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 2vmq_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 0.000 176.227 176.300 -0.122 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.631 32.600 0.052 0.000 1.302 2 K N 0.235 120.547 120.400 -0.147 0.000 2.403 2 K HA 0.251 4.583 4.320 0.021 0.000 0.199 2 K C 0.576 176.887 176.600 -0.482 0.000 1.199 2 K CA 0.683 56.752 56.287 -0.363 0.000 0.924 2 K CB 0.557 32.754 32.500 -0.505 0.000 1.137 2 K HN 0.651 nan 8.250 nan 0.000 0.510 3 Y N -0.020 120.203 120.300 -0.128 0.000 2.500 3 Y HA 0.076 4.628 4.550 0.004 0.000 0.284 3 Y C 1.756 177.575 175.900 -0.135 0.000 1.118 3 Y CA -0.033 57.999 58.100 -0.113 0.000 1.241 3 Y CB 0.054 38.469 38.460 -0.075 0.000 1.171 3 Y HN -0.011 nan 8.280 nan 0.000 0.540 4 L N 1.577 122.799 121.223 -0.001 0.000 2.012 4 L HA -0.076 4.276 4.340 0.021 0.000 0.210 4 L C -0.924 175.827 176.870 -0.199 0.000 1.073 4 L CA 2.022 56.834 54.840 -0.048 0.000 0.748 4 L CB -1.563 40.517 42.059 0.034 0.000 0.891 4 L HN -0.012 nan 8.230 nan 0.000 0.431 5 P HA -0.208 nan 4.420 nan 0.000 0.216 5 P C 1.442 178.585 177.300 -0.261 0.000 1.150 5 P CA 1.364 64.032 63.100 -0.720 0.000 0.843 5 P CB 0.071 31.160 31.700 -1.018 0.000 0.787 6 Q N -0.662 119.020 119.800 -0.196 0.000 2.123 6 Q HA -0.149 4.203 4.340 0.021 0.000 0.196 6 Q C 2.296 178.270 176.000 -0.043 0.000 0.958 6 Q CA 1.436 57.179 55.803 -0.100 0.000 0.841 6 Q CB -0.834 27.847 28.738 -0.094 0.000 0.915 6 Q HN 0.014 nan 8.270 nan 0.000 0.455 7 Q N 0.292 120.077 119.800 -0.026 0.000 2.079 7 Q HA -0.056 4.296 4.340 0.021 0.000 0.200 7 Q C -0.345 175.661 176.000 0.010 0.000 0.974 7 Q CA 1.575 57.380 55.803 0.003 0.000 0.840 7 Q CB 0.272 29.022 28.738 0.020 0.000 0.898 7 Q HN 0.193 nan 8.270 nan 0.000 0.430 8 D N -1.380 119.032 120.400 0.019 0.000 2.517 8 D HA 0.205 4.858 4.640 0.021 0.000 0.263 8 D C -2.237 174.117 176.300 0.089 0.000 1.233 8 D CA -1.715 52.313 54.000 0.047 0.000 0.849 8 D CB 1.253 42.085 40.800 0.053 0.000 1.261 8 D HN -0.037 nan 8.370 nan 0.000 0.516 9 P HA -0.175 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 1.328 64.501 63.100 0.122 0.000 0.858 9 P CB 0.530 32.274 31.700 0.072 0.000 0.789 10 Q N -0.873 118.976 119.800 0.082 0.000 2.020 10 Q HA -0.112 4.241 4.340 0.021 0.000 0.202 10 Q C 2.145 178.182 176.000 0.062 0.000 0.982 10 Q CA 1.405 57.243 55.803 0.058 0.000 0.838 10 Q CB -0.816 27.944 28.738 0.037 0.000 0.899 10 Q HN 0.099 nan 8.270 nan 0.000 0.423 11 V N 0.521 120.482 119.914 0.078 0.000 2.343 11 V HA -0.239 3.893 4.120 0.021 0.000 0.247 11 V C 1.933 178.091 176.094 0.107 0.000 1.051 11 V CA 1.690 64.036 62.300 0.075 0.000 1.036 11 V CB -0.593 31.273 31.823 0.072 0.000 0.654 11 V HN 0.314 nan 8.190 nan 0.000 0.451 12 F N 1.609 121.561 119.950 0.003 0.000 2.102 12 F HA -0.168 4.362 4.527 0.004 0.000 0.298 12 F C 2.298 178.098 175.800 0.001 0.000 1.105 12 F CA 1.372 59.373 58.000 0.003 0.000 1.239 12 F CB -0.692 38.309 39.000 0.001 0.000 0.991 12 F HN 0.079 nan 8.300 nan 0.000 0.474 13 A N 0.349 123.129 122.820 -0.067 0.000 1.908 13 A HA -0.115 4.218 4.320 0.021 0.000 0.218 13 A C 2.431 179.915 177.584 -0.168 0.000 1.181 13 A CA 2.093 54.037 52.037 -0.155 0.000 0.627 13 A CB -1.595 17.389 19.000 -0.026 0.000 0.818 13 A HN 0.515 nan 8.150 nan 0.000 0.445 14 A N -0.270 122.494 122.820 -0.094 0.000 1.898 14 A HA -0.025 4.308 4.320 0.021 0.000 0.216 14 A C 2.125 179.651 177.584 -0.097 0.000 1.181 14 A CA 1.393 53.388 52.037 -0.071 0.000 0.620 14 A CB -0.562 18.421 19.000 -0.029 0.000 0.819 14 A HN 0.492 nan 8.150 nan 0.000 0.442 15 I N -0.316 120.182 120.570 -0.120 0.000 2.226 15 I HA -0.229 3.954 4.170 0.021 0.000 0.245 15 I C 2.473 178.478 176.117 -0.187 0.000 1.100 15 I CA 1.290 62.519 61.300 -0.118 0.000 1.374 15 I CB -0.327 37.633 38.000 -0.067 0.000 1.057 15 I HN 0.315 nan 8.210 nan 0.000 0.413 16 E N 0.588 120.573 120.200 -0.358 0.000 2.077 16 E HA -0.245 4.118 4.350 0.021 0.000 0.193 16 E C 2.153 178.643 176.600 -0.183 0.000 0.989 16 E CA 1.200 57.391 56.400 -0.347 0.000 0.800 16 E CB -0.275 29.085 29.700 -0.566 0.000 0.746 16 E HN 0.590 nan 8.360 nan 0.000 0.452 17 Q N 0.325 120.035 119.800 -0.149 0.000 2.061 17 Q HA -0.223 4.130 4.340 0.021 0.000 0.204 17 Q C 2.152 178.122 176.000 -0.050 0.000 0.984 17 Q CA 1.753 57.508 55.803 -0.081 0.000 0.846 17 Q CB -0.116 28.584 28.738 -0.062 0.000 0.902 17 Q HN 0.101 nan 8.270 nan 0.000 0.421 18 E N 0.963 121.133 120.200 -0.050 0.000 2.072 18 E HA -0.187 4.176 4.350 0.021 0.000 0.191 18 E C 1.810 178.409 176.600 -0.003 0.000 0.985 18 E CA 1.269 57.659 56.400 -0.016 0.000 0.801 18 E CB -0.067 29.626 29.700 -0.012 0.000 0.750 18 E HN 0.174 nan 8.360 nan 0.000 0.452 19 R N 0.226 120.709 120.500 -0.029 0.000 2.081 19 R HA -0.124 4.229 4.340 0.021 0.000 0.235 19 R C 2.108 178.401 176.300 -0.011 0.000 1.131 19 R CA 1.872 57.958 56.100 -0.023 0.000 0.960 19 R CB -0.051 30.217 30.300 -0.052 0.000 0.856 19 R HN 0.081 nan 8.270 nan 0.000 0.436 20 K N -0.270 120.117 120.400 -0.021 0.000 2.097 20 K HA -0.124 4.209 4.320 0.021 0.000 0.205 20 K C 2.262 178.892 176.600 0.050 0.000 1.050 20 K CA 1.075 57.367 56.287 0.009 0.000 0.938 20 K CB -0.180 32.310 32.500 -0.016 0.000 0.718 20 K HN 0.124 nan 8.250 nan 0.000 0.442 21 R N 1.585 122.103 120.500 0.029 0.000 2.083 21 R HA -0.191 4.162 4.340 0.021 0.000 0.237 21 R C 2.111 178.443 176.300 0.055 0.000 1.137 21 R CA 1.734 57.857 56.100 0.038 0.000 0.951 21 R CB -0.057 30.260 30.300 0.029 0.000 0.851 21 R HN 0.299 nan 8.270 nan 0.000 0.434 22 Q N -1.361 118.478 119.800 0.065 0.000 2.170 22 Q HA -0.232 4.120 4.340 0.021 0.000 0.203 22 Q C 1.885 177.871 176.000 -0.024 0.000 0.976 22 Q CA 1.851 57.707 55.803 0.088 0.000 0.858 22 Q CB -0.151 28.659 28.738 0.121 0.000 0.907 22 Q HN 0.549 nan 8.270 nan 0.000 0.433 23 H N -0.287 118.721 119.070 -0.103 0.000 2.403 23 H HA 0.088 4.657 4.556 0.020 0.000 0.298 23 H C 1.778 177.078 175.328 -0.047 0.000 1.059 23 H CA 1.379 57.355 56.048 -0.120 0.000 1.363 23 H CB 0.110 29.814 29.762 -0.097 0.000 1.410 23 H HN 0.204 nan 8.280 nan 0.000 0.528 24 A N 0.960 123.755 122.820 -0.041 0.000 1.930 24 A HA 0.058 4.391 4.320 0.021 0.000 0.215 24 A C 0.966 178.519 177.584 -0.052 0.000 1.176 24 A CA 0.458 52.466 52.037 -0.049 0.000 0.632 24 A CB 0.029 19.055 19.000 0.043 0.000 0.819 24 A HN 0.164 nan 8.150 nan 0.000 0.445 25 K N -0.123 120.265 120.400 -0.019 0.000 2.098 25 K HA 0.485 4.818 4.320 0.021 0.000 0.257 25 K C -0.736 175.870 176.600 0.009 0.000 0.999 25 K CA -0.345 55.948 56.287 0.011 0.000 0.924 25 K CB 1.043 33.563 32.500 0.033 0.000 1.028 25 K HN 0.243 nan 8.250 nan 0.000 0.466 26 I N 2.159 122.748 120.570 0.031 0.000 2.291 26 I HA 0.013 4.196 4.170 0.021 0.000 0.292 26 I C 0.404 176.535 176.117 0.023 0.000 1.064 26 I CA -0.534 60.784 61.300 0.030 0.000 1.269 26 I CB 0.573 38.628 38.000 0.092 0.000 1.418 26 I HN 0.422 nan 8.210 nan 0.000 0.485 27 E N 7.334 127.547 120.200 0.022 0.000 2.070 27 E HA 0.198 4.560 4.350 0.021 0.000 0.282 27 E C -0.065 176.526 176.600 -0.015 0.000 1.104 27 E CA 0.178 56.591 56.400 0.022 0.000 0.876 27 E CB 0.504 30.243 29.700 0.065 0.000 1.055 27 E HN 0.576 nan 8.360 nan 0.000 0.401 28 L N 5.000 126.218 121.223 -0.008 0.000 2.808 28 L HA 0.343 4.696 4.340 0.021 0.000 0.246 28 L C 0.295 177.160 176.870 -0.008 0.000 1.153 28 L CA -0.411 54.423 54.840 -0.010 0.000 0.956 28 L CB 0.091 42.145 42.059 -0.007 0.000 1.270 28 L HN 0.540 nan 8.230 nan 0.000 0.528 29 I N 1.212 121.777 120.570 -0.009 0.000 2.664 29 I HA -0.104 4.079 4.170 0.021 0.000 0.284 29 I C 1.659 177.794 176.117 0.030 0.000 1.154 29 I CA 0.041 61.345 61.300 0.007 0.000 1.402 29 I CB 1.259 39.260 38.000 0.002 0.000 1.395 29 I HN 0.181 nan 8.210 nan 0.000 0.545 30 A N 4.672 127.538 122.820 0.077 0.000 2.070 30 A HA -0.150 4.183 4.320 0.021 0.000 0.220 30 A C 2.162 179.883 177.584 0.229 0.000 1.159 30 A CA 1.807 53.940 52.037 0.159 0.000 0.656 30 A CB -0.407 18.673 19.000 0.133 0.000 0.800 30 A HN 0.806 nan 8.150 nan 0.000 0.453 31 S N -0.840 114.942 115.700 0.137 0.000 2.575 31 S HA 0.157 4.640 4.470 0.021 0.000 0.215 31 S C 0.428 174.993 174.600 -0.059 0.000 0.966 31 S CA -0.271 57.892 58.200 -0.062 0.000 0.911 31 S CB 0.037 63.211 63.200 -0.043 0.000 0.780 31 S HN 0.616 nan 8.310 nan 0.000 0.514 32 E N 1.209 121.379 120.200 -0.050 0.000 2.250 32 E HA 0.525 4.888 4.350 0.021 0.000 0.265 32 E C -0.572 175.901 176.600 -0.212 0.000 1.033 32 E CA -0.701 55.622 56.400 -0.128 0.000 0.888 32 E CB 0.740 30.340 29.700 -0.167 0.000 1.151 32 E HN 0.167 nan 8.360 nan 0.000 0.412 33 N N 0.093 118.590 118.700 -0.339 0.000 3.308 33 N HA 0.342 5.095 4.740 0.021 0.000 0.276 33 N C -1.947 173.189 175.510 -0.624 0.000 1.533 33 N CA -0.546 52.262 53.050 -0.403 0.000 0.878 33 N CB 0.963 39.395 38.487 -0.092 0.000 1.566 33 N HN 0.206 nan 8.380 nan 0.000 0.546 34 F N 1.081 121.040 119.950 0.015 0.000 2.460 34 F HA 0.369 4.905 4.527 0.014 0.000 0.341 34 F C 0.663 176.457 175.800 -0.010 0.000 1.130 34 F CA -0.888 57.110 58.000 -0.002 0.000 0.962 34 F CB 1.198 40.190 39.000 -0.015 0.000 1.171 34 F HN 0.145 nan 8.300 nan 0.000 0.436 35 V N 0.468 120.474 119.914 0.152 0.000 3.003 35 V HA 0.620 4.753 4.120 0.021 0.000 0.305 35 V C 0.429 176.565 176.094 0.070 0.000 1.078 35 V CA -0.824 61.524 62.300 0.081 0.000 1.083 35 V CB 1.065 32.916 31.823 0.048 0.000 1.039 35 V HN 0.838 nan 8.190 nan 0.000 0.481 36 S N 3.158 118.879 115.700 0.035 0.000 2.600 36 S HA 0.314 4.797 4.470 0.021 0.000 0.265 36 S C 0.929 175.539 174.600 0.017 0.000 1.325 36 S CA -0.130 58.083 58.200 0.021 0.000 1.002 36 S CB 0.647 63.851 63.200 0.008 0.000 0.921 36 S HN 0.773 nan 8.310 nan 0.000 0.554 37 R N 0.899 121.407 120.500 0.012 0.000 2.096 37 R HA -0.082 4.271 4.340 0.021 0.000 0.235 37 R C 2.586 178.889 176.300 0.005 0.000 1.127 37 R CA 1.333 57.439 56.100 0.010 0.000 0.968 37 R CB -0.993 29.312 30.300 0.008 0.000 0.861 37 R HN 0.833 nan 8.270 nan 0.000 0.440 38 A N 0.669 123.489 122.820 -0.000 0.000 1.908 38 A HA -0.134 4.199 4.320 0.021 0.000 0.218 38 A C 2.340 179.915 177.584 -0.015 0.000 1.181 38 A CA 1.453 53.485 52.037 -0.008 0.000 0.627 38 A CB -0.571 18.422 19.000 -0.011 0.000 0.818 38 A HN 0.120 nan 8.150 nan 0.000 0.445 39 V N -0.078 119.825 119.914 -0.018 0.000 2.295 39 V HA -0.340 3.792 4.120 0.021 0.000 0.246 39 V C 2.670 178.753 176.094 -0.018 0.000 1.049 39 V CA 2.355 64.637 62.300 -0.030 0.000 1.024 39 V CB -0.681 31.125 31.823 -0.029 0.000 0.648 39 V HN 0.586 nan 8.190 nan 0.000 0.447 40 M N -0.791 118.809 119.600 -0.001 0.000 2.117 40 M HA -0.220 4.272 4.480 0.021 0.000 0.262 40 M C 2.226 178.532 176.300 0.010 0.000 1.065 40 M CA 1.902 57.208 55.300 0.009 0.000 1.114 40 M CB -0.569 32.043 32.600 0.020 0.000 1.361 40 M HN 0.379 nan 8.290 nan 0.000 0.408 41 E N 0.379 120.583 120.200 0.006 0.000 2.085 41 E HA -0.201 4.161 4.350 0.021 0.000 0.194 41 E C 2.083 178.684 176.600 0.002 0.000 0.994 41 E CA 1.346 57.749 56.400 0.005 0.000 0.801 41 E CB -0.186 29.515 29.700 0.001 0.000 0.743 41 E HN 0.524 nan 8.360 nan 0.000 0.453 42 A N 1.402 124.219 122.820 -0.005 0.000 1.883 42 A HA -0.259 4.073 4.320 0.021 0.000 0.217 42 A C 2.065 179.663 177.584 0.022 0.000 1.186 42 A CA 1.438 53.471 52.037 -0.006 0.000 0.624 42 A CB -0.470 18.511 19.000 -0.032 0.000 0.822 42 A HN 0.203 nan 8.150 nan 0.000 0.444 43 Q N -0.999 118.816 119.800 0.024 0.000 2.170 43 Q HA -0.103 4.250 4.340 0.021 0.000 0.203 43 Q C 1.718 177.784 176.000 0.110 0.000 0.976 43 Q CA 1.123 56.973 55.803 0.079 0.000 0.858 43 Q CB -0.328 28.433 28.738 0.039 0.000 0.907 43 Q HN 0.657 nan 8.270 nan 0.000 0.433 44 G N 1.199 110.024 108.800 0.042 0.000 3.314 44 G HA2 0.055 4.027 3.960 0.021 0.000 0.238 44 G HA3 0.055 4.027 3.960 0.021 0.000 0.238 44 G C 0.329 175.214 174.900 -0.023 0.000 1.184 44 G CA 0.030 45.135 45.100 0.008 0.000 0.806 44 G HN 0.264 nan 8.290 nan 0.000 0.536 45 S N -0.814 114.877 115.700 -0.016 0.000 2.681 45 S HA 0.286 4.769 4.470 0.021 0.000 0.270 45 S C 1.563 176.112 174.600 -0.085 0.000 1.209 45 S CA 0.053 58.231 58.200 -0.037 0.000 0.988 45 S CB 1.476 64.670 63.200 -0.011 0.000 1.006 45 S HN 0.538 nan 8.310 nan 0.000 0.558 46 V N -0.873 118.993 119.914 -0.079 0.000 3.444 46 V HA 0.055 4.188 4.120 0.021 0.000 0.271 46 V C 1.650 177.684 176.094 -0.100 0.000 1.188 46 V CA 0.822 63.063 62.300 -0.099 0.000 1.168 46 V CB -1.399 30.378 31.823 -0.076 0.000 0.810 46 V HN 0.678 nan 8.190 nan 0.000 0.500 47 L N 0.962 122.145 121.223 -0.067 0.000 2.353 47 L HA -0.076 4.277 4.340 0.021 0.000 0.220 47 L C 2.745 179.569 176.870 -0.077 0.000 1.133 47 L CA 2.257 57.080 54.840 -0.030 0.000 0.798 47 L CB -1.288 40.796 42.059 0.042 0.000 0.922 47 L HN 0.524 nan 8.230 nan 0.000 0.445 48 T N -0.983 113.386 114.554 -0.308 0.000 2.897 48 T HA -0.191 4.172 4.350 0.021 0.000 0.271 48 T C 1.581 176.117 174.700 -0.273 0.000 1.084 48 T CA 1.806 63.580 62.100 -0.544 0.000 1.123 48 T CB -0.384 67.943 68.868 -0.902 0.000 0.865 48 T HN 0.531 nan 8.240 nan 0.000 0.496 49 N N -0.082 118.503 118.700 -0.193 0.000 2.494 49 N HA 0.024 4.777 4.740 0.021 0.000 0.182 49 N C 0.350 175.784 175.510 -0.126 0.000 1.076 49 N CA 0.218 53.184 53.050 -0.141 0.000 0.908 49 N CB 0.142 38.568 38.487 -0.101 0.000 0.967 49 N HN 0.121 nan 8.380 nan 0.000 0.449 50 K N 0.825 121.143 120.400 -0.136 0.000 2.263 50 K HA 0.153 4.486 4.320 0.021 0.000 0.272 50 K C -1.462 175.001 176.600 -0.229 0.000 1.033 50 K CA -0.501 55.709 56.287 -0.128 0.000 0.884 50 K CB 0.133 32.589 32.500 -0.073 0.000 1.107 50 K HN -0.063 nan 8.250 nan 0.000 0.460 51 Y N 2.408 122.509 120.300 -0.331 0.000 2.402 51 Y HA 0.311 4.878 4.550 0.028 0.000 0.333 51 Y C 0.564 176.127 175.900 -0.563 0.000 1.076 51 Y CA 0.458 58.210 58.100 -0.581 0.000 1.299 51 Y CB 1.279 39.090 38.460 -1.082 0.000 1.197 51 Y HN 0.716 nan 8.280 nan 0.000 0.517 52 A N 4.181 126.906 122.820 -0.159 0.000 2.843 52 A HA 0.250 4.583 4.320 0.021 0.000 0.248 52 A C -0.173 177.381 177.584 -0.051 0.000 0.904 52 A CA -0.591 51.419 52.037 -0.045 0.000 1.091 52 A CB -0.319 18.630 19.000 -0.084 0.000 1.208 52 A HN 0.771 nan 8.150 nan 0.000 0.476 53 E N 0.308 120.560 120.200 0.086 0.000 2.481 53 E HA 0.361 4.724 4.350 0.021 0.000 0.263 53 E C 1.001 177.439 176.600 -0.271 0.000 0.992 53 E CA 1.389 57.591 56.400 -0.330 0.000 0.938 53 E CB 0.532 30.081 29.700 -0.252 0.000 0.933 53 E HN 1.077 nan 8.360 nan 0.000 0.453 54 G N 1.561 110.006 108.800 -0.591 0.000 2.472 54 G HA2 -0.211 3.762 3.960 0.021 0.000 0.205 54 G HA3 -0.211 3.762 3.960 0.021 0.000 0.205 54 G C -1.468 173.076 174.900 -0.595 0.000 1.270 54 G CA -0.708 44.257 45.100 -0.227 0.000 0.974 54 G HN 0.440 nan 8.290 nan 0.000 0.542 55 Y N -0.168 120.125 120.300 -0.012 0.000 2.605 55 Y HA 0.608 5.171 4.550 0.022 0.000 0.343 55 Y C -2.050 173.838 175.900 -0.020 0.000 1.036 55 Y CA -1.867 56.241 58.100 0.012 0.000 1.065 55 Y CB 1.951 40.452 38.460 0.069 0.000 1.288 55 Y HN 0.427 nan 8.280 nan 0.000 0.481 56 P HA 0.038 nan 4.420 nan 0.000 0.260 56 P C 0.606 177.936 177.300 0.050 0.000 1.172 56 P CA 2.178 65.321 63.100 0.071 0.000 0.760 56 P CB 0.191 31.939 31.700 0.081 0.000 0.773 57 G N 3.183 111.984 108.800 0.002 0.000 2.184 57 G HA2 -0.270 3.703 3.960 0.021 0.000 0.264 57 G HA3 -0.270 3.703 3.960 0.021 0.000 0.264 57 G C 0.482 175.363 174.900 -0.031 0.000 0.975 57 G CA -0.232 44.860 45.100 -0.013 0.000 0.642 57 G HN 0.562 nan 8.290 nan 0.000 0.536 58 R N 0.051 120.526 120.500 -0.041 0.000 2.647 58 R HA 0.249 4.602 4.340 0.021 0.000 0.295 58 R C 0.330 176.467 176.300 -0.272 0.000 1.267 58 R CA -0.462 55.572 56.100 -0.109 0.000 1.386 58 R CB 0.403 30.698 30.300 -0.008 0.000 1.309 58 R HN 0.269 nan 8.270 nan 0.000 0.692 59 R N 0.007 120.345 120.500 -0.271 0.000 2.549 59 R HA 0.303 4.656 4.340 0.021 0.000 0.267 59 R C 0.337 176.350 176.300 -0.479 0.000 1.045 59 R CA -0.425 55.490 56.100 -0.309 0.000 1.115 59 R CB 0.561 30.811 30.300 -0.083 0.000 1.121 59 R HN 0.146 nan 8.270 nan 0.000 0.543 60 Y N -0.492 119.800 120.300 -0.012 0.000 2.555 60 Y HA 0.275 4.837 4.550 0.020 0.000 0.259 60 Y C -0.447 175.191 175.900 -0.437 0.000 1.179 60 Y CA -0.179 57.812 58.100 -0.182 0.000 1.230 60 Y CB 0.215 38.555 38.460 -0.200 0.000 1.146 60 Y HN 0.384 nan 8.280 nan 0.000 0.526 61 Y N -0.950 119.374 120.300 0.040 0.000 2.492 61 Y HA 0.610 5.176 4.550 0.026 0.000 0.346 61 Y C 0.778 176.671 175.900 -0.012 0.000 0.997 61 Y CA -1.887 56.227 58.100 0.023 0.000 1.025 61 Y CB 1.287 39.769 38.460 0.037 0.000 1.263 61 Y HN -0.014 nan 8.280 nan 0.000 0.454 62 G N 0.047 108.929 108.800 0.137 0.000 2.651 62 G HA2 0.394 4.367 3.960 0.021 0.000 0.260 62 G HA3 0.394 4.367 3.960 0.021 0.000 0.260 62 G C 0.853 175.785 174.900 0.053 0.000 1.216 62 G CA -0.038 45.098 45.100 0.061 0.000 0.913 62 G HN 1.482 nan 8.290 nan 0.000 0.535 63 G N -2.347 106.450 108.800 -0.004 0.000 2.148 63 G HA2 -0.293 3.679 3.960 0.021 0.000 0.254 63 G HA3 -0.293 3.679 3.960 0.021 0.000 0.254 63 G C 0.910 175.771 174.900 -0.065 0.000 0.981 63 G CA 0.599 45.682 45.100 -0.028 0.000 0.670 63 G HN 0.948 nan 8.290 nan 0.000 0.528 64 C N 0.416 119.671 119.300 -0.076 0.000 2.625 64 C HA 0.341 4.814 4.460 0.021 0.000 0.285 64 C C 2.278 177.168 174.990 -0.166 0.000 1.279 64 C CA 0.411 59.380 59.018 -0.082 0.000 1.698 64 C CB -0.613 27.104 27.740 -0.037 0.000 1.821 64 C HN 0.639 nan 8.230 nan 0.000 0.600 65 E N 0.898 120.895 120.200 -0.338 0.000 2.114 65 E HA -0.220 4.143 4.350 0.021 0.000 0.199 65 E C 1.225 177.584 176.600 -0.402 0.000 1.008 65 E CA 1.919 58.032 56.400 -0.478 0.000 0.810 65 E CB -0.256 28.960 29.700 -0.806 0.000 0.739 65 E HN 0.813 nan 8.360 nan 0.000 0.456 66 Y N -0.832 119.468 120.300 -0.001 0.000 2.347 66 Y HA -0.028 4.534 4.550 0.020 0.000 0.294 66 Y C 2.316 178.212 175.900 -0.007 0.000 1.117 66 Y CA 0.374 58.472 58.100 -0.004 0.000 1.184 66 Y CB -0.279 38.176 38.460 -0.008 0.000 1.047 66 Y HN 0.007 nan 8.280 nan 0.000 0.546 67 V N -1.791 118.178 119.914 0.092 0.000 2.626 67 V HA -0.196 3.936 4.120 0.021 0.000 0.252 67 V C 1.347 177.453 176.094 0.019 0.000 1.067 67 V CA 1.995 64.320 62.300 0.042 0.000 1.081 67 V CB -0.461 31.368 31.823 0.010 0.000 0.686 67 V HN 0.184 nan 8.190 nan 0.000 0.468 68 D N 1.005 121.405 120.400 0.001 0.000 2.097 68 D HA -0.075 4.578 4.640 0.021 0.000 0.195 68 D C 2.073 178.389 176.300 0.027 0.000 0.989 68 D CA 1.944 55.947 54.000 0.004 0.000 0.827 68 D CB -0.292 40.494 40.800 -0.022 0.000 0.966 68 D HN 0.527 nan 8.370 nan 0.000 0.456 69 I N 0.261 120.856 120.570 0.041 0.000 2.163 69 I HA -0.255 3.927 4.170 0.021 0.000 0.243 69 I C 2.384 178.530 176.117 0.048 0.000 1.085 69 I CA 0.685 62.019 61.300 0.056 0.000 1.347 69 I CB -0.204 37.851 38.000 0.092 0.000 1.044 69 I HN -0.088 nan 8.210 nan 0.000 0.408 70 V N 0.600 120.541 119.914 0.045 0.000 2.295 70 V HA -0.319 3.814 4.120 0.021 0.000 0.246 70 V C 2.489 178.595 176.094 0.020 0.000 1.049 70 V CA 2.279 64.594 62.300 0.026 0.000 1.024 70 V CB -0.636 31.198 31.823 0.018 0.000 0.648 70 V HN 0.490 nan 8.190 nan 0.000 0.447 71 E N -0.187 120.028 120.200 0.025 0.000 2.110 71 E HA -0.285 4.078 4.350 0.021 0.000 0.193 71 E C 2.154 178.788 176.600 0.057 0.000 0.988 71 E CA 1.418 57.839 56.400 0.036 0.000 0.804 71 E CB -0.015 29.708 29.700 0.039 0.000 0.745 71 E HN 0.583 nan 8.360 nan 0.000 0.458 72 E N 0.421 120.653 120.200 0.054 0.000 2.106 72 E HA -0.125 4.238 4.350 0.021 0.000 0.192 72 E C 2.014 178.648 176.600 0.057 0.000 0.984 72 E CA 0.819 57.252 56.400 0.056 0.000 0.806 72 E CB -0.152 29.577 29.700 0.048 0.000 0.750 72 E HN 0.307 nan 8.360 nan 0.000 0.458 73 L N -0.254 121.001 121.223 0.052 0.000 2.012 73 L HA -0.222 4.130 4.340 0.021 0.000 0.210 73 L C 2.460 179.386 176.870 0.095 0.000 1.073 73 L CA 1.281 56.154 54.840 0.056 0.000 0.748 73 L CB -0.636 41.445 42.059 0.036 0.000 0.891 73 L HN 0.197 nan 8.230 nan 0.000 0.431 74 A N 0.140 123.017 122.820 0.096 0.000 1.865 74 A HA -0.228 4.105 4.320 0.021 0.000 0.217 74 A C 2.394 180.145 177.584 0.278 0.000 1.191 74 A CA 1.726 53.880 52.037 0.194 0.000 0.623 74 A CB -0.524 18.530 19.000 0.090 0.000 0.826 74 A HN 0.333 nan 8.150 nan 0.000 0.444 75 R N -0.765 119.823 120.500 0.145 0.000 2.073 75 R HA -0.100 4.252 4.340 0.021 0.000 0.234 75 R C 2.097 178.427 176.300 0.050 0.000 1.134 75 R CA 1.341 57.487 56.100 0.077 0.000 0.952 75 R CB -0.359 29.956 30.300 0.024 0.000 0.850 75 R HN 0.480 nan 8.270 nan 0.000 0.433 76 E N 0.736 120.969 120.200 0.056 0.000 2.072 76 E HA -0.142 4.221 4.350 0.021 0.000 0.191 76 E C 2.047 178.663 176.600 0.027 0.000 0.985 76 E CA 1.134 57.554 56.400 0.034 0.000 0.801 76 E CB -0.101 29.619 29.700 0.034 0.000 0.750 76 E HN 0.298 nan 8.360 nan 0.000 0.452 77 R N 0.509 121.049 120.500 0.066 0.000 2.092 77 R HA -0.015 4.338 4.340 0.021 0.000 0.231 77 R C 2.332 178.591 176.300 -0.069 0.000 1.119 77 R CA 1.143 57.272 56.100 0.048 0.000 0.970 77 R CB -0.295 30.099 30.300 0.158 0.000 0.864 77 R HN 0.100 nan 8.270 nan 0.000 0.440 78 A N 1.509 124.272 122.820 -0.096 0.000 1.902 78 A HA -0.198 4.134 4.320 0.021 0.000 0.217 78 A C 1.867 179.404 177.584 -0.079 0.000 1.181 78 A CA 1.443 53.310 52.037 -0.283 0.000 0.623 78 A CB -0.225 18.624 19.000 -0.251 0.000 0.818 78 A HN 0.191 nan 8.150 nan 0.000 0.443 79 K N -0.760 119.617 120.400 -0.039 0.000 2.097 79 K HA -0.158 4.175 4.320 0.021 0.000 0.205 79 K C 2.354 178.933 176.600 -0.035 0.000 1.050 79 K CA 1.462 57.742 56.287 -0.010 0.000 0.938 79 K CB -0.155 32.342 32.500 -0.004 0.000 0.718 79 K HN 0.640 nan 8.250 nan 0.000 0.442 80 Q N 0.482 120.244 119.800 -0.063 0.000 2.084 80 Q HA -0.173 4.180 4.340 0.021 0.000 0.202 80 Q C 1.948 177.852 176.000 -0.159 0.000 0.978 80 Q CA 1.104 56.857 55.803 -0.083 0.000 0.844 80 Q CB 0.078 28.775 28.738 -0.067 0.000 0.898 80 Q HN 0.136 nan 8.270 nan 0.000 0.426 81 L N -0.873 120.178 121.223 -0.286 0.000 2.056 81 L HA -0.069 4.283 4.340 0.021 0.000 0.207 81 L C 1.254 177.715 176.870 -0.681 0.000 1.078 81 L CA 1.762 56.252 54.840 -0.583 0.000 0.749 81 L CB -0.247 41.250 42.059 -0.936 0.000 0.901 81 L HN 0.251 nan 8.230 nan 0.000 0.433 82 F N -1.336 118.543 119.950 -0.118 0.000 2.728 82 F HA 0.407 4.945 4.527 0.019 0.000 0.314 82 F C 1.691 177.452 175.800 -0.065 0.000 1.094 82 F CA 0.263 58.209 58.000 -0.090 0.000 1.217 82 F CB -0.280 38.646 39.000 -0.122 0.000 1.056 82 F HN 0.075 nan 8.300 nan 0.000 0.577 83 G N 1.321 110.160 108.800 0.064 0.000 2.198 83 G HA2 -0.124 3.849 3.960 0.021 0.000 0.260 83 G HA3 -0.124 3.849 3.960 0.021 0.000 0.260 83 G C 0.312 175.232 174.900 0.033 0.000 1.025 83 G CA 0.069 45.187 45.100 0.030 0.000 0.769 83 G HN 0.652 nan 8.290 nan 0.000 0.507 84 A N -0.729 122.121 122.820 0.051 0.000 2.322 84 A HA 0.732 5.064 4.320 0.021 0.000 0.269 84 A C 1.097 178.701 177.584 0.033 0.000 1.094 84 A CA 0.581 52.638 52.037 0.033 0.000 0.807 84 A CB 0.505 19.523 19.000 0.029 0.000 1.047 84 A HN 0.420 nan 8.150 nan 0.000 0.487 85 E N -0.684 119.542 120.200 0.044 0.000 2.216 85 E HA -0.047 4.315 4.350 0.021 0.000 0.192 85 E C -0.152 176.524 176.600 0.127 0.000 0.988 85 E CA 1.029 57.464 56.400 0.059 0.000 0.834 85 E CB 0.062 29.785 29.700 0.037 0.000 0.772 85 E HN 0.739 nan 8.360 nan 0.000 0.479 86 H N -1.162 117.918 119.070 0.016 0.000 2.974 86 H HA 0.557 5.126 4.556 0.022 0.000 0.366 86 H C -1.762 173.585 175.328 0.032 0.000 1.155 86 H CA -0.578 55.484 56.048 0.023 0.000 1.186 86 H CB 1.663 31.443 29.762 0.030 0.000 1.799 86 H HN -0.017 nan 8.280 nan 0.000 0.541 87 A N 3.924 126.399 122.820 -0.576 0.000 2.386 87 A HA 0.463 4.796 4.320 0.021 0.000 0.311 87 A C -1.130 176.166 177.584 -0.481 0.000 1.068 87 A CA -0.852 50.968 52.037 -0.362 0.000 0.743 87 A CB 1.244 20.152 19.000 -0.153 0.000 1.258 87 A HN 0.712 nan 8.150 nan 0.000 0.429 88 N N 1.958 120.563 118.700 -0.159 0.000 2.483 88 N HA 0.315 5.068 4.740 0.021 0.000 0.267 88 N C 0.026 175.575 175.510 0.065 0.000 0.998 88 N CA -0.168 52.886 53.050 0.006 0.000 0.918 88 N CB 1.932 40.491 38.487 0.120 0.000 1.215 88 N HN 0.713 nan 8.380 nan 0.000 0.500 89 V N 1.311 121.284 119.914 0.099 0.000 3.542 89 V HA 0.224 4.357 4.120 0.021 0.000 0.296 89 V C 1.288 177.420 176.094 0.064 0.000 1.364 89 V CA 0.298 62.663 62.300 0.109 0.000 1.118 89 V CB -0.049 31.862 31.823 0.147 0.000 0.972 89 V HN 0.538 nan 8.190 nan 0.000 0.430 90 Q N 0.692 120.529 119.800 0.062 0.000 2.389 90 Q HA 0.161 4.513 4.340 0.021 0.000 0.204 90 Q C -1.565 174.374 176.000 -0.101 0.000 0.944 90 Q CA -0.350 55.443 55.803 -0.016 0.000 0.908 90 Q CB -0.808 27.920 28.738 -0.017 0.000 1.002 90 Q HN 0.561 nan 8.270 nan 0.000 0.493 91 P HA -0.096 nan 4.420 nan 0.000 0.264 91 P C -0.093 177.169 177.300 -0.063 0.000 1.193 91 P CA 0.533 63.569 63.100 -0.105 0.000 0.763 91 P CB 0.434 32.116 31.700 -0.031 0.000 0.810 92 H N 0.469 119.532 119.070 -0.012 0.000 2.521 92 H HA 0.019 4.588 4.556 0.021 0.000 0.286 92 H C 0.973 176.293 175.328 -0.013 0.000 1.034 92 H CA 1.095 57.125 56.048 -0.029 0.000 1.278 92 H CB 0.067 29.807 29.762 -0.037 0.000 1.386 92 H HN 0.504 nan 8.280 nan 0.000 0.567 93 S N -2.871 112.898 115.700 0.115 0.000 2.636 93 S HA 0.384 4.867 4.470 0.021 0.000 0.266 93 S C 1.268 175.920 174.600 0.086 0.000 1.147 93 S CA -0.379 57.888 58.200 0.111 0.000 0.815 93 S CB 1.041 64.300 63.200 0.099 0.000 1.119 93 S HN 0.090 nan 8.310 nan 0.000 0.470 94 G N 0.745 109.604 108.800 0.098 0.000 2.422 94 G HA2 0.113 4.086 3.960 0.021 0.000 0.218 94 G HA3 0.113 4.086 3.960 0.021 0.000 0.218 94 G C 1.534 176.466 174.900 0.054 0.000 1.146 94 G CA 1.175 46.293 45.100 0.030 0.000 0.769 94 G HN 1.379 nan 8.290 nan 0.000 0.547 95 A N 0.309 123.194 122.820 0.108 0.000 1.892 95 A HA -0.153 4.180 4.320 0.021 0.000 0.218 95 A C 2.380 180.018 177.584 0.091 0.000 1.188 95 A CA 2.285 54.426 52.037 0.173 0.000 0.631 95 A CB -0.456 18.654 19.000 0.182 0.000 0.822 95 A HN 0.350 nan 8.150 nan 0.000 0.447 96 Q N -0.603 119.210 119.800 0.022 0.000 2.167 96 Q HA 0.115 4.468 4.340 0.021 0.000 0.202 96 Q C 2.294 178.262 176.000 -0.053 0.000 0.970 96 Q CA 1.544 57.318 55.803 -0.047 0.000 0.855 96 Q CB -0.658 28.056 28.738 -0.040 0.000 0.911 96 Q HN 0.653 nan 8.270 nan 0.000 0.438 97 A N 0.900 123.701 122.820 -0.031 0.000 1.865 97 A HA -0.247 4.086 4.320 0.021 0.000 0.217 97 A C 1.819 179.340 177.584 -0.106 0.000 1.191 97 A CA 1.837 53.843 52.037 -0.051 0.000 0.623 97 A CB -0.678 18.300 19.000 -0.038 0.000 0.826 97 A HN 0.349 nan 8.150 nan 0.000 0.444 98 N N -0.602 118.033 118.700 -0.108 0.000 2.084 98 N HA -0.165 4.587 4.740 0.021 0.000 0.190 98 N C 1.733 176.998 175.510 -0.408 0.000 1.030 98 N CA 1.716 54.586 53.050 -0.300 0.000 0.849 98 N CB -0.542 37.864 38.487 -0.136 0.000 1.012 98 N HN 0.638 nan 8.380 nan 0.000 0.423 99 M N 0.575 120.168 119.600 -0.013 0.000 2.106 99 M HA -0.173 4.320 4.480 0.021 0.000 0.259 99 M C 1.836 178.176 176.300 0.066 0.000 1.068 99 M CA 1.763 57.128 55.300 0.108 0.000 1.100 99 M CB -0.030 32.414 32.600 -0.259 0.000 1.351 99 M HN 0.195 nan 8.290 nan 0.000 0.404 100 A N -0.594 122.201 122.820 -0.042 0.000 1.898 100 A HA -0.101 4.231 4.320 0.021 0.000 0.216 100 A C 2.015 179.584 177.584 -0.025 0.000 1.181 100 A CA 1.775 53.813 52.037 0.002 0.000 0.620 100 A CB -1.042 17.945 19.000 -0.022 0.000 0.819 100 A HN 0.426 nan 8.150 nan 0.000 0.442 101 V N -0.972 118.821 119.914 -0.202 0.000 2.295 101 V HA -0.266 3.866 4.120 0.021 0.000 0.246 101 V C 2.440 178.366 176.094 -0.280 0.000 1.049 101 V CA 1.873 63.925 62.300 -0.415 0.000 1.024 101 V CB -1.128 30.382 31.823 -0.522 0.000 0.648 101 V HN 0.630 nan 8.190 nan 0.000 0.447 102 Y N -0.839 119.391 120.300 -0.116 0.000 2.165 102 Y HA -0.209 4.354 4.550 0.023 0.000 0.286 102 Y C 2.291 178.183 175.900 -0.014 0.000 1.155 102 Y CA 0.981 58.989 58.100 -0.154 0.000 1.164 102 Y CB -1.243 37.220 38.460 0.005 0.000 0.978 102 Y HN 0.284 nan 8.280 nan 0.000 0.513 103 F N 0.632 120.679 119.950 0.163 0.000 2.216 103 F HA -0.198 4.343 4.527 0.023 0.000 0.300 103 F C 2.177 177.983 175.800 0.010 0.000 1.085 103 F CA 1.807 59.885 58.000 0.131 0.000 1.326 103 F CB -0.435 38.622 39.000 0.094 0.000 1.027 103 F HN -0.050 nan 8.300 nan 0.000 0.497 104 T N -0.554 113.981 114.554 -0.033 0.000 2.770 104 T HA -0.110 4.253 4.350 0.021 0.000 0.263 104 T C 1.935 176.487 174.700 -0.247 0.000 1.039 104 T CA 1.996 63.997 62.100 -0.164 0.000 1.142 104 T CB -0.441 68.274 68.868 -0.255 0.000 0.868 104 T HN 0.244 nan 8.240 nan 0.000 0.435 105 V N -1.842 117.872 119.914 -0.332 0.000 3.645 105 V HA 0.484 4.617 4.120 0.021 0.000 0.275 105 V C 0.425 176.401 176.094 -0.197 0.000 1.356 105 V CA -0.145 61.941 62.300 -0.357 0.000 1.051 105 V CB -0.438 30.952 31.823 -0.722 0.000 0.828 105 V HN 0.222 nan 8.190 nan 0.000 0.441 106 L N 0.979 122.100 121.223 -0.170 0.000 2.330 106 L HA 0.668 5.020 4.340 0.021 0.000 0.271 106 L C -0.154 176.748 176.870 0.052 0.000 1.013 106 L CA -0.461 54.320 54.840 -0.099 0.000 0.816 106 L CB 1.974 43.830 42.059 -0.339 0.000 1.287 106 L HN 0.156 nan 8.230 nan 0.000 0.435 107 E N -0.000 120.261 120.200 0.103 0.000 2.222 107 E HA 0.205 4.567 4.350 0.021 0.000 0.267 107 E C -0.657 176.097 176.600 0.256 0.000 0.963 107 E CA -0.830 55.659 56.400 0.147 0.000 0.837 107 E CB 1.378 31.124 29.700 0.077 0.000 1.183 107 E HN 0.466 nan 8.360 nan 0.000 0.403 108 H N 0.816 119.952 119.070 0.110 0.000 3.167 108 H HA -0.115 4.453 4.556 0.021 0.000 0.306 108 H C 0.891 176.245 175.328 0.042 0.000 0.965 108 H CA 1.953 58.010 56.048 0.015 0.000 1.408 108 H CB 0.162 29.911 29.762 -0.021 0.000 1.406 108 H HN 0.849 nan 8.280 nan 0.000 0.576 109 G N 4.464 112.994 108.800 -0.450 0.000 2.195 109 G HA2 -0.255 3.718 3.960 0.021 0.000 0.246 109 G HA3 -0.255 3.718 3.960 0.021 0.000 0.246 109 G C 0.081 174.929 174.900 -0.086 0.000 0.984 109 G CA 0.232 45.136 45.100 -0.327 0.000 0.633 109 G HN 0.692 nan 8.290 nan 0.000 0.525 110 D N 1.342 121.754 120.400 0.021 0.000 2.449 110 D HA 0.407 5.059 4.640 0.021 0.000 0.236 110 D C 0.858 177.109 176.300 -0.082 0.000 1.149 110 D CA 0.850 54.843 54.000 -0.011 0.000 0.878 110 D CB 0.640 41.434 40.800 -0.010 0.000 1.198 110 D HN 0.128 nan 8.370 nan 0.000 0.446 111 T N 1.206 115.691 114.554 -0.116 0.000 2.832 111 T HA 0.412 4.774 4.350 0.021 0.000 0.296 111 T C 0.010 174.524 174.700 -0.310 0.000 0.968 111 T CA -0.535 61.456 62.100 -0.182 0.000 1.107 111 T CB 0.792 69.604 68.868 -0.094 0.000 0.916 111 T HN -0.008 nan 8.240 nan 0.000 0.517 112 V N 4.135 123.715 119.914 -0.556 0.000 2.735 112 V HA 0.537 4.670 4.120 0.021 0.000 0.310 112 V C -0.689 175.064 176.094 -0.568 0.000 1.061 112 V CA -1.039 60.810 62.300 -0.751 0.000 0.913 112 V CB 1.980 32.869 31.823 -1.557 0.000 1.005 112 V HN 0.673 nan 8.190 nan 0.000 0.428 113 L N 3.844 124.923 121.223 -0.240 0.000 2.298 113 L HA 0.942 5.295 4.340 0.021 0.000 0.284 113 L C 0.227 177.187 176.870 0.150 0.000 1.013 113 L CA 0.496 55.336 54.840 0.001 0.000 0.824 113 L CB 0.885 43.022 42.059 0.131 0.000 1.221 113 L HN 0.795 nan 8.230 nan 0.000 0.418 114 G N 3.969 112.848 108.800 0.131 0.000 2.714 114 G HA2 0.450 4.423 3.960 0.021 0.000 0.292 114 G HA3 0.450 4.423 3.960 0.021 0.000 0.292 114 G C -1.145 173.409 174.900 -0.577 0.000 1.308 114 G CA -0.981 44.147 45.100 0.047 0.000 0.964 114 G HN 0.653 nan 8.290 nan 0.000 0.484 115 M N 1.619 120.822 119.600 -0.662 0.000 2.228 115 M HA 0.147 4.639 4.480 0.021 0.000 0.351 115 M C 0.615 176.625 176.300 -0.483 0.000 1.233 115 M CA -0.620 54.120 55.300 -0.934 0.000 1.129 115 M CB 0.400 32.789 32.600 -0.352 0.000 1.604 115 M HN 0.589 nan 8.290 nan 0.000 0.457 116 N N 3.808 122.197 118.700 -0.518 0.000 2.294 116 N HA -0.100 4.652 4.740 0.021 0.000 0.263 116 N C 0.391 175.730 175.510 -0.285 0.000 1.281 116 N CA 0.265 53.053 53.050 -0.437 0.000 0.846 116 N CB 0.548 38.564 38.487 -0.784 0.000 1.061 116 N HN 0.722 nan 8.380 nan 0.000 0.478 117 L N 2.985 124.067 121.223 -0.235 0.000 2.275 117 L HA -0.065 4.288 4.340 0.021 0.000 0.215 117 L C 2.091 178.880 176.870 -0.135 0.000 1.119 117 L CA 1.216 55.952 54.840 -0.174 0.000 0.790 117 L CB -0.233 41.709 42.059 -0.194 0.000 0.919 117 L HN 0.529 nan 8.230 nan 0.000 0.443 118 S N -2.420 113.199 115.700 -0.135 0.000 2.593 118 S HA 0.064 4.546 4.470 0.021 0.000 0.217 118 S C 1.247 175.914 174.600 0.111 0.000 0.966 118 S CA 0.107 58.282 58.200 -0.041 0.000 0.914 118 S CB -0.299 62.875 63.200 -0.044 0.000 0.776 118 S HN 0.570 nan 8.310 nan 0.000 0.523 119 H N -0.618 118.356 119.070 -0.160 0.000 2.755 119 H HA 0.322 4.890 4.556 0.021 0.000 0.273 119 H C 1.531 176.830 175.328 -0.049 0.000 1.055 119 H CA 0.154 56.128 56.048 -0.122 0.000 1.191 119 H CB 0.819 30.495 29.762 -0.144 0.000 1.536 119 H HN 0.486 nan 8.280 nan 0.000 0.529 120 G N 0.649 109.482 108.800 0.055 0.000 2.425 120 G HA2 -0.188 3.784 3.960 0.021 0.000 0.177 120 G HA3 -0.188 3.784 3.960 0.021 0.000 0.177 120 G C 0.705 175.624 174.900 0.033 0.000 0.999 120 G CA -0.356 44.773 45.100 0.050 0.000 0.723 120 G HN 0.509 nan 8.290 nan 0.000 0.491 121 G N -0.115 108.685 108.800 -0.000 0.000 2.544 121 G HA2 0.440 4.413 3.960 0.021 0.000 0.242 121 G HA3 0.440 4.413 3.960 0.021 0.000 0.242 121 G C -0.133 174.750 174.900 -0.028 0.000 1.247 121 G CA 0.184 45.316 45.100 0.054 0.000 0.840 121 G HN 0.463 nan 8.290 nan 0.000 0.578 122 H N 1.282 120.171 119.070 -0.302 0.000 2.488 122 H HA 0.126 4.695 4.556 0.021 0.000 0.347 122 H C 1.449 176.521 175.328 -0.427 0.000 1.174 122 H CA -0.857 54.888 56.048 -0.504 0.000 1.307 122 H CB 1.633 30.896 29.762 -0.832 0.000 1.517 122 H HN 0.326 nan 8.280 nan 0.000 0.554 123 L N 2.968 123.557 121.223 -1.056 0.000 2.064 123 L HA -0.244 4.108 4.340 0.021 0.000 0.216 123 L C 2.404 178.973 176.870 -0.502 0.000 1.077 123 L CA 2.626 57.036 54.840 -0.718 0.000 0.766 123 L CB -0.687 40.944 42.059 -0.712 0.000 0.890 123 L HN 0.856 nan 8.230 nan 0.000 0.435 124 T N -4.863 109.473 114.554 -0.363 0.000 3.160 124 T HA -0.065 4.298 4.350 0.021 0.000 0.257 124 T C 0.911 175.615 174.700 0.007 0.000 1.147 124 T CA 0.692 62.745 62.100 -0.078 0.000 1.064 124 T CB -0.947 68.092 68.868 0.286 0.000 0.949 124 T HN 0.625 nan 8.240 nan 0.000 0.526 125 H N 0.510 119.451 119.070 -0.215 0.000 2.550 125 H HA 0.498 5.067 4.556 0.021 0.000 0.304 125 H C 1.422 176.174 175.328 -0.959 0.000 1.086 125 H CA -0.446 55.419 56.048 -0.305 0.000 1.089 125 H CB 0.081 29.823 29.762 -0.033 0.000 1.528 125 H HN 0.512 nan 8.280 nan 0.000 0.539 126 G N 0.858 108.904 108.800 -1.257 0.000 2.164 126 G HA2 -0.279 3.693 3.960 0.021 0.000 0.154 126 G HA3 -0.279 3.693 3.960 0.021 0.000 0.154 126 G C 0.222 174.771 174.900 -0.584 0.000 1.014 126 G CA -0.041 44.198 45.100 -1.436 0.000 0.683 126 G HN 0.390 nan 8.290 nan 0.000 0.500 127 S N 1.334 116.763 115.700 -0.451 0.000 2.552 127 S HA 0.390 4.872 4.470 0.021 0.000 0.289 127 S C 0.027 174.497 174.600 -0.216 0.000 1.304 127 S CA 0.063 58.093 58.200 -0.284 0.000 1.063 127 S CB 1.101 64.146 63.200 -0.257 0.000 0.848 127 S HN 0.185 nan 8.310 nan 0.000 0.499 128 P HA -0.008 nan 4.420 nan 0.000 0.234 128 P C 0.976 178.240 177.300 -0.060 0.000 1.167 128 P CA 0.672 63.720 63.100 -0.086 0.000 0.763 128 P CB -0.292 31.374 31.700 -0.057 0.000 0.835 129 V N -4.508 115.367 119.914 -0.065 0.000 3.578 129 V HA 0.271 4.404 4.120 0.021 0.000 0.290 129 V C 0.748 176.827 176.094 -0.025 0.000 1.376 129 V CA -0.392 61.890 62.300 -0.029 0.000 1.083 129 V CB -0.884 30.933 31.823 -0.009 0.000 0.911 129 V HN 0.013 nan 8.190 nan 0.000 0.433 130 N N 0.617 119.272 118.700 -0.075 0.000 2.430 130 N HA 0.234 4.986 4.740 0.021 0.000 0.298 130 N C 1.021 176.495 175.510 -0.059 0.000 1.130 130 N CA -0.117 52.897 53.050 -0.061 0.000 0.894 130 N CB 2.119 40.493 38.487 -0.189 0.000 1.209 130 N HN 0.214 nan 8.380 nan 0.000 0.503 131 F N 2.160 122.123 119.950 0.022 0.000 2.154 131 F HA -0.194 4.346 4.527 0.021 0.000 0.301 131 F C 2.313 178.157 175.800 0.072 0.000 1.087 131 F CA 1.508 59.536 58.000 0.048 0.000 1.274 131 F CB -1.059 37.993 39.000 0.088 0.000 1.009 131 F HN 0.451 nan 8.300 nan 0.000 0.485 132 S N 0.511 115.595 115.700 -1.026 0.000 2.359 132 S HA -0.085 4.397 4.470 0.021 0.000 0.224 132 S C 2.294 176.766 174.600 -0.213 0.000 1.035 132 S CA 1.062 58.890 58.200 -0.621 0.000 1.018 132 S CB -1.708 60.994 63.200 -0.830 0.000 0.876 132 S HN 0.575 nan 8.310 nan 0.000 0.448 133 G N 0.386 108.996 108.800 -0.316 0.000 2.511 133 G HA2 0.086 4.058 3.960 0.021 0.000 0.217 133 G HA3 0.086 4.058 3.960 0.021 0.000 0.217 133 G C 1.325 176.199 174.900 -0.043 0.000 1.133 133 G CA 0.646 45.663 45.100 -0.139 0.000 0.792 133 G HN 0.475 nan 8.290 nan 0.000 0.539 134 V N 0.003 119.882 119.914 -0.057 0.000 2.535 134 V HA -0.063 4.070 4.120 0.021 0.000 0.246 134 V C 2.551 178.620 176.094 -0.042 0.000 1.045 134 V CA 1.939 64.228 62.300 -0.019 0.000 1.058 134 V CB 0.396 32.230 31.823 0.020 0.000 0.689 134 V HN 0.423 nan 8.190 nan 0.000 0.461 135 Q N -0.895 118.827 119.800 -0.131 0.000 2.250 135 Q HA 0.071 4.424 4.340 0.021 0.000 0.200 135 Q C -0.146 175.456 176.000 -0.663 0.000 0.941 135 Q CA 0.954 56.539 55.803 -0.362 0.000 0.872 135 Q CB 0.250 28.661 28.738 -0.545 0.000 0.965 135 Q HN 0.633 nan 8.270 nan 0.000 0.480 136 Y N -0.718 119.588 120.300 0.009 0.000 2.570 136 Y HA 0.407 4.969 4.550 0.020 0.000 0.345 136 Y C -0.578 175.305 175.900 -0.028 0.000 1.014 136 Y CA -1.900 56.159 58.100 -0.068 0.000 1.063 136 Y CB 0.890 39.278 38.460 -0.120 0.000 1.272 136 Y HN -0.154 nan 8.280 nan 0.000 0.477 137 N N 1.407 120.122 118.700 0.024 0.000 2.602 137 N HA 0.223 4.976 4.740 0.021 0.000 0.238 137 N C -1.761 173.696 175.510 -0.088 0.000 1.084 137 N CA -0.079 52.956 53.050 -0.024 0.000 0.952 137 N CB -0.289 38.158 38.487 -0.066 0.000 1.244 137 N HN 0.409 nan 8.380 nan 0.000 0.512 138 F N 2.571 122.455 119.950 -0.110 0.000 2.410 138 F HA 0.264 4.803 4.527 0.021 0.000 0.348 138 F C 0.720 176.415 175.800 -0.174 0.000 1.106 138 F CA -0.455 57.462 58.000 -0.139 0.000 1.163 138 F CB 0.849 39.765 39.000 -0.139 0.000 1.129 138 F HN 0.134 nan 8.300 nan 0.000 0.516 139 V N 0.796 120.654 119.914 -0.094 0.000 3.019 139 V HA 0.987 5.120 4.120 0.021 0.000 0.317 139 V C -0.585 175.457 176.094 -0.086 0.000 1.094 139 V CA -1.143 61.042 62.300 -0.192 0.000 1.000 139 V CB 1.421 32.921 31.823 -0.537 0.000 1.060 139 V HN 0.878 nan 8.190 nan 0.000 0.443 140 A N 2.040 124.796 122.820 -0.106 0.000 2.386 140 A HA 0.910 5.242 4.320 0.021 0.000 0.311 140 A C -0.989 176.553 177.584 -0.070 0.000 1.068 140 A CA -0.721 51.225 52.037 -0.151 0.000 0.743 140 A CB 1.404 20.274 19.000 -0.216 0.000 1.258 140 A HN 1.531 nan 8.150 nan 0.000 0.429 141 Y N 0.124 120.413 120.300 -0.019 0.000 2.453 141 Y HA 0.822 5.385 4.550 0.021 0.000 0.326 141 Y C 0.474 176.345 175.900 -0.049 0.000 1.186 141 Y CA -0.923 57.167 58.100 -0.017 0.000 1.200 141 Y CB 0.950 39.409 38.460 -0.002 0.000 1.247 141 Y HN 0.764 nan 8.280 nan 0.000 0.482 142 G N 0.495 109.416 108.800 0.203 0.000 2.568 142 G HA2 0.572 4.544 3.960 0.021 0.000 0.313 142 G HA3 0.572 4.544 3.960 0.021 0.000 0.313 142 G C -0.906 174.201 174.900 0.345 0.000 1.227 142 G CA -0.754 44.498 45.100 0.254 0.000 0.979 142 G HN 1.063 nan 8.290 nan 0.000 0.486 143 V N -1.308 118.879 119.914 0.456 0.000 2.904 143 V HA 0.514 4.646 4.120 0.021 0.000 0.305 143 V C 0.164 176.443 176.094 0.307 0.000 1.067 143 V CA -0.965 61.497 62.300 0.270 0.000 1.044 143 V CB 1.505 33.466 31.823 0.231 0.000 1.050 143 V HN 0.714 nan 8.190 nan 0.000 0.475 144 D N 3.427 123.951 120.400 0.207 0.000 2.455 144 D HA 0.216 4.869 4.640 0.021 0.000 0.241 144 D C -1.419 174.960 176.300 0.131 0.000 1.138 144 D CA -1.041 53.041 54.000 0.136 0.000 0.877 144 D CB 1.380 42.215 40.800 0.058 0.000 1.187 144 D HN 0.503 nan 8.370 nan 0.000 0.451 145 P HA -0.093 nan 4.420 nan 0.000 0.226 145 P C 0.518 177.717 177.300 -0.168 0.000 1.153 145 P CA 0.920 63.874 63.100 -0.242 0.000 0.777 145 P CB 0.414 31.744 31.700 -0.618 0.000 0.794 146 E N -0.495 119.578 120.200 -0.211 0.000 2.110 146 E HA -0.045 4.317 4.350 0.021 0.000 0.193 146 E C 2.057 178.364 176.600 -0.490 0.000 0.950 146 E CA 1.530 57.758 56.400 -0.286 0.000 0.840 146 E CB -0.792 28.814 29.700 -0.157 0.000 0.809 146 E HN 0.218 nan 8.360 nan 0.000 0.465 147 T N -2.856 111.513 114.554 -0.308 0.000 3.054 147 T HA -0.030 4.333 4.350 0.021 0.000 0.259 147 T C 0.170 174.768 174.700 -0.168 0.000 1.092 147 T CA 0.859 62.828 62.100 -0.218 0.000 1.121 147 T CB -0.415 68.420 68.868 -0.054 0.000 0.912 147 T HN 0.383 nan 8.240 nan 0.000 0.489 148 H N -0.788 118.332 119.070 0.085 0.000 3.010 148 H HA -0.104 4.465 4.556 0.021 0.000 0.272 148 H C -0.408 175.048 175.328 0.214 0.000 1.151 148 H CA 0.121 56.241 56.048 0.119 0.000 1.159 148 H CB -2.439 27.371 29.762 0.079 0.000 1.295 148 H HN 0.348 nan 8.280 nan 0.000 0.344 149 V N 1.302 121.375 119.914 0.265 0.000 2.567 149 V HA 0.149 4.281 4.120 0.021 0.000 0.289 149 V C 1.344 177.585 176.094 0.244 0.000 1.049 149 V CA -0.554 61.948 62.300 0.337 0.000 0.969 149 V CB 1.488 33.449 31.823 0.230 0.000 0.995 149 V HN 0.199 nan 8.190 nan 0.000 0.471 150 I N 3.416 124.090 120.570 0.172 0.000 2.906 150 I HA -0.073 4.110 4.170 0.021 0.000 0.301 150 I C 0.672 176.632 176.117 -0.261 0.000 1.221 150 I CA 0.626 61.822 61.300 -0.173 0.000 1.435 150 I CB 0.070 37.752 38.000 -0.531 0.000 1.345 150 I HN 0.643 nan 8.210 nan 0.000 0.558 151 D N 6.983 127.289 120.400 -0.158 0.000 2.393 151 D HA 0.044 4.697 4.640 0.021 0.000 0.232 151 D C 0.581 176.738 176.300 -0.239 0.000 1.192 151 D CA -0.057 53.888 54.000 -0.091 0.000 0.882 151 D CB 0.441 41.259 40.800 0.030 0.000 1.038 151 D HN 0.335 nan 8.370 nan 0.000 0.499 152 Y N 1.569 121.794 120.300 -0.125 0.000 2.352 152 Y HA -0.116 4.446 4.550 0.021 0.000 0.292 152 Y C 1.979 177.766 175.900 -0.188 0.000 1.136 152 Y CA 0.682 58.632 58.100 -0.250 0.000 1.227 152 Y CB 0.215 38.517 38.460 -0.263 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.545 153 D N -0.211 120.197 120.400 0.013 0.000 2.183 153 D HA -0.163 4.489 4.640 0.021 0.000 0.203 153 D C 1.548 177.840 176.300 -0.015 0.000 0.969 153 D CA 1.390 55.388 54.000 -0.003 0.000 0.842 153 D CB -0.205 40.602 40.800 0.012 0.000 0.957 153 D HN 0.409 nan 8.370 nan 0.000 0.484 154 D N 0.454 120.845 120.400 -0.015 0.000 2.117 154 D HA -0.117 4.536 4.640 0.021 0.000 0.198 154 D C 2.157 178.457 176.300 0.001 0.000 0.982 154 D CA 0.558 54.570 54.000 0.020 0.000 0.828 154 D CB 0.126 40.967 40.800 0.068 0.000 0.967 154 D HN -0.109 nan 8.370 nan 0.000 0.464 155 V N 0.670 120.504 119.914 -0.133 0.000 2.282 155 V HA -0.284 3.849 4.120 0.021 0.000 0.249 155 V C 2.644 178.671 176.094 -0.112 0.000 1.057 155 V CA 2.252 64.401 62.300 -0.252 0.000 1.032 155 V CB -0.668 30.736 31.823 -0.697 0.000 0.645 155 V HN 0.239 nan 8.190 nan 0.000 0.447 156 R N -0.090 120.349 120.500 -0.101 0.000 2.073 156 R HA -0.218 4.135 4.340 0.021 0.000 0.234 156 R C 2.438 178.732 176.300 -0.011 0.000 1.134 156 R CA 2.094 58.164 56.100 -0.050 0.000 0.952 156 R CB -0.307 29.966 30.300 -0.046 0.000 0.850 156 R HN 0.690 nan 8.270 nan 0.000 0.433 157 E N 0.184 120.384 120.200 0.000 0.000 2.051 157 E HA -0.197 4.165 4.350 0.021 0.000 0.192 157 E C 1.621 178.241 176.600 0.032 0.000 0.991 157 E CA 1.132 57.538 56.400 0.010 0.000 0.799 157 E CB 0.183 29.892 29.700 0.015 0.000 0.748 157 E HN 0.161 nan 8.360 nan 0.000 0.449 158 K N 0.297 120.750 120.400 0.088 0.000 2.063 158 K HA -0.143 4.189 4.320 0.021 0.000 0.208 158 K C 2.103 178.818 176.600 0.191 0.000 1.048 158 K CA 1.130 57.538 56.287 0.203 0.000 0.928 158 K CB -0.506 32.141 32.500 0.244 0.000 0.713 158 K HN 0.200 nan 8.250 nan 0.000 0.442 159 A N 1.670 124.556 122.820 0.110 0.000 1.902 159 A HA -0.184 4.149 4.320 0.021 0.000 0.217 159 A C 2.242 179.855 177.584 0.048 0.000 1.181 159 A CA 1.516 53.603 52.037 0.083 0.000 0.623 159 A CB -0.394 18.636 19.000 0.050 0.000 0.818 159 A HN 0.277 nan 8.150 nan 0.000 0.443 160 R N -1.377 119.133 120.500 0.017 0.000 2.115 160 R HA 0.001 4.354 4.340 0.021 0.000 0.226 160 R C 2.091 178.367 176.300 -0.040 0.000 1.100 160 R CA 1.166 57.261 56.100 -0.009 0.000 0.980 160 R CB -0.401 29.890 30.300 -0.015 0.000 0.875 160 R HN 0.494 nan 8.270 nan 0.000 0.445 161 L N 0.062 121.234 121.223 -0.084 0.000 2.023 161 L HA -0.107 4.246 4.340 0.021 0.000 0.205 161 L C 1.815 178.537 176.870 -0.246 0.000 1.073 161 L CA 1.892 56.603 54.840 -0.215 0.000 0.745 161 L CB -0.314 41.521 42.059 -0.373 0.000 0.900 161 L HN 0.185 nan 8.230 nan 0.000 0.435 162 H N -0.025 119.045 119.070 -0.001 0.000 2.562 162 H HA 0.231 4.800 4.556 0.021 0.000 0.267 162 H C 0.027 175.345 175.328 -0.017 0.000 0.959 162 H CA 0.127 56.170 56.048 -0.009 0.000 1.204 162 H CB 0.266 30.023 29.762 -0.009 0.000 1.430 162 H HN 0.153 nan 8.280 nan 0.000 0.545 163 R N 0.533 121.080 120.500 0.078 0.000 3.146 163 R HA -0.103 4.250 4.340 0.021 0.000 0.250 163 R C -2.607 173.709 176.300 0.028 0.000 0.912 163 R CA -0.026 56.096 56.100 0.037 0.000 0.633 163 R CB -2.426 27.883 30.300 0.015 0.000 1.180 163 R HN 0.442 nan 8.270 nan 0.000 0.464 164 P HA 0.072 nan 4.420 nan 0.000 0.272 164 P C 0.635 177.924 177.300 -0.019 0.000 1.223 164 P CA -0.256 62.831 63.100 -0.022 0.000 0.784 164 P CB 0.872 32.555 31.700 -0.030 0.000 0.923 165 K N 0.633 121.009 120.400 -0.040 0.000 2.228 165 K HA 0.011 4.344 4.320 0.021 0.000 0.202 165 K C 0.339 176.981 176.600 0.069 0.000 1.051 165 K CA 0.556 56.848 56.287 0.009 0.000 0.960 165 K CB -0.003 32.503 32.500 0.009 0.000 0.743 165 K HN 0.313 nan 8.250 nan 0.000 0.458 166 L N 0.900 122.121 121.223 -0.003 0.000 2.431 166 L HA 0.457 4.810 4.340 0.021 0.000 0.266 166 L C -1.560 175.320 176.870 0.017 0.000 0.978 166 L CA -0.600 54.266 54.840 0.044 0.000 0.822 166 L CB 1.899 43.931 42.059 -0.045 0.000 1.310 166 L HN -0.082 nan 8.230 nan 0.000 0.409 167 I N 4.996 125.637 120.570 0.118 0.000 2.404 167 I HA 0.505 4.688 4.170 0.021 0.000 0.293 167 I C -0.762 175.452 176.117 0.162 0.000 0.992 167 I CA -0.999 60.398 61.300 0.163 0.000 1.149 167 I CB 1.959 40.106 38.000 0.245 0.000 1.315 167 I HN 0.254 nan 8.210 nan 0.000 0.446 168 V N 5.508 125.513 119.914 0.151 0.000 2.398 168 V HA 0.699 4.832 4.120 0.021 0.000 0.286 168 V C 0.251 176.341 176.094 -0.008 0.000 1.026 168 V CA -0.414 61.914 62.300 0.047 0.000 0.868 168 V CB 1.407 33.229 31.823 -0.002 0.000 0.982 168 V HN 0.849 nan 8.190 nan 0.000 0.443 169 A N 4.116 126.810 122.820 -0.210 0.000 2.356 169 A HA 1.061 5.393 4.320 0.021 0.000 0.323 169 A C -0.005 177.488 177.584 -0.151 0.000 1.119 169 A CA 0.028 51.799 52.037 -0.442 0.000 0.790 169 A CB 1.597 19.928 19.000 -1.114 0.000 1.273 169 A HN 2.459 nan 8.150 nan 0.000 0.452 170 A N -0.830 121.974 122.820 -0.026 0.000 2.435 170 A HA 0.576 4.909 4.320 0.021 0.000 0.686 170 A C -0.369 177.330 177.584 0.193 0.000 0.139 170 A CA -0.041 52.070 52.037 0.124 0.000 0.029 170 A CB -1.407 17.663 19.000 0.117 0.000 3.972 170 A HN 2.959 nan 8.150 nan 0.000 0.548 171 A N -0.572 122.384 122.820 0.227 0.000 2.612 171 A HA 0.930 5.262 4.320 0.021 0.000 0.293 171 A C 0.605 178.244 177.584 0.091 0.000 1.075 171 A CA 0.691 52.842 52.037 0.191 0.000 0.680 171 A CB 0.608 19.711 19.000 0.172 0.000 1.279 171 A HN 2.428 nan 8.150 nan 0.000 0.411 172 S N -0.457 115.244 115.700 0.002 0.000 2.517 172 S HA 0.475 4.957 4.470 0.021 0.000 0.214 172 S C 0.745 175.098 174.600 -0.411 0.000 0.991 172 S CA 0.773 58.838 58.200 -0.225 0.000 0.906 172 S CB 0.495 63.737 63.200 0.069 0.000 0.789 172 S HN 2.128 nan 8.310 nan 0.000 0.513 173 A N 0.406 123.134 122.820 -0.153 0.000 3.165 173 A HA 0.508 4.841 4.320 0.021 0.000 0.212 173 A C -0.889 176.718 177.584 0.038 0.000 0.935 173 A CA -0.431 51.542 52.037 -0.108 0.000 1.100 173 A CB -0.019 18.936 19.000 -0.074 0.000 1.260 173 A HN 0.413 nan 8.150 nan 0.000 0.532 174 Y N 1.819 122.071 120.300 -0.080 0.000 2.328 174 Y HA 0.551 5.113 4.550 0.021 0.000 0.333 174 Y C -2.227 173.672 175.900 -0.000 0.000 0.958 174 Y CA -2.339 55.759 58.100 -0.004 0.000 1.167 174 Y CB 2.175 40.672 38.460 0.062 0.000 1.151 174 Y HN 0.233 nan 8.280 nan 0.000 0.470 175 P HA 0.106 nan 4.420 nan 0.000 0.249 175 P C -0.286 176.802 177.300 -0.353 0.000 1.229 175 P CA 0.569 63.491 63.100 -0.297 0.000 0.788 175 P CB 0.508 32.082 31.700 -0.209 0.000 1.072 176 R N -0.110 119.963 120.500 -0.711 0.000 2.832 176 R HA 0.484 4.836 4.340 0.021 0.000 0.271 176 R C 0.409 176.649 176.300 -0.100 0.000 0.996 176 R CA -1.465 54.384 56.100 -0.418 0.000 0.977 176 R CB 0.864 30.913 30.300 -0.419 0.000 1.168 176 R HN 0.006 nan 8.270 nan 0.000 0.482 177 I N 2.210 122.792 120.570 0.019 0.000 2.710 177 I HA -0.017 4.166 4.170 0.021 0.000 0.286 177 I C 0.558 176.775 176.117 0.167 0.000 1.181 177 I CA 0.543 61.863 61.300 0.033 0.000 1.430 177 I CB 0.285 38.146 38.000 -0.232 0.000 1.367 177 I HN 0.244 nan 8.210 nan 0.000 0.577 178 I N 5.560 126.228 120.570 0.163 0.000 2.353 178 I HA 0.104 4.287 4.170 0.021 0.000 0.293 178 I C 0.205 176.078 176.117 -0.406 0.000 0.992 178 I CA -0.337 60.974 61.300 0.019 0.000 1.268 178 I CB 0.979 38.929 38.000 -0.083 0.000 1.387 178 I HN 0.488 nan 8.210 nan 0.000 0.478 179 D N 6.436 126.788 120.400 -0.079 0.000 2.453 179 D HA 0.131 4.784 4.640 0.021 0.000 0.223 179 D C 0.726 176.962 176.300 -0.106 0.000 1.183 179 D CA -0.008 53.842 54.000 -0.251 0.000 0.933 179 D CB 0.323 40.858 40.800 -0.441 0.000 1.038 179 D HN 0.351 nan 8.370 nan 0.000 0.513 180 F N 1.807 121.752 119.950 -0.010 0.000 2.293 180 F HA -0.081 4.458 4.527 0.021 0.000 0.300 180 F C 2.498 178.105 175.800 -0.322 0.000 1.086 180 F CA 0.499 58.465 58.000 -0.057 0.000 1.375 180 F CB -0.028 38.935 39.000 -0.062 0.000 1.045 180 F HN 0.433 nan 8.300 nan 0.000 0.516 181 A N 0.591 123.064 122.820 -0.578 0.000 1.902 181 A HA -0.194 4.138 4.320 0.021 0.000 0.217 181 A C 2.217 179.713 177.584 -0.146 0.000 1.181 181 A CA 1.544 53.279 52.037 -0.503 0.000 0.623 181 A CB -0.527 18.209 19.000 -0.440 0.000 0.818 181 A HN 0.281 nan 8.150 nan 0.000 0.443 182 K N -1.503 118.783 120.400 -0.191 0.000 2.057 182 K HA -0.091 4.242 4.320 0.021 0.000 0.206 182 K C 1.698 178.245 176.600 -0.087 0.000 1.050 182 K CA 1.469 57.629 56.287 -0.211 0.000 0.935 182 K CB -0.358 31.826 32.500 -0.527 0.000 0.715 182 K HN 0.466 nan 8.250 nan 0.000 0.439 183 F N 1.228 121.196 119.950 0.030 0.000 2.126 183 F HA -0.219 4.321 4.527 0.022 0.000 0.299 183 F C 2.646 178.495 175.800 0.082 0.000 1.096 183 F CA 1.393 59.445 58.000 0.087 0.000 1.255 183 F CB -0.206 38.888 39.000 0.158 0.000 0.997 183 F HN -0.048 nan 8.300 nan 0.000 0.479 184 R N 0.856 121.516 120.500 0.267 0.000 2.092 184 R HA -0.155 4.198 4.340 0.021 0.000 0.231 184 R C 2.037 178.417 176.300 0.132 0.000 1.119 184 R CA 1.761 57.984 56.100 0.206 0.000 0.970 184 R CB -0.760 29.679 30.300 0.231 0.000 0.864 184 R HN 0.409 nan 8.270 nan 0.000 0.440 185 E N -0.190 120.058 120.200 0.081 0.000 2.058 185 E HA -0.194 4.168 4.350 0.021 0.000 0.194 185 E C 1.859 178.477 176.600 0.029 0.000 0.997 185 E CA 1.787 58.210 56.400 0.039 0.000 0.801 185 E CB -0.147 29.550 29.700 -0.005 0.000 0.746 185 E HN 0.431 nan 8.360 nan 0.000 0.450 186 I N 0.768 121.347 120.570 0.016 0.000 2.202 186 I HA -0.246 3.936 4.170 0.021 0.000 0.242 186 I C 2.601 178.747 176.117 0.047 0.000 1.091 186 I CA 0.941 62.244 61.300 0.005 0.000 1.368 186 I CB -0.366 37.603 38.000 -0.053 0.000 1.058 186 I HN 0.174 nan 8.210 nan 0.000 0.410 187 A N 0.702 123.582 122.820 0.100 0.000 1.892 187 A HA -0.285 4.048 4.320 0.021 0.000 0.218 187 A C 1.959 179.593 177.584 0.082 0.000 1.188 187 A CA 2.361 54.471 52.037 0.121 0.000 0.631 187 A CB -0.728 18.392 19.000 0.201 0.000 0.822 187 A HN 0.358 nan 8.150 nan 0.000 0.447 188 D N -0.869 119.582 120.400 0.084 0.000 2.144 188 D HA -0.155 4.498 4.640 0.021 0.000 0.199 188 D C 1.887 178.204 176.300 0.028 0.000 0.984 188 D CA 1.468 55.503 54.000 0.058 0.000 0.834 188 D CB -0.355 40.481 40.800 0.060 0.000 0.955 188 D HN 0.758 nan 8.370 nan 0.000 0.465 189 E N 0.327 120.541 120.200 0.024 0.000 2.110 189 E HA -0.138 4.225 4.350 0.021 0.000 0.193 189 E C 1.721 178.324 176.600 0.005 0.000 0.988 189 E CA 1.136 57.542 56.400 0.010 0.000 0.804 189 E CB 0.289 29.991 29.700 0.004 0.000 0.745 189 E HN 0.235 nan 8.360 nan 0.000 0.458 190 V N -3.278 116.641 119.914 0.009 0.000 3.621 190 V HA 0.429 4.561 4.120 0.021 0.000 0.285 190 V C 1.035 177.121 176.094 -0.012 0.000 1.346 190 V CA 0.359 62.661 62.300 0.002 0.000 1.104 190 V CB 0.021 31.851 31.823 0.013 0.000 0.913 190 V HN 0.270 nan 8.190 nan 0.000 0.432 191 G N 0.391 109.179 108.800 -0.021 0.000 2.246 191 G HA2 0.001 3.974 3.960 0.021 0.000 0.273 191 G HA3 0.001 3.974 3.960 0.021 0.000 0.273 191 G C 0.190 175.022 174.900 -0.113 0.000 1.055 191 G CA 0.420 45.482 45.100 -0.063 0.000 0.851 191 G HN 1.672 nan 8.290 nan 0.000 0.500 192 A N -0.638 122.140 122.820 -0.071 0.000 2.325 192 A HA 0.830 5.163 4.320 0.021 0.000 0.333 192 A C 0.030 177.558 177.584 -0.093 0.000 1.155 192 A CA -0.833 51.163 52.037 -0.067 0.000 0.814 192 A CB 0.891 19.911 19.000 0.032 0.000 1.206 192 A HN 0.548 nan 8.150 nan 0.000 0.482 193 Y N 0.096 120.369 120.300 -0.046 0.000 2.457 193 Y HA 0.335 4.898 4.550 0.022 0.000 0.341 193 Y C 0.313 176.321 175.900 0.179 0.000 1.240 193 Y CA 0.459 58.501 58.100 -0.097 0.000 1.437 193 Y CB 0.592 39.004 38.460 -0.081 0.000 1.328 193 Y HN 0.548 nan 8.280 nan 0.000 0.588 194 L N 4.915 126.505 121.223 0.611 0.000 2.325 194 L HA 0.516 4.869 4.340 0.021 0.000 0.281 194 L C -0.823 176.250 176.870 0.339 0.000 1.004 194 L CA -0.841 54.234 54.840 0.393 0.000 0.823 194 L CB 1.178 43.422 42.059 0.310 0.000 1.236 194 L HN 0.731 nan 8.230 nan 0.000 0.415 195 M N 5.763 125.506 119.600 0.237 0.000 2.294 195 M HA 0.625 5.118 4.480 0.021 0.000 0.335 195 M C -1.742 174.575 176.300 0.028 0.000 1.079 195 M CA -0.614 54.791 55.300 0.174 0.000 0.982 195 M CB 1.622 34.315 32.600 0.155 0.000 1.651 195 M HN 0.408 nan 8.290 nan 0.000 0.437 196 V N 4.225 124.115 119.914 -0.041 0.000 2.384 196 V HA 0.282 4.414 4.120 0.021 0.000 0.287 196 V C -0.680 175.352 176.094 -0.104 0.000 1.020 196 V CA -0.589 61.634 62.300 -0.130 0.000 0.850 196 V CB 1.562 33.182 31.823 -0.339 0.000 0.987 196 V HN 0.781 nan 8.190 nan 0.000 0.436 197 D N 5.735 126.099 120.400 -0.059 0.000 2.456 197 D HA 0.253 4.906 4.640 0.021 0.000 0.219 197 D C 0.753 177.059 176.300 0.010 0.000 1.126 197 D CA -0.460 53.537 54.000 -0.005 0.000 0.890 197 D CB 1.165 42.039 40.800 0.124 0.000 1.025 197 D HN 0.608 nan 8.370 nan 0.000 0.511 198 M N 1.707 121.268 119.600 -0.066 0.000 2.530 198 M HA 0.373 4.866 4.480 0.021 0.000 0.231 198 M C 1.416 177.681 176.300 -0.058 0.000 1.180 198 M CA -0.389 54.875 55.300 -0.060 0.000 0.985 198 M CB 0.692 33.203 32.600 -0.148 0.000 1.623 198 M HN 0.129 nan 8.290 nan 0.000 0.475 199 A N 1.139 123.926 122.820 -0.056 0.000 1.896 199 A HA -0.269 4.064 4.320 0.021 0.000 0.220 199 A C 1.814 179.320 177.584 -0.130 0.000 1.206 199 A CA 2.564 54.529 52.037 -0.120 0.000 0.647 199 A CB -1.345 17.567 19.000 -0.146 0.000 0.828 199 A HN 0.736 nan 8.150 nan 0.000 0.455 200 H N -0.437 118.590 119.070 -0.072 0.000 2.387 200 H HA 0.002 4.572 4.556 0.024 0.000 0.299 200 H C 1.757 176.952 175.328 -0.221 0.000 1.090 200 H CA 1.818 57.832 56.048 -0.057 0.000 1.332 200 H CB -0.110 29.742 29.762 0.151 0.000 1.386 200 H HN 0.685 nan 8.280 nan 0.000 0.516 201 I N -3.306 117.250 120.570 -0.023 0.000 3.976 201 I HA 0.400 4.583 4.170 0.021 0.000 0.337 201 I C 1.947 178.050 176.117 -0.023 0.000 1.359 201 I CA 0.299 61.548 61.300 -0.086 0.000 1.098 201 I CB 0.300 38.219 38.000 -0.136 0.000 1.027 201 I HN 0.066 nan 8.210 nan 0.000 0.394 202 A N 2.281 125.094 122.820 -0.012 0.000 1.917 202 A HA -0.099 4.234 4.320 0.021 0.000 0.219 202 A C 2.340 180.096 177.584 0.286 0.000 1.182 202 A CA 2.154 54.245 52.037 0.090 0.000 0.633 202 A CB -1.427 17.575 19.000 0.004 0.000 0.819 202 A HN 0.546 nan 8.150 nan 0.000 0.448 203 G N -0.326 108.614 108.800 0.234 0.000 2.408 203 G HA2 -0.108 3.864 3.960 0.021 0.000 0.217 203 G HA3 -0.108 3.864 3.960 0.021 0.000 0.217 203 G C 1.532 176.632 174.900 0.333 0.000 1.150 203 G CA 0.978 46.323 45.100 0.409 0.000 0.776 203 G HN 0.457 nan 8.290 nan 0.000 0.542 204 L N 0.283 121.608 121.223 0.169 0.000 2.056 204 L HA -0.064 4.289 4.340 0.021 0.000 0.207 204 L C 2.949 179.950 176.870 0.218 0.000 1.078 204 L CA 0.398 55.325 54.840 0.146 0.000 0.749 204 L CB -0.768 41.364 42.059 0.122 0.000 0.901 204 L HN 0.056 nan 8.230 nan 0.000 0.433 205 V N 0.629 120.700 119.914 0.261 0.000 2.287 205 V HA -0.324 3.808 4.120 0.021 0.000 0.248 205 V C 2.860 179.110 176.094 0.260 0.000 1.053 205 V CA 1.970 64.461 62.300 0.318 0.000 1.027 205 V CB -0.952 31.088 31.823 0.362 0.000 0.646 205 V HN 0.498 nan 8.190 nan 0.000 0.447 206 A N -0.261 122.697 122.820 0.231 0.000 1.978 206 A HA -0.079 4.254 4.320 0.021 0.000 0.220 206 A C 2.170 179.789 177.584 0.059 0.000 1.170 206 A CA 2.006 53.995 52.037 -0.079 0.000 0.636 206 A CB -0.541 18.331 19.000 -0.213 0.000 0.810 206 A HN 0.640 nan 8.150 nan 0.000 0.448 207 A N -1.965 120.966 122.820 0.185 0.000 2.275 207 A HA 0.440 4.773 4.320 0.021 0.000 0.212 207 A C 1.667 179.314 177.584 0.104 0.000 1.201 207 A CA 1.054 53.188 52.037 0.160 0.000 0.843 207 A CB -0.857 18.226 19.000 0.138 0.000 0.873 207 A HN 1.878 nan 8.150 nan 0.000 0.492 208 G N -0.766 108.103 108.800 0.115 0.000 2.160 208 G HA2 -0.240 3.732 3.960 0.021 0.000 0.251 208 G HA3 -0.240 3.732 3.960 0.021 0.000 0.251 208 G C 0.524 175.489 174.900 0.108 0.000 1.008 208 G CA 0.557 45.722 45.100 0.107 0.000 0.724 208 G HN 0.556 nan 8.290 nan 0.000 0.514 209 L N -0.510 120.791 121.223 0.129 0.000 2.693 209 L HA 0.377 4.729 4.340 0.021 0.000 0.235 209 L C 0.885 177.859 176.870 0.173 0.000 1.127 209 L CA -0.206 54.701 54.840 0.113 0.000 0.914 209 L CB 0.266 42.370 42.059 0.076 0.000 1.193 209 L HN 0.403 nan 8.230 nan 0.000 0.502 210 H N 0.619 119.764 119.070 0.124 0.000 2.806 210 H HA 0.370 4.939 4.556 0.022 0.000 0.367 210 H C -2.718 172.731 175.328 0.203 0.000 1.136 210 H CA -1.802 54.338 56.048 0.154 0.000 1.178 210 H CB 2.824 32.699 29.762 0.187 0.000 1.718 210 H HN -0.248 nan 8.280 nan 0.000 0.540 211 P HA -0.052 nan 4.420 nan 0.000 0.265 211 P C -0.190 177.474 177.300 0.607 0.000 1.187 211 P CA 0.113 63.403 63.100 0.317 0.000 0.766 211 P CB 0.503 32.314 31.700 0.184 0.000 0.820 212 N N 3.886 122.852 118.700 0.443 0.000 2.430 212 N HA 0.094 4.847 4.740 0.021 0.000 0.265 212 N C -1.515 174.170 175.510 0.292 0.000 1.100 212 N CA -2.204 51.050 53.050 0.339 0.000 0.961 212 N CB 0.438 39.064 38.487 0.232 0.000 1.075 212 N HN 0.220 nan 8.380 nan 0.000 0.478 213 P HA -0.057 nan 4.420 nan 0.000 0.229 213 P C 1.356 178.571 177.300 -0.142 0.000 1.160 213 P CA 0.349 63.159 63.100 -0.483 0.000 0.777 213 P CB 0.519 31.495 31.700 -1.207 0.000 0.814 214 V N 2.005 121.863 119.914 -0.092 0.000 2.282 214 V HA -0.177 3.956 4.120 0.021 0.000 0.249 214 V C -0.239 175.788 176.094 -0.111 0.000 1.057 214 V CA 2.710 64.960 62.300 -0.084 0.000 1.032 214 V CB -2.517 29.290 31.823 -0.026 0.000 0.645 214 V HN 0.208 nan 8.190 nan 0.000 0.447 215 P HA -0.101 nan 4.420 nan 0.000 0.222 215 P C 0.893 177.939 177.300 -0.423 0.000 1.147 215 P CA 1.427 64.317 63.100 -0.349 0.000 0.790 215 P CB -0.070 31.301 31.700 -0.548 0.000 0.780 216 Y N -1.233 119.039 120.300 -0.047 0.000 2.507 216 Y HA 0.431 4.993 4.550 0.021 0.000 0.263 216 Y C 1.345 177.176 175.900 -0.116 0.000 1.093 216 Y CA -0.326 57.752 58.100 -0.036 0.000 1.285 216 Y CB -0.332 38.177 38.460 0.081 0.000 1.115 216 Y HN -0.198 nan 8.280 nan 0.000 0.533 217 A N -0.585 122.219 122.820 -0.027 0.000 2.312 217 A HA 0.399 4.732 4.320 0.021 0.000 0.328 217 A C -0.097 177.362 177.584 -0.208 0.000 1.158 217 A CA -0.441 51.542 52.037 -0.090 0.000 0.821 217 A CB 0.339 19.290 19.000 -0.082 0.000 1.170 217 A HN 0.447 nan 8.150 nan 0.000 0.490 218 H N 0.827 119.823 119.070 -0.123 0.000 2.395 218 H HA 0.121 4.690 4.556 0.021 0.000 0.299 218 H C -0.645 174.175 175.328 -0.847 0.000 1.070 218 H CA 2.041 57.819 56.048 -0.451 0.000 1.356 218 H CB -0.032 29.327 29.762 -0.672 0.000 1.401 218 H HN 0.576 nan 8.280 nan 0.000 0.524 219 F N -0.517 119.453 119.950 0.034 0.000 2.556 219 F HA 0.494 5.034 4.527 0.021 0.000 0.314 219 F C -0.857 174.897 175.800 -0.077 0.000 1.106 219 F CA -1.224 56.749 58.000 -0.045 0.000 0.911 219 F CB 1.977 40.907 39.000 -0.116 0.000 1.190 219 F HN -0.343 nan 8.300 nan 0.000 0.448 220 V N 1.618 121.571 119.914 0.066 0.000 2.483 220 V HA 0.578 4.711 4.120 0.021 0.000 0.297 220 V C -0.288 175.761 176.094 -0.075 0.000 1.027 220 V CA -0.726 61.533 62.300 -0.067 0.000 0.855 220 V CB 1.964 33.679 31.823 -0.179 0.000 0.995 220 V HN 0.893 nan 8.190 nan 0.000 0.424 221 T N 0.787 115.289 114.554 -0.087 0.000 2.945 221 T HA 0.837 5.200 4.350 0.021 0.000 0.286 221 T C -0.317 174.306 174.700 -0.128 0.000 1.025 221 T CA -0.667 61.378 62.100 -0.093 0.000 1.039 221 T CB 2.129 70.952 68.868 -0.075 0.000 1.068 221 T HN 0.724 nan 8.240 nan 0.000 0.497 222 T N 0.568 115.047 114.554 -0.124 0.000 2.830 222 T HA 0.587 4.950 4.350 0.021 0.000 0.322 222 T C -0.644 173.987 174.700 -0.114 0.000 1.501 222 T CA -0.433 61.581 62.100 -0.144 0.000 1.036 222 T CB 1.414 70.150 68.868 -0.220 0.000 1.379 222 T HN 1.179 nan 8.240 nan 0.000 0.493 223 T N 0.004 114.456 114.554 -0.171 0.000 2.918 223 T HA 0.453 4.816 4.350 0.021 0.000 0.283 223 T C 1.437 176.043 174.700 -0.156 0.000 1.001 223 T CA 0.141 62.108 62.100 -0.222 0.000 1.041 223 T CB 1.043 69.542 68.868 -0.616 0.000 1.028 223 T HN 0.749 nan 8.240 nan 0.000 0.511 224 T N -2.084 112.454 114.554 -0.027 0.000 3.060 224 T HA 0.016 4.379 4.350 0.021 0.000 0.249 224 T C 1.293 176.035 174.700 0.070 0.000 1.079 224 T CA 0.267 62.428 62.100 0.102 0.000 1.013 224 T CB -0.459 68.511 68.868 0.169 0.000 0.975 224 T HN 0.922 nan 8.240 nan 0.000 0.518 225 H N -0.110 118.961 119.070 0.001 0.000 2.586 225 H HA 0.467 5.036 4.556 0.023 0.000 0.273 225 H C 0.860 176.159 175.328 -0.048 0.000 0.997 225 H CA -0.484 55.550 56.048 -0.023 0.000 1.177 225 H CB 0.318 30.055 29.762 -0.042 0.000 1.471 225 H HN 0.276 nan 8.280 nan 0.000 0.538 226 K N 1.148 121.423 120.400 -0.208 0.000 3.502 226 K HA 0.053 4.386 4.320 0.021 0.000 0.163 226 K C 1.990 178.551 176.600 -0.065 0.000 1.142 226 K CA 0.783 56.956 56.287 -0.190 0.000 1.539 226 K CB -0.239 32.025 32.500 -0.394 0.000 2.125 226 K HN 0.146 nan 8.250 nan 0.000 0.491 227 T N 0.342 114.834 114.554 -0.102 0.000 3.007 227 T HA -0.088 4.275 4.350 0.021 0.000 0.270 227 T C 1.779 176.636 174.700 0.262 0.000 1.107 227 T CA 0.738 62.850 62.100 0.021 0.000 1.118 227 T CB -0.094 68.686 68.868 -0.147 0.000 0.889 227 T HN 0.082 nan 8.240 nan 0.000 0.506 228 L N 1.112 122.454 121.223 0.198 0.000 2.376 228 L HA 0.344 4.697 4.340 0.021 0.000 0.219 228 L C 1.614 178.627 176.870 0.239 0.000 1.133 228 L CA 0.924 55.921 54.840 0.262 0.000 0.816 228 L CB -1.147 41.026 42.059 0.189 0.000 0.933 228 L HN 0.429 nan 8.230 nan 0.000 0.449 229 R N -1.121 119.502 120.500 0.205 0.000 3.531 229 R HA -0.157 4.196 4.340 0.021 0.000 0.280 229 R C 0.486 176.841 176.300 0.092 0.000 1.130 229 R CA 0.440 56.636 56.100 0.160 0.000 0.757 229 R CB -1.711 28.725 30.300 0.227 0.000 1.218 229 R HN 0.558 nan 8.270 nan 0.000 0.454 230 G N 0.031 108.883 108.800 0.086 0.000 2.753 230 G HA2 0.683 4.655 3.960 0.021 0.000 0.285 230 G HA3 0.683 4.655 3.960 0.021 0.000 0.285 230 G C -2.579 172.348 174.900 0.044 0.000 1.344 230 G CA -0.970 44.152 45.100 0.036 0.000 1.050 230 G HN 0.117 nan 8.290 nan 0.000 0.532 231 P HA 0.177 nan 4.420 nan 0.000 0.274 231 P C -0.560 176.760 177.300 0.033 0.000 1.256 231 P CA -0.517 62.574 63.100 -0.015 0.000 0.795 231 P CB 1.022 32.679 31.700 -0.071 0.000 1.038 232 R N 0.295 120.754 120.500 -0.068 0.000 2.351 232 R HA 0.490 4.843 4.340 0.021 0.000 0.318 232 R C 0.370 176.647 176.300 -0.038 0.000 1.055 232 R CA 0.687 56.654 56.100 -0.222 0.000 0.968 232 R CB -0.633 29.430 30.300 -0.395 0.000 0.974 232 R HN 0.849 nan 8.270 nan 0.000 0.439 233 G N 1.357 110.269 108.800 0.186 0.000 2.320 233 G HA2 0.403 4.376 3.960 0.021 0.000 0.296 233 G HA3 0.403 4.376 3.960 0.021 0.000 0.296 233 G C -1.293 173.707 174.900 0.167 0.000 1.306 233 G CA -0.412 44.766 45.100 0.130 0.000 0.836 233 G HN 0.776 nan 8.290 nan 0.000 0.517 234 G N -1.390 107.466 108.800 0.093 0.000 2.685 234 G HA2 0.834 4.807 3.960 0.021 0.000 0.298 234 G HA3 0.834 4.807 3.960 0.021 0.000 0.298 234 G C -0.817 174.114 174.900 0.053 0.000 1.277 234 G CA -0.376 44.758 45.100 0.056 0.000 0.986 234 G HN 1.220 nan 8.290 nan 0.000 0.487 235 M N -0.217 119.397 119.600 0.023 0.000 2.471 235 M HA 0.605 5.097 4.480 0.021 0.000 0.284 235 M C -2.137 174.148 176.300 -0.024 0.000 1.203 235 M CA -0.630 54.684 55.300 0.025 0.000 0.915 235 M CB 2.166 34.804 32.600 0.062 0.000 1.734 235 M HN 0.401 nan 8.290 nan 0.000 0.485 236 I N 4.536 125.101 120.570 -0.007 0.000 2.465 236 I HA 0.499 4.681 4.170 0.021 0.000 0.291 236 I C -1.271 174.846 176.117 -0.001 0.000 1.014 236 I CA -0.727 60.572 61.300 -0.000 0.000 1.093 236 I CB 1.997 40.025 38.000 0.047 0.000 1.267 236 I HN 0.596 nan 8.210 nan 0.000 0.431 237 L N 6.083 127.297 121.223 -0.016 0.000 2.334 237 L HA 0.807 5.160 4.340 0.021 0.000 0.276 237 L C -0.529 176.393 176.870 0.088 0.000 1.014 237 L CA -0.629 54.209 54.840 -0.004 0.000 0.815 237 L CB 1.882 43.881 42.059 -0.099 0.000 1.268 237 L HN 0.798 nan 8.230 nan 0.000 0.428 238 C N -0.277 119.109 119.300 0.143 0.000 3.311 238 C HA 0.436 4.909 4.460 0.021 0.000 0.325 238 C C -0.652 174.434 174.990 0.161 0.000 1.352 238 C CA -1.104 58.016 59.018 0.169 0.000 1.308 238 C CB 1.553 29.487 27.740 0.323 0.000 1.619 238 C HN 0.899 nan 8.230 nan 0.000 0.469 239 Q N 0.809 120.701 119.800 0.154 0.000 2.395 239 Q HA 0.121 4.474 4.340 0.021 0.000 0.271 239 Q C 0.895 176.909 176.000 0.024 0.000 1.026 239 Q CA 0.258 56.105 55.803 0.073 0.000 0.900 239 Q CB 0.937 29.697 28.738 0.036 0.000 1.266 239 Q HN 0.812 nan 8.270 nan 0.000 0.430 240 E N 2.035 122.211 120.200 -0.039 0.000 2.171 240 E HA -0.289 4.074 4.350 0.021 0.000 0.197 240 E C 1.769 178.263 176.600 -0.176 0.000 0.997 240 E CA 2.109 58.461 56.400 -0.081 0.000 0.810 240 E CB 0.029 29.691 29.700 -0.064 0.000 0.738 240 E HN 0.695 nan 8.360 nan 0.000 0.467 241 Q N -1.258 118.358 119.800 -0.307 0.000 2.364 241 Q HA -0.143 4.209 4.340 0.021 0.000 0.209 241 Q C 0.993 176.689 176.000 -0.506 0.000 0.977 241 Q CA 1.434 56.957 55.803 -0.466 0.000 0.885 241 Q CB -0.305 28.046 28.738 -0.645 0.000 0.941 241 Q HN 0.335 nan 8.270 nan 0.000 0.464 242 F N -0.191 119.752 119.950 -0.012 0.000 2.678 242 F HA 0.499 5.039 4.527 0.021 0.000 0.305 242 F C 2.102 177.896 175.800 -0.011 0.000 1.090 242 F CA -0.229 57.802 58.000 0.051 0.000 1.272 242 F CB -0.089 39.013 39.000 0.168 0.000 1.060 242 F HN 0.136 nan 8.300 nan 0.000 0.576 243 A N 0.875 123.658 122.820 -0.062 0.000 1.873 243 A HA -0.283 4.049 4.320 0.021 0.000 0.218 243 A C 2.356 179.749 177.584 -0.320 0.000 1.193 243 A CA 2.223 53.976 52.037 -0.473 0.000 0.629 243 A CB -0.677 17.797 19.000 -0.876 0.000 0.826 243 A HN 0.339 nan 8.150 nan 0.000 0.447 244 K N -0.718 119.576 120.400 -0.177 0.000 2.026 244 K HA -0.219 4.113 4.320 0.021 0.000 0.208 244 K C 2.321 178.919 176.600 -0.004 0.000 1.048 244 K CA 1.812 58.045 56.287 -0.091 0.000 0.929 244 K CB -0.229 32.242 32.500 -0.048 0.000 0.713 244 K HN 0.648 nan 8.250 nan 0.000 0.439 245 Q N 0.150 119.985 119.800 0.057 0.000 2.084 245 Q HA -0.135 4.218 4.340 0.021 0.000 0.202 245 Q C 2.137 178.203 176.000 0.111 0.000 0.978 245 Q CA 1.247 57.110 55.803 0.100 0.000 0.844 245 Q CB -0.007 28.821 28.738 0.150 0.000 0.898 245 Q HN 0.325 nan 8.270 nan 0.000 0.426 246 I N 1.319 121.969 120.570 0.132 0.000 2.179 246 I HA -0.249 3.934 4.170 0.021 0.000 0.242 246 I C 1.581 177.781 176.117 0.138 0.000 1.088 246 I CA 1.435 62.819 61.300 0.139 0.000 1.357 246 I CB -0.969 37.162 38.000 0.218 0.000 1.051 246 I HN 0.223 nan 8.210 nan 0.000 0.409 247 D N 0.931 121.378 120.400 0.077 0.000 2.123 247 D HA -0.171 4.482 4.640 0.021 0.000 0.196 247 D C 2.166 178.609 176.300 0.239 0.000 0.992 247 D CA 1.059 55.071 54.000 0.020 0.000 0.833 247 D CB -0.133 40.411 40.800 -0.427 0.000 0.954 247 D HN 0.193 nan 8.370 nan 0.000 0.455 248 K N 0.575 121.081 120.400 0.176 0.000 2.148 248 K HA 0.032 4.365 4.320 0.021 0.000 0.204 248 K C 1.991 178.714 176.600 0.205 0.000 1.050 248 K CA 0.698 57.107 56.287 0.203 0.000 0.942 248 K CB -0.251 32.334 32.500 0.140 0.000 0.724 248 K HN 0.071 nan 8.250 nan 0.000 0.446 249 A N 1.619 124.570 122.820 0.217 0.000 1.902 249 A HA -0.137 4.196 4.320 0.021 0.000 0.217 249 A C 2.141 179.800 177.584 0.125 0.000 1.181 249 A CA 1.099 53.297 52.037 0.269 0.000 0.623 249 A CB -0.323 18.830 19.000 0.255 0.000 0.818 249 A HN 0.088 nan 8.150 nan 0.000 0.443 250 I N -2.705 117.966 120.570 0.167 0.000 2.202 250 I HA 0.032 4.214 4.170 0.021 0.000 0.242 250 I C 0.528 176.772 176.117 0.212 0.000 1.091 250 I CA 1.294 62.684 61.300 0.149 0.000 1.368 250 I CB -0.540 37.588 38.000 0.213 0.000 1.058 250 I HN 0.342 nan 8.210 nan 0.000 0.410 251 F N 2.290 122.339 119.950 0.165 0.000 2.588 251 F HA 0.398 4.940 4.527 0.024 0.000 0.318 251 F C -2.227 173.696 175.800 0.204 0.000 1.155 251 F CA -1.775 56.303 58.000 0.130 0.000 0.967 251 F CB 1.988 41.030 39.000 0.070 0.000 1.236 251 F HN -0.246 nan 8.300 nan 0.000 0.455 252 P HA 0.164 nan 4.420 nan 0.000 0.255 252 P C 1.023 178.080 177.300 -0.405 0.000 1.301 252 P CA 0.578 63.038 63.100 -1.066 0.000 0.817 252 P CB 0.314 31.466 31.700 -0.914 0.000 1.259 253 G N 2.267 110.960 108.800 -0.178 0.000 2.524 253 G HA2 -0.205 3.768 3.960 0.021 0.000 0.215 253 G HA3 -0.205 3.768 3.960 0.021 0.000 0.215 253 G C 1.300 175.920 174.900 -0.466 0.000 1.239 253 G CA 1.198 46.168 45.100 -0.216 0.000 0.798 253 G HN 0.448 nan 8.290 nan 0.000 0.557 254 I N -3.721 116.640 120.570 -0.349 0.000 4.403 254 I HA 0.440 4.623 4.170 0.021 0.000 0.331 254 I C 0.542 176.576 176.117 -0.138 0.000 1.327 254 I CA -0.226 60.872 61.300 -0.336 0.000 1.175 254 I CB 0.568 38.333 38.000 -0.392 0.000 1.165 254 I HN 0.054 nan 8.210 nan 0.000 0.413 255 Q N 0.929 120.711 119.800 -0.031 0.000 2.552 255 Q HA 0.656 5.009 4.340 0.021 0.000 0.289 255 Q C -0.076 176.089 176.000 0.276 0.000 1.097 255 Q CA -0.458 55.393 55.803 0.080 0.000 0.812 255 Q CB 2.404 31.104 28.738 -0.063 0.000 1.460 255 Q HN 0.262 nan 8.270 nan 0.000 0.452 256 G N -0.414 108.577 108.800 0.318 0.000 3.345 256 G HA2 0.450 4.423 3.960 0.021 0.000 0.202 256 G HA3 0.450 4.423 3.960 0.021 0.000 0.202 256 G C -0.227 174.810 174.900 0.229 0.000 1.740 256 G CA -0.134 45.221 45.100 0.426 0.000 0.806 256 G HN 0.581 nan 8.290 nan 0.000 0.718 257 G N 1.983 110.935 108.800 0.253 0.000 2.340 257 G HA2 0.476 4.449 3.960 0.021 0.000 0.245 257 G HA3 0.476 4.449 3.960 0.021 0.000 0.245 257 G C -2.044 172.856 174.900 -0.000 0.000 1.294 257 G CA -0.303 44.827 45.100 0.050 0.000 0.896 257 G HN 0.375 nan 8.290 nan 0.000 0.522 258 P HA 0.170 nan 4.420 nan 0.000 0.274 258 P C -0.111 177.172 177.300 -0.028 0.000 1.246 258 P CA -0.476 62.612 63.100 -0.020 0.000 0.795 258 P CB 1.258 32.887 31.700 -0.117 0.000 1.006 259 L N 2.452 123.674 121.223 -0.000 0.000 2.375 259 L HA 0.138 4.491 4.340 0.021 0.000 0.276 259 L C 1.814 178.575 176.870 -0.180 0.000 1.162 259 L CA -0.517 54.245 54.840 -0.130 0.000 0.991 259 L CB -0.081 41.822 42.059 -0.260 0.000 1.315 259 L HN 0.232 nan 8.230 nan 0.000 0.431 260 M N 1.340 120.921 119.600 -0.032 0.000 2.159 260 M HA -0.162 4.331 4.480 0.021 0.000 0.263 260 M C 2.412 178.708 176.300 -0.005 0.000 1.063 260 M CA 1.586 56.874 55.300 -0.019 0.000 1.110 260 M CB -1.108 31.489 32.600 -0.005 0.000 1.374 260 M HN 0.639 nan 8.290 nan 0.000 0.411 261 H N -0.694 118.330 119.070 -0.077 0.000 2.387 261 H HA 0.005 4.564 4.556 0.004 0.000 0.299 261 H C 2.095 177.381 175.328 -0.069 0.000 1.090 261 H CA 1.556 57.562 56.048 -0.070 0.000 1.332 261 H CB -1.462 28.257 29.762 -0.072 0.000 1.386 261 H HN 0.255 nan 8.280 nan 0.000 0.516 262 V N 1.668 121.260 119.914 -0.536 0.000 2.427 262 V HA -0.175 3.958 4.120 0.021 0.000 0.248 262 V C 2.999 178.968 176.094 -0.209 0.000 1.051 262 V CA 1.456 63.553 62.300 -0.339 0.000 1.048 262 V CB -0.564 31.043 31.823 -0.361 0.000 0.666 262 V HN 0.250 nan 8.190 nan 0.000 0.456 263 I N 0.630 121.093 120.570 -0.179 0.000 2.226 263 I HA -0.248 3.935 4.170 0.021 0.000 0.245 263 I C 2.711 178.744 176.117 -0.139 0.000 1.100 263 I CA 1.417 62.638 61.300 -0.133 0.000 1.374 263 I CB -0.603 37.348 38.000 -0.080 0.000 1.057 263 I HN 0.296 nan 8.210 nan 0.000 0.413 264 A N 0.937 123.696 122.820 -0.101 0.000 1.892 264 A HA -0.254 4.078 4.320 0.021 0.000 0.218 264 A C 2.558 180.066 177.584 -0.127 0.000 1.188 264 A CA 2.189 54.175 52.037 -0.084 0.000 0.631 264 A CB -0.948 18.030 19.000 -0.036 0.000 0.822 264 A HN 0.448 nan 8.150 nan 0.000 0.447 265 A N -0.463 122.276 122.820 -0.134 0.000 1.933 265 A HA -0.170 4.162 4.320 0.021 0.000 0.218 265 A C 2.098 179.529 177.584 -0.256 0.000 1.175 265 A CA 1.853 53.800 52.037 -0.149 0.000 0.628 265 A CB -0.442 18.489 19.000 -0.116 0.000 0.814 265 A HN 0.579 nan 8.150 nan 0.000 0.444 266 K N -0.280 119.911 120.400 -0.348 0.000 2.032 266 K HA -0.125 4.207 4.320 0.021 0.000 0.209 266 K C 2.360 178.353 176.600 -1.013 0.000 1.048 266 K CA 1.250 57.112 56.287 -0.708 0.000 0.927 266 K CB -0.399 31.736 32.500 -0.608 0.000 0.712 266 K HN 0.441 nan 8.250 nan 0.000 0.441 267 A N 1.157 123.656 122.820 -0.536 0.000 1.883 267 A HA -0.166 4.167 4.320 0.021 0.000 0.217 267 A C 2.420 179.880 177.584 -0.206 0.000 1.186 267 A CA 1.778 53.641 52.037 -0.289 0.000 0.624 267 A CB -0.849 18.084 19.000 -0.112 0.000 0.822 267 A HN 0.092 nan 8.150 nan 0.000 0.444 268 V N -0.175 119.626 119.914 -0.189 0.000 2.287 268 V HA -0.281 3.852 4.120 0.021 0.000 0.248 268 V C 3.067 179.091 176.094 -0.117 0.000 1.053 268 V CA 2.116 64.346 62.300 -0.116 0.000 1.027 268 V CB -1.362 30.406 31.823 -0.092 0.000 0.646 268 V HN 0.641 nan 8.190 nan 0.000 0.447 269 A N -0.516 122.191 122.820 -0.189 0.000 1.902 269 A HA -0.177 4.156 4.320 0.021 0.000 0.217 269 A C 2.149 179.723 177.584 -0.016 0.000 1.181 269 A CA 1.846 53.807 52.037 -0.127 0.000 0.623 269 A CB -0.757 18.156 19.000 -0.146 0.000 0.818 269 A HN 0.548 nan 8.150 nan 0.000 0.443 270 F N 0.013 119.896 119.950 -0.112 0.000 2.134 270 F HA -0.120 4.427 4.527 0.033 0.000 0.299 270 F C 2.742 178.449 175.800 -0.156 0.000 1.097 270 F CA 0.262 58.177 58.000 -0.142 0.000 1.264 270 F CB -0.597 38.356 39.000 -0.078 0.000 1.001 270 F HN 0.373 nan 8.300 nan 0.000 0.479 271 G N 0.343 109.183 108.800 0.067 0.000 2.446 271 G HA2 -0.253 3.719 3.960 0.021 0.000 0.217 271 G HA3 -0.253 3.719 3.960 0.021 0.000 0.217 271 G C 1.365 176.250 174.900 -0.024 0.000 1.168 271 G CA 0.960 46.066 45.100 0.010 0.000 0.771 271 G HN 0.347 nan 8.290 nan 0.000 0.551 272 E N 0.550 120.723 120.200 -0.044 0.000 2.085 272 E HA -0.072 4.291 4.350 0.021 0.000 0.194 272 E C 2.892 179.418 176.600 -0.124 0.000 0.994 272 E CA 0.833 57.205 56.400 -0.046 0.000 0.801 272 E CB -0.216 29.464 29.700 -0.033 0.000 0.743 272 E HN 0.424 nan 8.360 nan 0.000 0.453 273 A N 0.927 123.533 122.820 -0.356 0.000 2.015 273 A HA -0.103 4.229 4.320 0.021 0.000 0.219 273 A C 2.088 179.502 177.584 -0.283 0.000 1.163 273 A CA 0.817 52.384 52.037 -0.782 0.000 0.646 273 A CB -0.419 18.028 19.000 -0.922 0.000 0.806 273 A HN 0.138 nan 8.150 nan 0.000 0.448 274 L N -0.496 120.639 121.223 -0.146 0.000 2.376 274 L HA -0.071 4.282 4.340 0.021 0.000 0.219 274 L C 0.932 177.804 176.870 0.004 0.000 1.133 274 L CA 0.203 55.002 54.840 -0.070 0.000 0.816 274 L CB -0.272 41.753 42.059 -0.057 0.000 0.933 274 L HN 0.486 nan 8.230 nan 0.000 0.449 275 Q N -0.135 119.690 119.800 0.041 0.000 2.340 275 Q HA -0.018 4.335 4.340 0.021 0.000 0.249 275 Q C 0.430 176.504 176.000 0.123 0.000 0.957 275 Q CA -0.577 55.272 55.803 0.076 0.000 0.882 275 Q CB 0.978 29.766 28.738 0.083 0.000 1.235 275 Q HN 0.031 nan 8.270 nan 0.000 0.439 276 D N 1.596 122.051 120.400 0.092 0.000 2.158 276 D HA -0.194 4.458 4.640 0.021 0.000 0.197 276 D C 1.300 177.670 176.300 0.118 0.000 0.995 276 D CA 1.617 55.672 54.000 0.093 0.000 0.846 276 D CB -0.110 40.728 40.800 0.062 0.000 0.941 276 D HN 0.660 nan 8.370 nan 0.000 0.456 277 D N -0.138 120.336 120.400 0.123 0.000 2.219 277 D HA -0.184 4.469 4.640 0.021 0.000 0.205 277 D C 1.960 178.370 176.300 0.184 0.000 0.970 277 D CA 0.296 54.372 54.000 0.127 0.000 0.851 277 D CB -0.970 39.891 40.800 0.101 0.000 0.943 277 D HN 0.271 nan 8.370 nan 0.000 0.488 278 F N 1.237 121.246 119.950 0.098 0.000 2.186 278 F HA -0.025 4.514 4.527 0.020 0.000 0.299 278 F C 2.004 177.914 175.800 0.184 0.000 1.090 278 F CA 1.154 59.251 58.000 0.161 0.000 1.307 278 F CB 0.059 39.126 39.000 0.112 0.000 1.019 278 F HN -0.231 nan 8.300 nan 0.000 0.489 279 K N 0.600 121.120 120.400 0.200 0.000 2.057 279 K HA -0.092 4.240 4.320 0.021 0.000 0.207 279 K C 2.276 178.869 176.600 -0.012 0.000 1.049 279 K CA 1.377 57.712 56.287 0.079 0.000 0.931 279 K CB -0.896 31.666 32.500 0.105 0.000 0.714 279 K HN 0.321 nan 8.250 nan 0.000 0.440 280 A N 0.070 122.906 122.820 0.026 0.000 1.902 280 A HA -0.207 4.126 4.320 0.021 0.000 0.217 280 A C 2.151 179.725 177.584 -0.017 0.000 1.181 280 A CA 1.587 53.633 52.037 0.015 0.000 0.623 280 A CB -0.890 18.139 19.000 0.048 0.000 0.818 280 A HN 0.452 nan 8.150 nan 0.000 0.443 281 Y N 0.846 121.060 120.300 -0.144 0.000 2.097 281 Y HA -0.154 4.412 4.550 0.026 0.000 0.282 281 Y C 2.575 178.325 175.900 -0.251 0.000 1.152 281 Y CA 1.522 59.503 58.100 -0.198 0.000 1.136 281 Y CB -0.793 37.504 38.460 -0.272 0.000 0.975 281 Y HN 0.282 nan 8.280 nan 0.000 0.498 282 A N 0.555 122.956 122.820 -0.699 0.000 1.933 282 A HA -0.222 4.111 4.320 0.021 0.000 0.218 282 A C 2.359 179.727 177.584 -0.361 0.000 1.175 282 A CA 1.941 53.574 52.037 -0.674 0.000 0.628 282 A CB -0.840 17.890 19.000 -0.450 0.000 0.814 282 A HN 0.579 nan 8.150 nan 0.000 0.444 283 K N -0.443 119.826 120.400 -0.218 0.000 2.057 283 K HA -0.128 4.204 4.320 0.021 0.000 0.207 283 K C 2.260 178.788 176.600 -0.120 0.000 1.049 283 K CA 1.230 57.447 56.287 -0.117 0.000 0.931 283 K CB -0.169 32.297 32.500 -0.058 0.000 0.714 283 K HN 0.439 nan 8.250 nan 0.000 0.440 284 R N 0.192 120.604 120.500 -0.147 0.000 2.096 284 R HA -0.094 4.258 4.340 0.021 0.000 0.235 284 R C 2.277 178.496 176.300 -0.135 0.000 1.127 284 R CA 1.275 57.314 56.100 -0.101 0.000 0.968 284 R CB -0.350 29.922 30.300 -0.047 0.000 0.861 284 R HN 0.065 nan 8.270 nan 0.000 0.440 285 V N 0.616 120.358 119.914 -0.286 0.000 2.255 285 V HA -0.253 3.880 4.120 0.021 0.000 0.247 285 V C 2.384 178.424 176.094 -0.090 0.000 1.051 285 V CA 1.849 64.010 62.300 -0.232 0.000 1.018 285 V CB -0.396 31.190 31.823 -0.395 0.000 0.641 285 V HN 0.122 nan 8.190 nan 0.000 0.445 286 V N 0.050 119.913 119.914 -0.085 0.000 2.307 286 V HA -0.234 3.898 4.120 0.021 0.000 0.245 286 V C 2.288 178.373 176.094 -0.015 0.000 1.045 286 V CA 2.139 64.426 62.300 -0.021 0.000 1.024 286 V CB -0.775 31.043 31.823 -0.009 0.000 0.651 286 V HN 0.538 nan 8.190 nan 0.000 0.449 287 D N 0.442 120.827 120.400 -0.025 0.000 2.116 287 D HA -0.165 4.488 4.640 0.021 0.000 0.193 287 D C 2.068 178.369 176.300 0.001 0.000 0.998 287 D CA 1.367 55.361 54.000 -0.010 0.000 0.836 287 D CB -0.463 40.330 40.800 -0.011 0.000 0.951 287 D HN 0.352 nan 8.370 nan 0.000 0.449 288 N N 0.425 119.126 118.700 0.002 0.000 2.120 288 N HA -0.087 4.665 4.740 0.021 0.000 0.188 288 N C 1.698 177.221 175.510 0.021 0.000 1.024 288 N CA 1.272 54.336 53.050 0.024 0.000 0.852 288 N CB -0.414 38.098 38.487 0.042 0.000 1.003 288 N HN 0.149 nan 8.380 nan 0.000 0.424 289 A N 1.335 124.161 122.820 0.010 0.000 1.902 289 A HA -0.140 4.193 4.320 0.021 0.000 0.217 289 A C 2.139 179.723 177.584 -0.001 0.000 1.181 289 A CA 1.412 53.450 52.037 0.002 0.000 0.623 289 A CB -0.373 18.626 19.000 -0.002 0.000 0.818 289 A HN 0.251 nan 8.150 nan 0.000 0.443 290 K N -1.002 119.399 120.400 0.001 0.000 2.057 290 K HA -0.170 4.163 4.320 0.021 0.000 0.207 290 K C 2.355 178.960 176.600 0.008 0.000 1.049 290 K CA 1.577 57.865 56.287 0.002 0.000 0.931 290 K CB -0.147 32.354 32.500 0.002 0.000 0.714 290 K HN 0.322 nan 8.250 nan 0.000 0.440 291 R N 1.375 121.883 120.500 0.012 0.000 2.081 291 R HA -0.105 4.248 4.340 0.021 0.000 0.235 291 R C 2.064 178.377 176.300 0.022 0.000 1.131 291 R CA 1.095 57.206 56.100 0.018 0.000 0.960 291 R CB -0.722 29.590 30.300 0.020 0.000 0.856 291 R HN 0.116 nan 8.270 nan 0.000 0.436 292 L N 0.294 121.530 121.223 0.023 0.000 2.046 292 L HA 0.037 4.390 4.340 0.021 0.000 0.208 292 L C 2.092 178.973 176.870 0.017 0.000 1.077 292 L CA 2.192 57.045 54.840 0.023 0.000 0.747 292 L CB -1.115 40.955 42.059 0.019 0.000 0.896 292 L HN 0.279 nan 8.230 nan 0.000 0.432 293 A N -1.383 121.442 122.820 0.009 0.000 1.865 293 A HA -0.232 4.101 4.320 0.021 0.000 0.217 293 A C 2.399 180.002 177.584 0.031 0.000 1.191 293 A CA 2.275 54.319 52.037 0.011 0.000 0.623 293 A CB -1.114 17.886 19.000 -0.000 0.000 0.826 293 A HN 0.528 nan 8.150 nan 0.000 0.444 294 S N -0.243 115.473 115.700 0.027 0.000 2.368 294 S HA -0.033 4.450 4.470 0.021 0.000 0.225 294 S C 2.294 176.921 174.600 0.045 0.000 1.030 294 S CA 1.212 59.431 58.200 0.032 0.000 0.999 294 S CB -0.493 62.720 63.200 0.022 0.000 0.844 294 S HN 0.813 nan 8.310 nan 0.000 0.459 295 A N 1.294 124.141 122.820 0.046 0.000 1.933 295 A HA 0.021 4.354 4.320 0.021 0.000 0.218 295 A C 2.111 179.754 177.584 0.099 0.000 1.175 295 A CA 1.048 53.120 52.037 0.058 0.000 0.628 295 A CB -0.672 18.357 19.000 0.048 0.000 0.814 295 A HN 0.443 nan 8.150 nan 0.000 0.444 296 L N -0.897 120.392 121.223 0.111 0.000 2.046 296 L HA -0.262 4.091 4.340 0.021 0.000 0.208 296 L C 2.903 179.940 176.870 0.278 0.000 1.077 296 L CA 1.637 56.608 54.840 0.217 0.000 0.747 296 L CB -0.545 41.570 42.059 0.094 0.000 0.896 296 L HN 0.479 nan 8.230 nan 0.000 0.432 297 Q N -0.483 119.410 119.800 0.154 0.000 2.084 297 Q HA -0.238 4.114 4.340 0.021 0.000 0.202 297 Q C 2.032 178.073 176.000 0.067 0.000 0.978 297 Q CA 1.630 57.499 55.803 0.110 0.000 0.844 297 Q CB -0.331 28.448 28.738 0.069 0.000 0.898 297 Q HN 0.509 nan 8.270 nan 0.000 0.426 298 N N 0.460 119.197 118.700 0.062 0.000 2.205 298 N HA -0.184 4.569 4.740 0.021 0.000 0.186 298 N C 1.076 176.597 175.510 0.019 0.000 1.015 298 N CA 0.832 53.903 53.050 0.035 0.000 0.862 298 N CB 0.223 38.731 38.487 0.035 0.000 0.986 298 N HN 0.208 nan 8.380 nan 0.000 0.429 299 E N -0.364 119.868 120.200 0.053 0.000 2.511 299 E HA 0.014 4.376 4.350 0.021 0.000 0.196 299 E C 1.103 177.570 176.600 -0.221 0.000 1.066 299 E CA 0.632 57.027 56.400 -0.009 0.000 0.871 299 E CB 0.035 29.828 29.700 0.154 0.000 0.863 299 E HN 0.603 nan 8.360 nan 0.000 0.520 300 G N 0.795 109.496 108.800 -0.166 0.000 2.179 300 G HA2 -0.231 3.741 3.960 0.021 0.000 0.220 300 G HA3 -0.231 3.741 3.960 0.021 0.000 0.220 300 G C -0.026 174.711 174.900 -0.272 0.000 0.990 300 G CA -0.361 44.596 45.100 -0.239 0.000 0.646 300 G HN 0.140 nan 8.290 nan 0.000 0.517 301 F N 1.897 121.852 119.950 0.007 0.000 2.389 301 F HA 0.568 5.108 4.527 0.022 0.000 0.337 301 F C 1.181 176.987 175.800 0.010 0.000 1.112 301 F CA 0.071 58.075 58.000 0.008 0.000 1.192 301 F CB 1.228 40.231 39.000 0.006 0.000 1.185 301 F HN -0.085 nan 8.300 nan 0.000 0.552 302 T N 4.695 119.376 114.554 0.213 0.000 2.806 302 T HA 0.532 4.895 4.350 0.021 0.000 0.290 302 T C -0.158 174.614 174.700 0.120 0.000 0.966 302 T CA -0.514 61.666 62.100 0.133 0.000 1.060 302 T CB 0.361 69.290 68.868 0.102 0.000 0.927 302 T HN 0.274 nan 8.240 nan 0.000 0.485 303 L N 3.002 124.280 121.223 0.091 0.000 2.317 303 L HA 0.489 4.842 4.340 0.021 0.000 0.281 303 L C 0.165 177.078 176.870 0.072 0.000 1.024 303 L CA -1.330 53.544 54.840 0.056 0.000 0.810 303 L CB 1.527 43.609 42.059 0.038 0.000 1.240 303 L HN 0.322 nan 8.230 nan 0.000 0.427 304 V N 2.897 122.824 119.914 0.023 0.000 2.617 304 V HA -0.093 4.040 4.120 0.021 0.000 0.304 304 V C 1.192 177.371 176.094 0.142 0.000 1.040 304 V CA 1.340 63.650 62.300 0.018 0.000 1.149 304 V CB 0.856 32.590 31.823 -0.148 0.000 0.914 304 V HN 1.182 nan 8.190 nan 0.000 0.487 305 S N 2.557 118.506 115.700 0.415 0.000 2.929 305 S HA -0.224 4.259 4.470 0.021 0.000 0.271 305 S C 1.361 176.008 174.600 0.078 0.000 1.295 305 S CA 1.238 59.553 58.200 0.192 0.000 1.277 305 S CB -1.936 61.309 63.200 0.074 0.000 1.557 305 S HN 2.841 nan 8.310 nan 0.000 0.666 306 G N -0.411 108.441 108.800 0.087 0.000 2.148 306 G HA2 0.309 4.282 3.960 0.021 0.000 0.254 306 G HA3 0.309 4.282 3.960 0.021 0.000 0.254 306 G C 1.000 175.914 174.900 0.023 0.000 0.981 306 G CA 0.643 45.771 45.100 0.046 0.000 0.670 306 G HN 2.615 nan 8.290 nan 0.000 0.528 307 G N -2.668 106.138 108.800 0.011 0.000 2.441 307 G HA2 0.658 4.631 3.960 0.021 0.000 0.222 307 G HA3 0.658 4.631 3.960 0.021 0.000 0.222 307 G C -0.576 174.303 174.900 -0.036 0.000 1.254 307 G CA 0.921 46.017 45.100 -0.008 0.000 0.959 307 G HN 1.852 nan 8.290 nan 0.000 0.474 308 T N -0.974 113.556 114.554 -0.041 0.000 2.932 308 T HA 0.559 4.922 4.350 0.021 0.000 0.318 308 T C -1.131 173.545 174.700 -0.040 0.000 1.265 308 T CA 0.081 62.144 62.100 -0.061 0.000 1.036 308 T CB 1.871 70.700 68.868 -0.064 0.000 1.209 308 T HN 0.297 nan 8.240 nan 0.000 0.484 309 D N 1.963 122.339 120.400 -0.040 0.000 2.407 309 D HA 0.187 4.839 4.640 0.021 0.000 0.208 309 D C 0.710 177.042 176.300 0.053 0.000 1.083 309 D CA 0.296 54.295 54.000 -0.003 0.000 0.844 309 D CB 0.506 41.298 40.800 -0.012 0.000 0.967 309 D HN 0.670 nan 8.370 nan 0.000 0.506 310 N N -0.716 118.019 118.700 0.059 0.000 3.567 310 N HA -0.022 4.731 4.740 0.021 0.000 0.347 310 N C 0.965 176.552 175.510 0.129 0.000 1.553 310 N CA -0.329 52.814 53.050 0.156 0.000 0.636 310 N CB -0.229 38.429 38.487 0.285 0.000 2.483 310 N HN -0.149 nan 8.380 nan 0.000 0.608 311 H N -0.954 118.132 119.070 0.026 0.000 2.551 311 H HA 0.328 4.897 4.556 0.022 0.000 0.266 311 H C 0.015 175.352 175.328 0.015 0.000 0.964 311 H CA -0.091 55.963 56.048 0.010 0.000 1.180 311 H CB -0.392 29.384 29.762 0.024 0.000 1.408 311 H HN 0.507 nan 8.280 nan 0.000 0.563 312 L N -0.112 120.820 121.223 -0.485 0.000 2.350 312 L HA 0.687 5.040 4.340 0.021 0.000 0.260 312 L C -1.123 175.613 176.870 -0.223 0.000 1.015 312 L CA -1.623 52.971 54.840 -0.410 0.000 0.821 312 L CB 2.240 43.938 42.059 -0.602 0.000 1.370 312 L HN 0.026 nan 8.230 nan 0.000 0.416 313 L N 0.093 121.220 121.223 -0.160 0.000 2.415 313 L HA 0.903 5.256 4.340 0.021 0.000 0.256 313 L C -1.543 175.264 176.870 -0.106 0.000 1.010 313 L CA -0.820 53.950 54.840 -0.116 0.000 0.826 313 L CB 1.935 43.944 42.059 -0.082 0.000 1.405 313 L HN 0.562 nan 8.230 nan 0.000 0.410 314 L N 1.686 122.856 121.223 -0.090 0.000 2.356 314 L HA 0.703 5.055 4.340 0.021 0.000 0.277 314 L C -0.593 176.235 176.870 -0.069 0.000 0.996 314 L CA -0.472 54.318 54.840 -0.084 0.000 0.822 314 L CB 2.201 44.208 42.059 -0.087 0.000 1.256 314 L HN 0.485 nan 8.230 nan 0.000 0.413 315 V N 1.703 121.570 119.914 -0.078 0.000 2.432 315 V HA 0.218 4.350 4.120 0.021 0.000 0.275 315 V C -0.221 175.858 176.094 -0.025 0.000 1.043 315 V CA -0.541 61.724 62.300 -0.058 0.000 0.925 315 V CB 1.405 33.141 31.823 -0.146 0.000 0.985 315 V HN 0.662 nan 8.190 nan 0.000 0.466 316 D N 4.521 124.930 120.400 0.015 0.000 2.365 316 D HA 0.226 4.878 4.640 0.021 0.000 0.237 316 D C 0.591 176.935 176.300 0.073 0.000 1.190 316 D CA -0.069 53.945 54.000 0.024 0.000 0.867 316 D CB 1.145 41.961 40.800 0.027 0.000 1.050 316 D HN 0.453 nan 8.370 nan 0.000 0.491 317 L N 3.622 124.883 121.223 0.063 0.000 2.591 317 L HA 0.179 4.532 4.340 0.021 0.000 0.228 317 L C 2.308 179.227 176.870 0.081 0.000 1.133 317 L CA -0.124 54.775 54.840 0.099 0.000 0.880 317 L CB -0.001 42.104 42.059 0.077 0.000 1.033 317 L HN 0.286 nan 8.230 nan 0.000 0.450 318 R N 0.648 121.185 120.500 0.061 0.000 2.103 318 R HA -0.171 4.182 4.340 0.021 0.000 0.242 318 R C -0.410 175.917 176.300 0.046 0.000 1.142 318 R CA 1.520 57.650 56.100 0.049 0.000 0.960 318 R CB -1.477 28.849 30.300 0.045 0.000 0.858 318 R HN 0.309 nan 8.270 nan 0.000 0.439 319 P HA -0.137 nan 4.420 nan 0.000 0.219 319 P C 0.564 177.876 177.300 0.020 0.000 1.146 319 P CA 1.279 64.397 63.100 0.030 0.000 0.808 319 P CB 0.129 31.845 31.700 0.026 0.000 0.779 320 Q N -1.299 118.525 119.800 0.041 0.000 2.360 320 Q HA 0.092 4.444 4.340 0.021 0.000 0.202 320 Q C 0.268 176.291 176.000 0.039 0.000 0.915 320 Q CA 0.176 56.001 55.803 0.036 0.000 0.943 320 Q CB -0.460 28.326 28.738 0.081 0.000 1.064 320 Q HN 0.058 nan 8.270 nan 0.000 0.511 321 Q N -0.459 119.364 119.800 0.038 0.000 2.453 321 Q HA -0.213 4.140 4.340 0.021 0.000 0.294 321 Q C -0.934 175.090 176.000 0.039 0.000 1.295 321 Q CA 0.842 56.665 55.803 0.034 0.000 0.853 321 Q CB -2.158 26.594 28.738 0.024 0.000 1.193 321 Q HN 0.408 nan 8.270 nan 0.000 0.461 322 L N -0.053 121.199 121.223 0.049 0.000 2.342 322 L HA 0.534 4.887 4.340 0.021 0.000 0.271 322 L C 1.021 177.916 176.870 0.042 0.000 1.008 322 L CA -0.664 54.205 54.840 0.049 0.000 0.818 322 L CB 1.832 43.930 42.059 0.064 0.000 1.296 322 L HN 0.126 nan 8.230 nan 0.000 0.427 323 T N -1.824 112.751 114.554 0.035 0.000 2.899 323 T HA 0.268 4.631 4.350 0.021 0.000 0.284 323 T C 1.223 175.937 174.700 0.023 0.000 1.004 323 T CA -0.121 61.997 62.100 0.029 0.000 1.043 323 T CB 1.647 70.533 68.868 0.030 0.000 1.013 323 T HN 0.701 nan 8.240 nan 0.000 0.518 324 G N 0.415 109.223 108.800 0.013 0.000 2.422 324 G HA2 -0.211 3.762 3.960 0.021 0.000 0.218 324 G HA3 -0.211 3.762 3.960 0.021 0.000 0.218 324 G C 1.360 176.264 174.900 0.007 0.000 1.146 324 G CA 0.904 46.005 45.100 0.002 0.000 0.769 324 G HN 0.855 nan 8.290 nan 0.000 0.547 325 K N -0.178 120.232 120.400 0.017 0.000 2.032 325 K HA -0.119 4.214 4.320 0.021 0.000 0.209 325 K C 2.571 179.184 176.600 0.022 0.000 1.048 325 K CA 1.814 58.115 56.287 0.024 0.000 0.927 325 K CB -0.357 32.165 32.500 0.037 0.000 0.712 325 K HN 0.269 nan 8.250 nan 0.000 0.441 326 T N 0.687 115.256 114.554 0.024 0.000 2.708 326 T HA -0.126 4.237 4.350 0.021 0.000 0.266 326 T C 1.849 176.562 174.700 0.023 0.000 1.037 326 T CA 1.364 63.479 62.100 0.025 0.000 1.146 326 T CB -0.311 68.574 68.868 0.029 0.000 0.865 326 T HN 0.435 nan 8.240 nan 0.000 0.435 327 A N 1.352 124.184 122.820 0.020 0.000 1.877 327 A HA -0.142 4.191 4.320 0.021 0.000 0.216 327 A C 2.222 179.809 177.584 0.004 0.000 1.186 327 A CA 1.942 53.987 52.037 0.013 0.000 0.620 327 A CB -0.691 18.311 19.000 0.003 0.000 0.822 327 A HN 0.621 nan 8.150 nan 0.000 0.443 328 E N -0.035 120.166 120.200 0.001 0.000 2.058 328 E HA -0.288 4.075 4.350 0.021 0.000 0.194 328 E C 2.093 178.698 176.600 0.008 0.000 0.997 328 E CA 1.746 58.147 56.400 0.000 0.000 0.801 328 E CB -0.166 29.535 29.700 0.002 0.000 0.746 328 E HN 0.638 nan 8.360 nan 0.000 0.450 329 K N 0.214 120.622 120.400 0.013 0.000 2.002 329 K HA -0.131 4.202 4.320 0.021 0.000 0.209 329 K C 2.161 178.771 176.600 0.017 0.000 1.048 329 K CA 1.434 57.730 56.287 0.016 0.000 0.930 329 K CB -0.237 32.274 32.500 0.019 0.000 0.714 329 K HN 0.137 nan 8.250 nan 0.000 0.438 330 V N 1.371 121.296 119.914 0.018 0.000 2.453 330 V HA -0.152 3.980 4.120 0.021 0.000 0.247 330 V C 2.064 178.170 176.094 0.019 0.000 1.048 330 V CA 1.309 63.621 62.300 0.021 0.000 1.049 330 V CB -0.177 31.661 31.823 0.026 0.000 0.672 330 V HN 0.345 nan 8.190 nan 0.000 0.457 331 L N 0.135 121.367 121.223 0.014 0.000 2.083 331 L HA -0.187 4.166 4.340 0.021 0.000 0.209 331 L C 2.355 179.234 176.870 0.014 0.000 1.083 331 L CA 2.249 57.096 54.840 0.011 0.000 0.752 331 L CB -0.700 41.358 42.059 -0.001 0.000 0.899 331 L HN 0.460 nan 8.230 nan 0.000 0.433 332 D N 0.177 120.585 120.400 0.013 0.000 2.149 332 D HA -0.239 4.413 4.640 0.021 0.000 0.198 332 D C 1.982 178.292 176.300 0.017 0.000 0.990 332 D CA 1.289 55.299 54.000 0.015 0.000 0.839 332 D CB 0.112 40.920 40.800 0.015 0.000 0.948 332 D HN 0.315 nan 8.370 nan 0.000 0.460 333 E N -0.590 119.620 120.200 0.017 0.000 2.204 333 E HA -0.125 4.237 4.350 0.021 0.000 0.195 333 E C 1.967 178.579 176.600 0.019 0.000 0.990 333 E CA 1.175 57.586 56.400 0.018 0.000 0.821 333 E CB 0.161 29.872 29.700 0.018 0.000 0.750 333 E HN 0.465 nan 8.360 nan 0.000 0.477 334 V N -3.844 116.083 119.914 0.021 0.000 3.578 334 V HA 0.460 4.593 4.120 0.021 0.000 0.290 334 V C 1.060 177.168 176.094 0.025 0.000 1.376 334 V CA 0.407 62.721 62.300 0.023 0.000 1.083 334 V CB 0.339 32.177 31.823 0.025 0.000 0.911 334 V HN 0.220 nan 8.190 nan 0.000 0.433 335 G N 0.959 109.773 108.800 0.023 0.000 2.131 335 G HA2 -0.181 3.792 3.960 0.021 0.000 0.223 335 G HA3 -0.181 3.792 3.960 0.021 0.000 0.223 335 G C -0.225 174.692 174.900 0.028 0.000 0.990 335 G CA 0.159 45.275 45.100 0.025 0.000 0.671 335 G HN 0.597 nan 8.290 nan 0.000 0.521 336 I N 1.862 122.447 120.570 0.025 0.000 2.339 336 I HA 0.368 4.551 4.170 0.021 0.000 0.290 336 I C 0.078 176.203 176.117 0.015 0.000 0.994 336 I CA -0.601 60.714 61.300 0.024 0.000 1.191 336 I CB 1.846 39.859 38.000 0.021 0.000 1.343 336 I HN 0.022 nan 8.210 nan 0.000 0.458 337 T N 6.463 121.025 114.554 0.014 0.000 2.753 337 T HA 0.489 4.852 4.350 0.021 0.000 0.297 337 T C -0.017 174.683 174.700 -0.000 0.000 0.981 337 T CA -0.540 61.566 62.100 0.010 0.000 0.956 337 T CB 0.951 69.828 68.868 0.016 0.000 0.936 337 T HN 0.443 nan 8.240 nan 0.000 0.463 338 V N 1.456 121.366 119.914 -0.006 0.000 3.155 338 V HA 0.725 4.857 4.120 0.021 0.000 0.313 338 V C -0.865 175.222 176.094 -0.011 0.000 1.162 338 V CA -1.463 60.828 62.300 -0.015 0.000 1.048 338 V CB 2.097 33.900 31.823 -0.033 0.000 1.092 338 V HN 0.696 nan 8.190 nan 0.000 0.447 339 N N 0.975 119.666 118.700 -0.015 0.000 2.399 339 N HA 0.471 5.224 4.740 0.021 0.000 0.295 339 N C -0.871 174.624 175.510 -0.025 0.000 1.048 339 N CA -0.964 52.077 53.050 -0.014 0.000 0.886 339 N CB 1.542 40.023 38.487 -0.010 0.000 1.185 339 N HN 0.877 nan 8.380 nan 0.000 0.487 340 K N 0.613 121.000 120.400 -0.022 0.000 2.414 340 K HA 0.553 4.886 4.320 0.021 0.000 0.272 340 K C -0.900 175.674 176.600 -0.043 0.000 0.993 340 K CA -0.557 55.713 56.287 -0.028 0.000 0.964 340 K CB 0.675 33.165 32.500 -0.017 0.000 0.925 340 K HN 0.416 nan 8.250 nan 0.000 0.487 341 A N 1.737 124.528 122.820 -0.049 0.000 2.488 341 A HA 0.332 4.664 4.320 0.021 0.000 0.295 341 A C -0.532 177.015 177.584 -0.062 0.000 1.045 341 A CA -0.875 51.125 52.037 -0.061 0.000 0.703 341 A CB 1.276 20.240 19.000 -0.060 0.000 1.271 341 A HN 0.826 nan 8.150 nan 0.000 0.400 342 T N 0.664 115.175 114.554 -0.072 0.000 2.916 342 T HA 0.482 4.845 4.350 0.021 0.000 0.303 342 T C 0.379 175.037 174.700 -0.070 0.000 1.025 342 T CA 0.151 62.213 62.100 -0.065 0.000 1.142 342 T CB -0.433 68.393 68.868 -0.071 0.000 0.947 342 T HN 1.227 nan 8.240 nan 0.000 0.544 343 I N 0.308 120.834 120.570 -0.074 0.000 2.566 343 I HA 0.626 4.808 4.170 0.021 0.000 0.303 343 I C -2.811 173.220 176.117 -0.142 0.000 0.983 343 I CA -3.608 57.619 61.300 -0.120 0.000 1.235 343 I CB 0.856 38.783 38.000 -0.121 0.000 1.386 343 I HN 0.302 nan 8.210 nan 0.000 0.494 344 P HA 0.020 nan 4.420 nan 0.000 0.262 344 P C -1.237 175.998 177.300 -0.108 0.000 1.182 344 P CA 0.677 63.534 63.100 -0.406 0.000 0.761 344 P CB -0.197 31.242 31.700 -0.435 0.000 0.795 345 Y N -0.565 119.703 120.300 -0.053 0.000 3.929 345 Y HA -0.259 4.304 4.550 0.022 0.000 0.225 345 Y C 0.804 176.716 175.900 0.021 0.000 1.200 345 Y CA 0.301 58.423 58.100 0.036 0.000 1.791 345 Y CB -2.451 36.029 38.460 0.034 0.000 1.561 345 Y HN 0.391 nan 8.280 nan 0.000 0.657 346 D N 2.123 122.559 120.400 0.061 0.000 2.450 346 D HA 0.025 4.678 4.640 0.021 0.000 0.247 346 D C -0.736 175.599 176.300 0.058 0.000 1.162 346 D CA -0.881 53.145 54.000 0.042 0.000 0.879 346 D CB 1.118 41.919 40.800 0.002 0.000 1.163 346 D HN 0.173 nan 8.370 nan 0.000 0.472 347 P HA -0.007 nan 4.420 nan 0.000 0.229 347 P C 0.039 177.366 177.300 0.045 0.000 1.160 347 P CA 0.539 63.672 63.100 0.055 0.000 0.777 347 P CB 0.595 32.326 31.700 0.051 0.000 0.814 348 E N 0.599 120.823 120.200 0.039 0.000 2.283 348 E HA 0.226 4.588 4.350 0.021 0.000 0.267 348 E C 0.480 177.106 176.600 0.043 0.000 1.045 348 E CA -0.377 56.047 56.400 0.040 0.000 0.884 348 E CB 1.016 30.737 29.700 0.036 0.000 1.106 348 E HN 0.082 nan 8.360 nan 0.000 0.408 349 S N 1.065 116.805 115.700 0.066 0.000 2.584 349 S HA 0.086 4.568 4.470 0.021 0.000 0.270 349 S C -1.609 173.024 174.600 0.054 0.000 1.346 349 S CA -0.954 57.304 58.200 0.096 0.000 1.018 349 S CB 0.666 63.977 63.200 0.184 0.000 0.899 349 S HN 0.260 nan 8.310 nan 0.000 0.542 350 P HA -0.046 nan 4.420 nan 0.000 0.226 350 P C 0.562 177.673 177.300 -0.314 0.000 1.146 350 P CA 1.066 64.040 63.100 -0.210 0.000 0.773 350 P CB -0.218 31.269 31.700 -0.355 0.000 0.772 351 F N -1.597 118.342 119.950 -0.017 0.000 2.754 351 F HA 0.032 4.572 4.527 0.021 0.000 0.297 351 F C 2.139 177.934 175.800 -0.008 0.000 1.122 351 F CA 0.366 58.358 58.000 -0.013 0.000 1.400 351 F CB -0.153 38.840 39.000 -0.012 0.000 1.117 351 F HN -0.262 nan 8.300 nan 0.000 0.587 352 V N -1.886 118.109 119.914 0.135 0.000 3.001 352 V HA 0.156 4.288 4.120 0.021 0.000 0.228 352 V C 0.636 176.752 176.094 0.036 0.000 1.204 352 V CA 0.886 63.234 62.300 0.080 0.000 1.247 352 V CB -0.057 31.812 31.823 0.076 0.000 1.093 352 V HN 0.372 nan 8.190 nan 0.000 0.504 353 T N -0.773 113.795 114.554 0.023 0.000 0.541 353 T HA -0.229 4.134 4.350 0.021 0.000 0.774 353 T C 0.181 174.885 174.700 0.007 0.000 0.992 353 T CA 0.405 62.505 62.100 -0.000 0.000 4.077 353 T CB -1.449 67.404 68.868 -0.025 0.000 2.303 353 T HN 0.352 nan 8.240 nan 0.000 0.398 354 S N 0.935 116.636 115.700 0.000 0.000 2.593 354 S HA 0.582 5.065 4.470 0.021 0.000 0.236 354 S C 0.749 175.348 174.600 -0.001 0.000 0.991 354 S CA -0.006 58.199 58.200 0.008 0.000 0.963 354 S CB 0.679 63.888 63.200 0.015 0.000 0.865 354 S HN 1.230 nan 8.310 nan 0.000 0.488 355 G N 1.533 110.323 108.800 -0.017 0.000 2.694 355 G HA2 0.735 4.707 3.960 0.021 0.000 0.290 355 G HA3 0.735 4.707 3.960 0.021 0.000 0.290 355 G C -1.257 173.619 174.900 -0.040 0.000 1.386 355 G CA -0.897 44.184 45.100 -0.031 0.000 0.872 355 G HN 0.305 nan 8.290 nan 0.000 0.475 356 I N -1.996 118.540 120.570 -0.057 0.000 2.608 356 I HA 0.754 4.936 4.170 0.021 0.000 0.295 356 I C -0.415 175.658 176.117 -0.073 0.000 1.049 356 I CA -1.220 60.042 61.300 -0.064 0.000 1.063 356 I CB 2.517 40.472 38.000 -0.075 0.000 1.248 356 I HN 0.446 nan 8.210 nan 0.000 0.424 357 R N 5.664 126.127 120.500 -0.062 0.000 2.312 357 R HA 0.768 5.120 4.340 0.021 0.000 0.311 357 R C -1.556 174.708 176.300 -0.059 0.000 1.004 357 R CA -0.540 55.521 56.100 -0.066 0.000 0.902 357 R CB 1.305 31.571 30.300 -0.056 0.000 1.073 357 R HN 0.816 nan 8.270 nan 0.000 0.457 358 I N 2.587 123.114 120.570 -0.072 0.000 2.582 358 I HA 0.458 4.640 4.170 0.021 0.000 0.292 358 I C -0.057 176.021 176.117 -0.064 0.000 1.066 358 I CA -0.773 60.491 61.300 -0.059 0.000 1.053 358 I CB 2.492 40.450 38.000 -0.070 0.000 1.241 358 I HN 0.777 nan 8.210 nan 0.000 0.421 359 G N 1.315 110.099 108.800 -0.027 0.000 2.574 359 G HA2 0.505 4.477 3.960 0.021 0.000 0.299 359 G HA3 0.505 4.477 3.960 0.021 0.000 0.299 359 G C 0.117 175.034 174.900 0.028 0.000 1.298 359 G CA -0.260 44.836 45.100 -0.006 0.000 0.952 359 G HN 0.587 nan 8.290 nan 0.000 0.477 360 T N -2.187 112.398 114.554 0.053 0.000 3.054 360 T HA 0.364 4.726 4.350 0.021 0.000 0.255 360 T C 2.170 176.904 174.700 0.056 0.000 1.035 360 T CA 1.221 63.349 62.100 0.047 0.000 0.941 360 T CB 0.615 69.507 68.868 0.040 0.000 1.026 360 T HN 0.732 nan 8.240 nan 0.000 0.533 361 A N 1.985 124.855 122.820 0.084 0.000 1.883 361 A HA 0.218 4.551 4.320 0.021 0.000 0.217 361 A C 2.712 180.376 177.584 0.135 0.000 1.186 361 A CA 1.932 54.033 52.037 0.106 0.000 0.624 361 A CB -1.380 17.684 19.000 0.108 0.000 0.822 361 A HN 0.738 nan 8.150 nan 0.000 0.444 362 A N -0.203 122.623 122.820 0.010 0.000 1.855 362 A HA 0.028 4.361 4.320 0.021 0.000 0.215 362 A C 2.335 179.976 177.584 0.095 0.000 1.191 362 A CA 2.246 54.237 52.037 -0.075 0.000 0.613 362 A CB -1.309 17.489 19.000 -0.337 0.000 0.829 362 A HN 1.145 nan 8.150 nan 0.000 0.442 363 V N -2.393 117.502 119.914 -0.032 0.000 2.490 363 V HA -0.172 3.961 4.120 0.021 0.000 0.250 363 V C 2.152 178.193 176.094 -0.088 0.000 1.061 363 V CA 2.631 64.764 62.300 -0.278 0.000 1.064 363 V CB -1.901 29.690 31.823 -0.387 0.000 0.670 363 V HN 0.422 nan 8.190 nan 0.000 0.461 364 T N 0.529 115.143 114.554 0.100 0.000 2.746 364 T HA -0.152 4.210 4.350 0.021 0.000 0.267 364 T C 1.951 176.837 174.700 0.311 0.000 1.039 364 T CA 2.216 64.441 62.100 0.209 0.000 1.142 364 T CB -0.624 68.327 68.868 0.139 0.000 0.866 364 T HN 0.643 nan 8.240 nan 0.000 0.444 365 T N 2.268 117.029 114.554 0.345 0.000 2.759 365 T HA -0.133 4.230 4.350 0.021 0.000 0.269 365 T C 1.910 176.692 174.700 0.137 0.000 1.042 365 T CA 1.245 63.461 62.100 0.194 0.000 1.140 365 T CB -0.229 68.738 68.868 0.164 0.000 0.864 365 T HN 0.573 nan 8.240 nan 0.000 0.455 366 R N 1.018 121.587 120.500 0.115 0.000 2.323 366 R HA 0.267 4.620 4.340 0.021 0.000 0.198 366 R C 1.444 177.829 176.300 0.142 0.000 0.988 366 R CA 0.795 56.913 56.100 0.030 0.000 1.041 366 R CB -0.184 30.034 30.300 -0.136 0.000 0.926 366 R HN 0.356 nan 8.270 nan 0.000 0.476 367 G N 0.320 109.239 108.800 0.198 0.000 2.144 367 G HA2 -0.253 3.720 3.960 0.021 0.000 0.218 367 G HA3 -0.253 3.720 3.960 0.021 0.000 0.218 367 G C -0.022 175.089 174.900 0.351 0.000 0.988 367 G CA -0.329 44.914 45.100 0.238 0.000 0.659 367 G HN 0.320 nan 8.290 nan 0.000 0.522 368 F N 0.851 120.843 119.950 0.070 0.000 2.518 368 F HA 0.427 4.968 4.527 0.024 0.000 0.359 368 F C 1.511 177.339 175.800 0.046 0.000 1.118 368 F CA 0.326 58.358 58.000 0.052 0.000 1.287 368 F CB 0.963 39.995 39.000 0.054 0.000 1.132 368 F HN 0.232 nan 8.300 nan 0.000 0.587 369 G N 1.972 110.861 108.800 0.150 0.000 3.262 369 G HA2 0.395 4.367 3.960 0.021 0.000 0.229 369 G HA3 0.395 4.367 3.960 0.021 0.000 0.229 369 G C 0.487 175.418 174.900 0.051 0.000 1.280 369 G CA -0.788 44.365 45.100 0.088 0.000 0.951 369 G HN 0.553 nan 8.290 nan 0.000 0.589 370 L N 0.028 121.268 121.223 0.029 0.000 2.046 370 L HA -0.051 4.302 4.340 0.021 0.000 0.208 370 L C 2.810 179.682 176.870 0.003 0.000 1.077 370 L CA 1.126 55.977 54.840 0.019 0.000 0.747 370 L CB -0.335 41.733 42.059 0.014 0.000 0.896 370 L HN 0.381 nan 8.230 nan 0.000 0.432 371 E N 0.441 120.631 120.200 -0.017 0.000 2.118 371 E HA -0.223 4.140 4.350 0.021 0.000 0.195 371 E C 2.089 178.651 176.600 -0.062 0.000 0.992 371 E CA 1.258 57.636 56.400 -0.036 0.000 0.804 371 E CB -0.143 29.528 29.700 -0.048 0.000 0.741 371 E HN 0.498 nan 8.360 nan 0.000 0.458 372 E N -0.004 120.136 120.200 -0.099 0.000 2.107 372 E HA -0.073 4.289 4.350 0.021 0.000 0.191 372 E C 1.971 178.555 176.600 -0.026 0.000 0.982 372 E CA 0.658 56.954 56.400 -0.174 0.000 0.809 372 E CB -0.123 29.322 29.700 -0.425 0.000 0.756 372 E HN 0.126 nan 8.360 nan 0.000 0.459 373 M N 0.822 120.442 119.600 0.033 0.000 2.086 373 M HA -0.148 4.345 4.480 0.021 0.000 0.261 373 M C 1.356 177.677 176.300 0.036 0.000 1.067 373 M CA 1.423 56.759 55.300 0.059 0.000 1.116 373 M CB -0.960 31.674 32.600 0.056 0.000 1.348 373 M HN 0.041 nan 8.290 nan 0.000 0.407 374 D N 0.173 120.585 120.400 0.019 0.000 2.133 374 D HA -0.197 4.456 4.640 0.021 0.000 0.195 374 D C 2.006 178.317 176.300 0.019 0.000 0.997 374 D CA 1.490 55.501 54.000 0.018 0.000 0.840 374 D CB -0.232 40.573 40.800 0.007 0.000 0.947 374 D HN 0.401 nan 8.370 nan 0.000 0.452 375 E N 0.459 120.659 120.200 0.000 0.000 2.072 375 E HA -0.067 4.296 4.350 0.021 0.000 0.190 375 E C 2.148 178.761 176.600 0.023 0.000 0.982 375 E CA 0.577 56.976 56.400 -0.001 0.000 0.803 375 E CB -0.332 29.346 29.700 -0.038 0.000 0.755 375 E HN 0.277 nan 8.360 nan 0.000 0.453 376 I N 0.600 121.193 120.570 0.037 0.000 2.163 376 I HA -0.316 3.867 4.170 0.021 0.000 0.243 376 I C 2.416 178.560 176.117 0.046 0.000 1.085 376 I CA 1.220 62.556 61.300 0.060 0.000 1.347 376 I CB -0.509 37.549 38.000 0.096 0.000 1.044 376 I HN 0.227 nan 8.210 nan 0.000 0.408 377 A N 0.752 123.600 122.820 0.047 0.000 1.883 377 A HA -0.228 4.105 4.320 0.021 0.000 0.217 377 A C 2.545 180.190 177.584 0.101 0.000 1.186 377 A CA 2.119 54.194 52.037 0.063 0.000 0.624 377 A CB -0.949 18.095 19.000 0.073 0.000 0.822 377 A HN 0.461 nan 8.150 nan 0.000 0.444 378 A N -0.224 122.642 122.820 0.077 0.000 1.902 378 A HA -0.090 4.243 4.320 0.021 0.000 0.217 378 A C 2.123 179.754 177.584 0.078 0.000 1.181 378 A CA 1.584 53.666 52.037 0.076 0.000 0.623 378 A CB -0.623 18.405 19.000 0.045 0.000 0.818 378 A HN 0.515 nan 8.150 nan 0.000 0.443 379 I N -0.362 120.244 120.570 0.061 0.000 2.226 379 I HA -0.251 3.932 4.170 0.021 0.000 0.245 379 I C 2.277 178.436 176.117 0.070 0.000 1.100 379 I CA 1.270 62.604 61.300 0.056 0.000 1.374 379 I CB -0.331 37.695 38.000 0.044 0.000 1.057 379 I HN 0.295 nan 8.210 nan 0.000 0.413 380 I N 0.729 121.338 120.570 0.064 0.000 2.208 380 I HA -0.243 3.940 4.170 0.021 0.000 0.245 380 I C 2.688 178.922 176.117 0.195 0.000 1.097 380 I CA 1.694 63.024 61.300 0.049 0.000 1.363 380 I CB -0.964 36.983 38.000 -0.087 0.000 1.051 380 I HN 0.290 nan 8.210 nan 0.000 0.413 381 G N 1.113 110.101 108.800 0.313 0.000 2.446 381 G HA2 -0.286 3.687 3.960 0.021 0.000 0.217 381 G HA3 -0.286 3.687 3.960 0.021 0.000 0.217 381 G C 1.647 176.652 174.900 0.176 0.000 1.168 381 G CA 0.821 46.138 45.100 0.362 0.000 0.771 381 G HN 0.275 nan 8.290 nan 0.000 0.551 382 L N 0.753 122.045 121.223 0.115 0.000 2.013 382 L HA -0.093 4.260 4.340 0.021 0.000 0.212 382 L C 2.909 179.823 176.870 0.074 0.000 1.073 382 L CA 1.707 56.590 54.840 0.072 0.000 0.753 382 L CB -0.599 41.492 42.059 0.054 0.000 0.890 382 L HN 0.103 nan 8.230 nan 0.000 0.432 383 V N -0.458 119.507 119.914 0.085 0.000 2.270 383 V HA -0.269 3.864 4.120 0.021 0.000 0.245 383 V C 2.469 178.616 176.094 0.087 0.000 1.043 383 V CA 1.999 64.341 62.300 0.071 0.000 1.014 383 V CB -0.520 31.338 31.823 0.057 0.000 0.645 383 V HN 0.440 nan 8.190 nan 0.000 0.447 384 L N -0.598 120.709 121.223 0.140 0.000 2.291 384 L HA -0.081 4.272 4.340 0.021 0.000 0.214 384 L C 2.237 179.183 176.870 0.127 0.000 1.120 384 L CA 1.210 56.148 54.840 0.163 0.000 0.799 384 L CB -0.484 41.745 42.059 0.285 0.000 0.925 384 L HN 0.309 nan 8.230 nan 0.000 0.446 385 K N 0.209 120.667 120.400 0.097 0.000 2.426 385 K HA 0.040 4.373 4.320 0.021 0.000 0.193 385 K C 0.003 176.620 176.600 0.029 0.000 1.028 385 K CA 0.368 56.677 56.287 0.036 0.000 1.047 385 K CB 0.180 32.681 32.500 0.001 0.000 0.821 385 K HN 0.296 nan 8.250 nan 0.000 0.513 386 N N -0.329 118.396 118.700 0.040 0.000 2.628 386 N HA 0.040 4.793 4.740 0.021 0.000 0.299 386 N C 0.141 175.670 175.510 0.032 0.000 1.834 386 N CA -0.079 52.989 53.050 0.030 0.000 0.871 386 N CB 1.397 39.900 38.487 0.027 0.000 1.377 386 N HN -0.201 nan 8.380 nan 0.000 0.493 387 V N -0.524 119.411 119.914 0.035 0.000 2.720 387 V HA -0.077 4.055 4.120 0.021 0.000 0.256 387 V C 1.999 178.108 176.094 0.025 0.000 1.082 387 V CA 2.072 64.391 62.300 0.033 0.000 1.101 387 V CB -0.358 31.487 31.823 0.036 0.000 0.693 387 V HN 0.592 nan 8.190 nan 0.000 0.479 388 G N -1.105 107.708 108.800 0.022 0.000 3.189 388 G HA2 0.081 4.054 3.960 0.021 0.000 0.225 388 G HA3 0.081 4.054 3.960 0.021 0.000 0.225 388 G C 0.561 175.471 174.900 0.016 0.000 1.159 388 G CA 0.567 45.678 45.100 0.018 0.000 0.763 388 G HN 0.419 nan 8.290 nan 0.000 0.549 389 S N 0.419 116.130 115.700 0.017 0.000 2.461 389 S HA 0.318 4.801 4.470 0.021 0.000 0.322 389 S C 1.076 175.685 174.600 0.016 0.000 1.063 389 S CA -0.566 57.643 58.200 0.015 0.000 1.120 389 S CB 0.854 64.063 63.200 0.015 0.000 0.968 389 S HN 0.157 nan 8.310 nan 0.000 0.467 390 E N 3.548 123.756 120.200 0.014 0.000 2.153 390 E HA -0.212 4.151 4.350 0.021 0.000 0.194 390 E C 2.106 178.714 176.600 0.014 0.000 0.988 390 E CA 1.384 57.793 56.400 0.014 0.000 0.811 390 E CB -0.109 29.599 29.700 0.012 0.000 0.746 390 E HN 0.980 nan 8.360 nan 0.000 0.466 391 Q N 0.311 120.119 119.800 0.013 0.000 2.084 391 Q HA -0.040 4.312 4.340 0.021 0.000 0.202 391 Q C 2.160 178.168 176.000 0.015 0.000 0.978 391 Q CA 1.584 57.395 55.803 0.013 0.000 0.844 391 Q CB -0.390 28.354 28.738 0.011 0.000 0.898 391 Q HN 0.137 nan 8.270 nan 0.000 0.426 392 A N 1.920 124.750 122.820 0.016 0.000 1.902 392 A HA -0.102 4.231 4.320 0.021 0.000 0.217 392 A C 2.256 179.853 177.584 0.022 0.000 1.181 392 A CA 1.349 53.398 52.037 0.020 0.000 0.623 392 A CB -0.734 18.279 19.000 0.022 0.000 0.818 392 A HN 0.383 nan 8.150 nan 0.000 0.443 393 L N -0.954 120.282 121.223 0.022 0.000 2.083 393 L HA -0.182 4.171 4.340 0.021 0.000 0.209 393 L C 2.648 179.530 176.870 0.021 0.000 1.083 393 L CA 1.711 56.565 54.840 0.023 0.000 0.752 393 L CB -0.528 41.544 42.059 0.022 0.000 0.899 393 L HN 0.463 nan 8.230 nan 0.000 0.433 394 E N 0.778 120.989 120.200 0.018 0.000 2.106 394 E HA -0.264 4.099 4.350 0.021 0.000 0.192 394 E C 2.003 178.613 176.600 0.016 0.000 0.984 394 E CA 1.446 57.856 56.400 0.016 0.000 0.806 394 E CB -0.015 29.693 29.700 0.014 0.000 0.750 394 E HN 0.422 nan 8.360 nan 0.000 0.458 395 E N -0.359 119.851 120.200 0.016 0.000 2.058 395 E HA -0.235 4.128 4.350 0.021 0.000 0.194 395 E C 1.947 178.558 176.600 0.019 0.000 0.997 395 E CA 1.223 57.633 56.400 0.016 0.000 0.801 395 E CB -0.285 29.425 29.700 0.016 0.000 0.746 395 E HN 0.324 nan 8.360 nan 0.000 0.450 396 A N 1.390 124.224 122.820 0.023 0.000 1.883 396 A HA -0.228 4.105 4.320 0.021 0.000 0.217 396 A C 2.229 179.828 177.584 0.025 0.000 1.186 396 A CA 1.725 53.778 52.037 0.026 0.000 0.624 396 A CB -0.653 18.365 19.000 0.031 0.000 0.822 396 A HN 0.245 nan 8.150 nan 0.000 0.444 397 R N -0.612 119.901 120.500 0.023 0.000 2.096 397 R HA -0.211 4.142 4.340 0.021 0.000 0.240 397 R C 2.476 178.789 176.300 0.021 0.000 1.139 397 R CA 2.078 58.191 56.100 0.022 0.000 0.952 397 R CB -0.294 30.018 30.300 0.020 0.000 0.854 397 R HN 0.729 nan 8.270 nan 0.000 0.436 398 Q N -0.643 119.168 119.800 0.018 0.000 2.119 398 Q HA -0.151 4.202 4.340 0.021 0.000 0.201 398 Q C 2.168 178.176 176.000 0.014 0.000 0.972 398 Q CA 1.463 57.275 55.803 0.015 0.000 0.847 398 Q CB 0.020 28.766 28.738 0.013 0.000 0.903 398 Q HN 0.318 nan 8.270 nan 0.000 0.433 399 R N -0.256 120.252 120.500 0.014 0.000 2.115 399 R HA -0.066 4.287 4.340 0.021 0.000 0.226 399 R C 2.283 178.592 176.300 0.015 0.000 1.100 399 R CA 0.881 56.987 56.100 0.011 0.000 0.980 399 R CB -0.160 30.147 30.300 0.012 0.000 0.875 399 R HN 0.068 nan 8.270 nan 0.000 0.445 400 V N 1.020 120.950 119.914 0.027 0.000 2.295 400 V HA -0.246 3.887 4.120 0.021 0.000 0.246 400 V C 2.421 178.537 176.094 0.036 0.000 1.049 400 V CA 2.044 64.369 62.300 0.041 0.000 1.024 400 V CB -0.685 31.163 31.823 0.042 0.000 0.648 400 V HN 0.406 nan 8.190 nan 0.000 0.447 401 A N -0.024 122.811 122.820 0.025 0.000 1.940 401 A HA -0.145 4.188 4.320 0.021 0.000 0.219 401 A C 2.420 180.015 177.584 0.018 0.000 1.176 401 A CA 2.108 54.158 52.037 0.022 0.000 0.631 401 A CB -0.790 18.224 19.000 0.023 0.000 0.814 401 A HN 0.589 nan 8.150 nan 0.000 0.446 402 A N -0.405 122.421 122.820 0.010 0.000 1.940 402 A HA -0.061 4.271 4.320 0.021 0.000 0.219 402 A C 2.164 179.737 177.584 -0.020 0.000 1.176 402 A CA 1.536 53.571 52.037 -0.003 0.000 0.631 402 A CB -0.531 18.463 19.000 -0.011 0.000 0.814 402 A HN 0.486 nan 8.150 nan 0.000 0.446 403 L N -0.424 120.787 121.223 -0.020 0.000 2.109 403 L HA -0.116 4.237 4.340 0.021 0.000 0.207 403 L C 2.808 179.706 176.870 0.047 0.000 1.086 403 L CA 1.752 56.553 54.840 -0.063 0.000 0.760 403 L CB -0.471 41.562 42.059 -0.043 0.000 0.910 403 L HN 0.647 nan 8.230 nan 0.000 0.437 404 T N -3.993 110.605 114.554 0.073 0.000 3.065 404 T HA 0.061 4.423 4.350 0.021 0.000 0.252 404 T C 0.378 175.050 174.700 -0.047 0.000 1.099 404 T CA 0.218 62.317 62.100 -0.001 0.000 1.063 404 T CB 0.005 68.794 68.868 -0.132 0.000 0.948 404 T HN 0.544 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.417 120.400 0.029 0.000 6.856 405 D HA 0.000 4.653 4.640 0.021 0.000 0.175 405 D CA 0.000 54.042 54.000 0.069 0.000 0.868 405 D CB 0.000 40.866 40.800 0.111 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683