 4.740 0.023 0.000 0.267 116 N C 0.665 176.008 175.510 -0.278 0.000 1.304 116 N CA 0.361 53.154 53.050 -0.428 0.000 0.851 116 N CB 0.486 38.519 38.487 -0.757 0.000 1.070 116 N HN 0.791 nan 8.380 nan 0.000 0.483 117 L N 2.386 123.471 121.223 -0.229 0.000 2.191 117 L HA -0.128 4.226 4.340 0.023 0.000 0.212 117 L C 1.717 178.508 176.870 -0.131 0.000 1.103 117 L CA 0.928 55.665 54.840 -0.172 0.000 0.769 117 L CB -0.348 41.595 42.059 -0.194 0.000 0.908 117 L HN 0.487 nan 8.230 nan 0.000 0.438 118 S N -2.190 113.432 115.700 -0.130 0.000 2.593 118 S HA 0.008 4.492 4.470 0.023 0.000 0.217 118 S C 1.258 175.926 174.600 0.113 0.000 0.966 118 S CA 0.111 58.289 58.200 -0.037 0.000 0.914 118 S CB -0.162 63.013 63.200 -0.042 0.000 0.776 118 S HN 0.543 nan 8.310 nan 0.000 0.523 119 H N -0.680 118.295 119.070 -0.159 0.000 2.755 119 H HA 0.315 4.885 4.556 0.023 0.000 0.273 119 H C 1.564 176.862 175.328 -0.049 0.000 1.055 119 H CA 0.170 56.145 56.048 -0.123 0.000 1.191 119 H CB 0.851 30.524 29.762 -0.149 0.000 1.536 119 H HN 0.495 nan 8.280 nan 0.000 0.529 120 G N 0.597 109.432 108.800 0.057 0.000 2.738 120 G HA2 -0.189 3.785 3.960 0.023 0.000 0.195 120 G HA3 -0.189 3.785 3.960 0.023 0.000 0.195 120 G C 0.731 175.653 174.900 0.036 0.000 1.001 120 G CA -0.350 44.783 45.100 0.054 0.000 0.759 120 G HN 0.497 nan 8.290 nan 0.000 0.494 121 G N 0.039 108.841 108.800 0.004 0.000 2.554 121 G HA2 0.436 4.410 3.960 0.023 0.000 0.238 121 G HA3 0.436 4.410 3.960 0.023 0.000 0.238 121 G C -0.113 174.771 174.900 -0.025 0.000 1.259 121 G CA 0.249 45.386 45.100 0.062 0.000 0.843 121 G HN 0.481 nan 8.290 nan 0.000 0.582 122 H N 1.349 120.233 119.070 -0.311 0.000 2.505 122 H HA 0.118 4.688 4.556 0.023 0.000 0.355 122 H C 1.461 176.522 175.328 -0.444 0.000 1.179 122 H CA -0.870 54.865 56.048 -0.522 0.000 1.343 122 H CB 1.572 30.832 29.762 -0.837 0.000 1.501 122 H HN 0.322 nan 8.280 nan 0.000 0.569 123 L N 2.901 123.450 121.223 -1.125 0.000 2.051 123 L HA -0.237 4.117 4.340 0.023 0.000 0.214 123 L C 2.382 178.913 176.870 -0.565 0.000 1.076 123 L CA 2.644 57.016 54.840 -0.780 0.000 0.758 123 L CB -0.746 40.846 42.059 -0.779 0.000 0.890 123 L HN 0.856 nan 8.230 nan 0.000 0.433 124 T N -4.652 109.633 114.554 -0.449 0.000 3.148 124 T HA -0.023 4.341 4.350 0.023 0.000 0.253 124 T C 0.873 175.561 174.700 -0.019 0.000 1.134 124 T CA 0.314 62.326 62.100 -0.147 0.000 1.051 124 T CB -0.683 68.317 68.868 0.219 0.000 0.959 124 T HN 0.404 nan 8.240 nan 0.000 0.525 125 H N 0.849 119.777 119.070 -0.237 0.000 2.550 125 H HA 0.528 5.098 4.556 0.023 0.000 0.304 125 H C 1.604 176.352 175.328 -0.968 0.000 1.086 125 H CA -0.791 55.071 56.048 -0.311 0.000 1.089 125 H CB -0.098 29.631 29.762 -0.056 0.000 1.528 125 H HN 0.573 nan 8.280 nan 0.000 0.539 126 G N -0.069 107.986 108.800 -1.242 0.000 2.173 126 G HA2 -0.242 3.732 3.960 0.023 0.000 0.142 126 G HA3 -0.242 3.732 3.960 0.023 0.000 0.142 126 G C 0.367 174.915 174.900 -0.587 0.000 1.019 126 G CA 0.048 44.284 45.100 -1.439 0.000 0.699 126 G HN 0.460 nan 8.290 nan 0.000 0.495 127 S N 1.334 116.760 115.700 -0.458 0.000 2.552 127 S HA 0.387 4.871 4.470 0.023 0.000 0.289 127 S C -0.053 174.416 174.600 -0.219 0.000 1.304 127 S CA 0.128 58.154 58.200 -0.290 0.000 1.063 127 S CB 1.129 64.168 63.200 -0.267 0.000 0.848 127 S HN 0.178 nan 8.310 nan 0.000 0.499 128 P HA 0.022 nan 4.420 nan 0.000 0.237 128 P C 0.894 178.158 177.300 -0.060 0.000 1.178 128 P CA 0.555 63.603 63.100 -0.086 0.000 0.766 128 P CB -0.283 31.383 31.700 -0.057 0.000 0.876 129 V N -4.401 115.473 119.914 -0.066 0.000 3.483 129 V HA 0.293 4.427 4.120 0.023 0.000 0.301 129 V C 0.646 176.721 176.094 -0.031 0.000 1.389 129 V CA -0.459 61.822 62.300 -0.032 0.000 1.101 129 V CB -0.869 30.948 31.823 -0.010 0.000 0.971 129 V HN 0.011 nan 8.190 nan 0.000 0.434 130 N N 0.588 119.239 118.700 -0.082 0.000 2.443 130 N HA 0.253 5.007 4.740 0.023 0.000 0.293 130 N C 0.998 176.466 175.510 -0.069 0.000 1.159 130 N CA -0.145 52.859 53.050 -0.077 0.000 0.904 130 N CB 2.205 40.563 38.487 -0.214 0.000 1.214 130 N HN 0.199 nan 8.380 nan 0.000 0.513 131 F N 2.136 122.098 119.950 0.019 0.000 2.154 131 F HA -0.195 4.346 4.527 0.023 0.000 0.301 131 F C 2.311 178.155 175.800 0.073 0.000 1.087 131 F CA 1.530 59.558 58.000 0.047 0.000 1.274 131 F CB -1.043 38.009 39.000 0.086 0.000 1.009 131 F HN 0.452 nan 8.300 nan 0.000 0.485 132 S N 0.513 115.651 115.700 -0.937 0.000 2.359 132 S HA -0.104 4.380 4.470 0.023 0.000 0.224 132 S C 2.276 176.780 174.600 -0.161 0.000 1.035 132 S CA 1.122 59.004 58.200 -0.530 0.000 1.018 132 S CB -1.713 61.023 63.200 -0.774 0.000 0.876 132 S HN 0.583 nan 8.310 nan 0.000 0.448 133 G N 0.277 108.907 108.800 -0.282 0.000 2.551 133 G HA2 0.129 4.103 3.960 0.023 0.000 0.216 133 G HA3 0.129 4.103 3.960 0.023 0.000 0.216 133 G C 1.310 176.192 174.900 -0.030 0.000 1.137 133 G CA 0.588 45.619 45.100 -0.115 0.000 0.798 133 G HN 0.472 nan 8.290 nan 0.000 0.536 134 V N 0.093 119.979 119.914 -0.046 0.000 2.535 134 V HA -0.071 4.063 4.120 0.023 0.000 0.246 134 V C 2.567 178.637 176.094 -0.040 0.000 1.045 134 V CA 1.944 64.236 62.300 -0.014 0.000 1.058 134 V CB 0.348 32.184 31.823 0.021 0.000 0.689 134 V HN 0.422 nan 8.190 nan 0.000 0.461 135 Q N -0.788 118.937 119.800 -0.124 0.000 2.250 135 Q HA 0.052 4.406 4.340 0.023 0.000 0.200 135 Q C -0.078 175.520 176.000 -0.670 0.000 0.941 135 Q CA 1.031 56.616 55.803 -0.363 0.000 0.872 135 Q CB 0.202 28.617 28.738 -0.538 0.000 0.965 135 Q HN 0.637 nan 8.270 nan 0.000 0.480 136 Y N -0.733 119.575 120.300 0.014 0.000 2.570 136 Y HA 0.411 4.975 4.550 0.022 0.000 0.345 136 Y C -0.535 175.347 175.900 -0.029 0.000 1.014 136 Y CA -1.886 56.173 58.100 -0.069 0.000 1.063 136 Y CB 0.836 39.221 38.460 -0.125 0.000 1.272 136 Y HN -0.156 nan 8.280 nan 0.000 0.477 137 N N 1.376 120.091 118.700 0.024 0.000 2.719 137 N HA 0.216 4.970 4.740 0.023 0.000 0.243 137 N C -1.742 173.714 175.510 -0.091 0.000 1.104 137 N CA -0.107 52.928 53.050 -0.026 0.000 0.981 137 N CB -0.349 38.097 38.487 -0.069 0.000 1.290 137 N HN 0.408 nan 8.380 nan 0.000 0.513 138 F N 2.376 122.263 119.950 -0.106 0.000 2.427 138 F HA 0.246 4.787 4.527 0.023 0.000 0.352 138 F C 0.772 176.469 175.800 -0.170 0.000 1.100 138 F CA -0.424 57.496 58.000 -0.134 0.000 1.191 138 F CB 0.814 39.733 39.000 -0.134 0.000 1.128 138 F HN 0.126 nan 8.300 nan 0.000 0.533 139 V N 0.737 120.598 119.914 -0.089 0.000 3.019 139 V HA 0.986 5.120 4.120 0.023 0.000 0.317 139 V C -0.569 175.483 176.094 -0.070 0.000 1.094 139 V CA -1.154 61.038 62.300 -0.180 0.000 1.000 139 V CB 1.412 32.929 31.823 -0.509 0.000 1.060 139 V HN 0.884 nan 8.190 nan 0.000 0.443 140 A N 1.945 124.710 122.820 -0.091 0.000 2.386 140 A HA 0.910 5.244 4.320 0.023 0.000 0.311 140 A C -0.983 176.567 177.584 -0.057 0.000 1.068 140 A CA -0.729 51.225 52.037 -0.138 0.000 0.743 140 A CB 1.415 20.288 19.000 -0.211 0.000 1.258 140 A HN 1.520 nan 8.150 nan 0.000 0.429 141 Y N 0.099 120.391 120.300 -0.014 0.000 2.453 141 Y HA 0.824 5.388 4.550 0.023 0.000 0.326 141 Y C 0.485 176.355 175.900 -0.049 0.000 1.186 141 Y CA -0.863 57.228 58.100 -0.015 0.000 1.200 141 Y CB 0.929 39.389 38.460 0.001 0.000 1.247 141 Y HN 0.770 nan 8.280 nan 0.000 0.482 142 G N 0.393 109.312 108.800 0.199 0.000 2.644 142 G HA2 0.577 4.551 3.960 0.023 0.000 0.307 142 G HA3 0.577 4.551 3.960 0.023 0.000 0.307 142 G C -0.961 174.147 174.900 0.347 0.000 1.250 142 G CA -0.731 44.519 45.100 0.250 0.000 0.996 142 G HN 1.077 nan 8.290 nan 0.000 0.489 143 V N -1.651 118.536 119.914 0.455 0.000 2.863 143 V HA 0.476 4.610 4.120 0.023 0.000 0.307 143 V C 0.272 176.554 176.094 0.313 0.000 1.061 143 V CA -1.122 61.340 62.300 0.270 0.000 1.024 143 V CB 1.716 33.675 31.823 0.226 0.000 1.049 143 V HN 0.691 nan 8.190 nan 0.000 0.471 144 D N 3.801 124.329 120.400 0.212 0.000 2.458 144 D HA 0.115 4.769 4.640 0.023 0.000 0.243 144 D C -1.531 174.850 176.300 0.135 0.000 1.146 144 D CA -1.106 52.979 54.000 0.141 0.000 0.877 144 D CB 1.967 42.806 40.800 0.065 0.000 1.176 144 D HN 0.510 nan 8.370 nan 0.000 0.461 145 P HA -0.094 nan 4.420 nan 0.000 0.225 145 P C 0.549 177.750 177.300 -0.164 0.000 1.148 145 P CA 0.950 63.910 63.100 -0.233 0.000 0.779 145 P CB 0.609 31.938 31.700 -0.619 0.000 0.780 146 E N -0.634 119.440 120.200 -0.210 0.000 2.110 146 E HA -0.039 4.325 4.350 0.023 0.000 0.193 146 E C 2.100 178.412 176.600 -0.480 0.000 0.950 146 E CA 1.599 57.827 56.400 -0.287 0.000 0.840 146 E CB -1.165 28.441 29.700 -0.157 0.000 0.809 146 E HN 0.255 nan 8.360 nan 0.000 0.465 147 T N -2.705 111.673 114.554 -0.293 0.000 3.043 147 T HA -0.051 4.313 4.350 0.023 0.000 0.263 147 T C 0.210 174.819 174.700 -0.153 0.000 1.094 147 T CA 0.937 62.915 62.100 -0.204 0.000 1.127 147 T CB -0.415 68.425 68.868 -0.046 0.000 0.905 147 T HN 0.376 nan 8.240 nan 0.000 0.490 148 H N -0.860 118.261 119.070 0.085 0.000 3.047 148 H HA -0.107 4.463 4.556 0.023 0.000 0.263 148 H C -0.396 175.059 175.328 0.212 0.000 1.168 148 H CA 0.114 56.233 56.048 0.118 0.000 1.152 148 H CB -2.402 27.405 29.762 0.076 0.000 1.278 148 H HN 0.351 nan 8.280 nan 0.000 0.339 149 V N 1.379 121.455 119.914 0.270 0.000 2.567 149 V HA 0.138 4.272 4.120 0.023 0.000 0.289 149 V C 1.353 177.600 176.094 0.255 0.000 1.049 149 V CA -0.504 62.004 62.300 0.345 0.000 0.969 149 V CB 1.450 33.416 31.823 0.238 0.000 0.995 149 V HN 0.193 nan 8.190 nan 0.000 0.471 150 I N 3.418 124.097 120.570 0.183 0.000 2.906 150 I HA -0.078 4.106 4.170 0.023 0.000 0.301 150 I C 0.704 176.680 176.117 -0.235 0.000 1.221 150 I CA 0.634 61.838 61.300 -0.160 0.000 1.435 150 I CB 0.050 37.734 38.000 -0.526 0.000 1.345 150 I HN 0.645 nan 8.210 nan 0.000 0.558 151 D N 6.981 127.299 120.400 -0.137 0.000 2.393 151 D HA 0.037 4.691 4.640 0.023 0.000 0.232 151 D C 0.573 176.734 176.300 -0.232 0.000 1.192 151 D CA -0.021 53.933 54.000 -0.077 0.000 0.882 151 D CB 0.458 41.281 40.800 0.039 0.000 1.038 151 D HN 0.333 nan 8.370 nan 0.000 0.499 152 Y N 1.608 121.831 120.300 -0.128 0.000 2.352 152 Y HA -0.111 4.452 4.550 0.023 0.000 0.292 152 Y C 2.001 177.788 175.900 -0.188 0.000 1.136 152 Y CA 0.646 58.594 58.100 -0.253 0.000 1.227 152 Y CB 0.206 38.505 38.460 -0.268 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.545 153 D N -0.157 120.254 120.400 0.018 0.000 2.178 153 D HA -0.169 4.485 4.640 0.023 0.000 0.202 153 D C 1.546 177.838 176.300 -0.012 0.000 0.974 153 D CA 1.444 55.443 54.000 -0.001 0.000 0.841 153 D CB -0.215 40.593 40.800 0.014 0.000 0.953 153 D HN 0.409 nan 8.370 nan 0.000 0.478 154 D N 0.363 120.756 120.400 -0.012 0.000 2.123 154 D HA -0.114 4.540 4.640 0.023 0.000 0.200 154 D C 2.149 178.450 176.300 0.002 0.000 0.976 154 D CA 0.535 54.548 54.000 0.022 0.000 0.831 154 D CB 0.154 40.997 40.800 0.072 0.000 0.974 154 D HN -0.105 nan 8.370 nan 0.000 0.469 155 V N 0.623 120.456 119.914 -0.134 0.000 2.282 155 V HA -0.272 3.862 4.120 0.023 0.000 0.249 155 V C 2.631 178.658 176.094 -0.113 0.000 1.057 155 V CA 2.196 64.343 62.300 -0.255 0.000 1.032 155 V CB -0.654 30.747 31.823 -0.703 0.000 0.645 155 V HN 0.231 nan 8.190 nan 0.000 0.447 156 R N -0.069 120.370 120.500 -0.102 0.000 2.073 156 R HA -0.222 4.132 4.340 0.023 0.000 0.234 156 R C 2.442 178.735 176.300 -0.012 0.000 1.134 156 R CA 2.106 58.176 56.100 -0.050 0.000 0.952 156 R CB -0.302 29.971 30.300 -0.044 0.000 0.850 156 R HN 0.695 nan 8.270 nan 0.000 0.433 157 E N 0.215 120.414 120.200 -0.002 0.000 2.051 157 E HA -0.200 4.164 4.350 0.023 0.000 0.192 157 E C 1.618 178.232 176.600 0.023 0.000 0.991 157 E CA 1.140 57.544 56.400 0.006 0.000 0.799 157 E CB 0.173 29.880 29.700 0.012 0.000 0.748 157 E HN 0.162 nan 8.360 nan 0.000 0.449 158 K N 0.296 120.744 120.400 0.081 0.000 2.063 158 K HA -0.147 4.187 4.320 0.023 0.000 0.208 158 K C 2.106 178.813 176.600 0.179 0.000 1.048 158 K CA 1.136 57.538 56.287 0.191 0.000 0.928 158 K CB -0.475 32.174 32.500 0.249 0.000 0.713 158 K HN 0.207 nan 8.250 nan 0.000 0.442 159 A N 1.636 124.520 122.820 0.107 0.000 1.902 159 A HA -0.174 4.160 4.320 0.023 0.000 0.217 159 A C 2.243 179.853 177.584 0.043 0.000 1.181 159 A CA 1.438 53.524 52.037 0.082 0.000 0.623 159 A CB -0.384 18.648 19.000 0.053 0.000 0.818 159 A HN 0.266 nan 8.150 nan 0.000 0.443 160 R N -1.340 119.167 120.500 0.012 0.000 2.090 160 R HA -0.017 4.337 4.340 0.023 0.000 0.228 160 R C 2.097 178.370 176.300 -0.045 0.000 1.110 160 R CA 1.220 57.312 56.100 -0.013 0.000 0.973 160 R CB -0.407 29.882 30.300 -0.018 0.000 0.869 160 R HN 0.497 nan 8.270 nan 0.000 0.440 161 L N 0.036 121.203 121.223 -0.094 0.000 2.023 161 L HA -0.109 4.245 4.340 0.023 0.000 0.205 161 L C 1.821 178.537 176.870 -0.257 0.000 1.073 161 L CA 1.887 56.592 54.840 -0.225 0.000 0.745 161 L CB -0.312 41.516 42.059 -0.386 0.000 0.900 161 L HN 0.186 nan 8.230 nan 0.000 0.435 162 H N 0.094 119.164 119.070 0.001 0.000 2.562 162 H HA 0.233 4.803 4.556 0.023 0.000 0.267 162 H C 0.036 175.355 175.328 -0.015 0.000 0.959 162 H CA 0.159 56.203 56.048 -0.007 0.000 1.204 162 H CB 0.237 29.995 29.762 -0.008 0.000 1.430 162 H HN 0.171 nan 8.280 nan 0.000 0.545 163 R N 0.475 121.022 120.500 0.077 0.000 3.205 163 R HA -0.101 4.252 4.340 0.023 0.000 0.249 163 R C -2.605 173.712 176.300 0.029 0.000 0.937 163 R CA 0.021 56.144 56.100 0.037 0.000 0.641 163 R CB -2.384 27.925 30.300 0.016 0.000 1.114 163 R HN 0.437 nan 8.270 nan 0.000 0.451 164 P HA 0.072 nan 4.420 nan 0.000 0.272 164 P C 0.597 177.888 177.300 -0.016 0.000 1.223 164 P CA -0.251 62.837 63.100 -0.019 0.000 0.784 164 P CB 0.860 32.545 31.700 -0.026 0.000 0.923 165 K N 0.656 121.034 120.400 -0.037 0.000 2.296 165 K HA 0.027 4.361 4.320 0.023 0.000 0.200 165 K C 0.308 176.951 176.600 0.071 0.000 1.048 165 K CA 0.497 56.791 56.287 0.011 0.000 0.966 165 K CB -0.000 32.505 32.500 0.008 0.000 0.754 165 K HN 0.313 nan 8.250 nan 0.000 0.466 166 L N 0.936 122.159 121.223 -0.001 0.000 2.431 166 L HA 0.463 4.817 4.340 0.023 0.000 0.266 166 L C -1.579 175.303 176.870 0.020 0.000 0.978 166 L CA -0.627 54.241 54.840 0.047 0.000 0.822 166 L CB 1.905 43.939 42.059 -0.041 0.000 1.310 166 L HN -0.075 nan 8.230 nan 0.000 0.409 167 I N 4.971 125.612 120.570 0.119 0.000 2.404 167 I HA 0.503 4.687 4.170 0.023 0.000 0.293 167 I C -0.751 175.458 176.117 0.152 0.000 0.992 167 I CA -0.997 60.399 61.300 0.159 0.000 1.149 167 I CB 1.956 40.099 38.000 0.239 0.000 1.315 167 I HN 0.257 nan 8.210 nan 0.000 0.446 168 V N 5.517 125.517 119.914 0.143 0.000 2.398 168 V HA 0.695 4.829 4.120 0.023 0.000 0.286 168 V C 0.275 176.349 176.094 -0.034 0.000 1.026 168 V CA -0.429 61.893 62.300 0.038 0.000 0.868 168 V CB 1.386 33.204 31.823 -0.008 0.000 0.982 168 V HN 0.846 nan 8.190 nan 0.000 0.443 169 A N 4.085 126.761 122.820 -0.240 0.000 2.356 169 A HA 1.058 5.392 4.320 0.023 0.000 0.323 169 A C 0.035 177.523 177.584 -0.160 0.000 1.119 169 A CA 0.048 51.805 52.037 -0.467 0.000 0.790 169 A CB 1.555 19.862 19.000 -1.155 0.000 1.273 169 A HN 2.475 nan 8.150 nan 0.000 0.452 170 A N -0.826 121.976 122.820 -0.030 0.000 2.435 170 A HA 0.571 4.905 4.320 0.023 0.000 0.686 170 A C -0.316 177.380 177.584 0.188 0.000 0.140 170 A CA -0.051 52.061 52.037 0.124 0.000 0.030 170 A CB -1.456 17.620 19.000 0.127 0.000 3.972 170 A HN 2.988 nan 8.150 nan 0.000 0.548 171 A N -0.826 122.133 122.820 0.232 0.000 2.612 171 A HA 0.916 5.250 4.320 0.023 0.000 0.293 171 A C 0.570 178.210 177.584 0.093 0.000 1.075 171 A CA 0.729 52.884 52.037 0.197 0.000 0.680 171 A CB 0.487 19.590 19.000 0.173 0.000 1.279 171 A HN 2.435 nan 8.150 nan 0.000 0.411 172 S N -0.396 115.308 115.700 0.007 0.000 2.517 172 S HA 0.475 4.959 4.470 0.023 0.000 0.214 172 S C 0.746 175.108 174.600 -0.396 0.000 0.991 172 S CA 0.772 58.847 58.200 -0.208 0.000 0.906 172 S CB 0.480 63.722 63.200 0.070 0.000 0.789 172 S HN 2.145 nan 8.310 nan 0.000 0.513 173 A N 0.462 123.191 122.820 -0.152 0.000 3.165 173 A HA 0.508 4.842 4.320 0.023 0.000 0.212 173 A C -0.927 176.680 177.584 0.037 0.000 0.935 173 A CA -0.437 51.533 52.037 -0.111 0.000 1.100 173 A CB -0.019 18.936 19.000 -0.076 0.000 1.260 173 A HN 0.401 nan 8.150 nan 0.000 0.532 174 Y N 1.971 122.223 120.300 -0.081 0.000 2.356 174 Y HA 0.542 5.106 4.550 0.023 0.000 0.334 174 Y C -2.190 173.709 175.900 -0.001 0.000 0.958 174 Y CA -2.331 55.767 58.100 -0.004 0.000 1.196 174 Y CB 2.128 40.627 38.460 0.064 0.000 1.137 174 Y HN 0.260 nan 8.280 nan 0.000 0.485 175 P HA 0.108 nan 4.420 nan 0.000 0.253 175 P C -0.291 176.794 177.300 -0.359 0.000 1.260 175 P CA 0.535 63.454 63.100 -0.302 0.000 0.800 175 P CB 0.496 32.069 31.700 -0.212 0.000 1.162 176 R N -0.135 119.939 120.500 -0.709 0.000 2.892 176 R HA 0.485 4.838 4.340 0.023 0.000 0.265 176 R C 0.364 176.598 176.300 -0.109 0.000 1.025 176 R CA -1.487 54.362 56.100 -0.419 0.000 0.982 176 R CB 0.827 30.871 30.300 -0.426 0.000 1.185 176 R HN 0.003 nan 8.270 nan 0.000 0.484 177 I N 2.249 122.823 120.570 0.007 0.000 2.683 177 I HA -0.020 4.164 4.170 0.023 0.000 0.286 177 I C 0.573 176.783 176.117 0.154 0.000 1.175 177 I CA 0.550 61.858 61.300 0.014 0.000 1.429 177 I CB 0.265 38.120 38.000 -0.242 0.000 1.371 177 I HN 0.244 nan 8.210 nan 0.000 0.569 178 I N 5.718 126.384 120.570 0.160 0.000 2.365 178 I HA 0.089 4.273 4.170 0.023 0.000 0.291 178 I C 0.274 176.143 176.117 -0.413 0.000 1.004 178 I CA -0.268 61.043 61.300 0.017 0.000 1.311 178 I CB 0.861 38.818 38.000 -0.072 0.000 1.401 178 I HN 0.492 nan 8.210 nan 0.000 0.491 179 D N 6.470 126.825 120.400 -0.076 0.000 2.453 179 D HA 0.134 4.788 4.640 0.023 0.000 0.223 179 D C 0.758 177.004 176.300 -0.089 0.000 1.183 179 D CA -0.025 53.828 54.000 -0.244 0.000 0.933 179 D CB 0.294 40.829 40.800 -0.441 0.000 1.038 179 D HN 0.352 nan 8.370 nan 0.000 0.513 180 F N 1.749 121.693 119.950 -0.009 0.000 2.293 180 F HA -0.106 4.435 4.527 0.023 0.000 0.300 180 F C 2.499 178.106 175.800 -0.321 0.000 1.086 180 F CA 0.537 58.498 58.000 -0.065 0.000 1.375 180 F CB -0.033 38.910 39.000 -0.095 0.000 1.045 180 F HN 0.427 nan 8.300 nan 0.000 0.516 181 A N 0.651 123.133 122.820 -0.564 0.000 1.877 181 A HA -0.209 4.125 4.320 0.023 0.000 0.216 181 A C 2.208 179.718 177.584 -0.124 0.000 1.186 181 A CA 1.644 53.406 52.037 -0.458 0.000 0.620 181 A CB -0.573 18.195 19.000 -0.386 0.000 0.822 181 A HN 0.287 nan 8.150 nan 0.000 0.443 182 K N -1.538 118.755 120.400 -0.178 0.000 2.057 182 K HA -0.101 4.233 4.320 0.023 0.000 0.207 182 K C 1.701 178.256 176.600 -0.076 0.000 1.049 182 K CA 1.496 57.664 56.287 -0.198 0.000 0.931 182 K CB -0.359 31.837 32.500 -0.507 0.000 0.714 182 K HN 0.467 nan 8.250 nan 0.000 0.440 183 F N 1.201 121.178 119.950 0.045 0.000 2.126 183 F HA -0.213 4.329 4.527 0.024 0.000 0.299 183 F C 2.635 178.485 175.800 0.084 0.000 1.096 183 F CA 1.363 59.417 58.000 0.091 0.000 1.255 183 F CB -0.218 38.876 39.000 0.157 0.000 0.997 183 F HN -0.055 nan 8.300 nan 0.000 0.479 184 R N 0.882 121.546 120.500 0.273 0.000 2.092 184 R HA -0.161 4.193 4.340 0.023 0.000 0.231 184 R C 2.045 178.426 176.300 0.136 0.000 1.119 184 R CA 1.778 58.003 56.100 0.208 0.000 0.970 184 R CB -0.788 29.652 30.300 0.233 0.000 0.864 184 R HN 0.414 nan 8.270 nan 0.000 0.440 185 E N -0.234 120.019 120.200 0.088 0.000 2.058 185 E HA -0.190 4.174 4.350 0.023 0.000 0.194 185 E C 1.884 178.504 176.600 0.034 0.000 0.997 185 E CA 1.757 58.184 56.400 0.044 0.000 0.801 185 E CB -0.146 29.555 29.700 0.002 0.000 0.746 185 E HN 0.424 nan 8.360 nan 0.000 0.450 186 I N 0.756 121.340 120.570 0.022 0.000 2.252 186 I HA -0.242 3.942 4.170 0.023 0.000 0.245 186 I C 2.585 178.733 176.117 0.052 0.000 1.102 186 I CA 0.945 62.252 61.300 0.011 0.000 1.385 186 I CB -0.329 37.645 38.000 -0.043 0.000 1.064 186 I HN 0.167 nan 8.210 nan 0.000 0.414 187 A N 0.625 123.507 122.820 0.103 0.000 1.883 187 A HA -0.267 4.067 4.320 0.023 0.000 0.217 187 A C 1.952 179.586 177.584 0.084 0.000 1.186 187 A CA 2.256 54.366 52.037 0.122 0.000 0.624 187 A CB -0.673 18.445 19.000 0.198 0.000 0.822 187 A HN 0.346 nan 8.150 nan 0.000 0.444 188 D N -0.779 119.672 120.400 0.086 0.000 2.144 188 D HA -0.156 4.498 4.640 0.023 0.000 0.199 188 D C 1.879 178.196 176.300 0.030 0.000 0.984 188 D CA 1.463 55.498 54.000 0.059 0.000 0.834 188 D CB -0.359 40.477 40.800 0.061 0.000 0.955 188 D HN 0.745 nan 8.370 nan 0.000 0.465 189 E N 0.294 120.510 120.200 0.026 0.000 2.077 189 E HA -0.148 4.215 4.350 0.023 0.000 0.193 189 E C 1.729 178.333 176.600 0.006 0.000 0.989 189 E CA 1.282 57.688 56.400 0.012 0.000 0.800 189 E CB 0.268 29.972 29.700 0.006 0.000 0.746 189 E HN 0.238 nan 8.360 nan 0.000 0.452 190 V N -3.249 116.671 119.914 0.010 0.000 3.621 190 V HA 0.427 4.561 4.120 0.023 0.000 0.285 190 V C 1.019 177.108 176.094 -0.010 0.000 1.346 190 V CA 0.360 62.662 62.300 0.004 0.000 1.104 190 V CB 0.008 31.840 31.823 0.014 0.000 0.913 190 V HN 0.285 nan 8.190 nan 0.000 0.432 191 G N 0.378 109.167 108.800 -0.018 0.000 2.246 191 G HA2 0.001 3.975 3.960 0.023 0.000 0.273 191 G HA3 0.001 3.975 3.960 0.023 0.000 0.273 191 G C 0.189 175.025 174.900 -0.106 0.000 1.055 191 G CA 0.405 45.469 45.100 -0.060 0.000 0.851 191 G HN 1.669 nan 8.290 nan 0.000 0.500 192 A N -0.612 122.170 122.820 -0.064 0.000 2.325 192 A HA 0.828 5.162 4.320 0.023 0.000 0.333 192 A C 0.036 177.573 177.584 -0.077 0.000 1.155 192 A CA -0.825 51.180 52.037 -0.054 0.000 0.814 192 A CB 0.879 19.903 19.000 0.040 0.000 1.206 192 A HN 0.550 nan 8.150 nan 0.000 0.482 193 Y N 0.121 120.399 120.300 -0.037 0.000 2.457 193 Y HA 0.332 4.896 4.550 0.024 0.000 0.341 193 Y C 0.317 176.328 175.900 0.185 0.000 1.240 193 Y CA 0.454 58.510 58.100 -0.072 0.000 1.437 193 Y CB 0.600 39.026 38.460 -0.058 0.000 1.328 193 Y HN 0.547 nan 8.280 nan 0.000 0.588 194 L N 4.899 126.481 121.223 0.598 0.000 2.305 194 L HA 0.505 4.859 4.340 0.023 0.000 0.284 194 L C -0.810 176.248 176.870 0.314 0.000 1.013 194 L CA -0.804 54.258 54.840 0.370 0.000 0.819 194 L CB 1.126 43.354 42.059 0.283 0.000 1.227 194 L HN 0.728 nan 8.230 nan 0.000 0.417 195 M N 5.704 125.439 119.600 0.224 0.000 2.294 195 M HA 0.610 5.104 4.480 0.023 0.000 0.335 195 M C -1.704 174.605 176.300 0.015 0.000 1.079 195 M CA -0.618 54.781 55.300 0.165 0.000 0.982 195 M CB 1.569 34.262 32.600 0.156 0.000 1.651 195 M HN 0.411 nan 8.290 nan 0.000 0.437 196 V N 4.222 124.103 119.914 -0.055 0.000 2.384 196 V HA 0.279 4.413 4.120 0.023 0.000 0.287 196 V C -0.655 175.371 176.094 -0.113 0.000 1.020 196 V CA -0.595 61.617 62.300 -0.146 0.000 0.850 196 V CB 1.587 33.191 31.823 -0.366 0.000 0.987 196 V HN 0.768 nan 8.190 nan 0.000 0.436 197 D N 5.674 126.034 120.400 -0.067 0.000 2.456 197 D HA 0.248 4.902 4.640 0.023 0.000 0.219 197 D C 0.778 177.084 176.300 0.009 0.000 1.126 197 D CA -0.457 53.537 54.000 -0.009 0.000 0.890 197 D CB 1.148 42.016 40.800 0.113 0.000 1.025 197 D HN 0.609 nan 8.370 nan 0.000 0.511 198 M N 1.665 121.225 119.600 -0.066 0.000 2.530 198 M HA 0.355 4.849 4.480 0.023 0.000 0.231 198 M C 1.393 177.660 176.300 -0.056 0.000 1.180 198 M CA -0.354 54.910 55.300 -0.059 0.000 0.985 198 M CB 0.634 33.145 32.600 -0.147 0.000 1.623 198 M HN 0.131 nan 8.290 nan 0.000 0.475 199 A N 1.340 124.130 122.820 -0.049 0.000 1.896 199 A HA -0.249 4.085 4.320 0.023 0.000 0.220 199 A C 2.100 179.606 177.584 -0.129 0.000 1.206 199 A CA 2.211 54.179 52.037 -0.115 0.000 0.647 199 A CB -1.426 17.491 19.000 -0.138 0.000 0.828 199 A HN 0.759 nan 8.150 nan 0.000 0.455 200 H N -0.513 118.513 119.070 -0.073 0.000 2.389 200 H HA -0.039 4.532 4.556 0.026 0.000 0.299 200 H C 1.902 177.083 175.328 -0.246 0.000 1.081 200 H CA 1.768 57.774 56.048 -0.070 0.000 1.345 200 H CB -0.043 29.814 29.762 0.157 0.000 1.393 200 H HN 0.736 nan 8.280 nan 0.000 0.520 201 I N -2.591 117.961 120.570 -0.029 0.000 3.928 201 I HA 0.337 4.521 4.170 0.023 0.000 0.335 201 I C 2.201 178.304 176.117 -0.024 0.000 1.325 201 I CA 0.199 61.447 61.300 -0.086 0.000 1.107 201 I CB 0.143 38.059 38.000 -0.140 0.000 1.014 201 I HN -0.088 nan 8.210 nan 0.000 0.400 202 A N 2.268 125.081 122.820 -0.012 0.000 1.908 202 A HA -0.077 4.257 4.320 0.023 0.000 0.218 202 A C 2.347 180.106 177.584 0.291 0.000 1.181 202 A CA 2.073 54.166 52.037 0.094 0.000 0.627 202 A CB -1.421 17.580 19.000 0.002 0.000 0.818 202 A HN 0.539 nan 8.150 nan 0.000 0.445 203 G N -0.276 108.668 108.800 0.240 0.000 2.422 203 G HA2 -0.124 3.849 3.960 0.023 0.000 0.218 203 G HA3 -0.124 3.849 3.960 0.023 0.000 0.218 203 G C 1.533 176.634 174.900 0.335 0.000 1.146 203 G CA 0.997 46.347 45.100 0.416 0.000 0.769 203 G HN 0.452 nan 8.290 nan 0.000 0.547 204 L N 0.253 121.581 121.223 0.175 0.000 2.056 204 L HA -0.069 4.285 4.340 0.023 0.000 0.207 204 L C 2.961 179.964 176.870 0.221 0.000 1.078 204 L CA 0.450 55.380 54.840 0.150 0.000 0.749 204 L CB -0.787 41.349 42.059 0.129 0.000 0.901 204 L HN 0.061 nan 8.230 nan 0.000 0.433 205 V N 0.624 120.696 119.914 0.264 0.000 2.287 205 V HA -0.325 3.809 4.120 0.023 0.000 0.248 205 V C 2.845 179.093 176.094 0.257 0.000 1.053 205 V CA 1.979 64.472 62.300 0.322 0.000 1.027 205 V CB -0.949 31.095 31.823 0.368 0.000 0.646 205 V HN 0.500 nan 8.190 nan 0.000 0.447 206 A N -0.329 122.622 122.820 0.219 0.000 1.978 206 A HA -0.045 4.289 4.320 0.023 0.000 0.220 206 A C 2.147 179.761 177.584 0.050 0.000 1.170 206 A CA 1.934 53.912 52.037 -0.099 0.000 0.636 206 A CB -0.506 18.345 19.000 -0.248 0.000 0.810 206 A HN 0.638 nan 8.150 nan 0.000 0.448 207 A N -1.930 120.996 122.820 0.177 0.000 2.308 207 A HA 0.447 4.781 4.320 0.023 0.000 0.217 207 A C 1.630 179.275 177.584 0.102 0.000 1.216 207 A CA 1.015 53.145 52.037 0.155 0.000 0.864 207 A CB -0.842 18.241 19.000 0.138 0.000 0.902 207 A HN 1.854 nan 8.150 nan 0.000 0.499 208 G N -0.712 108.156 108.800 0.113 0.000 2.160 208 G HA2 -0.243 3.730 3.960 0.023 0.000 0.251 208 G HA3 -0.243 3.730 3.960 0.023 0.000 0.251 208 G C 0.525 175.490 174.900 0.108 0.000 1.008 208 G CA 0.581 45.746 45.100 0.108 0.000 0.724 208 G HN 0.553 nan 8.290 nan 0.000 0.514 209 L N -0.555 120.746 121.223 0.129 0.000 2.640 209 L HA 0.376 4.729 4.340 0.023 0.000 0.230 209 L C 0.915 177.887 176.870 0.170 0.000 1.123 209 L CA -0.200 54.707 54.840 0.112 0.000 0.900 209 L CB 0.271 42.375 42.059 0.075 0.000 1.146 209 L HN 0.404 nan 8.230 nan 0.000 0.484 210 H N 0.546 119.690 119.070 0.123 0.000 2.806 210 H HA 0.371 4.941 4.556 0.024 0.000 0.367 210 H C -2.709 172.740 175.328 0.201 0.000 1.136 210 H CA -1.885 54.255 56.048 0.153 0.000 1.178 210 H CB 2.768 32.642 29.762 0.186 0.000 1.718 210 H HN -0.251 nan 8.280 nan 0.000 0.540 211 P HA -0.054 nan 4.420 nan 0.000 0.265 211 P C -0.183 177.489 177.300 0.620 0.000 1.187 211 P CA 0.124 63.414 63.100 0.318 0.000 0.766 211 P CB 0.486 32.288 31.700 0.169 0.000 0.820 212 N N 4.144 123.118 118.700 0.457 0.000 2.430 212 N HA 0.085 4.839 4.740 0.023 0.000 0.265 212 N C -1.470 174.232 175.510 0.320 0.000 1.100 212 N CA -2.169 51.095 53.050 0.358 0.000 0.961 212 N CB 0.449 39.083 38.487 0.245 0.000 1.075 212 N HN 0.223 nan 8.380 nan 0.000 0.478 213 P HA -0.073 nan 4.420 nan 0.000 0.225 213 P C 1.398 178.624 177.300 -0.123 0.000 1.156 213 P CA 0.399 63.233 63.100 -0.442 0.000 0.787 213 P CB 0.498 31.524 31.700 -1.123 0.000 0.802 214 V N 2.046 121.911 119.914 -0.081 0.000 2.250 214 V HA -0.188 3.946 4.120 0.023 0.000 0.250 214 V C -0.215 175.817 176.094 -0.102 0.000 1.060 214 V CA 2.809 65.064 62.300 -0.076 0.000 1.030 214 V CB -2.580 29.231 31.823 -0.019 0.000 0.643 214 V HN 0.213 nan 8.190 nan 0.000 0.445 215 P HA -0.097 nan 4.420 nan 0.000 0.223 215 P C 0.917 177.973 177.300 -0.406 0.000 1.151 215 P CA 1.424 64.326 63.100 -0.330 0.000 0.787 215 P CB -0.075 31.318 31.700 -0.511 0.000 0.788 216 Y N -1.136 119.136 120.300 -0.047 0.000 2.507 216 Y HA 0.429 4.993 4.550 0.023 0.000 0.263 216 Y C 1.358 177.184 175.900 -0.123 0.000 1.093 216 Y CA -0.308 57.770 58.100 -0.038 0.000 1.285 216 Y CB -0.334 38.174 38.460 0.081 0.000 1.115 216 Y HN -0.195 nan 8.280 nan 0.000 0.533 217 A N -0.559 122.240 122.820 -0.036 0.000 2.312 217 A HA 0.392 4.726 4.320 0.023 0.000 0.326 217 A C -0.106 177.337 177.584 -0.234 0.000 1.172 217 A CA -0.443 51.529 52.037 -0.109 0.000 0.821 217 A CB 0.330 19.270 19.000 -0.100 0.000 1.166 217 A HN 0.450 nan 8.150 nan 0.000 0.493 218 H N 0.835 119.804 119.070 -0.168 0.000 2.389 218 H HA 0.116 4.686 4.556 0.023 0.000 0.299 218 H C -0.663 174.099 175.328 -0.944 0.000 1.081 218 H CA 2.058 57.778 56.048 -0.546 0.000 1.345 218 H CB -0.026 29.265 29.762 -0.785 0.000 1.393 218 H HN 0.578 nan 8.280 nan 0.000 0.520 219 F N -0.522 119.423 119.950 -0.008 0.000 2.556 219 F HA 0.481 5.022 4.527 0.023 0.000 0.314 219 F C -0.870 174.874 175.800 -0.094 0.000 1.106 219 F CA -1.221 56.736 58.000 -0.072 0.000 0.911 219 F CB 1.909 40.830 39.000 -0.132 0.000 1.190 219 F HN -0.346 nan 8.300 nan 0.000 0.448 220 V N 1.754 121.698 119.914 0.050 0.000 2.444 220 V HA 0.578 4.712 4.120 0.023 0.000 0.294 220 V C -0.220 175.825 176.094 -0.082 0.000 1.022 220 V CA -0.697 61.557 62.300 -0.077 0.000 0.850 220 V CB 1.907 33.620 31.823 -0.184 0.000 0.992 220 V HN 0.899 nan 8.190 nan 0.000 0.426 221 T N 0.892 115.391 114.554 -0.091 0.000 2.945 221 T HA 0.834 5.198 4.350 0.023 0.000 0.286 221 T C -0.300 174.322 174.700 -0.130 0.000 1.025 221 T CA -0.659 61.384 62.100 -0.096 0.000 1.039 221 T CB 2.130 70.952 68.868 -0.077 0.000 1.068 221 T HN 0.722 nan 8.240 nan 0.000 0.497 222 T N 0.489 114.968 114.554 -0.125 0.000 2.830 222 T HA 0.583 4.947 4.350 0.023 0.000 0.322 222 T C -0.680 173.949 174.700 -0.117 0.000 1.501 222 T CA -0.401 61.612 62.100 -0.145 0.000 1.036 222 T CB 1.389 70.125 68.868 -0.219 0.000 1.379 222 T HN 1.195 nan 8.240 nan 0.000 0.493 223 T N -0.120 114.330 114.554 -0.174 0.000 2.902 223 T HA 0.485 4.849 4.350 0.023 0.000 0.280 223 T C 1.365 175.958 174.700 -0.178 0.000 0.992 223 T CA 0.137 62.102 62.100 -0.226 0.000 1.015 223 T CB 1.090 69.613 68.868 -0.575 0.000 1.044 223 T HN 0.754 nan 8.240 nan 0.000 0.520 224 T N -2.174 112.343 114.554 -0.062 0.000 3.086 224 T HA 0.050 4.414 4.350 0.023 0.000 0.250 224 T C 1.221 175.950 174.700 0.048 0.000 1.074 224 T CA 0.142 62.286 62.100 0.074 0.000 0.988 224 T CB -0.455 68.505 68.868 0.154 0.000 0.988 224 T HN 0.921 nan 8.240 nan 0.000 0.530 225 H N -0.199 118.867 119.070 -0.007 0.000 2.652 225 H HA 0.471 5.042 4.556 0.025 0.000 0.274 225 H C 0.806 176.102 175.328 -0.053 0.000 1.021 225 H CA -0.518 55.513 56.048 -0.028 0.000 1.187 225 H CB 0.336 30.071 29.762 -0.045 0.000 1.505 225 H HN 0.269 nan 8.280 nan 0.000 0.530 226 K N 1.222 121.489 120.400 -0.223 0.000 3.730 226 K HA 0.053 4.387 4.320 0.023 0.000 0.166 226 K C 1.945 178.504 176.600 -0.068 0.000 1.148 226 K CA 0.777 56.946 56.287 -0.197 0.000 1.638 226 K CB -0.237 32.020 32.500 -0.404 0.000 2.264 226 K HN 0.135 nan 8.250 nan 0.000 0.518 227 T N 0.248 114.740 114.554 -0.104 0.000 3.007 227 T HA -0.085 4.279 4.350 0.023 0.000 0.270 227 T C 1.736 176.596 174.700 0.267 0.000 1.107 227 T CA 0.723 62.839 62.100 0.027 0.000 1.118 227 T CB -0.082 68.707 68.868 -0.131 0.000 0.889 227 T HN 0.081 nan 8.240 nan 0.000 0.506 228 L N 1.116 122.458 121.223 0.198 0.000 2.376 228 L HA 0.352 4.706 4.340 0.023 0.000 0.219 228 L C 1.599 178.611 176.870 0.237 0.000 1.133 228 L CA 0.847 55.843 54.840 0.259 0.000 0.816 228 L CB -1.157 41.018 42.059 0.193 0.000 0.933 228 L HN 0.421 nan 8.230 nan 0.000 0.449 229 R N -1.035 119.589 120.500 0.207 0.000 3.525 229 R HA -0.162 4.192 4.340 0.023 0.000 0.276 229 R C 0.442 176.797 176.300 0.091 0.000 1.116 229 R CA 0.454 56.651 56.100 0.161 0.000 0.745 229 R CB -1.656 28.783 30.300 0.231 0.000 1.185 229 R HN 0.546 nan 8.270 nan 0.000 0.454 230 G N 0.028 108.876 108.800 0.080 0.000 2.938 230 G HA2 0.693 4.667 3.960 0.023 0.000 0.258 230 G HA3 0.693 4.667 3.960 0.023 0.000 0.258 230 G C -2.608 172.315 174.900 0.038 0.000 1.356 230 G CA -0.957 44.159 45.100 0.027 0.000 1.052 230 G HN 0.126 nan 8.290 nan 0.000 0.550 231 P HA 0.178 nan 4.420 nan 0.000 0.273 231 P C -0.602 176.720 177.300 0.037 0.000 1.250 231 P CA -0.497 62.594 63.100 -0.016 0.000 0.793 231 P CB 0.994 32.651 31.700 -0.072 0.000 1.011 232 R N 0.201 120.668 120.500 -0.055 0.000 2.296 232 R HA 0.512 4.866 4.340 0.023 0.000 0.323 232 R C 0.304 176.592 176.300 -0.019 0.000 1.067 232 R CA 0.524 56.512 56.100 -0.186 0.000 0.946 232 R CB -0.576 29.496 30.300 -0.381 0.000 0.991 232 R HN 0.843 nan 8.270 nan 0.000 0.448 233 G N 1.381 110.306 108.800 0.208 0.000 2.320 233 G HA2 0.405 4.379 3.960 0.023 0.000 0.296 233 G HA3 0.405 4.379 3.960 0.023 0.000 0.296 233 G C -1.311 173.686 174.900 0.162 0.000 1.306 233 G CA -0.411 44.771 45.100 0.136 0.000 0.836 233 G HN 0.771 nan 8.290 nan 0.000 0.517 234 G N -1.365 107.489 108.800 0.090 0.000 2.685 234 G HA2 0.821 4.795 3.960 0.023 0.000 0.298 234 G HA3 0.821 4.795 3.960 0.023 0.000 0.298 234 G C -0.814 174.113 174.900 0.047 0.000 1.277 234 G CA -0.415 44.715 45.100 0.050 0.000 0.986 234 G HN 1.161 nan 8.290 nan 0.000 0.487 235 M N -0.196 119.414 119.600 0.016 0.000 2.471 235 M HA 0.620 5.114 4.480 0.023 0.000 0.284 235 M C -2.115 174.166 176.300 -0.031 0.000 1.203 235 M CA -0.646 54.664 55.300 0.017 0.000 0.915 235 M CB 2.227 34.855 32.600 0.047 0.000 1.734 235 M HN 0.403 nan 8.290 nan 0.000 0.485 236 I N 4.364 124.924 120.570 -0.016 0.000 2.465 236 I HA 0.504 4.688 4.170 0.023 0.000 0.291 236 I C -1.293 174.816 176.117 -0.012 0.000 1.014 236 I CA -0.716 60.579 61.300 -0.009 0.000 1.093 236 I CB 2.038 40.061 38.000 0.039 0.000 1.267 236 I HN 0.592 nan 8.210 nan 0.000 0.431 237 L N 5.989 127.197 121.223 -0.025 0.000 2.346 237 L HA 0.820 5.174 4.340 0.023 0.000 0.274 237 L C -0.554 176.362 176.870 0.076 0.000 1.007 237 L CA -0.629 54.202 54.840 -0.014 0.000 0.818 237 L CB 1.916 43.910 42.059 -0.110 0.000 1.284 237 L HN 0.814 nan 8.230 nan 0.000 0.424 238 C N -0.315 119.063 119.300 0.130 0.000 3.306 238 C HA 0.407 4.881 4.460 0.023 0.000 0.335 238 C C -0.634 174.454 174.990 0.165 0.000 1.382 238 C CA -1.006 58.106 59.018 0.158 0.000 1.254 238 C CB 1.768 29.685 27.740 0.296 0.000 1.555 238 C HN 0.870 nan 8.230 nan 0.000 0.463 239 Q N 0.531 120.432 119.800 0.167 0.000 2.417 239 Q HA 0.131 4.485 4.340 0.023 0.000 0.241 239 Q C 0.910 176.948 176.000 0.062 0.000 1.008 239 Q CA 0.178 56.039 55.803 0.098 0.000 0.901 239 Q CB 1.032 29.802 28.738 0.054 0.000 1.259 239 Q HN 0.845 nan 8.270 nan 0.000 0.489 240 E N 1.194 121.389 120.200 -0.009 0.000 2.171 240 E HA -0.262 4.102 4.350 0.023 0.000 0.197 240 E C 1.775 178.285 176.600 -0.150 0.000 0.997 240 E CA 1.819 58.181 56.400 -0.063 0.000 0.810 240 E CB 0.127 29.794 29.700 -0.054 0.000 0.738 240 E HN 0.536 nan 8.360 nan 0.000 0.467 241 Q N -0.811 118.836 119.800 -0.255 0.000 2.297 241 Q HA -0.168 4.186 4.340 0.023 0.000 0.208 241 Q C 1.152 176.843 176.000 -0.515 0.000 0.981 241 Q CA 1.232 56.772 55.803 -0.438 0.000 0.876 241 Q CB -0.405 27.966 28.738 -0.612 0.000 0.921 241 Q HN 0.418 nan 8.270 nan 0.000 0.446 242 F N 0.161 120.107 119.950 -0.006 0.000 2.678 242 F HA 0.462 5.002 4.527 0.023 0.000 0.305 242 F C 2.187 177.986 175.800 -0.001 0.000 1.090 242 F CA -0.174 57.858 58.000 0.054 0.000 1.272 242 F CB -0.160 38.936 39.000 0.159 0.000 1.060 242 F HN 0.059 nan 8.300 nan 0.000 0.576 243 A N 0.858 123.655 122.820 -0.039 0.000 1.873 243 A HA -0.279 4.055 4.320 0.023 0.000 0.218 243 A C 2.351 179.759 177.584 -0.294 0.000 1.193 243 A CA 2.193 53.978 52.037 -0.420 0.000 0.629 243 A CB -0.661 17.838 19.000 -0.836 0.000 0.826 243 A HN 0.333 nan 8.150 nan 0.000 0.447 244 K N -0.736 119.562 120.400 -0.171 0.000 2.026 244 K HA -0.225 4.109 4.320 0.023 0.000 0.208 244 K C 2.320 178.919 176.600 -0.002 0.000 1.048 244 K CA 1.831 58.064 56.287 -0.090 0.000 0.929 244 K CB -0.213 32.257 32.500 -0.050 0.000 0.713 244 K HN 0.650 nan 8.250 nan 0.000 0.439 245 Q N 0.166 120.001 119.800 0.058 0.000 2.050 245 Q HA -0.133 4.221 4.340 0.023 0.000 0.202 245 Q C 2.122 178.190 176.000 0.113 0.000 0.980 245 Q CA 1.294 57.159 55.803 0.103 0.000 0.840 245 Q CB -0.015 28.819 28.738 0.159 0.000 0.898 245 Q HN 0.300 nan 8.270 nan 0.000 0.424 246 I N 1.338 121.990 120.570 0.136 0.000 2.179 246 I HA -0.255 3.928 4.170 0.023 0.000 0.242 246 I C 1.572 177.771 176.117 0.136 0.000 1.088 246 I CA 1.480 62.862 61.300 0.138 0.000 1.357 246 I CB -1.012 37.117 38.000 0.216 0.000 1.051 246 I HN 0.226 nan 8.210 nan 0.000 0.409 247 D N 0.844 121.289 120.400 0.075 0.000 2.117 247 D HA -0.163 4.491 4.640 0.023 0.000 0.197 247 D C 2.162 178.601 176.300 0.232 0.000 0.987 247 D CA 1.015 55.022 54.000 0.012 0.000 0.829 247 D CB -0.112 40.421 40.800 -0.444 0.000 0.961 247 D HN 0.162 nan 8.370 nan 0.000 0.460 248 K N 0.625 121.129 120.400 0.172 0.000 2.148 248 K HA 0.043 4.377 4.320 0.023 0.000 0.204 248 K C 1.962 178.683 176.600 0.202 0.000 1.050 248 K CA 0.687 57.094 56.287 0.200 0.000 0.942 248 K CB -0.342 32.240 32.500 0.137 0.000 0.724 248 K HN 0.076 nan 8.250 nan 0.000 0.446 249 A N 1.537 124.487 122.820 0.216 0.000 1.902 249 A HA -0.130 4.204 4.320 0.023 0.000 0.217 249 A C 2.146 179.807 177.584 0.127 0.000 1.181 249 A CA 1.092 53.291 52.037 0.270 0.000 0.623 249 A CB -0.322 18.832 19.000 0.256 0.000 0.818 249 A HN 0.091 nan 8.150 nan 0.000 0.443 250 I N -2.695 117.975 120.570 0.167 0.000 2.202 250 I HA 0.031 4.214 4.170 0.023 0.000 0.242 250 I C 0.522 176.767 176.117 0.213 0.000 1.091 250 I CA 1.293 62.682 61.300 0.149 0.000 1.368 250 I CB -0.548 37.578 38.000 0.211 0.000 1.058 250 I HN 0.340 nan 8.210 nan 0.000 0.410 251 F N 2.391 122.441 119.950 0.167 0.000 2.588 251 F HA 0.399 4.942 4.527 0.026 0.000 0.318 251 F C -2.251 173.673 175.800 0.205 0.000 1.155 251 F CA -1.782 56.298 58.000 0.133 0.000 0.967 251 F CB 2.057 41.099 39.000 0.071 0.000 1.236 251 F HN -0.245 nan 8.300 nan 0.000 0.455 252 P HA 0.178 nan 4.420 nan 0.000 0.256 252 P C 0.928 177.981 177.300 -0.412 0.000 1.384 252 P CA 0.498 62.940 63.100 -1.097 0.000 0.879 252 P CB 0.388 31.502 31.700 -0.977 0.000 1.403 253 G N 2.239 110.933 108.800 -0.177 0.000 2.484 253 G HA2 -0.190 3.784 3.960 0.023 0.000 0.215 253 G HA3 -0.190 3.784 3.960 0.023 0.000 0.215 253 G C 1.278 175.907 174.900 -0.452 0.000 1.219 253 G CA 1.067 46.046 45.100 -0.201 0.000 0.791 253 G HN 0.443 nan 8.290 nan 0.000 0.550 254 I N -3.610 116.753 120.570 -0.345 0.000 4.403 254 I HA 0.453 4.637 4.170 0.023 0.000 0.331 254 I C 0.434 176.468 176.117 -0.138 0.000 1.327 254 I CA -0.249 60.849 61.300 -0.337 0.000 1.175 254 I CB 0.616 38.374 38.000 -0.403 0.000 1.165 254 I HN 0.046 nan 8.210 nan 0.000 0.413 255 Q N 0.730 120.512 119.800 -0.030 0.000 2.587 255 Q HA 0.657 5.011 4.340 0.023 0.000 0.293 255 Q C -0.109 176.059 176.000 0.280 0.000 1.083 255 Q CA -0.471 55.381 55.803 0.081 0.000 0.792 255 Q CB 2.429 31.131 28.738 -0.059 0.000 1.484 255 Q HN 0.245 nan 8.270 nan 0.000 0.446 256 G N -0.409 108.579 108.800 0.312 0.000 3.306 256 G HA2 0.445 4.419 3.960 0.023 0.000 0.202 256 G HA3 0.445 4.419 3.960 0.023 0.000 0.202 256 G C -0.212 174.805 174.900 0.195 0.000 1.673 256 G CA -0.099 45.246 45.100 0.410 0.000 0.776 256 G HN 0.581 nan 8.290 nan 0.000 0.740 257 G N 2.188 111.122 108.800 0.224 0.000 2.313 257 G HA2 0.474 4.448 3.960 0.023 0.000 0.250 257 G HA3 0.474 4.448 3.960 0.023 0.000 0.250 257 G C -2.008 172.876 174.900 -0.027 0.000 1.281 257 G CA -0.301 44.800 45.100 0.002 0.000 0.917 257 G HN 0.367 nan 8.290 nan 0.000 0.501 258 P HA 0.148 nan 4.420 nan 0.000 0.274 258 P C -0.052 177.225 177.300 -0.038 0.000 1.237 258 P CA -0.435 62.644 63.100 -0.035 0.000 0.793 258 P CB 1.238 32.860 31.700 -0.131 0.000 0.977 259 L N 2.511 123.731 121.223 -0.005 0.000 2.375 259 L HA 0.129 4.483 4.340 0.023 0.000 0.276 259 L C 1.823 178.583 176.870 -0.183 0.000 1.162 259 L CA -0.513 54.246 54.840 -0.135 0.000 0.991 259 L CB -0.157 41.735 42.059 -0.278 0.000 1.315 259 L HN 0.234 nan 8.230 nan 0.000 0.431 260 M N 1.334 120.914 119.600 -0.034 0.000 2.213 260 M HA -0.162 4.332 4.480 0.023 0.000 0.263 260 M C 2.399 178.698 176.300 -0.002 0.000 1.062 260 M CA 1.580 56.868 55.300 -0.020 0.000 1.105 260 M CB -1.105 31.491 32.600 -0.007 0.000 1.385 260 M HN 0.635 nan 8.290 nan 0.000 0.417 261 H N -0.756 118.267 119.070 -0.077 0.000 2.353 261 H HA 0.023 4.582 4.556 0.006 0.000 0.300 261 H C 2.100 177.387 175.328 -0.069 0.000 1.090 261 H CA 1.514 57.521 56.048 -0.069 0.000 1.327 261 H CB -1.453 28.266 29.762 -0.070 0.000 1.383 261 H HN 0.257 nan 8.280 nan 0.000 0.508 262 V N 1.649 121.243 119.914 -0.533 0.000 2.427 262 V HA -0.177 3.957 4.120 0.023 0.000 0.248 262 V C 2.988 178.957 176.094 -0.209 0.000 1.051 262 V CA 1.474 63.571 62.300 -0.339 0.000 1.048 262 V CB -0.590 31.015 31.823 -0.364 0.000 0.666 262 V HN 0.241 nan 8.190 nan 0.000 0.456 263 I N 0.645 121.108 120.570 -0.178 0.000 2.226 263 I HA -0.247 3.937 4.170 0.023 0.000 0.245 263 I C 2.711 178.747 176.117 -0.135 0.000 1.100 263 I CA 1.421 62.644 61.300 -0.129 0.000 1.374 263 I CB -0.593 37.360 38.000 -0.077 0.000 1.057 263 I HN 0.292 nan 8.210 nan 0.000 0.413 264 A N 0.903 123.664 122.820 -0.099 0.000 1.892 264 A HA -0.257 4.077 4.320 0.023 0.000 0.218 264 A C 2.552 180.060 177.584 -0.126 0.000 1.188 264 A CA 2.187 54.175 52.037 -0.082 0.000 0.631 264 A CB -0.969 18.010 19.000 -0.035 0.000 0.822 264 A HN 0.447 nan 8.150 nan 0.000 0.447 265 A N -0.518 122.222 122.820 -0.134 0.000 1.933 265 A HA -0.167 4.167 4.320 0.023 0.000 0.218 265 A C 2.101 179.528 177.584 -0.261 0.000 1.175 265 A CA 1.856 53.802 52.037 -0.151 0.000 0.628 265 A CB -0.420 18.510 19.000 -0.116 0.000 0.814 265 A HN 0.584 nan 8.150 nan 0.000 0.444 266 K N -0.298 119.887 120.400 -0.357 0.000 2.026 266 K HA -0.081 4.253 4.320 0.023 0.000 0.208 266 K C 2.381 178.349 176.600 -1.053 0.000 1.048 266 K CA 1.156 57.001 56.287 -0.736 0.000 0.929 266 K CB -0.397 31.729 32.500 -0.623 0.000 0.713 266 K HN 0.426 nan 8.250 nan 0.000 0.439 267 A N 1.211 123.701 122.820 -0.550 0.000 1.892 267 A HA -0.185 4.149 4.320 0.023 0.000 0.218 267 A C 2.419 179.878 177.584 -0.208 0.000 1.188 267 A CA 1.912 53.779 52.037 -0.284 0.000 0.631 267 A CB -0.922 18.014 19.000 -0.107 0.000 0.822 267 A HN 0.095 nan 8.150 nan 0.000 0.447 268 V N -0.247 119.551 119.914 -0.194 0.000 2.295 268 V HA -0.265 3.869 4.120 0.023 0.000 0.246 268 V C 3.067 179.088 176.094 -0.123 0.000 1.049 268 V CA 2.083 64.311 62.300 -0.120 0.000 1.024 268 V CB -1.379 30.388 31.823 -0.094 0.000 0.648 268 V HN 0.647 nan 8.190 nan 0.000 0.447 269 A N -0.477 122.224 122.820 -0.198 0.000 1.940 269 A HA -0.187 4.147 4.320 0.023 0.000 0.219 269 A C 2.144 179.710 177.584 -0.030 0.000 1.176 269 A CA 1.891 53.845 52.037 -0.139 0.000 0.631 269 A CB -0.760 18.142 19.000 -0.163 0.000 0.814 269 A HN 0.554 nan 8.150 nan 0.000 0.446 270 F N -0.070 119.814 119.950 -0.110 0.000 2.146 270 F HA -0.091 4.458 4.527 0.035 0.000 0.298 270 F C 2.742 178.450 175.800 -0.153 0.000 1.096 270 F CA 0.235 58.152 58.000 -0.139 0.000 1.275 270 F CB -0.585 38.370 39.000 -0.074 0.000 1.008 270 F HN 0.370 nan 8.300 nan 0.000 0.480 271 G N 0.365 109.206 108.800 0.068 0.000 2.446 271 G HA2 -0.256 3.718 3.960 0.023 0.000 0.217 271 G HA3 -0.256 3.718 3.960 0.023 0.000 0.217 271 G C 1.372 176.258 174.900 -0.024 0.000 1.168 271 G CA 0.977 46.084 45.100 0.011 0.000 0.771 271 G HN 0.345 nan 8.290 nan 0.000 0.551 272 E N 0.513 120.686 120.200 -0.045 0.000 2.077 272 E HA -0.052 4.312 4.350 0.023 0.000 0.193 272 E C 2.899 179.426 176.600 -0.122 0.000 0.989 272 E CA 0.805 57.177 56.400 -0.046 0.000 0.800 272 E CB -0.208 29.472 29.700 -0.033 0.000 0.746 272 E HN 0.422 nan 8.360 nan 0.000 0.452 273 A N 0.919 123.523 122.820 -0.360 0.000 2.015 273 A HA -0.107 4.226 4.320 0.023 0.000 0.219 273 A C 2.090 179.504 177.584 -0.284 0.000 1.163 273 A CA 0.824 52.383 52.037 -0.796 0.000 0.646 273 A CB -0.426 18.012 19.000 -0.937 0.000 0.806 273 A HN 0.141 nan 8.150 nan 0.000 0.448 274 L N -0.527 120.608 121.223 -0.146 0.000 2.376 274 L HA -0.081 4.273 4.340 0.023 0.000 0.219 274 L C 0.974 177.846 176.870 0.005 0.000 1.133 274 L CA 0.246 55.045 54.840 -0.069 0.000 0.816 274 L CB -0.268 41.759 42.059 -0.054 0.000 0.933 274 L HN 0.489 nan 8.230 nan 0.000 0.449 275 Q N -0.155 119.670 119.800 0.041 0.000 2.354 275 Q HA -0.023 4.331 4.340 0.023 0.000 0.244 275 Q C 0.462 176.536 176.000 0.124 0.000 0.969 275 Q CA -0.564 55.285 55.803 0.077 0.000 0.885 275 Q CB 0.939 29.727 28.738 0.082 0.000 1.241 275 Q HN 0.038 nan 8.270 nan 0.000 0.461 276 D N 1.585 122.040 120.400 0.093 0.000 2.149 276 D HA -0.191 4.463 4.640 0.023 0.000 0.198 276 D C 1.286 177.658 176.300 0.119 0.000 0.990 276 D CA 1.602 55.658 54.000 0.094 0.000 0.839 276 D CB -0.113 40.725 40.800 0.063 0.000 0.948 276 D HN 0.659 nan 8.370 nan 0.000 0.460 277 D N -0.087 120.388 120.400 0.124 0.000 2.219 277 D HA -0.184 4.470 4.640 0.023 0.000 0.205 277 D C 1.962 178.373 176.300 0.185 0.000 0.970 277 D CA 0.300 54.377 54.000 0.128 0.000 0.851 277 D CB -0.992 39.869 40.800 0.102 0.000 0.943 277 D HN 0.265 nan 8.370 nan 0.000 0.488 278 F N 1.308 121.317 119.950 0.099 0.000 2.186 278 F HA 0.004 4.544 4.527 0.022 0.000 0.299 278 F C 2.099 178.011 175.800 0.186 0.000 1.090 278 F CA 1.231 59.329 58.000 0.163 0.000 1.307 278 F CB 0.045 39.112 39.000 0.113 0.000 1.019 278 F HN -0.195 nan 8.300 nan 0.000 0.489 279 K N 0.141 120.663 120.400 0.203 0.000 2.057 279 K HA -0.128 4.206 4.320 0.023 0.000 0.207 279 K C 2.318 178.912 176.600 -0.010 0.000 1.049 279 K CA 1.234 57.572 56.287 0.085 0.000 0.931 279 K CB -0.531 32.036 32.500 0.112 0.000 0.714 279 K HN 0.329 nan 8.250 nan 0.000 0.440 280 A N 0.806 123.643 122.820 0.028 0.000 1.902 280 A HA -0.219 4.114 4.320 0.023 0.000 0.217 280 A C 2.093 179.667 177.584 -0.017 0.000 1.181 280 A CA 1.494 53.540 52.037 0.015 0.000 0.623 280 A CB -0.821 18.208 19.000 0.049 0.000 0.818 280 A HN 0.469 nan 8.150 nan 0.000 0.443 281 Y N 0.819 121.034 120.300 -0.142 0.000 2.097 281 Y HA -0.147 4.420 4.550 0.028 0.000 0.282 281 Y C 2.587 178.338 175.900 -0.249 0.000 1.152 281 Y CA 1.518 59.501 58.100 -0.195 0.000 1.136 281 Y CB -0.818 37.482 38.460 -0.266 0.000 0.975 281 Y HN 0.284 nan 8.280 nan 0.000 0.498 282 A N 0.654 123.041 122.820 -0.721 0.000 1.940 282 A HA -0.238 4.096 4.320 0.023 0.000 0.219 282 A C 2.369 179.733 177.584 -0.368 0.000 1.176 282 A CA 2.006 53.633 52.037 -0.683 0.000 0.631 282 A CB -0.867 17.864 19.000 -0.449 0.000 0.814 282 A HN 0.583 nan 8.150 nan 0.000 0.446 283 K N -0.441 119.825 120.400 -0.223 0.000 2.057 283 K HA -0.144 4.190 4.320 0.023 0.000 0.207 283 K C 2.269 178.795 176.600 -0.124 0.000 1.049 283 K CA 1.338 57.553 56.287 -0.120 0.000 0.931 283 K CB -0.178 32.286 32.500 -0.060 0.000 0.714 283 K HN 0.455 nan 8.250 nan 0.000 0.440 284 R N 0.199 120.609 120.500 -0.150 0.000 2.096 284 R HA -0.090 4.263 4.340 0.023 0.000 0.235 284 R C 2.284 178.504 176.300 -0.134 0.000 1.127 284 R CA 1.211 57.250 56.100 -0.102 0.000 0.968 284 R CB -0.337 29.936 30.300 -0.045 0.000 0.861 284 R HN 0.063 nan 8.270 nan 0.000 0.440 285 V N 0.650 120.393 119.914 -0.286 0.000 2.252 285 V HA -0.256 3.878 4.120 0.023 0.000 0.249 285 V C 2.384 178.424 176.094 -0.090 0.000 1.056 285 V CA 1.870 64.031 62.300 -0.231 0.000 1.022 285 V CB -0.414 31.172 31.823 -0.396 0.000 0.641 285 V HN 0.120 nan 8.190 nan 0.000 0.445 286 V N 0.037 119.900 119.914 -0.085 0.000 2.307 286 V HA -0.237 3.897 4.120 0.023 0.000 0.245 286 V C 2.298 178.382 176.094 -0.017 0.000 1.045 286 V CA 2.155 64.442 62.300 -0.023 0.000 1.024 286 V CB -0.769 31.047 31.823 -0.011 0.000 0.651 286 V HN 0.537 nan 8.190 nan 0.000 0.449 287 D N 0.398 120.782 120.400 -0.027 0.000 2.104 287 D HA -0.160 4.493 4.640 0.023 0.000 0.194 287 D C 2.073 178.372 176.300 -0.001 0.000 0.994 287 D CA 1.346 55.339 54.000 -0.012 0.000 0.830 287 D CB -0.450 40.343 40.800 -0.012 0.000 0.959 287 D HN 0.353 nan 8.370 nan 0.000 0.452 288 N N 0.478 119.179 118.700 0.001 0.000 2.120 288 N HA -0.088 4.666 4.740 0.023 0.000 0.188 288 N C 1.701 177.223 175.510 0.020 0.000 1.024 288 N CA 1.269 54.333 53.050 0.023 0.000 0.852 288 N CB -0.419 38.093 38.487 0.041 0.000 1.003 288 N HN 0.142 nan 8.380 nan 0.000 0.424 289 A N 0.987 123.813 122.820 0.009 0.000 1.902 289 A HA -0.138 4.196 4.320 0.023 0.000 0.217 289 A C 2.203 179.786 177.584 -0.002 0.000 1.181 289 A CA 1.564 53.602 52.037 0.001 0.000 0.623 289 A CB -0.381 18.617 19.000 -0.003 0.000 0.818 289 A HN 0.152 nan 8.150 nan 0.000 0.443 290 K N -0.651 119.748 120.400 -0.000 0.000 2.057 290 K HA -0.125 4.209 4.320 0.023 0.000 0.207 290 K C 2.252 178.856 176.600 0.007 0.000 1.049 290 K CA 1.641 57.929 56.287 0.001 0.000 0.931 290 K CB -0.199 32.302 32.500 0.001 0.000 0.714 290 K HN 0.357 nan 8.250 nan 0.000 0.440 291 R N 0.689 121.196 120.500 0.012 0.000 2.073 291 R HA -0.072 4.282 4.340 0.023 0.000 0.234 291 R C 1.969 178.283 176.300 0.023 0.000 1.134 291 R CA 1.227 57.337 56.100 0.018 0.000 0.952 291 R CB -0.860 29.452 30.300 0.020 0.000 0.850 291 R HN 0.178 nan 8.270 nan 0.000 0.433 292 L N 0.288 121.525 121.223 0.023 0.000 2.046 292 L HA 0.024 4.378 4.340 0.023 0.000 0.208 292 L C 2.093 178.974 176.870 0.019 0.000 1.077 292 L CA 2.197 57.052 54.840 0.024 0.000 0.747 292 L CB -1.134 40.937 42.059 0.020 0.000 0.896 292 L HN 0.279 nan 8.230 nan 0.000 0.432 293 A N -1.360 121.466 122.820 0.010 0.000 1.873 293 A HA -0.248 4.086 4.320 0.023 0.000 0.218 293 A C 2.409 180.012 177.584 0.032 0.000 1.193 293 A CA 2.343 54.386 52.037 0.011 0.000 0.629 293 A CB -1.181 17.819 19.000 -0.001 0.000 0.826 293 A HN 0.524 nan 8.150 nan 0.000 0.447 294 S N -0.305 115.411 115.700 0.027 0.000 2.370 294 S HA -0.070 4.414 4.470 0.023 0.000 0.226 294 S C 2.304 176.931 174.600 0.045 0.000 1.033 294 S CA 1.315 59.534 58.200 0.032 0.000 1.011 294 S CB -0.531 62.682 63.200 0.022 0.000 0.852 294 S HN 0.828 nan 8.310 nan 0.000 0.457 295 A N 1.214 124.062 122.820 0.046 0.000 1.933 295 A HA 0.004 4.337 4.320 0.023 0.000 0.218 295 A C 2.116 179.760 177.584 0.099 0.000 1.175 295 A CA 1.101 53.173 52.037 0.059 0.000 0.628 295 A CB -0.676 18.354 19.000 0.049 0.000 0.814 295 A HN 0.452 nan 8.150 nan 0.000 0.444 296 L N -0.983 120.308 121.223 0.115 0.000 2.046 296 L HA -0.251 4.103 4.340 0.023 0.000 0.208 296 L C 2.891 179.925 176.870 0.274 0.000 1.077 296 L CA 1.565 56.540 54.840 0.224 0.000 0.747 296 L CB -0.535 41.589 42.059 0.109 0.000 0.896 296 L HN 0.480 nan 8.230 nan 0.000 0.432 297 Q N -0.447 119.443 119.800 0.151 0.000 2.124 297 Q HA -0.237 4.117 4.340 0.023 0.000 0.202 297 Q C 2.033 178.071 176.000 0.062 0.000 0.977 297 Q CA 1.595 57.461 55.803 0.106 0.000 0.850 297 Q CB -0.291 28.487 28.738 0.067 0.000 0.901 297 Q HN 0.502 nan 8.270 nan 0.000 0.429 298 N N 0.397 119.131 118.700 0.058 0.000 2.205 298 N HA -0.183 4.571 4.740 0.023 0.000 0.186 298 N C 1.114 176.632 175.510 0.013 0.000 1.015 298 N CA 0.800 53.869 53.050 0.030 0.000 0.862 298 N CB 0.226 38.733 38.487 0.033 0.000 0.986 298 N HN 0.206 nan 8.380 nan 0.000 0.429 299 E N -0.277 119.947 120.200 0.041 0.000 2.482 299 E HA -0.001 4.363 4.350 0.023 0.000 0.196 299 E C 1.089 177.542 176.600 -0.244 0.000 1.047 299 E CA 0.634 57.014 56.400 -0.033 0.000 0.869 299 E CB -0.032 29.745 29.700 0.129 0.000 0.836 299 E HN 0.592 nan 8.360 nan 0.000 0.520 300 G N 0.880 109.575 108.800 -0.176 0.000 2.144 300 G HA2 -0.240 3.734 3.960 0.023 0.000 0.218 300 G HA3 -0.240 3.734 3.960 0.023 0.000 0.218 300 G C -0.054 174.682 174.900 -0.273 0.000 0.988 300 G CA -0.286 44.676 45.100 -0.229 0.000 0.659 300 G HN 0.133 nan 8.290 nan 0.000 0.522 301 F N 1.724 121.678 119.950 0.007 0.000 2.399 301 F HA 0.564 5.105 4.527 0.024 0.000 0.342 301 F C 1.195 177.001 175.800 0.010 0.000 1.106 301 F CA 0.022 58.027 58.000 0.008 0.000 1.196 301 F CB 1.263 40.267 39.000 0.006 0.000 1.163 301 F HN -0.075 nan 8.300 nan 0.000 0.547 302 T N 4.798 119.482 114.554 0.216 0.000 2.806 302 T HA 0.535 4.899 4.350 0.023 0.000 0.290 302 T C -0.141 174.631 174.700 0.120 0.000 0.966 302 T CA -0.507 61.673 62.100 0.134 0.000 1.060 302 T CB 0.353 69.284 68.868 0.104 0.000 0.927 302 T HN 0.273 nan 8.240 nan 0.000 0.485 303 L N 2.980 124.258 121.223 0.092 0.000 2.317 303 L HA 0.499 4.853 4.340 0.023 0.000 0.281 303 L C 0.142 177.056 176.870 0.074 0.000 1.024 303 L CA -1.332 53.542 54.840 0.056 0.000 0.810 303 L CB 1.506 43.588 42.059 0.038 0.000 1.240 303 L HN 0.317 nan 8.230 nan 0.000 0.427 304 V N 2.760 122.688 119.914 0.023 0.000 2.617 304 V HA -0.069 4.065 4.120 0.023 0.000 0.304 304 V C 1.161 177.338 176.094 0.138 0.000 1.040 304 V CA 1.245 63.557 62.300 0.020 0.000 1.149 304 V CB 0.869 32.598 31.823 -0.157 0.000 0.914 304 V HN 1.174 nan 8.190 nan 0.000 0.487 305 S N 2.537 118.479 115.700 0.404 0.000 2.981 305 S HA -0.222 4.262 4.470 0.023 0.000 0.274 305 S C 1.348 175.995 174.600 0.077 0.000 1.297 305 S CA 1.204 59.517 58.200 0.189 0.000 1.266 305 S CB -1.951 61.291 63.200 0.070 0.000 1.542 305 S HN 2.835 nan 8.310 nan 0.000 0.674 306 G N -0.414 108.438 108.800 0.087 0.000 2.148 306 G HA2 0.306 4.279 3.960 0.023 0.000 0.254 306 G HA3 0.306 4.279 3.960 0.023 0.000 0.254 306 G C 1.011 175.924 174.900 0.023 0.000 0.981 306 G CA 0.652 45.779 45.100 0.045 0.000 0.670 306 G HN 2.626 nan 8.290 nan 0.000 0.528 307 G N -2.684 106.122 108.800 0.010 0.000 2.441 307 G HA2 0.658 4.632 3.960 0.023 0.000 0.222 307 G HA3 0.658 4.632 3.960 0.023 0.000 0.222 307 G C -0.544 174.333 174.900 -0.038 0.000 1.254 307 G CA 0.934 46.029 45.100 -0.009 0.000 0.959 307 G HN 1.907 nan 8.290 nan 0.000 0.474 308 T N -0.997 113.532 114.554 -0.043 0.000 2.942 308 T HA 0.560 4.924 4.350 0.023 0.000 0.327 308 T C -1.193 173.481 174.700 -0.043 0.000 1.360 308 T CA 0.116 62.178 62.100 -0.064 0.000 1.055 308 T CB 1.868 70.695 68.868 -0.068 0.000 1.261 308 T HN 0.305 nan 8.240 nan 0.000 0.485 309 D N 1.964 122.338 120.400 -0.044 0.000 2.398 309 D HA 0.194 4.848 4.640 0.023 0.000 0.210 309 D C 0.667 176.997 176.300 0.049 0.000 1.094 309 D CA 0.249 54.245 54.000 -0.007 0.000 0.839 309 D CB 0.521 41.310 40.800 -0.018 0.000 0.963 309 D HN 0.672 nan 8.370 nan 0.000 0.506 310 N N -0.739 117.994 118.700 0.055 0.000 3.567 310 N HA -0.020 4.734 4.740 0.023 0.000 0.347 310 N C 0.955 176.540 175.510 0.126 0.000 1.553 310 N CA -0.342 52.800 53.050 0.153 0.000 0.636 310 N CB -0.194 38.464 38.487 0.284 0.000 2.483 310 N HN -0.156 nan 8.380 nan 0.000 0.608 311 H N -0.949 118.137 119.070 0.027 0.000 2.551 311 H HA 0.331 4.901 4.556 0.024 0.000 0.266 311 H C 0.027 175.364 175.328 0.015 0.000 0.964 311 H CA -0.074 55.980 56.048 0.011 0.000 1.180 311 H CB -0.371 29.407 29.762 0.027 0.000 1.408 311 H HN 0.513 nan 8.280 nan 0.000 0.563 312 L N -0.035 120.890 121.223 -0.498 0.000 2.333 312 L HA 0.683 5.037 4.340 0.023 0.000 0.263 312 L C -1.144 175.589 176.870 -0.228 0.000 1.014 312 L CA -1.608 52.984 54.840 -0.413 0.000 0.820 312 L CB 2.281 43.979 42.059 -0.603 0.000 1.352 312 L HN 0.032 nan 8.230 nan 0.000 0.421 313 L N 0.230 121.356 121.223 -0.162 0.000 2.415 313 L HA 0.883 5.237 4.340 0.023 0.000 0.256 313 L C -1.568 175.237 176.870 -0.108 0.000 1.010 313 L CA -0.819 53.950 54.840 -0.118 0.000 0.826 313 L CB 1.998 44.007 42.059 -0.084 0.000 1.405 313 L HN 0.626 nan 8.230 nan 0.000 0.410 314 L N 1.805 122.972 121.223 -0.093 0.000 2.356 314 L HA 0.718 5.072 4.340 0.023 0.000 0.277 314 L C -0.712 176.114 176.870 -0.073 0.000 0.996 314 L CA -0.850 53.937 54.840 -0.088 0.000 0.822 314 L CB 2.139 44.144 42.059 -0.091 0.000 1.256 314 L HN 0.457 nan 8.230 nan 0.000 0.413 315 V N 1.316 121.180 119.914 -0.083 0.000 2.432 315 V HA 0.167 4.301 4.120 0.023 0.000 0.275 315 V C -0.197 175.879 176.094 -0.030 0.000 1.043 315 V CA -0.404 61.857 62.300 -0.066 0.000 0.925 315 V CB 1.472 33.199 31.823 -0.160 0.000 0.985 315 V HN 0.653 nan 8.190 nan 0.000 0.466 316 D N 4.511 124.918 120.400 0.013 0.000 2.380 316 D HA 0.226 4.880 4.640 0.023 0.000 0.230 316 D C 0.590 176.934 176.300 0.073 0.000 1.154 316 D CA -0.071 53.943 54.000 0.024 0.000 0.859 316 D CB 1.101 41.918 40.800 0.029 0.000 1.045 316 D HN 0.455 nan 8.370 nan 0.000 0.495 317 L N 3.588 124.849 121.223 0.062 0.000 2.591 317 L HA 0.175 4.529 4.340 0.023 0.000 0.228 317 L C 2.306 179.226 176.870 0.083 0.000 1.133 317 L CA -0.107 54.793 54.840 0.100 0.000 0.880 317 L CB -0.001 42.103 42.059 0.075 0.000 1.033 317 L HN 0.280 nan 8.230 nan 0.000 0.450 318 R N 0.623 121.161 120.500 0.062 0.000 2.103 318 R HA -0.169 4.185 4.340 0.023 0.000 0.242 318 R C -0.393 175.936 176.300 0.048 0.000 1.142 318 R CA 1.493 57.623 56.100 0.051 0.000 0.960 318 R CB -1.456 28.871 30.300 0.046 0.000 0.858 318 R HN 0.322 nan 8.270 nan 0.000 0.439 319 P HA -0.124 nan 4.420 nan 0.000 0.219 319 P C 0.538 177.852 177.300 0.024 0.000 1.146 319 P CA 1.207 64.327 63.100 0.033 0.000 0.808 319 P CB 0.147 31.865 31.700 0.030 0.000 0.779 320 Q N -1.124 118.704 119.800 0.046 0.000 2.360 320 Q HA 0.105 4.459 4.340 0.023 0.000 0.202 320 Q C 0.304 176.329 176.000 0.042 0.000 0.915 320 Q CA 0.131 55.959 55.803 0.042 0.000 0.943 320 Q CB -0.456 28.336 28.738 0.091 0.000 1.064 320 Q HN 0.109 nan 8.270 nan 0.000 0.511 321 Q N -0.308 119.515 119.800 0.040 0.000 2.457 321 Q HA -0.220 4.134 4.340 0.023 0.000 0.283 321 Q C -0.929 175.094 176.000 0.039 0.000 1.234 321 Q CA 0.780 56.603 55.803 0.035 0.000 0.877 321 Q CB -1.916 26.837 28.738 0.025 0.000 1.250 321 Q HN 0.405 nan 8.270 nan 0.000 0.481 322 L N -0.017 121.236 121.223 0.050 0.000 2.342 322 L HA 0.512 4.866 4.340 0.023 0.000 0.271 322 L C 0.971 177.866 176.870 0.042 0.000 1.008 322 L CA -0.664 54.206 54.840 0.049 0.000 0.818 322 L CB 1.870 43.968 42.059 0.064 0.000 1.296 322 L HN 0.091 nan 8.230 nan 0.000 0.427 323 T N -1.854 112.720 114.554 0.034 0.000 2.899 323 T HA 0.269 4.633 4.350 0.023 0.000 0.284 323 T C 1.226 175.938 174.700 0.021 0.000 1.004 323 T CA -0.103 62.014 62.100 0.028 0.000 1.043 323 T CB 1.652 70.537 68.868 0.029 0.000 1.013 323 T HN 0.702 nan 8.240 nan 0.000 0.518 324 G N 0.287 109.094 108.800 0.011 0.000 2.422 324 G HA2 -0.209 3.765 3.960 0.023 0.000 0.218 324 G HA3 -0.209 3.765 3.960 0.023 0.000 0.218 324 G C 1.364 176.267 174.900 0.004 0.000 1.146 324 G CA 0.883 45.983 45.100 -0.001 0.000 0.769 324 G HN 0.847 nan 8.290 nan 0.000 0.547 325 K N -0.201 120.209 120.400 0.015 0.000 2.032 325 K HA -0.108 4.226 4.320 0.023 0.000 0.209 325 K C 2.566 179.178 176.600 0.021 0.000 1.048 325 K CA 1.754 58.054 56.287 0.022 0.000 0.927 325 K CB -0.315 32.206 32.500 0.036 0.000 0.712 325 K HN 0.268 nan 8.250 nan 0.000 0.441 326 T N 0.671 115.239 114.554 0.023 0.000 2.708 326 T HA -0.112 4.252 4.350 0.023 0.000 0.266 326 T C 1.833 176.546 174.700 0.021 0.000 1.037 326 T CA 1.323 63.437 62.100 0.024 0.000 1.146 326 T CB -0.281 68.604 68.868 0.028 0.000 0.865 326 T HN 0.425 nan 8.240 nan 0.000 0.435 327 A N 1.374 124.205 122.820 0.018 0.000 1.877 327 A HA -0.144 4.189 4.320 0.023 0.000 0.216 327 A C 2.215 179.800 177.584 0.001 0.000 1.186 327 A CA 1.963 54.006 52.037 0.010 0.000 0.620 327 A CB -0.708 18.291 19.000 -0.003 0.000 0.822 327 A HN 0.619 nan 8.150 nan 0.000 0.443 328 E N -0.043 120.156 120.200 -0.002 0.000 2.070 328 E HA -0.294 4.070 4.350 0.023 0.000 0.197 328 E C 2.099 178.703 176.600 0.006 0.000 1.004 328 E CA 1.789 58.188 56.400 -0.002 0.000 0.805 328 E CB -0.176 29.524 29.700 -0.001 0.000 0.744 328 E HN 0.628 nan 8.360 nan 0.000 0.451 329 K N 0.193 120.600 120.400 0.012 0.000 2.009 329 K HA -0.148 4.186 4.320 0.023 0.000 0.210 329 K C 2.173 178.782 176.600 0.015 0.000 1.049 329 K CA 1.538 57.834 56.287 0.015 0.000 0.929 329 K CB -0.292 32.219 32.500 0.018 0.000 0.714 329 K HN 0.149 nan 8.250 nan 0.000 0.440 330 V N 1.350 121.274 119.914 0.017 0.000 2.427 330 V HA -0.163 3.971 4.120 0.023 0.000 0.248 330 V C 2.086 178.191 176.094 0.018 0.000 1.051 330 V CA 1.372 63.684 62.300 0.020 0.000 1.048 330 V CB -0.180 31.658 31.823 0.025 0.000 0.666 330 V HN 0.348 nan 8.190 nan 0.000 0.456 331 L N 0.163 121.394 121.223 0.013 0.000 2.083 331 L HA -0.185 4.169 4.340 0.023 0.000 0.209 331 L C 2.364 179.242 176.870 0.012 0.000 1.083 331 L CA 2.220 57.066 54.840 0.010 0.000 0.752 331 L CB -0.716 41.341 42.059 -0.003 0.000 0.899 331 L HN 0.461 nan 8.230 nan 0.000 0.433 332 D N 0.224 120.630 120.400 0.011 0.000 2.158 332 D HA -0.241 4.413 4.640 0.023 0.000 0.197 332 D C 1.978 178.287 176.300 0.015 0.000 0.995 332 D CA 1.321 55.329 54.000 0.013 0.000 0.846 332 D CB 0.102 40.910 40.800 0.013 0.000 0.941 332 D HN 0.322 nan 8.370 nan 0.000 0.456 333 E N -0.586 119.624 120.200 0.016 0.000 2.204 333 E HA -0.125 4.239 4.350 0.023 0.000 0.195 333 E C 1.991 178.602 176.600 0.018 0.000 0.990 333 E CA 1.193 57.603 56.400 0.017 0.000 0.821 333 E CB 0.143 29.854 29.700 0.017 0.000 0.750 333 E HN 0.472 nan 8.360 nan 0.000 0.477 334 V N -3.815 116.111 119.914 0.020 0.000 3.578 334 V HA 0.455 4.589 4.120 0.023 0.000 0.290 334 V C 1.088 177.195 176.094 0.023 0.000 1.376 334 V CA 0.406 62.719 62.300 0.022 0.000 1.083 334 V CB 0.337 32.175 31.823 0.025 0.000 0.911 334 V HN 0.220 nan 8.190 nan 0.000 0.433 335 G N 0.958 109.771 108.800 0.022 0.000 2.131 335 G HA2 -0.177 3.796 3.960 0.023 0.000 0.201 335 G HA3 -0.177 3.796 3.960 0.023 0.000 0.201 335 G C -0.237 174.678 174.900 0.025 0.000 1.000 335 G CA 0.149 45.262 45.100 0.023 0.000 0.680 335 G HN 0.597 nan 8.290 nan 0.000 0.514 336 I N 1.885 122.468 120.570 0.023 0.000 2.362 336 I HA 0.369 4.553 4.170 0.023 0.000 0.289 336 I C 0.070 176.194 176.117 0.011 0.000 0.994 336 I CA -0.634 60.678 61.300 0.020 0.000 1.158 336 I CB 1.863 39.874 38.000 0.019 0.000 1.315 336 I HN 0.032 nan 8.210 nan 0.000 0.451 337 T N 6.358 120.918 114.554 0.010 0.000 2.753 337 T HA 0.502 4.866 4.350 0.023 0.000 0.297 337 T C -0.005 174.693 174.700 -0.004 0.000 0.981 337 T CA -0.566 61.537 62.100 0.005 0.000 0.956 337 T CB 1.022 69.896 68.868 0.010 0.000 0.936 337 T HN 0.445 nan 8.240 nan 0.000 0.463 338 V N 1.341 121.249 119.914 -0.010 0.000 3.158 338 V HA 0.719 4.853 4.120 0.023 0.000 0.311 338 V C -0.861 175.224 176.094 -0.014 0.000 1.181 338 V CA -1.472 60.817 62.300 -0.019 0.000 1.054 338 V CB 2.067 33.868 31.823 -0.036 0.000 1.085 338 V HN 0.702 nan 8.190 nan 0.000 0.446 339 N N 0.947 119.637 118.700 -0.018 0.000 2.405 339 N HA 0.474 5.228 4.740 0.023 0.000 0.299 339 N C -0.838 174.655 175.510 -0.028 0.000 1.075 339 N CA -0.954 52.086 53.050 -0.017 0.000 0.884 339 N CB 1.516 39.996 38.487 -0.012 0.000 1.194 339 N HN 0.882 nan 8.380 nan 0.000 0.491 340 K N 0.598 120.983 120.400 -0.025 0.000 2.414 340 K HA 0.560 4.894 4.320 0.023 0.000 0.272 340 K C -0.933 175.639 176.600 -0.045 0.000 0.993 340 K CA -0.569 55.700 56.287 -0.031 0.000 0.964 340 K CB 0.713 33.201 32.500 -0.019 0.000 0.925 340 K HN 0.414 nan 8.250 nan 0.000 0.487 341 A N 2.166 124.956 122.820 -0.051 0.000 2.488 341 A HA 0.335 4.669 4.320 0.023 0.000 0.295 341 A C -0.800 176.747 177.584 -0.062 0.000 1.045 341 A CA -0.915 51.085 52.037 -0.062 0.000 0.703 341 A CB 1.595 20.558 19.000 -0.062 0.000 1.271 341 A HN 0.695 nan 8.150 nan 0.000 0.400 342 T N 2.897 117.408 114.554 -0.071 0.000 2.916 342 T HA 0.409 4.773 4.350 0.023 0.000 0.303 342 T C 0.666 175.324 174.700 -0.069 0.000 1.025 342 T CA 0.696 62.758 62.100 -0.064 0.000 1.142 342 T CB -0.396 68.429 68.868 -0.071 0.000 0.947 342 T HN 0.694 nan 8.240 nan 0.000 0.544 343 I N 1.375 121.901 120.570 -0.072 0.000 2.676 343 I HA 0.606 4.790 4.170 0.023 0.000 0.309 343 I C -2.765 173.268 176.117 -0.140 0.000 0.990 343 I CA -3.491 57.738 61.300 -0.119 0.000 1.168 343 I CB 0.970 38.898 38.000 -0.120 0.000 1.343 343 I HN 0.277 nan 8.210 nan 0.000 0.482 344 P HA 0.030 nan 4.420 nan 0.000 0.264 344 P C -1.276 175.976 177.300 -0.081 0.000 1.193 344 P CA 0.710 63.573 63.100 -0.395 0.000 0.763 344 P CB -0.221 31.249 31.700 -0.383 0.000 0.810 345 Y N -0.370 119.903 120.300 -0.045 0.000 3.929 345 Y HA -0.261 4.304 4.550 0.024 0.000 0.225 345 Y C 0.819 176.734 175.900 0.025 0.000 1.200 345 Y CA 0.286 58.412 58.100 0.044 0.000 1.791 345 Y CB -2.420 36.064 38.460 0.040 0.000 1.561 345 Y HN 0.395 nan 8.280 nan 0.000 0.657 346 D N 2.091 122.533 120.400 0.070 0.000 2.450 346 D HA 0.021 4.675 4.640 0.023 0.000 0.247 346 D C -0.750 175.587 176.300 0.061 0.000 1.162 346 D CA -0.847 53.181 54.000 0.047 0.000 0.879 346 D CB 1.123 41.927 40.800 0.006 0.000 1.163 346 D HN 0.171 nan 8.370 nan 0.000 0.472 347 P HA -0.011 nan 4.420 nan 0.000 0.225 347 P C 0.073 177.401 177.300 0.046 0.000 1.156 347 P CA 0.537 63.670 63.100 0.057 0.000 0.787 347 P CB 0.583 32.314 31.700 0.052 0.000 0.802 348 E N 0.634 120.858 120.200 0.039 0.000 2.314 348 E HA 0.213 4.576 4.350 0.023 0.000 0.262 348 E C 0.532 177.157 176.600 0.043 0.000 1.093 348 E CA -0.320 56.104 56.400 0.040 0.000 0.908 348 E CB 0.902 30.623 29.700 0.036 0.000 1.091 348 E HN 0.091 nan 8.360 nan 0.000 0.425 349 S N 1.062 116.801 115.700 0.064 0.000 2.584 349 S HA 0.092 4.576 4.470 0.023 0.000 0.270 349 S C -1.617 173.019 174.600 0.060 0.000 1.346 349 S CA -0.951 57.305 58.200 0.093 0.000 1.018 349 S CB 0.707 64.007 63.200 0.168 0.000 0.899 349 S HN 0.260 nan 8.310 nan 0.000 0.542 350 P HA -0.018 nan 4.420 nan 0.000 0.228 350 P C 0.549 177.681 177.300 -0.281 0.000 1.151 350 P CA 0.994 63.987 63.100 -0.178 0.000 0.770 350 P CB -0.209 31.305 31.700 -0.309 0.000 0.786 351 F N -1.509 118.430 119.950 -0.017 0.000 2.776 351 F HA 0.039 4.580 4.527 0.023 0.000 0.300 351 F C 2.123 177.917 175.800 -0.009 0.000 1.116 351 F CA 0.373 58.364 58.000 -0.014 0.000 1.375 351 F CB -0.114 38.878 39.000 -0.013 0.000 1.109 351 F HN -0.263 nan 8.300 nan 0.000 0.585 352 V N -1.887 118.107 119.914 0.133 0.000 2.950 352 V HA 0.151 4.285 4.120 0.023 0.000 0.231 352 V C 0.630 176.745 176.094 0.035 0.000 1.205 352 V CA 0.885 63.233 62.300 0.080 0.000 1.239 352 V CB -0.059 31.809 31.823 0.075 0.000 1.050 352 V HN 0.369 nan 8.190 nan 0.000 0.498 353 T N -0.829 113.739 114.554 0.023 0.000 0.541 353 T HA -0.230 4.134 4.350 0.023 0.000 0.774 353 T C 0.191 174.895 174.700 0.007 0.000 0.992 353 T CA 0.410 62.510 62.100 -0.000 0.000 4.077 353 T CB -1.441 67.412 68.868 -0.025 0.000 2.303 353 T HN 0.333 nan 8.240 nan 0.000 0.398 354 S N 0.978 116.678 115.700 -0.000 0.000 2.578 354 S HA 0.575 5.059 4.470 0.023 0.000 0.231 354 S C 0.773 175.371 174.600 -0.003 0.000 0.994 354 S CA 0.004 58.208 58.200 0.007 0.000 0.956 354 S CB 0.637 63.846 63.200 0.014 0.000 0.870 354 S HN 1.219 nan 8.310 nan 0.000 0.494 355 G N 1.502 110.290 108.800 -0.019 0.000 2.680 355 G HA2 0.739 4.713 3.960 0.023 0.000 0.290 355 G HA3 0.739 4.713 3.960 0.023 0.000 0.290 355 G C -1.243 173.630 174.900 -0.044 0.000 1.355 355 G CA -0.901 44.178 45.100 -0.035 0.000 0.903 355 G HN 0.304 nan 8.290 nan 0.000 0.474 356 I N -2.042 118.490 120.570 -0.062 0.000 2.608 356 I HA 0.753 4.937 4.170 0.023 0.000 0.295 356 I C -0.434 175.637 176.117 -0.077 0.000 1.049 356 I CA -1.224 60.035 61.300 -0.069 0.000 1.063 356 I CB 2.536 40.487 38.000 -0.081 0.000 1.248 356 I HN 0.446 nan 8.210 nan 0.000 0.424 357 R N 5.629 126.090 120.500 -0.065 0.000 2.346 357 R HA 0.773 5.127 4.340 0.023 0.000 0.311 357 R C -1.586 174.679 176.300 -0.060 0.000 0.983 357 R CA -0.539 55.520 56.100 -0.068 0.000 0.880 357 R CB 1.324 31.589 30.300 -0.058 0.000 1.100 357 R HN 0.817 nan 8.270 nan 0.000 0.453 358 I N 2.504 123.031 120.570 -0.072 0.000 2.582 358 I HA 0.483 4.667 4.170 0.023 0.000 0.292 358 I C -0.034 176.047 176.117 -0.061 0.000 1.066 358 I CA -0.796 60.469 61.300 -0.058 0.000 1.053 358 I CB 2.520 40.479 38.000 -0.070 0.000 1.241 358 I HN 0.777 nan 8.210 nan 0.000 0.421 359 G N 1.175 109.961 108.800 -0.024 0.000 2.619 359 G HA2 0.504 4.478 3.960 0.023 0.000 0.296 359 G HA3 0.504 4.478 3.960 0.023 0.000 0.296 359 G C 0.059 174.976 174.900 0.028 0.000 1.334 359 G CA -0.260 44.840 45.100 -0.001 0.000 0.934 359 G HN 0.589 nan 8.290 nan 0.000 0.476 360 T N -2.151 112.434 114.554 0.051 0.000 3.054 360 T HA 0.369 4.732 4.350 0.023 0.000 0.255 360 T C 2.171 176.904 174.700 0.055 0.000 1.035 360 T CA 1.229 63.356 62.100 0.046 0.000 0.941 360 T CB 0.640 69.531 68.868 0.039 0.000 1.026 360 T HN 0.751 nan 8.240 nan 0.000 0.533 361 A N 1.993 124.862 122.820 0.082 0.000 1.883 361 A HA 0.213 4.547 4.320 0.023 0.000 0.217 361 A C 2.708 180.374 177.584 0.136 0.000 1.186 361 A CA 1.940 54.041 52.037 0.107 0.000 0.624 361 A CB -1.384 17.681 19.000 0.109 0.000 0.822 361 A HN 0.734 nan 8.150 nan 0.000 0.444 362 A N -0.170 122.653 122.820 0.005 0.000 1.855 362 A HA 0.015 4.349 4.320 0.023 0.000 0.215 362 A C 2.341 179.978 177.584 0.088 0.000 1.191 362 A CA 2.335 54.315 52.037 -0.096 0.000 0.613 362 A CB -1.358 17.423 19.000 -0.365 0.000 0.829 362 A HN 1.156 nan 8.150 nan 0.000 0.442 363 V N -2.269 117.627 119.914 -0.030 0.000 2.490 363 V HA -0.187 3.946 4.120 0.023 0.000 0.250 363 V C 2.156 178.210 176.094 -0.067 0.000 1.061 363 V CA 2.673 64.819 62.300 -0.256 0.000 1.064 363 V CB -1.940 29.668 31.823 -0.359 0.000 0.670 363 V HN 0.435 nan 8.190 nan 0.000 0.461 364 T N 0.471 115.092 114.554 0.113 0.000 2.777 364 T HA -0.152 4.212 4.350 0.023 0.000 0.266 364 T C 1.955 176.850 174.700 0.324 0.000 1.040 364 T CA 2.197 64.430 62.100 0.222 0.000 1.141 364 T CB -0.640 68.316 68.868 0.146 0.000 0.868 364 T HN 0.642 nan 8.240 nan 0.000 0.444 365 T N 2.420 117.188 114.554 0.356 0.000 2.759 365 T HA -0.144 4.220 4.350 0.023 0.000 0.269 365 T C 1.933 176.716 174.700 0.139 0.000 1.042 365 T CA 1.311 63.526 62.100 0.191 0.000 1.140 365 T CB -0.243 68.723 68.868 0.164 0.000 0.864 365 T HN 0.586 nan 8.240 nan 0.000 0.455 366 R N 1.042 121.618 120.500 0.127 0.000 2.323 366 R HA 0.273 4.627 4.340 0.023 0.000 0.198 366 R C 1.480 177.872 176.300 0.152 0.000 0.988 366 R CA 0.794 56.919 56.100 0.041 0.000 1.041 366 R CB -0.154 30.074 30.300 -0.120 0.000 0.926 366 R HN 0.370 nan 8.270 nan 0.000 0.476 367 G N 0.287 109.213 108.800 0.210 0.000 2.163 367 G HA2 -0.243 3.731 3.960 0.023 0.000 0.213 367 G HA3 -0.243 3.731 3.960 0.023 0.000 0.213 367 G C -0.038 175.074 174.900 0.354 0.000 0.991 367 G CA -0.412 44.835 45.100 0.246 0.000 0.653 367 G HN 0.307 nan 8.290 nan 0.000 0.518 368 F N 0.910 120.905 119.950 0.074 0.000 2.518 368 F HA 0.440 4.982 4.527 0.026 0.000 0.359 368 F C 1.501 177.330 175.800 0.049 0.000 1.118 368 F CA 0.335 58.368 58.000 0.055 0.000 1.287 368 F CB 1.019 40.053 39.000 0.058 0.000 1.132 368 F HN 0.225 nan 8.300 nan 0.000 0.587 369 G N 1.991 110.879 108.800 0.146 0.000 3.262 369 G HA2 0.394 4.368 3.960 0.023 0.000 0.229 369 G HA3 0.394 4.368 3.960 0.023 0.000 0.229 369 G C 0.494 175.426 174.900 0.052 0.000 1.280 369 G CA -0.789 44.363 45.100 0.086 0.000 0.951 369 G HN 0.559 nan 8.290 nan 0.000 0.589 370 L N 0.007 121.247 121.223 0.029 0.000 2.046 370 L HA -0.045 4.309 4.340 0.023 0.000 0.208 370 L C 2.796 179.668 176.870 0.004 0.000 1.077 370 L CA 1.093 55.945 54.840 0.020 0.000 0.747 370 L CB -0.315 41.752 42.059 0.014 0.000 0.896 370 L HN 0.383 nan 8.230 nan 0.000 0.432 371 E N 0.444 120.635 120.200 -0.016 0.000 2.077 371 E HA -0.210 4.154 4.350 0.023 0.000 0.193 371 E C 2.095 178.659 176.600 -0.060 0.000 0.989 371 E CA 1.177 57.556 56.400 -0.035 0.000 0.800 371 E CB -0.134 29.538 29.700 -0.047 0.000 0.746 371 E HN 0.480 nan 8.360 nan 0.000 0.452 372 E N 0.168 120.308 120.200 -0.101 0.000 2.110 372 E HA -0.110 4.254 4.350 0.023 0.000 0.193 372 E C 1.961 178.552 176.600 -0.016 0.000 0.988 372 E CA 0.788 57.087 56.400 -0.167 0.000 0.804 372 E CB -0.145 29.304 29.700 -0.419 0.000 0.745 372 E HN 0.134 nan 8.360 nan 0.000 0.458 373 M N 0.781 120.403 119.600 0.037 0.000 2.086 373 M HA -0.144 4.350 4.480 0.023 0.000 0.261 373 M C 1.387 177.711 176.300 0.040 0.000 1.067 373 M CA 1.422 56.759 55.300 0.062 0.000 1.116 373 M CB -0.960 31.675 32.600 0.057 0.000 1.348 373 M HN 0.041 nan 8.290 nan 0.000 0.407 374 D N 0.160 120.572 120.400 0.022 0.000 2.104 374 D HA -0.196 4.458 4.640 0.023 0.000 0.194 374 D C 1.998 178.311 176.300 0.022 0.000 0.994 374 D CA 1.477 55.490 54.000 0.021 0.000 0.830 374 D CB -0.242 40.563 40.800 0.009 0.000 0.959 374 D HN 0.392 nan 8.370 nan 0.000 0.452 375 E N 0.535 120.737 120.200 0.004 0.000 2.072 375 E HA -0.085 4.279 4.350 0.023 0.000 0.191 375 E C 2.154 178.771 176.600 0.028 0.000 0.985 375 E CA 0.638 57.040 56.400 0.004 0.000 0.801 375 E CB -0.363 29.318 29.700 -0.031 0.000 0.750 375 E HN 0.285 nan 8.360 nan 0.000 0.452 376 I N 0.565 121.161 120.570 0.044 0.000 2.163 376 I HA -0.317 3.867 4.170 0.023 0.000 0.243 376 I C 2.414 178.562 176.117 0.051 0.000 1.085 376 I CA 1.241 62.580 61.300 0.065 0.000 1.347 376 I CB -0.495 37.565 38.000 0.099 0.000 1.044 376 I HN 0.226 nan 8.210 nan 0.000 0.408 377 A N 0.694 123.546 122.820 0.052 0.000 1.908 377 A HA -0.210 4.124 4.320 0.023 0.000 0.218 377 A C 2.537 180.185 177.584 0.107 0.000 1.181 377 A CA 2.034 54.113 52.037 0.070 0.000 0.627 377 A CB -0.900 18.146 19.000 0.077 0.000 0.818 377 A HN 0.460 nan 8.150 nan 0.000 0.445 378 A N -0.196 122.672 122.820 0.079 0.000 1.902 378 A HA -0.073 4.261 4.320 0.023 0.000 0.217 378 A C 2.115 179.747 177.584 0.078 0.000 1.181 378 A CA 1.542 53.625 52.037 0.076 0.000 0.623 378 A CB -0.595 18.432 19.000 0.045 0.000 0.818 378 A HN 0.511 nan 8.150 nan 0.000 0.443 379 I N -0.400 120.208 120.570 0.064 0.000 2.252 379 I HA -0.240 3.944 4.170 0.023 0.000 0.245 379 I C 2.270 178.431 176.117 0.073 0.000 1.102 379 I CA 1.209 62.544 61.300 0.058 0.000 1.385 379 I CB -0.324 37.704 38.000 0.046 0.000 1.064 379 I HN 0.289 nan 8.210 nan 0.000 0.414 380 I N 0.766 121.379 120.570 0.071 0.000 2.208 380 I HA -0.243 3.941 4.170 0.023 0.000 0.245 380 I C 2.694 178.936 176.117 0.208 0.000 1.097 380 I CA 1.699 63.035 61.300 0.060 0.000 1.363 380 I CB -0.957 37.002 38.000 -0.068 0.000 1.051 380 I HN 0.286 nan 8.210 nan 0.000 0.413 381 G N 1.143 110.136 108.800 0.321 0.000 2.459 381 G HA2 -0.296 3.677 3.960 0.023 0.000 0.217 381 G HA3 -0.296 3.677 3.960 0.023 0.000 0.217 381 G C 1.647 176.649 174.900 0.169 0.000 1.183 381 G CA 0.916 46.224 45.100 0.348 0.000 0.776 381 G HN 0.286 nan 8.290 nan 0.000 0.552 382 L N 0.728 122.018 121.223 0.111 0.000 2.013 382 L HA -0.106 4.248 4.340 0.023 0.000 0.212 382 L C 2.906 179.819 176.870 0.072 0.000 1.073 382 L CA 1.773 56.655 54.840 0.070 0.000 0.753 382 L CB -0.605 41.486 42.059 0.053 0.000 0.890 382 L HN 0.104 nan 8.230 nan 0.000 0.432 383 V N -0.459 119.506 119.914 0.085 0.000 2.270 383 V HA -0.268 3.866 4.120 0.023 0.000 0.245 383 V C 2.475 178.622 176.094 0.089 0.000 1.043 383 V CA 2.006 64.349 62.300 0.072 0.000 1.014 383 V CB -0.519 31.339 31.823 0.058 0.000 0.645 383 V HN 0.446 nan 8.190 nan 0.000 0.447 384 L N -0.582 120.728 121.223 0.144 0.000 2.291 384 L HA -0.083 4.270 4.340 0.023 0.000 0.214 384 L C 2.229 179.178 176.870 0.132 0.000 1.120 384 L CA 1.234 56.176 54.840 0.170 0.000 0.799 384 L CB -0.478 41.761 42.059 0.300 0.000 0.925 384 L HN 0.310 nan 8.230 nan 0.000 0.446 385 K N 0.183 120.642 120.400 0.098 0.000 2.426 385 K HA 0.047 4.381 4.320 0.023 0.000 0.193 385 K C -0.010 176.607 176.600 0.028 0.000 1.028 385 K CA 0.329 56.636 56.287 0.033 0.000 1.047 385 K CB 0.184 32.680 32.500 -0.007 0.000 0.821 385 K HN 0.296 nan 8.250 nan 0.000 0.513 386 N N -0.328 118.395 118.700 0.040 0.000 2.628 386 N HA 0.037 4.791 4.740 0.023 0.000 0.299 386 N C 0.197 175.726 175.510 0.032 0.000 1.834 386 N CA -0.074 52.994 53.050 0.029 0.000 0.871 386 N CB 1.362 39.864 38.487 0.026 0.000 1.377 386 N HN -0.202 nan 8.380 nan 0.000 0.493 387 V N -0.521 119.414 119.914 0.035 0.000 2.720 387 V HA -0.095 4.039 4.120 0.023 0.000 0.256 387 V C 2.042 178.151 176.094 0.025 0.000 1.082 387 V CA 2.126 64.447 62.300 0.033 0.000 1.101 387 V CB -0.424 31.421 31.823 0.037 0.000 0.693 387 V HN 0.588 nan 8.190 nan 0.000 0.479 388 G N -1.116 107.697 108.800 0.022 0.000 3.088 388 G HA2 0.056 4.030 3.960 0.023 0.000 0.217 388 G HA3 0.056 4.030 3.960 0.023 0.000 0.217 388 G C 0.614 175.524 174.900 0.016 0.000 1.159 388 G CA 0.597 45.708 45.100 0.017 0.000 0.760 388 G HN 0.434 nan 8.290 nan 0.000 0.550 389 S N 0.429 116.139 115.700 0.017 0.000 2.461 389 S HA 0.317 4.801 4.470 0.023 0.000 0.322 389 S C 1.075 175.685 174.600 0.016 0.000 1.063 389 S CA -0.568 57.642 58.200 0.015 0.000 1.120 389 S CB 0.853 64.062 63.200 0.015 0.000 0.968 389 S HN 0.156 nan 8.310 nan 0.000 0.467 390 E N 3.497 123.706 120.200 0.014 0.000 2.153 390 E HA -0.202 4.162 4.350 0.023 0.000 0.194 390 E C 2.106 178.714 176.600 0.014 0.000 0.988 390 E CA 1.278 57.686 56.400 0.014 0.000 0.811 390 E CB -0.072 29.635 29.700 0.012 0.000 0.746 390 E HN 0.972 nan 8.360 nan 0.000 0.466 391 Q N 0.227 120.035 119.800 0.013 0.000 2.079 391 Q HA -0.020 4.334 4.340 0.023 0.000 0.200 391 Q C 2.151 178.160 176.000 0.014 0.000 0.974 391 Q CA 1.504 57.314 55.803 0.012 0.000 0.840 391 Q CB -0.371 28.374 28.738 0.010 0.000 0.898 391 Q HN 0.130 nan 8.270 nan 0.000 0.430 392 A N 1.991 124.820 122.820 0.016 0.000 1.902 392 A HA -0.100 4.234 4.320 0.023 0.000 0.217 392 A C 2.266 179.864 177.584 0.022 0.000 1.181 392 A CA 1.319 53.367 52.037 0.019 0.000 0.623 392 A CB -0.730 18.284 19.000 0.022 0.000 0.818 392 A HN 0.376 nan 8.150 nan 0.000 0.443 393 L N -0.943 120.293 121.223 0.022 0.000 2.083 393 L HA -0.182 4.172 4.340 0.023 0.000 0.209 393 L C 2.648 179.531 176.870 0.020 0.000 1.083 393 L CA 1.720 56.573 54.840 0.023 0.000 0.752 393 L CB -0.530 41.541 42.059 0.021 0.000 0.899 393 L HN 0.469 nan 8.230 nan 0.000 0.433 394 E N 0.773 120.983 120.200 0.018 0.000 2.106 394 E HA -0.262 4.102 4.350 0.023 0.000 0.192 394 E C 2.008 178.618 176.600 0.016 0.000 0.984 394 E CA 1.423 57.832 56.400 0.016 0.000 0.806 394 E CB -0.019 29.689 29.700 0.014 0.000 0.750 394 E HN 0.416 nan 8.360 nan 0.000 0.458 395 E N -0.351 119.859 120.200 0.016 0.000 2.051 395 E HA -0.231 4.133 4.350 0.023 0.000 0.192 395 E C 1.946 178.558 176.600 0.019 0.000 0.991 395 E CA 1.183 57.592 56.400 0.016 0.000 0.799 395 E CB -0.276 29.434 29.700 0.016 0.000 0.748 395 E HN 0.327 nan 8.360 nan 0.000 0.449 396 A N 1.420 124.254 122.820 0.023 0.000 1.883 396 A HA -0.231 4.103 4.320 0.023 0.000 0.217 396 A C 2.223 179.822 177.584 0.025 0.000 1.186 396 A CA 1.732 53.785 52.037 0.027 0.000 0.624 396 A CB -0.649 18.370 19.000 0.031 0.000 0.822 396 A HN 0.240 nan 8.150 nan 0.000 0.444 397 R N -0.603 119.911 120.500 0.023 0.000 2.096 397 R HA -0.209 4.145 4.340 0.023 0.000 0.240 397 R C 2.468 178.780 176.300 0.020 0.000 1.139 397 R CA 2.084 58.197 56.100 0.022 0.000 0.952 397 R CB -0.288 30.024 30.300 0.019 0.000 0.854 397 R HN 0.729 nan 8.270 nan 0.000 0.436 398 Q N -0.698 119.112 119.800 0.018 0.000 2.119 398 Q HA -0.138 4.216 4.340 0.023 0.000 0.201 398 Q C 2.151 178.159 176.000 0.014 0.000 0.972 398 Q CA 1.362 57.175 55.803 0.015 0.000 0.847 398 Q CB 0.043 28.789 28.738 0.013 0.000 0.903 398 Q HN 0.317 nan 8.270 nan 0.000 0.433 399 R N -0.235 120.275 120.500 0.015 0.000 2.115 399 R HA -0.056 4.298 4.340 0.023 0.000 0.226 399 R C 2.282 178.593 176.300 0.018 0.000 1.100 399 R CA 0.824 56.931 56.100 0.013 0.000 0.980 399 R CB -0.142 30.166 30.300 0.014 0.000 0.875 399 R HN 0.059 nan 8.270 nan 0.000 0.445 400 V N 1.084 121.015 119.914 0.028 0.000 2.295 400 V HA -0.251 3.882 4.120 0.023 0.000 0.246 400 V C 2.440 178.556 176.094 0.036 0.000 1.049 400 V CA 2.043 64.368 62.300 0.042 0.000 1.024 400 V CB -0.723 31.125 31.823 0.041 0.000 0.648 400 V HN 0.405 nan 8.190 nan 0.000 0.447 401 A N 0.042 122.877 122.820 0.024 0.000 1.908 401 A HA -0.197 4.137 4.320 0.023 0.000 0.218 401 A C 2.417 180.011 177.584 0.017 0.000 1.181 401 A CA 2.311 54.360 52.037 0.020 0.000 0.627 401 A CB -0.846 18.166 19.000 0.021 0.000 0.818 401 A HN 0.607 nan 8.150 nan 0.000 0.445 402 A N -0.580 122.247 122.820 0.011 0.000 1.933 402 A HA -0.032 4.302 4.320 0.023 0.000 0.218 402 A C 2.169 179.743 177.584 -0.017 0.000 1.175 402 A CA 1.501 53.537 52.037 -0.001 0.000 0.628 402 A CB -0.516 18.479 19.000 -0.009 0.000 0.814 402 A HN 0.486 nan 8.150 nan 0.000 0.444 403 L N -0.380 120.835 121.223 -0.014 0.000 2.109 403 L HA -0.111 4.243 4.340 0.023 0.000 0.207 403 L C 2.724 179.629 176.870 0.058 0.000 1.086 403 L CA 1.727 56.537 54.840 -0.050 0.000 0.760 403 L CB -0.413 41.639 42.059 -0.011 0.000 0.910 403 L HN 0.635 nan 8.230 nan 0.000 0.437 404 T N -4.200 110.401 114.554 0.078 0.000 3.107 404 T HA 0.049 4.413 4.350 0.023 0.000 0.249 404 T C 0.471 175.141 174.700 -0.049 0.000 1.096 404 T CA 0.067 62.170 62.100 0.005 0.000 1.012 404 T CB 0.011 68.800 68.868 -0.131 0.000 0.977 404 T HN 0.499 nan 8.240 nan 0.000 0.527 405 D N 0.000 120.417 120.400 0.028 0.000 6.856 405 D HA 0.000 4.654 4.640 0.023 0.000 0.175 405 D CA 0.000 54.043 54.000 0.071 0.000 0.868 405 D CB 0.000 40.872 40.800 0.120 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683