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 3oka_1_B DATA FIRST_RESID 4 DATA SEQUENCE SRKTLVVTND FPPRIGGIQS YLRDFIATQD PESIVVFAST QNAEEAHAYD DATA SEQUENCE KTLDYEVIRW PRSVMLPTPT TAHAMAEIIR EREIDNVWFG AAAPLALMAG DATA SEQUENCE TAKQAGASKV IASTHGHEVG WSMLPGSRQS LRKIGTEVDV LTYISQYTLR DATA SEQUENCE RFKSAFGSHP TFEHLPSGVD VKRFTPATPE DKSATRKKLG FTDTTPVIAC DATA SEQUENCE NSRLVPRKGQ DSLIKAMPQV IAARPDAQLL IVGSGRYEST LRRLATDVSQ DATA SEQUENCE NVKFLGRLEY QDMINTLAAA DIFAMPARTR GGGLDVEGLG IVYLEAQACG DATA SEQUENCE VPVIAGTSGG APETVTPATG LVVEGSDVDK LSELLIELLD DPIRRAAMGA DATA SEQUENCE AGRAHVEAEW SWEIMGERLT NILQSEPR 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.589 174.600 -0.018 0.000 1.055 4 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 4 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 5 R N 2.654 123.140 120.500 -0.023 0.000 2.438 5 R HA 0.356 4.696 4.340 -0.001 0.000 0.287 5 R C -0.127 176.158 176.300 -0.024 0.000 1.077 5 R CA -0.437 55.648 56.100 -0.026 0.000 1.034 5 R CB 0.834 31.113 30.300 -0.034 0.000 0.993 5 R HN 0.466 nan 8.270 nan 0.000 0.459 6 K N 1.564 121.950 120.400 -0.023 0.000 2.183 6 K HA 0.201 4.520 4.320 -0.001 0.000 0.274 6 K C -0.921 175.665 176.600 -0.022 0.000 1.009 6 K CA -0.245 56.030 56.287 -0.020 0.000 0.888 6 K CB 1.329 33.817 32.500 -0.020 0.000 1.078 6 K HN 0.429 nan 8.250 nan 0.000 0.459 7 T N 4.218 118.764 114.554 -0.013 0.000 2.797 7 T HA 0.276 4.625 4.350 -0.001 0.000 0.279 7 T C -1.038 173.657 174.700 -0.009 0.000 0.991 7 T CA -0.666 61.435 62.100 0.002 0.000 0.979 7 T CB 0.921 69.820 68.868 0.052 0.000 0.943 7 T HN 0.396 nan 8.240 nan 0.000 0.444 8 L N 5.195 126.396 121.223 -0.037 0.000 2.257 8 L HA 0.537 4.877 4.340 -0.001 0.000 0.290 8 L C -0.676 176.142 176.870 -0.085 0.000 1.044 8 L CA -0.362 54.437 54.840 -0.069 0.000 0.810 8 L CB 0.698 42.690 42.059 -0.111 0.000 1.193 8 L HN 0.431 nan 8.230 nan 0.000 0.425 9 V N 6.362 126.215 119.914 -0.102 0.000 2.385 9 V HA 0.315 4.434 4.120 -0.001 0.000 0.269 9 V C 0.003 175.963 176.094 -0.222 0.000 1.043 9 V CA -0.599 61.573 62.300 -0.213 0.000 0.906 9 V CB 1.137 32.778 31.823 -0.303 0.000 0.995 9 V HN 0.511 nan 8.190 nan 0.000 0.467 10 V N 4.682 124.439 119.914 -0.261 0.000 2.350 10 V HA 0.643 4.763 4.120 -0.001 0.000 0.276 10 V C 0.203 176.223 176.094 -0.124 0.000 1.028 10 V CA 0.009 62.218 62.300 -0.152 0.000 0.860 10 V CB 1.479 33.209 31.823 -0.155 0.000 0.990 10 V HN 0.974 nan 8.190 nan 0.000 0.453 11 T N 3.010 117.468 114.554 -0.160 0.000 3.041 11 T HA 0.287 4.636 4.350 -0.001 0.000 0.321 11 T C 0.371 175.014 174.700 -0.095 0.000 1.184 11 T CA -0.486 61.552 62.100 -0.102 0.000 1.050 11 T CB 1.608 70.415 68.868 -0.103 0.000 1.159 11 T HN 0.606 nan 8.240 nan 0.000 0.469 12 N N 2.532 121.211 118.700 -0.034 0.000 2.412 12 N HA 0.112 4.852 4.740 -0.001 0.000 0.184 12 N C -0.547 174.976 175.510 0.023 0.000 1.101 12 N CA 0.332 53.375 53.050 -0.013 0.000 0.881 12 N CB 0.423 38.910 38.487 0.001 0.000 0.969 12 N HN 0.566 nan 8.380 nan 0.000 0.459 13 D N 0.180 120.605 120.400 0.043 0.000 2.440 13 D HA 0.222 4.862 4.640 -0.001 0.000 0.239 13 D C -1.327 175.091 176.300 0.196 0.000 1.084 13 D CA -0.203 53.838 54.000 0.069 0.000 0.843 13 D CB 1.090 41.901 40.800 0.018 0.000 1.097 13 D HN 0.000 nan 8.370 nan 0.000 0.531 14 F N 1.954 121.875 119.950 -0.049 0.000 2.665 14 F HA 0.287 4.813 4.527 -0.001 0.000 0.308 14 F C -2.515 173.222 175.800 -0.106 0.000 1.112 14 F CA -1.865 56.106 58.000 -0.047 0.000 0.972 14 F CB 1.984 40.975 39.000 -0.016 0.000 1.295 14 F HN -0.001 nan 8.300 nan 0.000 0.440 15 P HA 0.140 nan 4.420 nan 0.000 0.270 15 P C -2.253 174.689 177.300 -0.596 0.000 1.227 15 P CA -0.685 61.970 63.100 -0.741 0.000 0.788 15 P CB 0.215 31.209 31.700 -1.176 0.000 0.926 16 P HA -0.009 nan 4.420 nan 0.000 0.245 16 P C 0.361 177.476 177.300 -0.310 0.000 1.212 16 P CA 0.539 63.285 63.100 -0.591 0.000 0.774 16 P CB 0.332 31.829 31.700 -0.338 0.000 0.999 17 R N 1.106 121.478 120.500 -0.213 0.000 2.538 17 R HA 0.100 4.440 4.340 -0.001 0.000 0.282 17 R C 0.124 176.340 176.300 -0.140 0.000 1.009 17 R CA -0.116 55.907 56.100 -0.129 0.000 1.063 17 R CB 0.153 30.409 30.300 -0.074 0.000 0.945 17 R HN -0.037 nan 8.270 nan 0.000 0.414 18 I N 3.342 123.853 120.570 -0.098 0.000 2.395 18 I HA 0.420 4.590 4.170 -0.001 0.000 0.289 18 I C 0.938 177.025 176.117 -0.050 0.000 1.023 18 I CA 0.355 61.606 61.300 -0.081 0.000 1.350 18 I CB 0.752 38.717 38.000 -0.057 0.000 1.409 18 I HN 0.864 nan 8.210 nan 0.000 0.507 19 G N 3.259 112.037 108.800 -0.038 0.000 2.328 19 G HA2 0.380 4.340 3.960 -0.001 0.000 0.295 19 G HA3 0.380 4.340 3.960 -0.001 0.000 0.295 19 G C 0.336 175.243 174.900 0.012 0.000 1.413 19 G CA -0.183 44.908 45.100 -0.015 0.000 0.817 19 G HN 0.685 nan 8.290 nan 0.000 0.546 20 G N -0.563 108.252 108.800 0.025 0.000 2.404 20 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.215 20 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.215 20 G C 1.675 176.632 174.900 0.096 0.000 1.174 20 G CA 1.318 46.459 45.100 0.067 0.000 0.780 20 G HN 0.575 nan 8.290 nan 0.000 0.537 21 I N 0.258 120.831 120.570 0.005 0.000 2.315 21 I HA -0.149 4.020 4.170 -0.001 0.000 0.248 21 I C 2.963 179.149 176.117 0.115 0.000 1.117 21 I CA 0.873 62.166 61.300 -0.012 0.000 1.404 21 I CB -0.192 37.663 38.000 -0.242 0.000 1.071 21 I HN 0.119 nan 8.210 nan 0.000 0.419 22 Q N 0.581 120.406 119.800 0.041 0.000 2.061 22 Q HA -0.184 4.156 4.340 -0.001 0.000 0.204 22 Q C 2.447 178.446 176.000 -0.002 0.000 0.984 22 Q CA 2.198 57.995 55.803 -0.011 0.000 0.846 22 Q CB -0.397 28.287 28.738 -0.089 0.000 0.902 22 Q HN 0.357 nan 8.270 nan 0.000 0.421 23 S N -0.570 115.160 115.700 0.049 0.000 2.368 23 S HA -0.164 4.306 4.470 -0.001 0.000 0.224 23 S C 1.606 176.307 174.600 0.169 0.000 1.029 23 S CA 1.088 59.329 58.200 0.069 0.000 0.988 23 S CB -0.487 62.775 63.200 0.104 0.000 0.838 23 S HN 0.452 nan 8.310 nan 0.000 0.462 24 Y N 2.319 122.726 120.300 0.179 0.000 2.097 24 Y HA -0.175 4.374 4.550 -0.001 0.000 0.282 24 Y C 1.934 178.065 175.900 0.385 0.000 1.152 24 Y CA 1.576 59.895 58.100 0.366 0.000 1.136 24 Y CB -0.428 38.277 38.460 0.408 0.000 0.975 24 Y HN 0.132 nan 8.280 nan 0.000 0.498 25 L N -0.017 121.448 121.223 0.403 0.000 2.056 25 L HA -0.189 4.151 4.340 -0.001 0.000 0.207 25 L C 2.766 179.721 176.870 0.142 0.000 1.078 25 L CA 1.584 56.574 54.840 0.249 0.000 0.749 25 L CB -0.636 41.545 42.059 0.205 0.000 0.901 25 L HN 0.204 nan 8.230 nan 0.000 0.433 26 R N 0.408 120.927 120.500 0.032 0.000 2.083 26 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 26 R C 1.698 177.922 176.300 -0.126 0.000 1.137 26 R CA 2.125 58.193 56.100 -0.053 0.000 0.951 26 R CB -0.161 30.048 30.300 -0.152 0.000 0.851 26 R HN 0.332 nan 8.270 nan 0.000 0.434 27 D N -0.468 119.747 120.400 -0.309 0.000 2.162 27 D HA -0.094 4.545 4.640 -0.001 0.000 0.203 27 D C 1.725 177.521 176.300 -0.840 0.000 0.967 27 D CA 0.889 54.410 54.000 -0.799 0.000 0.840 27 D CB -0.248 39.735 40.800 -1.362 0.000 0.972 27 D HN 0.166 nan 8.370 nan 0.000 0.482 28 F N 1.025 120.729 119.950 -0.410 0.000 2.146 28 F HA -0.032 4.495 4.527 -0.001 0.000 0.298 28 F C 2.349 178.137 175.800 -0.020 0.000 1.096 28 F CA 0.574 58.510 58.000 -0.107 0.000 1.275 28 F CB -0.407 38.636 39.000 0.071 0.000 1.008 28 F HN -0.096 nan 8.300 nan 0.000 0.480 29 I N -0.405 120.272 120.570 0.177 0.000 2.286 29 I HA -0.316 3.854 4.170 -0.001 0.000 0.248 29 I C 2.523 178.616 176.117 -0.040 0.000 1.115 29 I CA 1.214 62.546 61.300 0.053 0.000 1.392 29 I CB -0.702 37.267 38.000 -0.052 0.000 1.065 29 I HN 0.079 nan 8.210 nan 0.000 0.418 30 A N 0.452 123.243 122.820 -0.048 0.000 2.070 30 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 30 A C 2.338 179.893 177.584 -0.048 0.000 1.159 30 A CA 2.132 54.143 52.037 -0.044 0.000 0.656 30 A CB -1.075 17.853 19.000 -0.120 0.000 0.800 30 A HN 0.554 nan 8.150 nan 0.000 0.453 31 T N -3.169 111.359 114.554 -0.043 0.000 3.088 31 T HA 0.074 4.423 4.350 -0.001 0.000 0.259 31 T C 0.810 175.529 174.700 0.033 0.000 1.122 31 T CA 0.234 62.341 62.100 0.012 0.000 1.095 31 T CB -0.080 68.832 68.868 0.073 0.000 0.930 31 T HN 0.358 nan 8.240 nan 0.000 0.508 32 Q N 1.745 121.560 119.800 0.024 0.000 2.193 32 Q HA 0.330 4.670 4.340 -0.001 0.000 0.246 32 Q C -0.643 175.361 176.000 0.006 0.000 0.959 32 Q CA -0.696 55.115 55.803 0.013 0.000 0.904 32 Q CB 0.803 29.545 28.738 0.007 0.000 1.238 32 Q HN 0.282 nan 8.270 nan 0.000 0.469 33 D N 2.517 122.920 120.400 0.006 0.000 2.412 33 D HA -0.001 4.638 4.640 -0.001 0.000 0.257 33 D C -1.426 174.884 176.300 0.017 0.000 1.217 33 D CA -1.391 52.617 54.000 0.013 0.000 0.897 33 D CB 0.838 41.644 40.800 0.008 0.000 1.132 33 D HN 0.143 nan 8.370 nan 0.000 0.493 34 P HA -0.159 nan 4.420 nan 0.000 0.219 34 P C 0.658 178.014 177.300 0.094 0.000 1.146 34 P CA 1.049 64.214 63.100 0.108 0.000 0.808 34 P CB 0.315 32.114 31.700 0.166 0.000 0.779 35 E N 0.084 120.317 120.200 0.055 0.000 2.347 35 E HA -0.066 4.284 4.350 -0.001 0.000 0.196 35 E C 1.718 178.333 176.600 0.025 0.000 1.008 35 E CA 1.167 57.591 56.400 0.040 0.000 0.852 35 E CB -0.234 29.481 29.700 0.025 0.000 0.783 35 E HN 0.356 nan 8.360 nan 0.000 0.505 36 S N -0.022 115.686 115.700 0.012 0.000 2.557 36 S HA 0.165 4.635 4.470 -0.001 0.000 0.223 36 S C 0.454 175.048 174.600 -0.011 0.000 0.969 36 S CA -0.363 57.835 58.200 -0.002 0.000 0.927 36 S CB 0.325 63.520 63.200 -0.009 0.000 0.806 36 S HN -0.046 nan 8.310 nan 0.000 0.489 37 I N 2.125 122.687 120.570 -0.013 0.000 2.466 37 I HA 0.535 4.705 4.170 -0.001 0.000 0.289 37 I C -0.871 175.248 176.117 0.004 0.000 1.026 37 I CA -0.842 60.423 61.300 -0.057 0.000 1.078 37 I CB 1.841 39.697 38.000 -0.239 0.000 1.249 37 I HN -0.016 nan 8.210 nan 0.000 0.429 38 V N 6.557 126.469 119.914 -0.004 0.000 2.656 38 V HA 0.544 4.664 4.120 -0.001 0.000 0.307 38 V C -0.212 175.875 176.094 -0.011 0.000 1.051 38 V CA -0.765 61.555 62.300 0.033 0.000 0.893 38 V CB 2.901 34.726 31.823 0.003 0.000 0.999 38 V HN 0.419 nan 8.190 nan 0.000 0.426 39 V N 4.327 124.245 119.914 0.006 0.000 2.513 39 V HA 0.497 4.617 4.120 -0.001 0.000 0.299 39 V C -0.940 175.138 176.094 -0.025 0.000 1.035 39 V CA -0.532 61.690 62.300 -0.131 0.000 0.889 39 V CB 1.756 33.349 31.823 -0.382 0.000 0.988 39 V HN 0.700 nan 8.190 nan 0.000 0.440 40 F N 4.852 124.663 119.950 -0.231 0.000 2.382 40 F HA 0.823 5.350 4.527 -0.001 0.000 0.361 40 F C 0.076 175.773 175.800 -0.171 0.000 1.109 40 F CA -1.109 56.794 58.000 -0.162 0.000 1.031 40 F CB 0.787 39.691 39.000 -0.159 0.000 1.234 40 F HN 0.576 nan 8.300 nan 0.000 0.445 41 A N 3.690 126.342 122.820 -0.280 0.000 2.435 41 A HA 0.709 5.029 4.320 -0.001 0.000 0.304 41 A C -0.516 176.986 177.584 -0.138 0.000 1.064 41 A CA -0.387 51.490 52.037 -0.266 0.000 0.727 41 A CB 1.039 19.887 19.000 -0.252 0.000 1.284 41 A HN 0.817 nan 8.150 nan 0.000 0.415 42 S N 0.510 116.171 115.700 -0.065 0.000 2.600 42 S HA 0.562 5.032 4.470 -0.001 0.000 0.265 42 S C 0.013 174.652 174.600 0.066 0.000 1.325 42 S CA 0.004 58.238 58.200 0.056 0.000 1.002 42 S CB 0.603 63.843 63.200 0.066 0.000 0.921 42 S HN 0.771 nan 8.310 nan 0.000 0.554 43 T N 2.133 116.722 114.554 0.058 0.000 2.809 43 T HA 0.377 4.726 4.350 -0.001 0.000 0.284 43 T C 0.168 174.884 174.700 0.026 0.000 0.992 43 T CA -0.516 61.614 62.100 0.049 0.000 0.957 43 T CB 1.704 70.596 68.868 0.040 0.000 0.942 43 T HN 0.602 nan 8.240 nan 0.000 0.439 44 Q N 1.525 121.340 119.800 0.025 0.000 2.259 44 Q HA 0.245 4.584 4.340 -0.001 0.000 0.201 44 Q C 0.631 176.635 176.000 0.006 0.000 0.938 44 Q CA 0.531 56.340 55.803 0.010 0.000 0.872 44 Q CB 0.422 29.161 28.738 0.003 0.000 0.971 44 Q HN 0.479 nan 8.270 nan 0.000 0.494 45 N N -0.603 118.105 118.700 0.014 0.000 2.533 45 N HA 0.315 5.055 4.740 -0.001 0.000 0.289 45 N C -0.506 175.024 175.510 0.033 0.000 1.103 45 N CA 0.173 53.232 53.050 0.015 0.000 0.877 45 N CB 1.536 40.029 38.487 0.010 0.000 1.419 45 N HN 0.056 nan 8.380 nan 0.000 0.517 46 A N 3.040 125.877 122.820 0.029 0.000 1.969 46 A HA -0.074 4.246 4.320 -0.001 0.000 0.218 46 A C 1.852 179.479 177.584 0.070 0.000 1.169 46 A CA 2.295 54.358 52.037 0.044 0.000 0.635 46 A CB -0.610 18.400 19.000 0.016 0.000 0.810 46 A HN 0.751 nan 8.150 nan 0.000 0.445 47 E N 0.207 120.437 120.200 0.050 0.000 2.076 47 E HA -0.145 4.205 4.350 -0.001 0.000 0.190 47 E C 1.753 178.414 176.600 0.102 0.000 0.979 47 E CA 1.254 57.691 56.400 0.063 0.000 0.807 47 E CB -0.667 29.051 29.700 0.029 0.000 0.761 47 E HN 0.837 nan 8.360 nan 0.000 0.454 48 E N -0.081 120.165 120.200 0.076 0.000 2.107 48 E HA 0.060 4.410 4.350 -0.001 0.000 0.191 48 E C 2.468 179.136 176.600 0.113 0.000 0.982 48 E CA 0.723 57.169 56.400 0.077 0.000 0.809 48 E CB -0.100 29.622 29.700 0.035 0.000 0.756 48 E HN 0.514 nan 8.360 nan 0.000 0.459 49 A N 0.973 123.863 122.820 0.115 0.000 1.877 49 A HA -0.254 4.065 4.320 -0.001 0.000 0.216 49 A C 1.954 179.651 177.584 0.188 0.000 1.186 49 A CA 2.012 54.140 52.037 0.152 0.000 0.620 49 A CB -0.811 18.270 19.000 0.135 0.000 0.822 49 A HN 0.344 nan 8.150 nan 0.000 0.443 50 H N -0.217 118.906 119.070 0.087 0.000 2.353 50 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 50 H C 2.142 177.505 175.328 0.058 0.000 1.090 50 H CA 1.991 58.079 56.048 0.066 0.000 1.327 50 H CB -0.193 29.594 29.762 0.041 0.000 1.383 50 H HN 0.396 nan 8.280 nan 0.000 0.508 51 A N -0.205 122.690 122.820 0.125 0.000 1.902 51 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 51 A C 2.302 179.892 177.584 0.011 0.000 1.181 51 A CA 1.549 53.622 52.037 0.061 0.000 0.623 51 A CB -1.318 17.743 19.000 0.102 0.000 0.818 51 A HN 0.682 nan 8.150 nan 0.000 0.443 52 Y N 1.230 121.502 120.300 -0.046 0.000 2.181 52 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 52 Y C 1.762 177.606 175.900 -0.094 0.000 1.146 52 Y CA 2.083 60.145 58.100 -0.063 0.000 1.164 52 Y CB -0.151 38.282 38.460 -0.044 0.000 0.982 52 Y HN 0.357 nan 8.280 nan 0.000 0.515 53 D N 0.012 120.393 120.400 -0.033 0.000 2.218 53 D HA -0.152 4.488 4.640 -0.001 0.000 0.204 53 D C 1.899 178.038 176.300 -0.269 0.000 0.976 53 D CA 1.212 55.133 54.000 -0.132 0.000 0.853 53 D CB -0.213 40.563 40.800 -0.041 0.000 0.939 53 D HN 0.380 nan 8.370 nan 0.000 0.481 54 K N -0.048 120.179 120.400 -0.289 0.000 2.211 54 K HA -0.077 4.243 4.320 -0.001 0.000 0.203 54 K C 1.997 178.454 176.600 -0.238 0.000 1.050 54 K CA 1.322 57.455 56.287 -0.258 0.000 0.945 54 K CB 0.012 32.373 32.500 -0.231 0.000 0.732 54 K HN 0.249 nan 8.250 nan 0.000 0.451 55 T N -1.154 113.218 114.554 -0.304 0.000 3.055 55 T HA 0.057 4.406 4.350 -0.001 0.000 0.265 55 T C 0.871 175.377 174.700 -0.323 0.000 1.111 55 T CA 0.192 62.111 62.100 -0.302 0.000 1.118 55 T CB -0.116 68.533 68.868 -0.366 0.000 0.909 55 T HN -0.067 nan 8.240 nan 0.000 0.501 56 L N 2.206 123.188 121.223 -0.401 0.000 2.399 56 L HA 0.417 4.757 4.340 -0.001 0.000 0.265 56 L C 0.904 177.576 176.870 -0.330 0.000 1.089 56 L CA -0.800 53.768 54.840 -0.453 0.000 0.802 56 L CB 0.860 42.472 42.059 -0.745 0.000 1.180 56 L HN 0.168 nan 8.230 nan 0.000 0.454 57 D N -1.237 119.010 120.400 -0.255 0.000 2.363 57 D HA 0.048 4.687 4.640 -0.001 0.000 0.214 57 D C -0.379 175.928 176.300 0.011 0.000 1.093 57 D CA 0.006 53.954 54.000 -0.088 0.000 0.837 57 D CB -0.137 40.659 40.800 -0.007 0.000 0.948 57 D HN 0.393 nan 8.370 nan 0.000 0.507 58 Y N -1.670 118.627 120.300 -0.006 0.000 2.570 58 Y HA 0.582 5.132 4.550 -0.000 0.000 0.345 58 Y C -0.086 175.820 175.900 0.010 0.000 1.014 58 Y CA -1.786 56.320 58.100 0.009 0.000 1.063 58 Y CB 0.927 39.404 38.460 0.028 0.000 1.272 58 Y HN -0.204 nan 8.280 nan 0.000 0.477 59 E N 1.473 121.782 120.200 0.183 0.000 2.344 59 E HA 0.386 4.736 4.350 -0.001 0.000 0.270 59 E C -1.419 175.268 176.600 0.144 0.000 1.021 59 E CA -0.387 56.071 56.400 0.096 0.000 0.887 59 E CB 0.886 30.629 29.700 0.072 0.000 0.997 59 E HN 0.615 nan 8.360 nan 0.000 0.429 60 V N 6.945 126.900 119.914 0.068 0.000 2.409 60 V HA 0.308 4.427 4.120 -0.001 0.000 0.291 60 V C -0.002 176.143 176.094 0.085 0.000 1.020 60 V CA -0.607 61.736 62.300 0.071 0.000 0.848 60 V CB 1.293 33.170 31.823 0.091 0.000 0.990 60 V HN 0.611 nan 8.190 nan 0.000 0.430 61 I N 5.827 126.469 120.570 0.121 0.000 2.304 61 I HA 0.449 4.618 4.170 -0.001 0.000 0.291 61 I C 0.260 176.545 176.117 0.281 0.000 1.018 61 I CA -0.528 60.891 61.300 0.198 0.000 1.260 61 I CB 0.876 38.993 38.000 0.195 0.000 1.390 61 I HN 0.386 nan 8.210 nan 0.000 0.475 62 R N 6.116 126.758 120.500 0.237 0.000 2.254 62 R HA 0.157 4.496 4.340 -0.001 0.000 0.318 62 R C -0.717 175.773 176.300 0.317 0.000 1.031 62 R CA -0.405 55.824 56.100 0.215 0.000 0.905 62 R CB 1.207 31.599 30.300 0.155 0.000 1.050 62 R HN 0.693 nan 8.270 nan 0.000 0.456 63 W N 6.932 128.232 121.300 0.000 0.000 2.388 63 W HA 0.184 4.844 4.660 -0.000 0.000 0.308 63 W C -1.906 174.610 176.519 -0.005 0.000 1.263 63 W CA -2.059 55.279 57.345 -0.011 0.000 1.286 63 W CB 1.375 30.650 29.460 -0.308 0.000 1.294 63 W HN 0.326 nan 8.180 nan 0.000 0.493 64 P HA 0.041 nan 4.420 nan 0.000 0.237 64 P C -0.487 176.593 177.300 -0.367 0.000 1.723 64 P CA 0.253 63.189 63.100 -0.274 0.000 0.882 64 P CB -0.171 31.383 31.700 -0.243 0.000 1.810 65 R N -1.018 119.275 120.500 -0.346 0.000 2.744 65 R HA 0.383 4.723 4.340 -0.001 0.000 0.279 65 R C 1.433 177.712 176.300 -0.035 0.000 0.977 65 R CA -0.494 55.489 56.100 -0.195 0.000 0.906 65 R CB 0.822 31.008 30.300 -0.190 0.000 1.197 65 R HN 0.087 nan 8.270 nan 0.000 0.463 66 S N 0.086 115.776 115.700 -0.016 0.000 2.382 66 S HA -0.008 4.462 4.470 -0.001 0.000 0.228 66 S C 0.600 175.223 174.600 0.037 0.000 1.027 66 S CA 1.167 59.373 58.200 0.010 0.000 0.991 66 S CB 0.154 63.355 63.200 0.001 0.000 0.823 66 S HN 0.393 nan 8.310 nan 0.000 0.469 67 V N 2.382 122.331 119.914 0.058 0.000 2.483 67 V HA 0.434 4.554 4.120 -0.001 0.000 0.297 67 V C -0.319 175.864 176.094 0.147 0.000 1.027 67 V CA -0.519 61.827 62.300 0.076 0.000 0.855 67 V CB 1.596 33.451 31.823 0.052 0.000 0.995 67 V HN 0.461 nan 8.190 nan 0.000 0.424 68 M N 6.231 125.911 119.600 0.132 0.000 2.146 68 M HA 0.531 5.010 4.480 -0.001 0.000 0.352 68 M C -1.514 174.817 176.300 0.050 0.000 1.343 68 M CA -0.032 55.337 55.300 0.115 0.000 1.115 68 M CB 0.338 32.879 32.600 -0.098 0.000 1.657 68 M HN 0.555 nan 8.290 nan 0.000 0.471 69 L N 7.579 128.854 121.223 0.087 0.000 2.342 69 L HA 0.570 4.910 4.340 -0.001 0.000 0.271 69 L C -1.887 175.000 176.870 0.028 0.000 1.008 69 L CA -1.903 52.972 54.840 0.058 0.000 0.818 69 L CB 1.984 44.095 42.059 0.088 0.000 1.296 69 L HN 0.548 nan 8.230 nan 0.000 0.427 70 P HA 0.048 nan 4.420 nan 0.000 0.225 70 P C -0.116 177.197 177.300 0.021 0.000 1.768 70 P CA -0.192 62.907 63.100 -0.001 0.000 0.943 70 P CB -0.693 30.990 31.700 -0.028 0.000 1.936 71 T N -2.300 112.283 114.554 0.049 0.000 2.816 71 T HA 0.299 4.649 4.350 -0.001 0.000 0.282 71 T C -1.621 173.121 174.700 0.070 0.000 0.993 71 T CA -1.865 60.276 62.100 0.068 0.000 0.994 71 T CB 0.377 69.310 68.868 0.107 0.000 1.025 71 T HN -0.164 nan 8.240 nan 0.000 0.529 72 P HA -0.132 nan 4.420 nan 0.000 0.216 72 P C 1.914 179.283 177.300 0.115 0.000 1.150 72 P CA 1.696 64.841 63.100 0.075 0.000 0.843 72 P CB -0.268 31.466 31.700 0.056 0.000 0.787 73 T N -4.148 110.494 114.554 0.147 0.000 2.904 73 T HA -0.082 4.268 4.350 -0.001 0.000 0.267 73 T C 1.734 176.583 174.700 0.248 0.000 1.059 73 T CA 1.800 64.036 62.100 0.226 0.000 1.137 73 T CB -1.491 67.533 68.868 0.260 0.000 0.879 73 T HN -0.001 nan 8.240 nan 0.000 0.467 74 T N 1.952 116.593 114.554 0.144 0.000 2.777 74 T HA 0.171 4.521 4.350 -0.001 0.000 0.266 74 T C 2.464 177.104 174.700 -0.101 0.000 1.040 74 T CA 1.196 63.193 62.100 -0.171 0.000 1.141 74 T CB -0.877 67.871 68.868 -0.200 0.000 0.868 74 T HN 0.596 nan 8.240 nan 0.000 0.444 75 A N 1.418 124.245 122.820 0.012 0.000 1.883 75 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 75 A C 2.035 179.640 177.584 0.034 0.000 1.186 75 A CA 2.448 54.507 52.037 0.037 0.000 0.624 75 A CB -1.095 17.940 19.000 0.058 0.000 0.822 75 A HN 0.704 nan 8.150 nan 0.000 0.444 76 H N -0.211 118.858 119.070 -0.002 0.000 2.353 76 H HA 0.051 4.606 4.556 -0.001 0.000 0.300 76 H C 2.111 177.420 175.328 -0.032 0.000 1.090 76 H CA 1.990 58.038 56.048 -0.000 0.000 1.327 76 H CB -0.275 29.507 29.762 0.033 0.000 1.383 76 H HN 0.387 nan 8.280 nan 0.000 0.508 77 A N 1.053 123.823 122.820 -0.084 0.000 1.902 77 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 77 A C 2.609 179.939 177.584 -0.423 0.000 1.181 77 A CA 1.697 53.624 52.037 -0.183 0.000 0.623 77 A CB -0.878 18.117 19.000 -0.008 0.000 0.818 77 A HN 0.655 nan 8.150 nan 0.000 0.443 78 M N -0.307 119.069 119.600 -0.373 0.000 2.086 78 M HA -0.139 4.340 4.480 -0.001 0.000 0.261 78 M C 2.291 178.408 176.300 -0.304 0.000 1.067 78 M CA 1.793 56.849 55.300 -0.406 0.000 1.116 78 M CB -0.325 32.213 32.600 -0.103 0.000 1.348 78 M HN 0.415 nan 8.290 nan 0.000 0.407 79 A N 0.226 122.912 122.820 -0.222 0.000 1.908 79 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 79 A C 1.951 179.397 177.584 -0.229 0.000 1.181 79 A CA 2.175 54.103 52.037 -0.182 0.000 0.627 79 A CB -1.027 17.895 19.000 -0.130 0.000 0.818 79 A HN 0.747 nan 8.150 nan 0.000 0.445 80 E N -0.224 119.777 120.200 -0.332 0.000 2.085 80 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 80 E C 1.870 178.335 176.600 -0.224 0.000 0.994 80 E CA 1.488 57.717 56.400 -0.285 0.000 0.801 80 E CB -0.246 29.255 29.700 -0.332 0.000 0.743 80 E HN 0.688 nan 8.360 nan 0.000 0.453 81 I N 0.669 121.065 120.570 -0.289 0.000 2.226 81 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 81 I C 2.366 178.370 176.117 -0.188 0.000 1.100 81 I CA 0.885 62.027 61.300 -0.264 0.000 1.374 81 I CB -0.222 37.530 38.000 -0.413 0.000 1.057 81 I HN 0.193 nan 8.210 nan 0.000 0.413 82 I N 0.531 120.991 120.570 -0.184 0.000 2.163 82 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 82 I C 2.749 178.809 176.117 -0.095 0.000 1.085 82 I CA 1.555 62.779 61.300 -0.127 0.000 1.347 82 I CB -0.402 37.532 38.000 -0.111 0.000 1.044 82 I HN 0.156 nan 8.210 nan 0.000 0.408 83 R N 0.534 120.976 120.500 -0.097 0.000 2.066 83 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 83 R C 2.557 178.818 176.300 -0.064 0.000 1.131 83 R CA 1.733 57.790 56.100 -0.071 0.000 0.955 83 R CB -0.751 29.509 30.300 -0.067 0.000 0.851 83 R HN 0.469 nan 8.270 nan 0.000 0.432 84 E N 1.477 121.631 120.200 -0.077 0.000 2.107 84 E HA -0.076 4.273 4.350 -0.001 0.000 0.191 84 E C 1.886 178.455 176.600 -0.052 0.000 0.982 84 E CA 0.843 57.207 56.400 -0.060 0.000 0.809 84 E CB -0.274 29.387 29.700 -0.066 0.000 0.756 84 E HN 0.130 nan 8.360 nan 0.000 0.459 85 R N -0.076 120.386 120.500 -0.063 0.000 2.317 85 R HA 0.130 4.470 4.340 -0.001 0.000 0.208 85 R C -0.191 176.083 176.300 -0.042 0.000 0.914 85 R CA 0.466 56.536 56.100 -0.050 0.000 1.060 85 R CB -0.201 30.064 30.300 -0.057 0.000 1.015 85 R HN 0.632 nan 8.270 nan 0.000 0.498 86 E N 1.240 121.413 120.200 -0.045 0.000 2.230 86 E HA -0.187 4.162 4.350 -0.001 0.000 0.206 86 E C -0.487 176.090 176.600 -0.038 0.000 1.309 86 E CA 0.235 56.613 56.400 -0.037 0.000 0.697 86 E CB -0.800 28.884 29.700 -0.027 0.000 1.146 86 E HN 0.144 nan 8.360 nan 0.000 0.363 87 I N 1.471 122.012 120.570 -0.049 0.000 2.496 87 I HA -0.005 4.165 4.170 -0.001 0.000 0.285 87 I C 1.516 177.608 176.117 -0.041 0.000 1.080 87 I CA 0.381 61.651 61.300 -0.050 0.000 1.404 87 I CB 0.827 38.785 38.000 -0.070 0.000 1.403 87 I HN 0.225 nan 8.210 nan 0.000 0.539 88 D N 4.110 124.489 120.400 -0.035 0.000 2.269 88 D HA 0.023 4.663 4.640 -0.001 0.000 0.220 88 D C 0.205 176.486 176.300 -0.032 0.000 0.962 88 D CA 0.953 54.935 54.000 -0.030 0.000 0.884 88 D CB 0.410 41.193 40.800 -0.028 0.000 1.023 88 D HN 0.473 nan 8.370 nan 0.000 0.484 89 N N 0.790 119.470 118.700 -0.034 0.000 2.399 89 N HA 0.298 5.038 4.740 -0.001 0.000 0.295 89 N C -0.703 174.781 175.510 -0.043 0.000 1.048 89 N CA -0.319 52.711 53.050 -0.033 0.000 0.886 89 N CB 2.967 41.433 38.487 -0.036 0.000 1.185 89 N HN -0.199 nan 8.380 nan 0.000 0.487 90 V N 2.223 122.100 119.914 -0.061 0.000 2.357 90 V HA 0.267 4.386 4.120 -0.001 0.000 0.284 90 V C -0.861 175.158 176.094 -0.125 0.000 1.018 90 V CA -0.806 61.394 62.300 -0.168 0.000 0.841 90 V CB 1.351 33.002 31.823 -0.287 0.000 0.991 90 V HN 0.636 nan 8.190 nan 0.000 0.437 91 W N 7.556 128.658 121.300 -0.331 0.000 2.318 91 W HA 0.621 5.281 4.660 0.000 0.000 0.315 91 W C -1.145 175.219 176.519 -0.259 0.000 1.033 91 W CA -2.323 54.896 57.345 -0.211 0.000 1.275 91 W CB 0.939 30.332 29.460 -0.112 0.000 1.250 91 W HN 0.411 nan 8.180 nan 0.000 0.421 92 F N 5.206 125.281 119.950 0.209 0.000 2.444 92 F HA 0.296 4.823 4.527 -0.001 0.000 0.360 92 F C 1.715 177.469 175.800 -0.077 0.000 1.106 92 F CA 0.534 58.549 58.000 0.024 0.000 1.170 92 F CB 0.745 39.787 39.000 0.070 0.000 1.113 92 F HN 0.612 nan 8.300 nan 0.000 0.521 93 G N 2.885 111.620 108.800 -0.107 0.000 2.450 93 G HA2 0.096 4.056 3.960 -0.001 0.000 0.220 93 G HA3 0.096 4.056 3.960 -0.001 0.000 0.220 93 G C 0.305 175.350 174.900 0.242 0.000 1.130 93 G CA 0.791 45.816 45.100 -0.126 0.000 0.760 93 G HN 0.765 nan 8.290 nan 0.000 0.557 94 A N -1.269 121.695 122.820 0.241 0.000 2.381 94 A HA 0.781 5.101 4.320 -0.001 0.000 0.299 94 A C 0.905 178.614 177.584 0.209 0.000 1.049 94 A CA 0.430 52.648 52.037 0.301 0.000 0.715 94 A CB 1.488 20.616 19.000 0.213 0.000 1.222 94 A HN 0.704 nan 8.150 nan 0.000 0.428 95 A N 1.973 124.902 122.820 0.181 0.000 1.858 95 A HA 0.364 4.684 4.320 -0.001 0.000 0.216 95 A C 1.398 179.006 177.584 0.040 0.000 1.190 95 A CA 1.861 53.954 52.037 0.094 0.000 0.617 95 A CB -0.430 18.614 19.000 0.075 0.000 0.827 95 A HN 2.135 nan 8.150 nan 0.000 0.443 96 A N -0.204 122.665 122.820 0.082 0.000 2.288 96 A HA 0.594 4.914 4.320 -0.001 0.000 0.320 96 A C -1.295 176.309 177.584 0.034 0.000 1.217 96 A CA -1.146 50.915 52.037 0.041 0.000 0.840 96 A CB 0.622 19.654 19.000 0.053 0.000 1.179 96 A HN 0.288 nan 8.150 nan 0.000 0.504 97 P HA 0.129 nan 4.420 nan 0.000 0.259 97 P C 1.053 178.292 177.300 -0.101 0.000 1.233 97 P CA 0.161 63.238 63.100 -0.038 0.000 0.827 97 P CB 0.214 31.899 31.700 -0.025 0.000 1.154 98 L N 0.011 121.174 121.223 -0.099 0.000 2.191 98 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 98 L C 2.313 178.812 176.870 -0.618 0.000 1.103 98 L CA 1.237 55.978 54.840 -0.164 0.000 0.769 98 L CB -0.835 41.244 42.059 0.032 0.000 0.908 98 L HN -0.041 nan 8.230 nan 0.000 0.438 99 A N -0.284 122.084 122.820 -0.754 0.000 2.239 99 A HA -0.024 4.296 4.320 -0.001 0.000 0.209 99 A C 2.106 179.295 177.584 -0.658 0.000 1.171 99 A CA 0.602 51.898 52.037 -1.236 0.000 0.768 99 A CB -0.517 18.141 19.000 -0.571 0.000 0.790 99 A HN 0.399 nan 8.150 nan 0.000 0.478 100 L N -1.180 119.813 121.223 -0.383 0.000 2.362 100 L HA -0.075 4.265 4.340 -0.001 0.000 0.219 100 L C 2.092 178.863 176.870 -0.165 0.000 1.134 100 L CA 0.743 55.462 54.840 -0.202 0.000 0.807 100 L CB -0.351 41.637 42.059 -0.119 0.000 0.927 100 L HN 0.443 nan 8.230 nan 0.000 0.447 101 M N -1.061 118.406 119.600 -0.221 0.000 2.563 101 M HA 0.069 4.548 4.480 -0.001 0.000 0.231 101 M C 2.145 178.508 176.300 0.104 0.000 1.136 101 M CA 0.201 55.488 55.300 -0.022 0.000 1.026 101 M CB -0.130 32.526 32.600 0.094 0.000 1.597 101 M HN 0.230 nan 8.290 nan 0.000 0.495 102 A N 1.006 123.823 122.820 -0.004 0.000 1.933 102 A HA -0.054 4.266 4.320 -0.001 0.000 0.218 102 A C 2.314 179.970 177.584 0.120 0.000 1.175 102 A CA 2.006 54.154 52.037 0.185 0.000 0.628 102 A CB -1.258 17.800 19.000 0.097 0.000 0.814 102 A HN 0.539 nan 8.150 nan 0.000 0.444 103 G N -1.083 107.746 108.800 0.048 0.000 2.418 103 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 103 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 103 G C 1.580 176.505 174.900 0.041 0.000 1.158 103 G CA 1.658 46.776 45.100 0.030 0.000 0.771 103 G HN 0.430 nan 8.290 nan 0.000 0.545 104 T N 1.697 116.282 114.554 0.052 0.000 2.746 104 T HA 0.006 4.356 4.350 -0.001 0.000 0.267 104 T C 2.829 177.559 174.700 0.050 0.000 1.039 104 T CA 1.537 63.666 62.100 0.049 0.000 1.142 104 T CB -0.426 68.474 68.868 0.054 0.000 0.866 104 T HN 0.384 nan 8.240 nan 0.000 0.444 105 A N 1.820 124.694 122.820 0.090 0.000 1.892 105 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 105 A C 2.270 179.875 177.584 0.034 0.000 1.188 105 A CA 1.830 53.908 52.037 0.067 0.000 0.631 105 A CB -0.485 18.593 19.000 0.131 0.000 0.822 105 A HN 0.465 nan 8.150 nan 0.000 0.447 106 K N -0.830 119.599 120.400 0.047 0.000 2.097 106 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 106 K C 2.295 178.903 176.600 0.013 0.000 1.050 106 K CA 1.486 57.789 56.287 0.027 0.000 0.938 106 K CB -0.181 32.338 32.500 0.031 0.000 0.718 106 K HN 0.616 nan 8.250 nan 0.000 0.442 107 Q N -0.071 119.738 119.800 0.015 0.000 2.226 107 Q HA -0.091 4.249 4.340 -0.001 0.000 0.204 107 Q C 1.843 177.844 176.000 0.001 0.000 0.975 107 Q CA 1.300 57.108 55.803 0.009 0.000 0.866 107 Q CB -0.011 28.735 28.738 0.014 0.000 0.915 107 Q HN 0.303 nan 8.270 nan 0.000 0.440 108 A N -0.507 122.310 122.820 -0.005 0.000 2.169 108 A HA 0.265 4.585 4.320 -0.001 0.000 0.212 108 A C 1.499 179.067 177.584 -0.027 0.000 1.153 108 A CA 1.022 53.045 52.037 -0.023 0.000 0.756 108 A CB 0.080 19.054 19.000 -0.044 0.000 0.813 108 A HN 0.457 nan 8.150 nan 0.000 0.471 109 G N -2.548 106.242 108.800 -0.018 0.000 2.318 109 G HA2 0.226 4.185 3.960 -0.001 0.000 0.172 109 G HA3 0.226 4.185 3.960 -0.001 0.000 0.172 109 G C 0.359 175.248 174.900 -0.018 0.000 1.002 109 G CA -0.043 45.046 45.100 -0.018 0.000 0.697 109 G HN 1.355 nan 8.290 nan 0.000 0.483 110 A N 1.006 123.815 122.820 -0.017 0.000 2.488 110 A HA 0.625 4.945 4.320 -0.001 0.000 0.249 110 A C 1.489 179.071 177.584 -0.004 0.000 1.083 110 A CA 1.225 53.252 52.037 -0.016 0.000 0.768 110 A CB 0.411 19.401 19.000 -0.017 0.000 1.017 110 A HN 1.495 nan 8.150 nan 0.000 0.496 111 S N 1.073 116.769 115.700 -0.007 0.000 2.524 111 S HA 0.244 4.714 4.470 -0.001 0.000 0.215 111 S C 0.380 174.981 174.600 0.002 0.000 0.986 111 S CA 0.156 58.354 58.200 -0.002 0.000 0.911 111 S CB -0.007 63.188 63.200 -0.008 0.000 0.805 111 S HN 0.727 nan 8.310 nan 0.000 0.501 112 K N 0.835 121.235 120.400 -0.000 0.000 2.535 112 K HA 0.539 4.858 4.320 -0.001 0.000 0.251 112 K C -2.125 174.484 176.600 0.014 0.000 0.942 112 K CA -0.513 55.774 56.287 0.001 0.000 0.798 112 K CB 2.429 34.913 32.500 -0.026 0.000 1.267 112 K HN 0.031 nan 8.250 nan 0.000 0.434 113 V N 5.448 125.390 119.914 0.046 0.000 2.448 113 V HA 0.493 4.613 4.120 -0.001 0.000 0.295 113 V C -0.564 175.581 176.094 0.085 0.000 1.025 113 V CA -0.788 61.572 62.300 0.100 0.000 0.859 113 V CB 1.381 33.320 31.823 0.194 0.000 0.988 113 V HN 0.597 nan 8.190 nan 0.000 0.431 114 I N 3.817 124.450 120.570 0.105 0.000 2.530 114 I HA 0.864 5.034 4.170 -0.001 0.000 0.297 114 I C 0.172 176.476 176.117 0.311 0.000 1.011 114 I CA -0.364 60.975 61.300 0.065 0.000 1.107 114 I CB 2.054 39.950 38.000 -0.173 0.000 1.285 114 I HN 0.683 nan 8.210 nan 0.000 0.436 115 A N 3.320 126.279 122.820 0.232 0.000 2.422 115 A HA 0.814 5.134 4.320 -0.001 0.000 0.302 115 A C -0.886 176.828 177.584 0.216 0.000 1.041 115 A CA -0.536 51.696 52.037 0.325 0.000 0.708 115 A CB 1.394 20.505 19.000 0.185 0.000 1.257 115 A HN 0.540 nan 8.150 nan 0.000 0.414 116 S N 1.391 117.285 115.700 0.323 0.000 2.480 116 S HA 0.638 5.108 4.470 -0.001 0.000 0.286 116 S C 0.514 175.073 174.600 -0.068 0.000 1.180 116 S CA -0.126 58.176 58.200 0.171 0.000 1.075 116 S CB 1.073 64.497 63.200 0.373 0.000 0.996 116 S HN 1.033 nan 8.310 nan 0.000 0.487 117 T N 0.230 114.701 114.554 -0.137 0.000 2.934 117 T HA 0.468 4.818 4.350 -0.001 0.000 0.283 117 T C 0.092 174.598 174.700 -0.323 0.000 1.005 117 T CA -0.661 61.398 62.100 -0.067 0.000 1.041 117 T CB 0.761 69.725 68.868 0.162 0.000 1.042 117 T HN 0.707 nan 8.240 nan 0.000 0.505 118 H N -0.006 119.207 119.070 0.238 0.000 3.233 118 H HA 0.307 4.863 4.556 -0.000 0.000 0.263 118 H C 1.594 177.018 175.328 0.161 0.000 1.168 118 H CA 0.239 56.381 56.048 0.156 0.000 1.159 118 H CB 0.973 30.791 29.762 0.093 0.000 1.593 118 H HN 1.045 nan 8.280 nan 0.000 0.580 119 G N 1.105 110.085 108.800 0.300 0.000 2.192 119 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.193 119 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.193 119 G C 0.383 175.182 174.900 -0.168 0.000 0.999 119 G CA -0.140 45.002 45.100 0.069 0.000 0.659 119 G HN 0.487 nan 8.290 nan 0.000 0.503 120 H N -0.121 119.118 119.070 0.281 0.000 2.674 120 H HA 0.277 4.832 4.556 -0.000 0.000 0.274 120 H C 1.737 177.155 175.328 0.149 0.000 1.121 120 H CA 0.525 56.674 56.048 0.169 0.000 1.132 120 H CB 0.736 30.556 29.762 0.096 0.000 1.606 120 H HN 0.446 nan 8.280 nan 0.000 0.558 121 E N 0.794 121.166 120.200 0.287 0.000 2.150 121 E HA -0.007 4.343 4.350 -0.001 0.000 0.193 121 E C 0.422 177.075 176.600 0.088 0.000 0.985 121 E CA 0.567 57.063 56.400 0.160 0.000 0.814 121 E CB 0.540 30.303 29.700 0.106 0.000 0.752 121 E HN 0.020 nan 8.360 nan 0.000 0.466 122 V N -0.061 119.957 119.914 0.173 0.000 2.487 122 V HA 0.793 4.913 4.120 -0.001 0.000 0.298 122 V C 0.225 176.361 176.094 0.070 0.000 1.028 122 V CA -0.157 62.207 62.300 0.107 0.000 0.860 122 V CB 1.496 33.427 31.823 0.180 0.000 0.991 122 V HN 0.254 nan 8.190 nan 0.000 0.427 123 G N 3.073 111.883 108.800 0.017 0.000 2.356 123 G HA2 0.254 4.214 3.960 -0.001 0.000 0.294 123 G HA3 0.254 4.214 3.960 -0.001 0.000 0.294 123 G C -0.238 174.652 174.900 -0.017 0.000 1.423 123 G CA -0.163 44.908 45.100 -0.048 0.000 0.806 123 G HN 0.787 nan 8.290 nan 0.000 0.527 124 W N -0.016 121.313 121.300 0.047 0.000 2.699 124 W HA 0.106 4.766 4.660 -0.001 0.000 0.249 124 W C 1.160 177.698 176.519 0.031 0.000 1.280 124 W CA 1.079 58.444 57.345 0.032 0.000 1.345 124 W CB -0.573 28.903 29.460 0.028 0.000 1.128 124 W HN 0.666 nan 8.180 nan 0.000 0.642 125 S N 0.297 115.908 115.700 -0.148 0.000 2.577 125 S HA 0.171 4.640 4.470 -0.001 0.000 0.219 125 S C 0.745 175.327 174.600 -0.030 0.000 0.962 125 S CA -0.444 57.709 58.200 -0.078 0.000 0.921 125 S CB -0.665 62.305 63.200 -0.384 0.000 0.789 125 S HN 0.108 nan 8.310 nan 0.000 0.497 126 M N 2.236 121.828 119.600 -0.014 0.000 2.255 126 M HA 0.087 4.567 4.480 -0.001 0.000 0.356 126 M C 0.001 176.311 176.300 0.018 0.000 1.338 126 M CA 0.476 55.775 55.300 -0.001 0.000 0.962 126 M CB 0.090 32.693 32.600 0.005 0.000 1.877 126 M HN 0.306 nan 8.290 nan 0.000 0.463 127 L N 4.824 126.051 121.223 0.006 0.000 2.464 127 L HA 0.279 4.619 4.340 -0.001 0.000 0.264 127 L C -1.956 174.919 176.870 0.009 0.000 1.199 127 L CA -2.051 52.796 54.840 0.012 0.000 0.818 127 L CB -0.135 41.928 42.059 0.006 0.000 1.102 127 L HN 0.391 nan 8.230 nan 0.000 0.473 128 P HA 0.095 nan 4.420 nan 0.000 0.267 128 P C 0.634 177.934 177.300 -0.001 0.000 1.205 128 P CA 0.608 63.713 63.100 0.008 0.000 0.765 128 P CB 0.832 32.538 31.700 0.011 0.000 0.828 129 G N 2.320 111.115 108.800 -0.007 0.000 2.217 129 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.246 129 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.246 129 G C 1.351 176.236 174.900 -0.026 0.000 0.990 129 G CA 0.583 45.674 45.100 -0.015 0.000 0.627 129 G HN 0.590 nan 8.290 nan 0.000 0.522 130 S N 0.304 115.987 115.700 -0.028 0.000 2.383 130 S HA 0.025 4.495 4.470 -0.001 0.000 0.227 130 S C 2.110 176.663 174.600 -0.077 0.000 1.026 130 S CA 1.454 59.627 58.200 -0.045 0.000 0.981 130 S CB -0.301 62.878 63.200 -0.035 0.000 0.818 130 S HN 0.622 nan 8.310 nan 0.000 0.472 131 R N 0.688 121.145 120.500 -0.070 0.000 2.075 131 R HA -0.026 4.313 4.340 -0.001 0.000 0.232 131 R C 2.686 178.928 176.300 -0.097 0.000 1.126 131 R CA 1.530 57.572 56.100 -0.097 0.000 0.963 131 R CB -0.421 29.840 30.300 -0.065 0.000 0.858 131 R HN 0.439 nan 8.270 nan 0.000 0.435 132 Q N 0.643 120.405 119.800 -0.063 0.000 2.167 132 Q HA -0.057 4.283 4.340 -0.001 0.000 0.202 132 Q C 1.871 177.837 176.000 -0.056 0.000 0.970 132 Q CA 1.732 57.505 55.803 -0.051 0.000 0.855 132 Q CB -0.058 28.660 28.738 -0.032 0.000 0.911 132 Q HN 0.111 nan 8.270 nan 0.000 0.438 133 S N -0.093 115.570 115.700 -0.062 0.000 2.368 133 S HA -0.084 4.385 4.470 -0.001 0.000 0.225 133 S C 1.709 176.264 174.600 -0.075 0.000 1.030 133 S CA 1.265 59.428 58.200 -0.060 0.000 0.999 133 S CB -0.292 62.875 63.200 -0.055 0.000 0.844 133 S HN 0.422 nan 8.310 nan 0.000 0.459 134 L N 0.644 121.780 121.223 -0.146 0.000 2.141 134 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 134 L C 2.749 179.530 176.870 -0.148 0.000 1.094 134 L CA 0.775 55.457 54.840 -0.262 0.000 0.763 134 L CB -0.408 41.258 42.059 -0.656 0.000 0.908 134 L HN 0.144 nan 8.230 nan 0.000 0.437 135 R N 0.628 121.065 120.500 -0.106 0.000 2.066 135 R HA -0.149 4.190 4.340 -0.001 0.000 0.232 135 R C 2.181 178.488 176.300 0.011 0.000 1.131 135 R CA 1.276 57.361 56.100 -0.026 0.000 0.955 135 R CB -0.491 29.791 30.300 -0.031 0.000 0.851 135 R HN 0.309 nan 8.270 nan 0.000 0.432 136 K N 0.544 120.938 120.400 -0.011 0.000 2.032 136 K HA -0.116 4.203 4.320 -0.001 0.000 0.209 136 K C 2.184 178.786 176.600 0.003 0.000 1.048 136 K CA 1.504 57.783 56.287 -0.012 0.000 0.927 136 K CB -0.215 32.269 32.500 -0.027 0.000 0.712 136 K HN 0.052 nan 8.250 nan 0.000 0.441 137 I N 0.591 121.174 120.570 0.023 0.000 2.163 137 I HA -0.230 3.940 4.170 -0.001 0.000 0.243 137 I C 2.449 178.628 176.117 0.103 0.000 1.085 137 I CA 1.513 62.841 61.300 0.047 0.000 1.347 137 I CB -0.608 37.447 38.000 0.092 0.000 1.044 137 I HN 0.431 nan 8.210 nan 0.000 0.408 138 G N 0.381 109.298 108.800 0.195 0.000 2.440 138 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.218 138 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.218 138 G C 1.732 176.733 174.900 0.167 0.000 1.154 138 G CA 1.583 46.808 45.100 0.208 0.000 0.767 138 G HN 0.474 nan 8.290 nan 0.000 0.552 139 T N -2.005 112.590 114.554 0.068 0.000 2.915 139 T HA 0.192 4.542 4.350 -0.001 0.000 0.269 139 T C 2.068 176.623 174.700 -0.241 0.000 1.071 139 T CA 2.067 64.118 62.100 -0.083 0.000 1.132 139 T CB -0.138 68.677 68.868 -0.089 0.000 0.878 139 T HN 0.460 nan 8.240 nan 0.000 0.479 140 E N 0.399 120.560 120.200 -0.065 0.000 2.431 140 E HA 0.473 4.823 4.350 -0.001 0.000 0.200 140 E C 0.935 177.576 176.600 0.067 0.000 0.995 140 E CA -0.011 56.363 56.400 -0.043 0.000 0.915 140 E CB -0.071 29.616 29.700 -0.021 0.000 0.930 140 E HN 0.517 nan 8.360 nan 0.000 0.496 141 V N 2.506 122.488 119.914 0.114 0.000 2.465 141 V HA 0.148 4.268 4.120 -0.001 0.000 0.279 141 V C 0.313 176.485 176.094 0.129 0.000 1.045 141 V CA -0.329 62.035 62.300 0.107 0.000 0.938 141 V CB 1.665 33.503 31.823 0.025 0.000 0.986 141 V HN 0.421 nan 8.190 nan 0.000 0.467 142 D N 2.747 123.185 120.400 0.064 0.000 2.216 142 D HA 0.041 4.680 4.640 -0.001 0.000 0.208 142 D C 0.237 176.430 176.300 -0.177 0.000 0.960 142 D CA 1.152 55.123 54.000 -0.048 0.000 0.861 142 D CB 0.736 41.530 40.800 -0.010 0.000 0.985 142 D HN 0.339 nan 8.370 nan 0.000 0.493 143 V N 1.947 121.769 119.914 -0.153 0.000 2.483 143 V HA 0.291 4.411 4.120 -0.001 0.000 0.297 143 V C -0.321 175.635 176.094 -0.230 0.000 1.027 143 V CA -0.611 61.566 62.300 -0.206 0.000 0.855 143 V CB 2.395 34.112 31.823 -0.175 0.000 0.995 143 V HN -0.030 nan 8.190 nan 0.000 0.424 144 L N 5.005 126.006 121.223 -0.370 0.000 2.272 144 L HA 0.562 4.902 4.340 -0.001 0.000 0.289 144 L C 0.682 177.488 176.870 -0.107 0.000 1.032 144 L CA -0.198 54.429 54.840 -0.355 0.000 0.810 144 L CB 2.021 43.620 42.059 -0.768 0.000 1.205 144 L HN 0.823 nan 8.230 nan 0.000 0.422 145 T N 0.126 114.667 114.554 -0.023 0.000 2.909 145 T HA 0.558 4.908 4.350 -0.001 0.000 0.286 145 T C -0.620 174.204 174.700 0.207 0.000 1.002 145 T CA -0.468 61.658 62.100 0.044 0.000 1.074 145 T CB 1.198 70.032 68.868 -0.058 0.000 0.984 145 T HN 0.420 nan 8.240 nan 0.000 0.495 146 Y N 1.019 121.429 120.300 0.183 0.000 2.524 146 Y HA 0.598 5.148 4.550 -0.001 0.000 0.347 146 Y C 0.729 176.792 175.900 0.271 0.000 1.005 146 Y CA -1.692 56.560 58.100 0.252 0.000 1.025 146 Y CB 1.076 39.746 38.460 0.350 0.000 1.275 146 Y HN 0.620 nan 8.280 nan 0.000 0.460 147 I N -0.008 120.750 120.570 0.313 0.000 2.876 147 I HA 0.263 4.433 4.170 -0.001 0.000 0.264 147 I C 0.159 176.530 176.117 0.423 0.000 1.204 147 I CA 0.606 62.073 61.300 0.277 0.000 1.485 147 I CB 0.072 38.209 38.000 0.228 0.000 1.103 147 I HN 0.562 nan 8.210 nan 0.000 0.446 148 S N -0.787 115.213 115.700 0.500 0.000 2.565 148 S HA 0.269 4.738 4.470 -0.001 0.000 0.269 148 S C 0.148 174.957 174.600 0.348 0.000 1.153 148 S CA -0.617 57.838 58.200 0.425 0.000 0.835 148 S CB 1.855 65.243 63.200 0.313 0.000 1.122 148 S HN 0.136 nan 8.310 nan 0.000 0.462 149 Q N 0.561 120.457 119.800 0.160 0.000 2.135 149 Q HA -0.106 4.234 4.340 -0.001 0.000 0.204 149 Q C 1.632 177.609 176.000 -0.038 0.000 0.981 149 Q CA 2.340 58.154 55.803 0.019 0.000 0.856 149 Q CB -0.769 27.961 28.738 -0.014 0.000 0.902 149 Q HN 0.827 nan 8.270 nan 0.000 0.425 150 Y N 0.520 120.779 120.300 -0.069 0.000 2.097 150 Y HA -0.290 4.260 4.550 -0.001 0.000 0.282 150 Y C 2.366 178.133 175.900 -0.221 0.000 1.152 150 Y CA 2.788 60.823 58.100 -0.108 0.000 1.136 150 Y CB -0.734 37.695 38.460 -0.051 0.000 0.975 150 Y HN 0.380 nan 8.280 nan 0.000 0.498 151 T N -1.127 113.363 114.554 -0.105 0.000 2.746 151 T HA -0.253 4.097 4.350 -0.001 0.000 0.267 151 T C 1.837 175.881 174.700 -1.093 0.000 1.039 151 T CA 1.424 63.214 62.100 -0.516 0.000 1.142 151 T CB -1.055 67.643 68.868 -0.283 0.000 0.866 151 T HN 0.341 nan 8.240 nan 0.000 0.444 152 L N 1.456 122.237 121.223 -0.737 0.000 2.013 152 L HA -0.031 4.309 4.340 -0.001 0.000 0.212 152 L C 2.868 179.380 176.870 -0.595 0.000 1.073 152 L CA 1.715 56.087 54.840 -0.781 0.000 0.753 152 L CB -0.636 40.866 42.059 -0.929 0.000 0.890 152 L HN 0.192 nan 8.230 nan 0.000 0.432 153 R N -0.853 119.355 120.500 -0.486 0.000 2.091 153 R HA -0.210 4.130 4.340 -0.001 0.000 0.238 153 R C 2.392 178.474 176.300 -0.363 0.000 1.136 153 R CA 1.910 57.787 56.100 -0.372 0.000 0.959 153 R CB -0.657 29.443 30.300 -0.333 0.000 0.856 153 R HN 0.492 nan 8.270 nan 0.000 0.437 154 R N 0.686 120.881 120.500 -0.508 0.000 2.120 154 R HA -0.113 4.226 4.340 -0.001 0.000 0.234 154 R C 1.983 178.208 176.300 -0.124 0.000 1.123 154 R CA 1.652 57.525 56.100 -0.378 0.000 0.975 154 R CB -1.399 28.613 30.300 -0.481 0.000 0.866 154 R HN 0.132 nan 8.270 nan 0.000 0.446 155 F N 0.516 120.406 119.950 -0.101 0.000 2.216 155 F HA 0.079 4.605 4.527 -0.001 0.000 0.300 155 F C 1.541 177.308 175.800 -0.056 0.000 1.085 155 F CA 0.456 58.446 58.000 -0.017 0.000 1.326 155 F CB -0.618 38.461 39.000 0.131 0.000 1.027 155 F HN 0.301 nan 8.300 nan 0.000 0.497 156 K N -0.466 119.968 120.400 0.057 0.000 1.779 156 K HA -0.311 4.008 4.320 -0.001 0.000 0.128 156 K C 0.949 177.571 176.600 0.036 0.000 1.288 156 K CA 1.866 58.151 56.287 -0.002 0.000 0.398 156 K CB -1.552 30.944 32.500 -0.008 0.000 0.609 156 K HN 0.275 nan 8.250 nan 0.000 0.874 157 S N 0.026 115.748 115.700 0.037 0.000 2.561 157 S HA 0.483 4.953 4.470 -0.001 0.000 0.245 157 S C 1.197 175.837 174.600 0.068 0.000 1.001 157 S CA 0.279 58.521 58.200 0.070 0.000 1.002 157 S CB 1.023 64.251 63.200 0.046 0.000 0.805 157 S HN 0.606 nan 8.310 nan 0.000 0.458 158 A N 1.559 124.392 122.820 0.021 0.000 1.917 158 A HA 0.001 4.321 4.320 -0.001 0.000 0.219 158 A C 1.434 178.874 177.584 -0.239 0.000 1.182 158 A CA 1.359 53.297 52.037 -0.166 0.000 0.633 158 A CB -0.931 17.865 19.000 -0.339 0.000 0.819 158 A HN 0.644 nan 8.150 nan 0.000 0.448 159 F N -0.717 119.279 119.950 0.078 0.000 2.789 159 F HA 0.378 4.904 4.527 -0.001 0.000 0.300 159 F C 1.706 177.566 175.800 0.099 0.000 1.132 159 F CA 0.567 58.614 58.000 0.079 0.000 1.404 159 F CB -0.203 38.870 39.000 0.123 0.000 1.114 159 F HN 0.524 nan 8.300 nan 0.000 0.584 160 G N 0.626 109.573 108.800 0.245 0.000 2.681 160 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.220 160 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.220 160 G C 0.762 175.791 174.900 0.215 0.000 1.353 160 G CA -0.050 45.157 45.100 0.179 0.000 0.872 160 G HN 0.424 nan 8.290 nan 0.000 0.557 161 S N -1.426 114.373 115.700 0.165 0.000 2.575 161 S HA 0.102 4.571 4.470 -0.001 0.000 0.215 161 S C 1.485 176.173 174.600 0.146 0.000 0.966 161 S CA 1.127 59.418 58.200 0.151 0.000 0.911 161 S CB -0.074 63.190 63.200 0.106 0.000 0.780 161 S HN 0.960 nan 8.310 nan 0.000 0.514 162 H N 3.121 122.227 119.070 0.060 0.000 2.343 162 H HA 0.196 4.752 4.556 -0.000 0.000 0.303 162 H C -1.765 173.548 175.328 -0.025 0.000 1.068 162 H CA 0.651 56.710 56.048 0.019 0.000 1.359 162 H CB -0.883 28.884 29.762 0.009 0.000 1.402 162 H HN 0.377 nan 8.280 nan 0.000 0.515 163 P HA 0.080 nan 4.420 nan 0.000 0.277 163 P C -0.510 176.548 177.300 -0.402 0.000 1.240 163 P CA -0.000 62.846 63.100 -0.422 0.000 0.798 163 P CB 1.103 32.528 31.700 -0.458 0.000 0.979 164 T N -0.871 113.471 114.554 -0.354 0.000 2.889 164 T HA 0.496 4.846 4.350 -0.001 0.000 0.291 164 T C -0.281 174.251 174.700 -0.280 0.000 0.995 164 T CA -0.415 61.573 62.100 -0.187 0.000 1.092 164 T CB -0.120 68.681 68.868 -0.112 0.000 0.954 164 T HN 0.102 nan 8.240 nan 0.000 0.506 165 F N 1.620 121.587 119.950 0.028 0.000 2.404 165 F HA 0.423 4.950 4.527 -0.001 0.000 0.354 165 F C 0.863 176.817 175.800 0.257 0.000 1.122 165 F CA -0.799 57.289 58.000 0.147 0.000 1.080 165 F CB 1.317 40.376 39.000 0.100 0.000 1.131 165 F HN 0.481 nan 8.300 nan 0.000 0.471 166 E N 2.175 122.570 120.200 0.325 0.000 2.176 166 E HA 0.092 4.442 4.350 -0.001 0.000 0.267 166 E C -0.815 175.684 176.600 -0.169 0.000 0.893 166 E CA -0.563 55.899 56.400 0.103 0.000 0.761 166 E CB 1.638 31.307 29.700 -0.052 0.000 1.133 166 E HN 0.644 nan 8.360 nan 0.000 0.409 167 H N 3.678 122.478 119.070 -0.450 0.000 2.955 167 H HA 0.164 4.720 4.556 -0.000 0.000 0.290 167 H C -0.788 174.290 175.328 -0.416 0.000 1.047 167 H CA -0.285 55.257 56.048 -0.844 0.000 1.484 167 H CB 0.485 29.958 29.762 -0.482 0.000 1.501 167 H HN 0.132 nan 8.280 nan 0.000 0.521 168 L N 9.921 130.839 121.223 -0.507 0.000 2.502 168 L HA 0.304 4.643 4.340 -0.001 0.000 0.249 168 L C -2.474 174.372 176.870 -0.040 0.000 1.446 168 L CA -1.629 53.027 54.840 -0.306 0.000 0.887 168 L CB 1.176 43.055 42.059 -0.300 0.000 1.126 168 L HN 0.569 nan 8.230 nan 0.000 0.509 169 P HA 0.158 nan 4.420 nan 0.000 0.277 169 P C -0.193 177.389 177.300 0.469 0.000 1.271 169 P CA -0.294 62.942 63.100 0.226 0.000 0.795 169 P CB 0.991 32.810 31.700 0.199 0.000 1.101 170 S N -0.705 115.306 115.700 0.519 0.000 2.572 170 S HA 0.386 4.856 4.470 -0.001 0.000 0.279 170 S C 0.786 175.255 174.600 -0.217 0.000 1.341 170 S CA -0.121 58.254 58.200 0.292 0.000 1.043 170 S CB -0.645 62.760 63.200 0.341 0.000 0.887 170 S HN 0.605 nan 8.310 nan 0.000 0.516 171 G N 1.511 109.511 108.800 -1.334 0.000 2.543 171 G HA2 0.554 4.513 3.960 -0.001 0.000 0.290 171 G HA3 0.554 4.513 3.960 -0.001 0.000 0.290 171 G C -0.809 173.282 174.900 -1.348 0.000 1.310 171 G CA -0.434 43.689 45.100 -1.629 0.000 1.025 171 G HN 0.878 nan 8.290 nan 0.000 0.502 172 V N -0.685 118.624 119.914 -1.008 0.000 2.925 172 V HA 0.443 4.563 4.120 -0.001 0.000 0.311 172 V C -1.333 174.684 176.094 -0.129 0.000 1.104 172 V CA -0.904 61.144 62.300 -0.420 0.000 0.954 172 V CB 2.154 33.794 31.823 -0.306 0.000 1.022 172 V HN 0.725 nan 8.190 nan 0.000 0.427 173 D N 3.967 124.561 120.400 0.323 0.000 2.402 173 D HA 0.119 4.759 4.640 -0.001 0.000 0.235 173 D C 1.027 177.523 176.300 0.326 0.000 1.226 173 D CA 0.264 54.541 54.000 0.462 0.000 0.918 173 D CB 1.452 42.565 40.800 0.522 0.000 1.043 173 D HN 0.555 nan 8.370 nan 0.000 0.506 174 V N 1.378 121.410 119.914 0.197 0.000 3.510 174 V HA 0.046 4.165 4.120 -0.001 0.000 0.270 174 V C 1.972 178.144 176.094 0.130 0.000 1.201 174 V CA 1.457 63.842 62.300 0.142 0.000 1.166 174 V CB -0.932 30.939 31.823 0.079 0.000 0.825 174 V HN 0.385 nan 8.190 nan 0.000 0.484 175 K N 0.631 121.113 120.400 0.137 0.000 2.242 175 K HA 0.311 4.630 4.320 -0.001 0.000 0.200 175 K C 2.382 179.019 176.600 0.062 0.000 1.050 175 K CA 1.203 57.543 56.287 0.089 0.000 0.981 175 K CB -0.809 31.738 32.500 0.078 0.000 0.795 175 K HN 0.623 nan 8.250 nan 0.000 0.477 176 R N 0.080 120.630 120.500 0.084 0.000 2.062 176 R HA 0.327 4.667 4.340 -0.001 0.000 0.226 176 R C 0.811 176.977 176.300 -0.223 0.000 1.125 176 R CA 1.052 57.116 56.100 -0.059 0.000 0.966 176 R CB -0.698 29.589 30.300 -0.022 0.000 0.861 176 R HN 0.467 nan 8.270 nan 0.000 0.433 177 F N 1.019 120.970 119.950 0.001 0.000 2.375 177 F HA 0.511 5.037 4.527 -0.000 0.000 0.362 177 F C 0.564 176.349 175.800 -0.026 0.000 1.129 177 F CA 0.080 58.055 58.000 -0.041 0.000 1.154 177 F CB 1.804 40.774 39.000 -0.051 0.000 1.205 177 F HN 0.104 nan 8.300 nan 0.000 0.513 178 T N 4.342 118.946 114.554 0.084 0.000 2.894 178 T HA 0.456 4.806 4.350 -0.001 0.000 0.309 178 T C -2.862 171.859 174.700 0.035 0.000 1.208 178 T CA -2.133 59.999 62.100 0.054 0.000 1.016 178 T CB 1.659 70.543 68.868 0.027 0.000 1.192 178 T HN 0.058 nan 8.240 nan 0.000 0.491 179 P HA 0.368 nan 4.420 nan 0.000 0.268 179 P C -1.108 176.201 177.300 0.016 0.000 1.205 179 P CA -0.288 62.828 63.100 0.027 0.000 0.771 179 P CB 0.322 32.038 31.700 0.027 0.000 0.858 180 A N 2.723 125.552 122.820 0.015 0.000 2.425 180 A HA 0.416 4.735 4.320 -0.001 0.000 0.249 180 A C 0.683 178.273 177.584 0.010 0.000 1.084 180 A CA -0.083 51.959 52.037 0.008 0.000 0.781 180 A CB -0.532 18.475 19.000 0.011 0.000 1.019 180 A HN 0.635 nan 8.150 nan 0.000 0.490 181 T N 0.694 115.252 114.554 0.006 0.000 2.900 181 T HA 0.290 4.640 4.350 -0.001 0.000 0.307 181 T C -1.803 172.902 174.700 0.010 0.000 1.065 181 T CA -0.865 61.239 62.100 0.007 0.000 1.105 181 T CB 0.385 69.255 68.868 0.004 0.000 0.979 181 T HN 0.383 nan 8.240 nan 0.000 0.544 182 P HA -0.044 nan 4.420 nan 0.000 0.216 182 P C 1.874 179.181 177.300 0.012 0.000 1.150 182 P CA 1.959 65.067 63.100 0.013 0.000 0.843 182 P CB -0.280 31.427 31.700 0.012 0.000 0.787 183 E N 0.328 120.533 120.200 0.009 0.000 2.051 183 E HA -0.241 4.108 4.350 -0.001 0.000 0.192 183 E C 1.744 178.348 176.600 0.006 0.000 0.991 183 E CA 1.796 58.200 56.400 0.007 0.000 0.799 183 E CB -1.701 28.002 29.700 0.004 0.000 0.748 183 E HN 0.296 nan 8.360 nan 0.000 0.449 184 D N -0.158 120.244 120.400 0.004 0.000 2.117 184 D HA -0.111 4.529 4.640 -0.001 0.000 0.198 184 D C 1.929 178.233 176.300 0.007 0.000 0.982 184 D CA 1.549 55.549 54.000 0.001 0.000 0.828 184 D CB -0.231 40.566 40.800 -0.005 0.000 0.967 184 D HN 0.509 nan 8.370 nan 0.000 0.464 185 K N 0.711 121.119 120.400 0.013 0.000 2.063 185 K HA -0.103 4.217 4.320 -0.001 0.000 0.208 185 K C 2.126 178.744 176.600 0.030 0.000 1.048 185 K CA 1.227 57.529 56.287 0.024 0.000 0.928 185 K CB 0.071 32.587 32.500 0.026 0.000 0.713 185 K HN -0.114 nan 8.250 nan 0.000 0.442 186 S N 0.363 116.078 115.700 0.025 0.000 2.368 186 S HA -0.125 4.345 4.470 -0.001 0.000 0.225 186 S C 1.968 176.581 174.600 0.020 0.000 1.030 186 S CA 1.161 59.377 58.200 0.027 0.000 0.999 186 S CB -0.222 62.990 63.200 0.020 0.000 0.844 186 S HN 0.535 nan 8.310 nan 0.000 0.459 187 A N 1.232 124.058 122.820 0.010 0.000 1.898 187 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 187 A C 2.322 179.903 177.584 -0.005 0.000 1.181 187 A CA 1.971 54.008 52.037 0.001 0.000 0.620 187 A CB -1.353 17.645 19.000 -0.004 0.000 0.819 187 A HN 0.468 nan 8.150 nan 0.000 0.442 188 T N -0.185 114.370 114.554 0.000 0.000 2.720 188 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 188 T C 2.065 176.762 174.700 -0.006 0.000 1.037 188 T CA 1.791 63.889 62.100 -0.004 0.000 1.144 188 T CB -0.248 68.627 68.868 0.010 0.000 0.864 188 T HN 0.513 nan 8.240 nan 0.000 0.444 189 R N 0.961 121.481 120.500 0.033 0.000 2.092 189 R HA -0.028 4.312 4.340 -0.001 0.000 0.231 189 R C 3.033 179.331 176.300 -0.004 0.000 1.119 189 R CA 1.659 57.803 56.100 0.073 0.000 0.970 189 R CB -0.357 30.028 30.300 0.142 0.000 0.864 189 R HN 0.427 nan 8.270 nan 0.000 0.440 190 K N 1.236 121.632 120.400 -0.007 0.000 2.057 190 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 190 K C 2.285 178.838 176.600 -0.078 0.000 1.049 190 K CA 2.070 58.340 56.287 -0.027 0.000 0.931 190 K CB -1.190 31.304 32.500 -0.010 0.000 0.714 190 K HN 0.397 nan 8.250 nan 0.000 0.440 191 K N 0.824 121.175 120.400 -0.081 0.000 2.209 191 K HA 0.170 4.490 4.320 -0.001 0.000 0.204 191 K C 2.201 178.697 176.600 -0.174 0.000 1.048 191 K CA 1.467 57.695 56.287 -0.098 0.000 0.940 191 K CB -0.634 31.824 32.500 -0.069 0.000 0.729 191 K HN 0.464 nan 8.250 nan 0.000 0.451 192 L N -1.306 119.749 121.223 -0.279 0.000 2.492 192 L HA 0.201 4.541 4.340 -0.001 0.000 0.223 192 L C 1.765 178.172 176.870 -0.772 0.000 1.132 192 L CA 0.651 55.160 54.840 -0.553 0.000 0.850 192 L CB 0.250 41.864 42.059 -0.743 0.000 0.966 192 L HN 0.608 nan 8.230 nan 0.000 0.454 193 G N -0.825 107.701 108.800 -0.457 0.000 2.141 193 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.231 193 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.231 193 G C 0.007 174.865 174.900 -0.071 0.000 0.984 193 G CA -0.387 44.558 45.100 -0.259 0.000 0.660 193 G HN 0.088 nan 8.290 nan 0.000 0.525 194 F N 0.880 120.830 119.950 -0.000 0.000 2.461 194 F HA 0.854 5.381 4.527 -0.001 0.000 0.337 194 F C 1.098 176.898 175.800 -0.000 0.000 1.079 194 F CA -0.698 57.301 58.000 -0.001 0.000 1.032 194 F CB 0.785 39.783 39.000 -0.002 0.000 1.327 194 F HN 0.246 nan 8.300 nan 0.000 0.491 195 T N -3.431 111.256 114.554 0.221 0.000 2.841 195 T HA 0.321 4.671 4.350 -0.001 0.000 0.276 195 T C 0.295 175.050 174.700 0.091 0.000 1.003 195 T CA -0.617 61.551 62.100 0.113 0.000 0.995 195 T CB 1.089 69.999 68.868 0.070 0.000 1.260 195 T HN 0.316 nan 8.240 nan 0.000 0.581 196 D N 0.826 121.259 120.400 0.056 0.000 2.309 196 D HA -0.009 4.631 4.640 -0.001 0.000 0.212 196 D C 2.020 178.334 176.300 0.023 0.000 0.968 196 D CA 1.767 55.790 54.000 0.039 0.000 0.882 196 D CB -0.328 40.489 40.800 0.028 0.000 0.918 196 D HN 0.826 nan 8.370 nan 0.000 0.503 197 T N -3.170 111.393 114.554 0.015 0.000 3.040 197 T HA 0.057 4.407 4.350 -0.001 0.000 0.250 197 T C 0.855 175.537 174.700 -0.031 0.000 1.058 197 T CA -0.275 61.822 62.100 -0.005 0.000 0.988 197 T CB -0.167 68.699 68.868 -0.004 0.000 0.993 197 T HN -0.194 nan 8.240 nan 0.000 0.519 198 T N 5.285 119.814 114.554 -0.042 0.000 2.867 198 T HA 0.259 4.608 4.350 -0.001 0.000 0.297 198 T C -2.661 171.951 174.700 -0.147 0.000 0.989 198 T CA -0.713 61.307 62.100 -0.133 0.000 1.159 198 T CB 0.539 69.268 68.868 -0.232 0.000 0.928 198 T HN 0.212 nan 8.240 nan 0.000 0.538 199 P HA 0.326 nan 4.420 nan 0.000 0.276 199 P C -0.978 176.213 177.300 -0.182 0.000 1.253 199 P CA -0.354 62.669 63.100 -0.128 0.000 0.766 199 P CB 0.513 32.151 31.700 -0.103 0.000 0.845 200 V N 6.014 125.850 119.914 -0.130 0.000 2.444 200 V HA 0.388 4.508 4.120 -0.001 0.000 0.294 200 V C 0.240 176.296 176.094 -0.062 0.000 1.022 200 V CA -0.492 61.733 62.300 -0.126 0.000 0.850 200 V CB 1.489 33.274 31.823 -0.063 0.000 0.992 200 V HN 0.377 nan 8.190 nan 0.000 0.426 201 I N 4.214 124.738 120.570 -0.077 0.000 2.354 201 I HA 0.738 4.908 4.170 -0.001 0.000 0.292 201 I C 0.422 176.499 176.117 -0.067 0.000 0.989 201 I CA -0.311 60.949 61.300 -0.068 0.000 1.188 201 I CB 1.718 39.663 38.000 -0.092 0.000 1.342 201 I HN 0.670 nan 8.210 nan 0.000 0.457 202 A N 5.318 128.108 122.820 -0.051 0.000 2.324 202 A HA 0.668 4.987 4.320 -0.001 0.000 0.330 202 A C -0.919 176.509 177.584 -0.260 0.000 1.165 202 A CA -0.456 51.557 52.037 -0.041 0.000 0.813 202 A CB 1.451 20.524 19.000 0.122 0.000 1.197 202 A HN 0.828 nan 8.150 nan 0.000 0.484 203 C N 3.575 122.739 119.300 -0.226 0.000 2.407 203 C HA 0.557 5.017 4.460 -0.001 0.000 0.328 203 C C -1.064 173.890 174.990 -0.059 0.000 1.137 203 C CA -1.086 57.713 59.018 -0.365 0.000 1.390 203 C CB -0.575 26.995 27.740 -0.284 0.000 1.989 203 C HN 0.809 nan 8.230 nan 0.000 0.432 204 N N 3.670 122.487 118.700 0.196 0.000 2.422 204 N HA 0.688 5.427 4.740 -0.001 0.000 0.266 204 N C -0.679 174.932 175.510 0.170 0.000 1.007 204 N CA 0.127 53.318 53.050 0.236 0.000 0.941 204 N CB 1.652 40.322 38.487 0.305 0.000 1.115 204 N HN 0.745 nan 8.380 nan 0.000 0.492 205 S N 0.342 116.099 115.700 0.096 0.000 2.712 205 S HA 0.193 4.662 4.470 -0.001 0.000 0.279 205 S C -0.724 173.917 174.600 0.068 0.000 1.025 205 S CA -0.869 57.370 58.200 0.066 0.000 0.861 205 S CB 1.393 64.614 63.200 0.034 0.000 1.091 205 S HN 0.481 nan 8.310 nan 0.000 0.457 206 R N 1.057 121.592 120.500 0.060 0.000 2.638 206 R HA 0.124 4.464 4.340 -0.001 0.000 0.268 206 R C -0.313 176.037 176.300 0.084 0.000 1.006 206 R CA 0.304 56.444 56.100 0.066 0.000 1.088 206 R CB -0.016 30.313 30.300 0.048 0.000 0.950 206 R HN 0.439 nan 8.270 nan 0.000 0.419 207 L N 4.705 125.995 121.223 0.112 0.000 2.387 207 L HA 0.185 4.525 4.340 -0.001 0.000 0.267 207 L C -0.134 176.849 176.870 0.189 0.000 1.197 207 L CA -0.455 54.489 54.840 0.173 0.000 1.070 207 L CB -0.222 41.952 42.059 0.192 0.000 1.349 207 L HN 0.367 nan 8.230 nan 0.000 0.422 208 V N 0.050 120.031 119.914 0.111 0.000 2.962 208 V HA 0.505 4.624 4.120 -0.001 0.000 0.313 208 V C -2.260 173.691 176.094 -0.237 0.000 1.099 208 V CA -1.814 60.453 62.300 -0.056 0.000 0.971 208 V CB 1.996 33.785 31.823 -0.056 0.000 1.028 208 V HN 0.108 nan 8.190 nan 0.000 0.430 209 P HA -0.137 nan 4.420 nan 0.000 0.216 209 P C 1.669 178.844 177.300 -0.208 0.000 1.150 209 P CA 1.756 64.422 63.100 -0.724 0.000 0.843 209 P CB 0.067 31.317 31.700 -0.750 0.000 0.787 210 R N 0.323 120.734 120.500 -0.149 0.000 2.117 210 R HA -0.173 4.167 4.340 -0.001 0.000 0.243 210 R C 1.708 178.001 176.300 -0.012 0.000 1.143 210 R CA 1.519 57.587 56.100 -0.054 0.000 0.968 210 R CB -0.241 30.037 30.300 -0.037 0.000 0.863 210 R HN 0.024 nan 8.270 nan 0.000 0.444 211 K N -0.952 119.446 120.400 -0.004 0.000 2.432 211 K HA 0.044 4.364 4.320 -0.001 0.000 0.196 211 K C 1.087 177.704 176.600 0.029 0.000 1.038 211 K CA 0.978 57.276 56.287 0.019 0.000 0.986 211 K CB 0.187 32.700 32.500 0.022 0.000 0.782 211 K HN 0.497 nan 8.250 nan 0.000 0.485 212 G N 1.898 110.724 108.800 0.043 0.000 2.137 212 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.237 212 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.237 212 G C 0.675 175.604 174.900 0.047 0.000 1.002 212 G CA 0.690 45.819 45.100 0.048 0.000 0.702 212 G HN 0.317 nan 8.290 nan 0.000 0.515 213 Q N 0.473 120.317 119.800 0.073 0.000 2.124 213 Q HA -0.003 4.336 4.340 -0.001 0.000 0.202 213 Q C 2.322 178.371 176.000 0.081 0.000 0.977 213 Q CA 2.128 57.967 55.803 0.059 0.000 0.850 213 Q CB -0.178 28.619 28.738 0.097 0.000 0.901 213 Q HN 0.765 nan 8.270 nan 0.000 0.429 214 D N -0.419 120.076 120.400 0.157 0.000 2.117 214 D HA -0.138 4.502 4.640 -0.001 0.000 0.197 214 D C 1.522 177.869 176.300 0.079 0.000 0.987 214 D CA 1.634 55.718 54.000 0.140 0.000 0.829 214 D CB -0.631 40.321 40.800 0.253 0.000 0.961 214 D HN 0.057 nan 8.370 nan 0.000 0.460 215 S N 0.090 115.830 115.700 0.066 0.000 2.368 215 S HA -0.077 4.393 4.470 -0.001 0.000 0.225 215 S C 1.831 176.437 174.600 0.011 0.000 1.030 215 S CA 0.489 58.710 58.200 0.034 0.000 0.999 215 S CB -0.287 62.929 63.200 0.027 0.000 0.844 215 S HN 0.119 nan 8.310 nan 0.000 0.459 216 L N 1.631 122.852 121.223 -0.003 0.000 1.994 216 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 216 L C 2.135 178.987 176.870 -0.030 0.000 1.071 216 L CA 1.442 56.263 54.840 -0.032 0.000 0.745 216 L CB -1.101 40.921 42.059 -0.061 0.000 0.892 216 L HN 0.300 nan 8.230 nan 0.000 0.431 217 I N -0.773 119.787 120.570 -0.017 0.000 2.208 217 I HA -0.357 3.812 4.170 -0.001 0.000 0.245 217 I C 2.308 178.425 176.117 -0.000 0.000 1.097 217 I CA 1.312 62.605 61.300 -0.011 0.000 1.363 217 I CB -0.286 37.725 38.000 0.019 0.000 1.051 217 I HN 0.249 nan 8.210 nan 0.000 0.413 218 K N 0.600 121.005 120.400 0.009 0.000 2.211 218 K HA -0.059 4.261 4.320 -0.001 0.000 0.203 218 K C 2.083 178.684 176.600 0.000 0.000 1.050 218 K CA 1.194 57.487 56.287 0.010 0.000 0.945 218 K CB -0.140 32.371 32.500 0.019 0.000 0.732 218 K HN 0.318 nan 8.250 nan 0.000 0.451 219 A N 0.673 123.489 122.820 -0.007 0.000 2.067 219 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 219 A C 1.935 179.507 177.584 -0.020 0.000 1.156 219 A CA 0.740 52.769 52.037 -0.013 0.000 0.683 219 A CB -0.191 18.798 19.000 -0.018 0.000 0.808 219 A HN 0.089 nan 8.150 nan 0.000 0.455 220 M N -0.292 119.294 119.600 -0.023 0.000 2.108 220 M HA -0.084 4.396 4.480 -0.001 0.000 0.261 220 M C -0.472 175.815 176.300 -0.023 0.000 1.066 220 M CA 1.450 56.732 55.300 -0.029 0.000 1.107 220 M CB -2.326 30.253 32.600 -0.035 0.000 1.356 220 M HN 0.113 nan 8.290 nan 0.000 0.406 221 P HA -0.184 nan 4.420 nan 0.000 0.216 221 P C 1.574 178.866 177.300 -0.013 0.000 1.157 221 P CA 1.437 64.530 63.100 -0.011 0.000 0.880 221 P CB -0.170 31.526 31.700 -0.005 0.000 0.791 222 Q N -0.980 118.812 119.800 -0.013 0.000 2.079 222 Q HA -0.099 4.241 4.340 -0.001 0.000 0.200 222 Q C 2.114 178.102 176.000 -0.019 0.000 0.974 222 Q CA 1.252 57.047 55.803 -0.014 0.000 0.840 222 Q CB -0.667 28.064 28.738 -0.012 0.000 0.898 222 Q HN 0.081 nan 8.270 nan 0.000 0.430 223 V N 1.808 121.707 119.914 -0.024 0.000 2.295 223 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 223 V C 2.246 178.320 176.094 -0.033 0.000 1.049 223 V CA 2.012 64.294 62.300 -0.031 0.000 1.024 223 V CB -0.769 31.031 31.823 -0.040 0.000 0.648 223 V HN 0.517 nan 8.190 nan 0.000 0.447 224 I N -0.487 120.063 120.570 -0.033 0.000 2.546 224 I HA -0.022 4.148 4.170 -0.001 0.000 0.255 224 I C 2.373 178.475 176.117 -0.025 0.000 1.163 224 I CA 1.531 62.812 61.300 -0.033 0.000 1.457 224 I CB -0.666 37.315 38.000 -0.032 0.000 1.092 224 I HN 0.139 nan 8.210 nan 0.000 0.434 225 A N 1.581 124.390 122.820 -0.020 0.000 1.940 225 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 225 A C 2.514 180.088 177.584 -0.017 0.000 1.176 225 A CA 1.971 53.999 52.037 -0.016 0.000 0.631 225 A CB -0.774 18.219 19.000 -0.013 0.000 0.814 225 A HN 0.625 nan 8.150 nan 0.000 0.446 226 A N -1.597 121.211 122.820 -0.020 0.000 1.911 226 A HA 0.175 4.495 4.320 -0.001 0.000 0.212 226 A C 1.208 178.778 177.584 -0.024 0.000 1.189 226 A CA 0.402 52.427 52.037 -0.020 0.000 0.639 226 A CB 0.159 19.147 19.000 -0.020 0.000 0.839 226 A HN 0.234 nan 8.150 nan 0.000 0.449 227 R N -0.615 119.867 120.500 -0.030 0.000 2.513 227 R HA 0.290 4.630 4.340 -0.001 0.000 0.283 227 R C -2.647 173.628 176.300 -0.043 0.000 1.535 227 R CA -2.006 54.072 56.100 -0.037 0.000 1.315 227 R CB 0.406 30.679 30.300 -0.045 0.000 1.163 227 R HN 0.154 nan 8.270 nan 0.000 0.573 228 P HA -0.169 nan 4.420 nan 0.000 0.218 228 P C 0.608 177.881 177.300 -0.044 0.000 1.146 228 P CA 1.309 64.389 63.100 -0.033 0.000 0.813 228 P CB 0.312 31.998 31.700 -0.023 0.000 0.778 229 D N -1.458 118.908 120.400 -0.057 0.000 2.328 229 D HA 0.108 4.747 4.640 -0.001 0.000 0.221 229 D C 0.455 176.673 176.300 -0.136 0.000 1.072 229 D CA -0.290 53.661 54.000 -0.082 0.000 0.850 229 D CB -0.809 39.947 40.800 -0.073 0.000 0.922 229 D HN -0.010 nan 8.370 nan 0.000 0.516 230 A N 0.590 123.340 122.820 -0.117 0.000 2.546 230 A HA 0.205 4.525 4.320 -0.001 0.000 0.243 230 A C 0.261 177.740 177.584 -0.174 0.000 1.063 230 A CA 0.097 52.049 52.037 -0.142 0.000 0.757 230 A CB 0.286 19.227 19.000 -0.098 0.000 0.991 230 A HN 0.128 nan 8.150 nan 0.000 0.503 231 Q N 1.035 120.689 119.800 -0.243 0.000 2.330 231 Q HA 0.429 4.769 4.340 -0.001 0.000 0.269 231 Q C -1.466 174.434 176.000 -0.167 0.000 1.022 231 Q CA -0.731 54.919 55.803 -0.255 0.000 0.796 231 Q CB 2.040 30.443 28.738 -0.559 0.000 1.271 231 Q HN 0.651 nan 8.270 nan 0.000 0.450 232 L N 3.960 125.109 121.223 -0.122 0.000 2.272 232 L HA 0.425 4.764 4.340 -0.001 0.000 0.289 232 L C -1.277 175.521 176.870 -0.119 0.000 1.032 232 L CA -0.133 54.633 54.840 -0.123 0.000 0.810 232 L CB 0.639 42.614 42.059 -0.139 0.000 1.205 232 L HN 0.506 nan 8.230 nan 0.000 0.422 233 L N 6.897 128.068 121.223 -0.087 0.000 2.265 233 L HA 0.472 4.812 4.340 -0.001 0.000 0.289 233 L C -0.477 176.320 176.870 -0.123 0.000 1.033 233 L CA -0.392 54.409 54.840 -0.065 0.000 0.814 233 L CB 1.278 43.359 42.059 0.036 0.000 1.203 233 L HN 0.554 nan 8.230 nan 0.000 0.423 234 I N 4.374 124.822 120.570 -0.203 0.000 2.330 234 I HA 0.259 4.428 4.170 -0.001 0.000 0.286 234 I C -0.404 175.691 176.117 -0.036 0.000 1.025 234 I CA -0.480 60.713 61.300 -0.178 0.000 1.197 234 I CB 1.596 39.366 38.000 -0.384 0.000 1.358 234 I HN 0.249 nan 8.210 nan 0.000 0.467 235 V N 6.077 126.003 119.914 0.019 0.000 2.370 235 V HA 0.930 5.049 4.120 -0.001 0.000 0.283 235 V C 0.485 176.631 176.094 0.088 0.000 1.023 235 V CA -0.281 62.059 62.300 0.067 0.000 0.857 235 V CB 0.826 32.697 31.823 0.080 0.000 0.985 235 V HN 1.014 nan 8.190 nan 0.000 0.443 236 G N 3.764 112.625 108.800 0.102 0.000 2.369 236 G HA2 0.418 4.378 3.960 -0.001 0.000 0.307 236 G HA3 0.418 4.378 3.960 -0.001 0.000 0.307 236 G C -0.792 174.174 174.900 0.110 0.000 1.327 236 G CA -0.166 44.995 45.100 0.101 0.000 0.963 236 G HN 1.223 nan 8.290 nan 0.000 0.590 237 S N -1.331 114.425 115.700 0.094 0.000 2.627 237 S HA 1.072 5.542 4.470 -0.001 0.000 0.283 237 S C 0.096 174.744 174.600 0.082 0.000 1.127 237 S CA 0.356 58.607 58.200 0.085 0.000 0.863 237 S CB 2.041 65.279 63.200 0.063 0.000 1.121 237 S HN 2.834 nan 8.310 nan 0.000 0.479 238 G N 0.598 109.444 108.800 0.077 0.000 2.321 238 G HA2 0.305 4.264 3.960 -0.001 0.000 0.298 238 G HA3 0.305 4.264 3.960 -0.001 0.000 0.298 238 G C 0.009 174.962 174.900 0.088 0.000 1.385 238 G CA -0.231 44.916 45.100 0.079 0.000 0.856 238 G HN 0.941 nan 8.290 nan 0.000 0.584 239 R N -1.297 119.256 120.500 0.090 0.000 2.159 239 R HA -0.108 4.232 4.340 -0.001 0.000 0.237 239 R C 1.462 177.857 176.300 0.160 0.000 1.131 239 R CA 1.813 57.971 56.100 0.096 0.000 0.982 239 R CB -0.213 30.134 30.300 0.079 0.000 0.868 239 R HN 0.409 nan 8.270 nan 0.000 0.453 240 Y N 2.011 122.321 120.300 0.016 0.000 2.490 240 Y HA 0.098 4.648 4.550 -0.000 0.000 0.281 240 Y C 1.967 177.875 175.900 0.014 0.000 1.174 240 Y CA -0.342 57.770 58.100 0.020 0.000 1.295 240 Y CB -0.017 38.463 38.460 0.034 0.000 1.062 240 Y HN 0.257 nan 8.280 nan 0.000 0.522 241 E N -0.304 119.915 120.200 0.032 0.000 2.070 241 E HA -0.254 4.096 4.350 -0.001 0.000 0.197 241 E C 2.284 178.749 176.600 -0.225 0.000 1.004 241 E CA 2.037 58.388 56.400 -0.082 0.000 0.805 241 E CB -0.072 29.587 29.700 -0.068 0.000 0.744 241 E HN 0.472 nan 8.360 nan 0.000 0.451 242 S N -0.665 114.931 115.700 -0.174 0.000 2.399 242 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 242 S C 2.034 176.504 174.600 -0.216 0.000 1.022 242 S CA 1.578 59.666 58.200 -0.186 0.000 0.983 242 S CB -0.579 62.554 63.200 -0.112 0.000 0.803 242 S HN 0.258 nan 8.310 nan 0.000 0.480 243 T N 3.145 117.527 114.554 -0.286 0.000 2.737 243 T HA 0.141 4.491 4.350 -0.001 0.000 0.265 243 T C 1.759 176.242 174.700 -0.361 0.000 1.038 243 T CA 1.429 63.306 62.100 -0.371 0.000 1.144 243 T CB -0.525 67.966 68.868 -0.628 0.000 0.866 243 T HN 0.324 nan 8.240 nan 0.000 0.434 244 L N 0.492 121.476 121.223 -0.399 0.000 2.012 244 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 244 L C 2.940 179.819 176.870 0.015 0.000 1.073 244 L CA 1.474 56.245 54.840 -0.115 0.000 0.748 244 L CB -0.565 41.559 42.059 0.107 0.000 0.891 244 L HN 0.165 nan 8.230 nan 0.000 0.431 245 R N -0.464 119.882 120.500 -0.257 0.000 2.091 245 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 245 R C 2.467 178.704 176.300 -0.105 0.000 1.136 245 R CA 1.226 57.138 56.100 -0.314 0.000 0.959 245 R CB -0.394 29.601 30.300 -0.509 0.000 0.856 245 R HN 0.313 nan 8.270 nan 0.000 0.437 246 R N 0.827 121.257 120.500 -0.117 0.000 2.073 246 R HA -0.148 4.192 4.340 -0.001 0.000 0.234 246 R C 2.008 178.289 176.300 -0.031 0.000 1.134 246 R CA 1.365 57.423 56.100 -0.070 0.000 0.952 246 R CB -0.235 30.017 30.300 -0.080 0.000 0.850 246 R HN 0.093 nan 8.270 nan 0.000 0.433 247 L N 0.727 121.931 121.223 -0.033 0.000 2.187 247 L HA -0.086 4.254 4.340 -0.001 0.000 0.213 247 L C 2.218 179.110 176.870 0.037 0.000 1.100 247 L CA 1.867 56.707 54.840 -0.000 0.000 0.765 247 L CB -0.853 41.201 42.059 -0.007 0.000 0.904 247 L HN 0.270 nan 8.230 nan 0.000 0.437 248 A N -2.369 120.499 122.820 0.080 0.000 2.251 248 A HA 0.011 4.331 4.320 -0.001 0.000 0.209 248 A C 2.115 179.748 177.584 0.081 0.000 1.187 248 A CA 0.900 53.007 52.037 0.118 0.000 0.823 248 A CB -0.619 18.552 19.000 0.285 0.000 0.846 248 A HN 0.380 nan 8.150 nan 0.000 0.486 249 T N 0.916 115.498 114.554 0.046 0.000 2.624 249 T HA -0.175 4.175 4.350 -0.001 0.000 0.268 249 T C 1.170 175.887 174.700 0.028 0.000 1.041 249 T CA 1.911 64.029 62.100 0.030 0.000 1.159 249 T CB -0.324 68.549 68.868 0.009 0.000 0.863 249 T HN 0.488 nan 8.240 nan 0.000 0.434 250 D N 0.835 121.248 120.400 0.022 0.000 2.349 250 D HA 0.049 4.689 4.640 -0.001 0.000 0.224 250 D C 1.316 177.627 176.300 0.017 0.000 1.029 250 D CA 0.409 54.419 54.000 0.016 0.000 0.879 250 D CB 0.221 41.028 40.800 0.011 0.000 0.906 250 D HN 0.463 nan 8.370 nan 0.000 0.528 251 V N -1.737 118.192 119.914 0.024 0.000 2.991 251 V HA 0.163 4.283 4.120 -0.001 0.000 0.355 251 V C 1.680 177.791 176.094 0.030 0.000 1.384 251 V CA 0.033 62.344 62.300 0.018 0.000 1.171 251 V CB 0.099 31.926 31.823 0.006 0.000 1.190 251 V HN -0.047 nan 8.190 nan 0.000 0.540 252 S N -0.108 115.620 115.700 0.047 0.000 2.442 252 S HA -0.159 4.311 4.470 -0.001 0.000 0.236 252 S C 1.841 176.479 174.600 0.063 0.000 1.007 252 S CA 1.809 60.053 58.200 0.073 0.000 0.965 252 S CB -0.362 62.883 63.200 0.075 0.000 0.773 252 S HN 1.130 nan 8.310 nan 0.000 0.504 253 Q N 0.944 120.770 119.800 0.044 0.000 2.451 253 Q HA 0.244 4.583 4.340 -0.001 0.000 0.206 253 Q C 1.285 177.307 176.000 0.037 0.000 0.947 253 Q CA 1.159 56.989 55.803 0.045 0.000 0.937 253 Q CB -0.987 27.771 28.738 0.034 0.000 1.025 253 Q HN 0.890 nan 8.270 nan 0.000 0.511 254 N N -1.473 117.236 118.700 0.015 0.000 2.177 254 N HA 0.327 5.067 4.740 -0.001 0.000 0.218 254 N C -1.029 174.459 175.510 -0.036 0.000 1.182 254 N CA 0.118 53.158 53.050 -0.018 0.000 0.882 254 N CB 2.027 40.492 38.487 -0.036 0.000 1.052 254 N HN 0.232 nan 8.380 nan 0.000 0.519 255 V N 1.264 121.166 119.914 -0.021 0.000 2.525 255 V HA 0.385 4.505 4.120 -0.001 0.000 0.299 255 V C -0.802 175.243 176.094 -0.081 0.000 1.034 255 V CA -0.880 61.362 62.300 -0.097 0.000 0.863 255 V CB 1.962 33.709 31.823 -0.126 0.000 0.999 255 V HN -0.044 nan 8.190 nan 0.000 0.423 256 K N 4.369 124.693 120.400 -0.127 0.000 2.274 256 K HA 0.562 4.881 4.320 -0.001 0.000 0.262 256 K C -1.187 175.295 176.600 -0.197 0.000 0.961 256 K CA -0.329 55.930 56.287 -0.046 0.000 0.833 256 K CB 2.071 34.611 32.500 0.066 0.000 1.102 256 K HN 0.465 nan 8.250 nan 0.000 0.436 257 F N 3.311 123.279 119.950 0.030 0.000 2.350 257 F HA 0.219 4.745 4.527 -0.000 0.000 0.365 257 F C 1.422 177.235 175.800 0.022 0.000 1.122 257 F CA -0.413 57.600 58.000 0.022 0.000 1.139 257 F CB 0.511 39.517 39.000 0.011 0.000 1.220 257 F HN 0.314 nan 8.300 nan 0.000 0.499 258 L N 3.108 124.411 121.223 0.133 0.000 2.592 258 L HA 0.294 4.633 4.340 -0.001 0.000 0.227 258 L C 1.428 178.355 176.870 0.094 0.000 1.127 258 L CA 0.246 55.139 54.840 0.090 0.000 0.884 258 L CB -0.894 41.196 42.059 0.053 0.000 1.065 258 L HN 0.889 nan 8.230 nan 0.000 0.457 259 G N 0.507 109.384 108.800 0.128 0.000 2.698 259 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.233 259 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.233 259 G C -0.284 174.669 174.900 0.088 0.000 1.352 259 G CA -0.373 44.789 45.100 0.104 0.000 0.879 259 G HN 0.123 nan 8.290 nan 0.000 0.567 260 R N -0.625 119.920 120.500 0.074 0.000 2.248 260 R HA 0.567 4.906 4.340 -0.001 0.000 0.328 260 R C 0.803 177.143 176.300 0.066 0.000 1.067 260 R CA 0.118 56.261 56.100 0.073 0.000 0.924 260 R CB -0.514 29.825 30.300 0.065 0.000 1.013 260 R HN 0.579 nan 8.270 nan 0.000 0.454 261 L N 2.720 123.986 121.223 0.072 0.000 2.379 261 L HA 0.488 4.828 4.340 -0.001 0.000 0.269 261 L C 1.318 178.232 176.870 0.074 0.000 1.084 261 L CA -0.427 54.450 54.840 0.061 0.000 0.802 261 L CB 1.136 43.227 42.059 0.052 0.000 1.175 261 L HN 0.811 nan 8.230 nan 0.000 0.448 262 E N 0.755 120.993 120.200 0.063 0.000 2.415 262 E HA -0.118 4.232 4.350 -0.001 0.000 0.262 262 E C 0.409 177.075 176.600 0.111 0.000 1.038 262 E CA 0.118 56.568 56.400 0.083 0.000 0.921 262 E CB 0.016 29.750 29.700 0.057 0.000 0.950 262 E HN 0.580 nan 8.360 nan 0.000 0.438 263 Y N 1.045 121.345 120.300 -0.001 0.000 2.014 263 Y HA -0.313 4.236 4.550 -0.001 0.000 0.272 263 Y C 2.607 178.473 175.900 -0.056 0.000 1.164 263 Y CA 3.261 61.352 58.100 -0.015 0.000 1.114 263 Y CB -0.308 38.137 38.460 -0.024 0.000 0.961 263 Y HN 0.701 nan 8.280 nan 0.000 0.489 264 Q N 0.241 119.993 119.800 -0.080 0.000 2.124 264 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 264 Q C 1.874 177.789 176.000 -0.142 0.000 0.977 264 Q CA 2.009 57.698 55.803 -0.189 0.000 0.850 264 Q CB -0.639 28.053 28.738 -0.078 0.000 0.901 264 Q HN 0.527 nan 8.270 nan 0.000 0.429 265 D N -0.965 119.397 120.400 -0.064 0.000 2.117 265 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 265 D C 1.684 177.961 176.300 -0.038 0.000 0.987 265 D CA 1.044 55.021 54.000 -0.038 0.000 0.829 265 D CB -0.114 40.682 40.800 -0.007 0.000 0.961 265 D HN 0.296 nan 8.370 nan 0.000 0.460 266 M N 0.202 119.778 119.600 -0.039 0.000 2.117 266 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 266 M C 2.060 178.334 176.300 -0.042 0.000 1.065 266 M CA 1.094 56.387 55.300 -0.012 0.000 1.114 266 M CB -0.440 32.176 32.600 0.027 0.000 1.361 266 M HN 0.043 nan 8.290 nan 0.000 0.408 267 I N 0.825 121.289 120.570 -0.177 0.000 2.179 267 I HA -0.356 3.814 4.170 -0.001 0.000 0.242 267 I C 1.919 177.979 176.117 -0.095 0.000 1.088 267 I CA 1.209 62.386 61.300 -0.205 0.000 1.357 267 I CB -0.849 36.843 38.000 -0.514 0.000 1.051 267 I HN 0.325 nan 8.210 nan 0.000 0.409 268 N N 0.532 119.176 118.700 -0.093 0.000 2.104 268 N HA -0.148 4.592 4.740 -0.001 0.000 0.190 268 N C 1.852 177.360 175.510 -0.003 0.000 1.024 268 N CA 1.887 54.910 53.050 -0.045 0.000 0.853 268 N CB -0.766 37.694 38.487 -0.044 0.000 1.008 268 N HN 0.318 nan 8.380 nan 0.000 0.424 269 T N 1.694 116.253 114.554 0.009 0.000 2.737 269 T HA -0.085 4.265 4.350 -0.001 0.000 0.265 269 T C 1.956 176.701 174.700 0.074 0.000 1.038 269 T CA 0.629 62.756 62.100 0.044 0.000 1.144 269 T CB -0.411 68.485 68.868 0.046 0.000 0.866 269 T HN 0.102 nan 8.240 nan 0.000 0.434 270 L N 1.785 123.056 121.223 0.081 0.000 2.012 270 L HA 0.027 4.367 4.340 -0.001 0.000 0.210 270 L C 2.543 179.468 176.870 0.092 0.000 1.073 270 L CA 2.071 56.981 54.840 0.117 0.000 0.748 270 L CB -1.118 41.009 42.059 0.113 0.000 0.891 270 L HN 0.226 nan 8.230 nan 0.000 0.431 271 A N -0.864 121.991 122.820 0.059 0.000 2.067 271 A HA 0.095 4.415 4.320 -0.001 0.000 0.219 271 A C 2.259 179.872 177.584 0.048 0.000 1.158 271 A CA 1.332 53.397 52.037 0.046 0.000 0.661 271 A CB -0.903 18.110 19.000 0.022 0.000 0.801 271 A HN 0.585 nan 8.150 nan 0.000 0.452 272 A N -0.849 122.004 122.820 0.055 0.000 2.218 272 A HA 0.621 4.941 4.320 -0.001 0.000 0.209 272 A C 1.285 178.912 177.584 0.072 0.000 1.168 272 A CA 0.645 52.718 52.037 0.060 0.000 0.804 272 A CB -0.577 18.462 19.000 0.065 0.000 0.834 272 A HN 0.828 nan 8.150 nan 0.000 0.482 273 A N -0.044 122.824 122.820 0.080 0.000 2.351 273 A HA 0.389 4.709 4.320 -0.001 0.000 0.257 273 A C 0.592 178.211 177.584 0.059 0.000 1.087 273 A CA -0.049 52.034 52.037 0.076 0.000 0.798 273 A CB 0.294 19.356 19.000 0.103 0.000 1.033 273 A HN 0.327 nan 8.150 nan 0.000 0.488 274 D N 0.246 120.667 120.400 0.035 0.000 2.137 274 D HA 0.075 4.715 4.640 -0.001 0.000 0.202 274 D C 0.178 176.501 176.300 0.039 0.000 0.970 274 D CA 1.550 55.564 54.000 0.025 0.000 0.837 274 D CB 0.146 40.944 40.800 -0.002 0.000 0.981 274 D HN 0.523 nan 8.370 nan 0.000 0.475 275 I N -0.028 120.569 120.570 0.044 0.000 2.619 275 I HA 0.207 4.377 4.170 -0.001 0.000 0.292 275 I C -1.039 175.142 176.117 0.107 0.000 1.100 275 I CA -1.014 60.324 61.300 0.064 0.000 1.043 275 I CB 2.743 40.754 38.000 0.017 0.000 1.239 275 I HN -0.254 nan 8.210 nan 0.000 0.420 276 F N 5.815 125.776 119.950 0.019 0.000 2.411 276 F HA 0.745 5.272 4.527 -0.001 0.000 0.350 276 F C -0.050 175.778 175.800 0.047 0.000 1.114 276 F CA -0.262 57.755 58.000 0.029 0.000 1.135 276 F CB 0.989 40.012 39.000 0.038 0.000 1.120 276 F HN 0.479 nan 8.300 nan 0.000 0.495 277 A N 8.383 130.834 122.820 -0.615 0.000 2.353 277 A HA 0.676 4.996 4.320 -0.001 0.000 0.299 277 A C -1.136 176.146 177.584 -0.504 0.000 1.089 277 A CA -0.664 51.157 52.037 -0.360 0.000 0.736 277 A CB 1.231 20.119 19.000 -0.186 0.000 1.195 277 A HN 0.746 nan 8.150 nan 0.000 0.447 278 M N 5.371 124.867 119.600 -0.175 0.000 2.037 278 M HA 0.313 4.793 4.480 -0.001 0.000 0.255 278 M C -2.877 173.505 176.300 0.136 0.000 0.914 278 M CA -1.723 53.545 55.300 -0.055 0.000 0.986 278 M CB 2.103 34.666 32.600 -0.062 0.000 1.947 278 M HN 0.370 nan 8.290 nan 0.000 0.419 279 P HA 0.225 nan 4.420 nan 0.000 0.220 279 P C -0.114 177.223 177.300 0.061 0.000 1.806 279 P CA -0.037 63.097 63.100 0.055 0.000 0.976 279 P CB -0.538 31.171 31.700 0.015 0.000 1.952 280 A N 3.449 126.333 122.820 0.108 0.000 2.584 280 A HA 0.135 4.455 4.320 -0.001 0.000 0.239 280 A C 0.822 178.430 177.584 0.040 0.000 1.043 280 A CA 0.174 52.258 52.037 0.079 0.000 0.756 280 A CB -0.228 18.845 19.000 0.121 0.000 0.963 280 A HN 0.549 nan 8.150 nan 0.000 0.511 281 R N 1.323 121.837 120.500 0.024 0.000 2.803 281 R HA 0.681 5.021 4.340 -0.001 0.000 0.276 281 R C -0.951 175.357 176.300 0.012 0.000 0.978 281 R CA -0.588 55.521 56.100 0.015 0.000 0.939 281 R CB 1.067 31.378 30.300 0.019 0.000 1.179 281 R HN 0.383 nan 8.270 nan 0.000 0.472 282 T N 2.344 116.908 114.554 0.016 0.000 2.780 282 T HA 0.360 4.710 4.350 -0.001 0.000 0.294 282 T C -0.180 174.550 174.700 0.050 0.000 0.949 282 T CA -0.347 61.772 62.100 0.032 0.000 1.074 282 T CB 0.620 69.514 68.868 0.043 0.000 0.910 282 T HN 0.464 nan 8.240 nan 0.000 0.501 283 R N 0.874 121.408 120.500 0.056 0.000 3.121 283 R HA 0.674 5.013 4.340 -0.001 0.000 0.242 283 R C 0.715 177.075 176.300 0.099 0.000 1.402 283 R CA -0.876 55.261 56.100 0.062 0.000 1.042 283 R CB 0.663 30.978 30.300 0.025 0.000 1.410 283 R HN 0.761 nan 8.270 nan 0.000 0.494 284 G N -0.036 108.827 108.800 0.105 0.000 2.323 284 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.292 284 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.292 284 G C 0.742 175.823 174.900 0.302 0.000 1.040 284 G CA 1.042 46.239 45.100 0.161 0.000 0.942 284 G HN 1.178 nan 8.290 nan 0.000 0.506 285 G N -1.464 107.502 108.800 0.276 0.000 2.179 285 G HA2 0.243 4.202 3.960 -0.001 0.000 0.257 285 G HA3 0.243 4.202 3.960 -0.001 0.000 0.257 285 G C 1.875 177.053 174.900 0.464 0.000 1.010 285 G CA 0.904 46.221 45.100 0.362 0.000 0.736 285 G HN 2.723 nan 8.290 nan 0.000 0.513 286 G N -1.720 107.256 108.800 0.293 0.000 2.194 286 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.236 286 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.236 286 G C 1.073 176.087 174.900 0.190 0.000 0.987 286 G CA 0.702 45.948 45.100 0.244 0.000 0.635 286 G HN 1.175 nan 8.290 nan 0.000 0.520 287 L N 0.367 121.677 121.223 0.144 0.000 2.477 287 L HA 0.260 4.600 4.340 -0.001 0.000 0.220 287 L C 0.093 177.019 176.870 0.093 0.000 1.106 287 L CA 0.267 55.124 54.840 0.028 0.000 0.851 287 L CB 0.083 42.014 42.059 -0.215 0.000 0.994 287 L HN 0.030 nan 8.230 nan 0.000 0.462 288 D N 1.648 122.103 120.400 0.091 0.000 2.479 288 D HA 0.324 4.964 4.640 -0.001 0.000 0.218 288 D C -0.289 176.059 176.300 0.080 0.000 1.131 288 D CA 0.285 54.330 54.000 0.075 0.000 0.916 288 D CB 1.228 42.050 40.800 0.038 0.000 1.022 288 D HN -0.116 nan 8.370 nan 0.000 0.515 289 V N -0.609 119.372 119.914 0.112 0.000 2.914 289 V HA 0.542 4.662 4.120 -0.001 0.000 0.314 289 V C 0.053 176.172 176.094 0.043 0.000 1.084 289 V CA -1.303 61.024 62.300 0.046 0.000 0.963 289 V CB 2.297 34.134 31.823 0.024 0.000 1.025 289 V HN 0.029 nan 8.190 nan 0.000 0.432 290 E N 1.903 122.090 120.200 -0.023 0.000 2.344 290 E HA 0.540 4.889 4.350 -0.001 0.000 0.270 290 E C 0.689 177.291 176.600 0.002 0.000 1.021 290 E CA 0.990 57.397 56.400 0.011 0.000 0.887 290 E CB 1.164 30.884 29.700 0.035 0.000 0.997 290 E HN 0.906 nan 8.360 nan 0.000 0.429 291 G N 3.815 112.658 108.800 0.071 0.000 2.548 291 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.221 291 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.221 291 G C 0.993 175.964 174.900 0.118 0.000 1.796 291 G CA 0.000 45.158 45.100 0.096 0.000 0.889 291 G HN 0.530 nan 8.290 nan 0.000 0.599 292 L N 0.850 122.150 121.223 0.130 0.000 2.217 292 L HA 0.179 4.519 4.340 -0.001 0.000 0.211 292 L C 2.095 179.020 176.870 0.092 0.000 1.107 292 L CA 0.666 55.593 54.840 0.146 0.000 0.783 292 L CB -0.439 41.721 42.059 0.169 0.000 0.919 292 L HN 0.542 nan 8.230 nan 0.000 0.442 293 G N 0.378 109.216 108.800 0.063 0.000 2.305 293 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.287 293 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.287 293 G C 0.769 175.603 174.900 -0.110 0.000 1.036 293 G CA 0.509 45.636 45.100 0.044 0.000 0.887 293 G HN 0.395 nan 8.290 nan 0.000 0.505 294 I N -0.057 120.430 120.570 -0.139 0.000 2.361 294 I HA -0.235 3.935 4.170 -0.001 0.000 0.251 294 I C 2.880 178.792 176.117 -0.340 0.000 1.133 294 I CA 1.679 62.858 61.300 -0.202 0.000 1.413 294 I CB -0.418 37.525 38.000 -0.094 0.000 1.073 294 I HN 0.406 nan 8.210 nan 0.000 0.424 295 V N -1.396 118.288 119.914 -0.383 0.000 2.469 295 V HA -0.296 3.824 4.120 -0.001 0.000 0.251 295 V C 2.293 177.949 176.094 -0.730 0.000 1.064 295 V CA 1.563 63.554 62.300 -0.515 0.000 1.066 295 V CB -1.429 30.214 31.823 -0.299 0.000 0.667 295 V HN 0.270 nan 8.190 nan 0.000 0.461 296 Y N 0.140 120.218 120.300 -0.370 0.000 2.242 296 Y HA 0.060 4.610 4.550 -0.000 0.000 0.291 296 Y C 2.305 177.942 175.900 -0.438 0.000 1.137 296 Y CA 0.945 58.831 58.100 -0.358 0.000 1.181 296 Y CB -0.780 37.562 38.460 -0.197 0.000 0.989 296 Y HN 0.210 nan 8.280 nan 0.000 0.527 297 L N 0.202 121.213 121.223 -0.353 0.000 2.072 297 L HA -0.131 4.209 4.340 -0.001 0.000 0.205 297 L C 2.126 178.729 176.870 -0.445 0.000 1.079 297 L CA 1.491 56.053 54.840 -0.463 0.000 0.752 297 L CB -1.161 40.573 42.059 -0.542 0.000 0.906 297 L HN 0.241 nan 8.230 nan 0.000 0.436 298 E N -0.640 119.209 120.200 -0.585 0.000 2.077 298 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 298 E C 2.253 178.597 176.600 -0.426 0.000 0.989 298 E CA 1.176 57.119 56.400 -0.761 0.000 0.800 298 E CB -0.203 28.860 29.700 -1.062 0.000 0.746 298 E HN 0.487 nan 8.360 nan 0.000 0.452 299 A N 1.321 123.845 122.820 -0.494 0.000 1.877 299 A HA -0.273 4.047 4.320 -0.001 0.000 0.216 299 A C 2.092 179.581 177.584 -0.157 0.000 1.186 299 A CA 1.555 53.373 52.037 -0.366 0.000 0.620 299 A CB -0.528 18.123 19.000 -0.581 0.000 0.822 299 A HN 0.172 nan 8.150 nan 0.000 0.443 300 Q N -0.722 118.987 119.800 -0.153 0.000 2.084 300 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 300 Q C 2.369 178.346 176.000 -0.038 0.000 0.978 300 Q CA 1.372 57.136 55.803 -0.065 0.000 0.844 300 Q CB -0.407 28.298 28.738 -0.055 0.000 0.898 300 Q HN 0.691 nan 8.270 nan 0.000 0.426 301 A N -0.023 122.754 122.820 -0.071 0.000 2.019 301 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 301 A C 2.001 179.614 177.584 0.048 0.000 1.164 301 A CA 1.115 53.151 52.037 -0.002 0.000 0.644 301 A CB -0.547 18.455 19.000 0.003 0.000 0.805 301 A HN 0.489 nan 8.150 nan 0.000 0.449 302 C N -0.934 118.389 119.300 0.038 0.000 2.626 302 C HA 0.436 4.895 4.460 -0.001 0.000 0.266 302 C C 1.815 176.825 174.990 0.034 0.000 1.317 302 C CA 0.066 59.115 59.018 0.053 0.000 1.716 302 C CB -1.386 26.392 27.740 0.064 0.000 1.819 302 C HN 1.057 nan 8.230 nan 0.000 0.578 303 G N 1.231 110.046 108.800 0.025 0.000 2.246 303 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.273 303 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.273 303 G C -0.169 174.750 174.900 0.032 0.000 1.055 303 G CA 0.406 45.523 45.100 0.029 0.000 0.851 303 G HN 0.433 nan 8.290 nan 0.000 0.500 304 V N 1.686 121.620 119.914 0.032 0.000 2.417 304 V HA 0.521 4.641 4.120 -0.001 0.000 0.291 304 V C -1.479 174.653 176.094 0.062 0.000 1.024 304 V CA -1.817 60.515 62.300 0.054 0.000 0.861 304 V CB 2.022 33.893 31.823 0.079 0.000 0.985 304 V HN 0.216 nan 8.190 nan 0.000 0.436 305 P HA 0.130 nan 4.420 nan 0.000 0.267 305 P C -0.727 176.637 177.300 0.107 0.000 1.200 305 P CA 0.154 63.290 63.100 0.060 0.000 0.772 305 P CB 0.966 32.690 31.700 0.040 0.000 0.855 306 V N 4.589 124.561 119.914 0.098 0.000 2.555 306 V HA 0.374 4.494 4.120 -0.001 0.000 0.302 306 V C 0.524 176.673 176.094 0.092 0.000 1.038 306 V CA -0.674 61.730 62.300 0.173 0.000 0.887 306 V CB 1.723 33.644 31.823 0.164 0.000 0.991 306 V HN 0.387 nan 8.190 nan 0.000 0.434 307 I N 4.061 124.698 120.570 0.113 0.000 2.330 307 I HA 0.687 4.856 4.170 -0.001 0.000 0.289 307 I C 0.329 176.480 176.117 0.057 0.000 1.001 307 I CA -0.197 61.125 61.300 0.036 0.000 1.193 307 I CB 1.543 39.547 38.000 0.006 0.000 1.345 307 I HN 0.727 nan 8.210 nan 0.000 0.461 308 A N 4.820 127.592 122.820 -0.080 0.000 2.354 308 A HA 0.877 5.196 4.320 -0.001 0.000 0.321 308 A C 0.061 177.585 177.584 -0.099 0.000 1.125 308 A CA -0.518 51.384 52.037 -0.225 0.000 0.799 308 A CB 1.336 19.881 19.000 -0.758 0.000 1.293 308 A HN 0.724 nan 8.150 nan 0.000 0.452 309 G N -0.994 107.794 108.800 -0.020 0.000 2.502 309 G HA2 0.430 4.390 3.960 -0.001 0.000 0.305 309 G HA3 0.430 4.390 3.960 -0.001 0.000 0.305 309 G C 0.844 175.717 174.900 -0.044 0.000 1.190 309 G CA 0.444 45.542 45.100 -0.003 0.000 0.933 309 G HN 1.162 nan 8.290 nan 0.000 0.503 310 T N -2.417 112.118 114.554 -0.032 0.000 3.113 310 T HA 0.111 4.461 4.350 -0.001 0.000 0.256 310 T C 1.414 176.076 174.700 -0.063 0.000 1.131 310 T CA 0.540 62.616 62.100 -0.041 0.000 1.074 310 T CB -0.002 68.855 68.868 -0.018 0.000 0.944 310 T HN 0.454 nan 8.240 nan 0.000 0.516 311 S N 0.899 116.561 115.700 -0.063 0.000 2.516 311 S HA 0.465 4.934 4.470 -0.001 0.000 0.282 311 S C 1.500 175.939 174.600 -0.268 0.000 1.286 311 S CA 0.335 58.462 58.200 -0.122 0.000 1.066 311 S CB -0.778 62.387 63.200 -0.057 0.000 0.884 311 S HN 1.014 nan 8.310 nan 0.000 0.491 312 G N 4.906 113.329 108.800 -0.628 0.000 2.622 312 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.307 312 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.307 312 G C 0.854 175.353 174.900 -0.668 0.000 1.226 312 G CA 0.303 44.630 45.100 -1.290 0.000 0.997 312 G HN 1.625 nan 8.290 nan 0.000 0.551 313 G N 0.382 109.006 108.800 -0.294 0.000 3.141 313 G HA2 0.533 4.492 3.960 -0.001 0.000 0.218 313 G HA3 0.533 4.492 3.960 -0.001 0.000 0.218 313 G C 1.701 176.613 174.900 0.021 0.000 1.170 313 G CA 1.765 46.855 45.100 -0.018 0.000 0.769 313 G HN 1.631 nan 8.290 nan 0.000 0.546 314 A N 2.151 124.963 122.820 -0.012 0.000 1.892 314 A HA -0.014 4.305 4.320 -0.001 0.000 0.218 314 A C 0.615 178.106 177.584 -0.156 0.000 1.188 314 A CA 1.728 53.773 52.037 0.013 0.000 0.631 314 A CB -1.040 18.005 19.000 0.075 0.000 0.822 314 A HN 0.342 nan 8.150 nan 0.000 0.447 315 P HA -0.106 nan 4.420 nan 0.000 0.220 315 P C 0.871 178.148 177.300 -0.039 0.000 1.148 315 P CA 1.209 64.243 63.100 -0.111 0.000 0.803 315 P CB -0.101 31.563 31.700 -0.060 0.000 0.782 316 E N -0.991 119.231 120.200 0.037 0.000 2.338 316 E HA -0.105 4.245 4.350 -0.001 0.000 0.197 316 E C 1.542 178.285 176.600 0.237 0.000 1.007 316 E CA 1.497 57.987 56.400 0.151 0.000 0.849 316 E CB -0.492 29.334 29.700 0.211 0.000 0.774 316 E HN 0.425 nan 8.360 nan 0.000 0.506 317 T N -2.023 112.565 114.554 0.058 0.000 3.081 317 T HA 0.065 4.415 4.350 -0.001 0.000 0.255 317 T C 0.817 175.494 174.700 -0.039 0.000 1.113 317 T CA 0.075 62.104 62.100 -0.118 0.000 1.082 317 T CB -0.133 68.572 68.868 -0.273 0.000 0.939 317 T HN 0.012 nan 8.240 nan 0.000 0.506 318 V N -0.016 119.879 119.914 -0.031 0.000 2.919 318 V HA 0.900 5.020 4.120 -0.001 0.000 0.316 318 V C -0.170 175.877 176.094 -0.079 0.000 1.077 318 V CA -0.583 61.678 62.300 -0.065 0.000 0.977 318 V CB 1.555 33.289 31.823 -0.148 0.000 1.039 318 V HN 0.445 nan 8.190 nan 0.000 0.441 319 T N -0.954 113.485 114.554 -0.190 0.000 2.942 319 T HA 0.641 4.990 4.350 -0.001 0.000 0.289 319 T C -2.111 172.517 174.700 -0.120 0.000 1.044 319 T CA -2.022 59.974 62.100 -0.173 0.000 1.023 319 T CB 1.757 70.456 68.868 -0.282 0.000 1.123 319 T HN 0.506 nan 8.240 nan 0.000 0.512 320 P HA 0.012 nan 4.420 nan 0.000 0.222 320 P C 1.216 178.482 177.300 -0.057 0.000 1.142 320 P CA 1.075 64.139 63.100 -0.060 0.000 0.788 320 P CB -0.179 31.495 31.700 -0.044 0.000 0.767 321 A N -1.028 121.748 122.820 -0.073 0.000 2.072 321 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 321 A C 2.030 179.583 177.584 -0.051 0.000 1.156 321 A CA 1.768 53.771 52.037 -0.056 0.000 0.701 321 A CB -1.149 17.817 19.000 -0.057 0.000 0.816 321 A HN 0.328 nan 8.150 nan 0.000 0.458 322 T N -5.018 109.492 114.554 -0.074 0.000 2.971 322 T HA 0.500 4.850 4.350 -0.001 0.000 0.252 322 T C 0.686 175.368 174.700 -0.031 0.000 1.022 322 T CA 0.803 62.876 62.100 -0.046 0.000 0.980 322 T CB 0.505 69.341 68.868 -0.054 0.000 1.044 322 T HN 0.985 nan 8.240 nan 0.000 0.501 323 G N 0.541 109.312 108.800 -0.048 0.000 2.576 323 G HA2 0.566 4.525 3.960 -0.001 0.000 0.290 323 G HA3 0.566 4.525 3.960 -0.001 0.000 0.290 323 G C -2.235 172.634 174.900 -0.053 0.000 1.442 323 G CA -1.086 43.989 45.100 -0.042 0.000 0.792 323 G HN 0.347 nan 8.290 nan 0.000 0.491 324 L N 0.376 121.571 121.223 -0.047 0.000 2.341 324 L HA 0.642 4.982 4.340 -0.001 0.000 0.278 324 L C -0.201 176.629 176.870 -0.066 0.000 1.005 324 L CA -1.214 53.597 54.840 -0.048 0.000 0.818 324 L CB 2.104 44.145 42.059 -0.030 0.000 1.259 324 L HN 0.268 nan 8.230 nan 0.000 0.418 325 V N 3.587 123.460 119.914 -0.069 0.000 2.439 325 V HA 0.466 4.586 4.120 -0.001 0.000 0.282 325 V C -0.102 175.964 176.094 -0.047 0.000 1.039 325 V CA -0.496 61.759 62.300 -0.076 0.000 0.913 325 V CB 2.077 33.852 31.823 -0.080 0.000 0.983 325 V HN 0.502 nan 8.190 nan 0.000 0.460 326 V N 3.305 123.196 119.914 -0.040 0.000 2.876 326 V HA 0.736 4.855 4.120 -0.001 0.000 0.312 326 V C 0.223 176.308 176.094 -0.015 0.000 1.085 326 V CA -0.191 62.095 62.300 -0.023 0.000 0.945 326 V CB 2.176 33.988 31.823 -0.018 0.000 1.017 326 V HN 1.077 nan 8.190 nan 0.000 0.428 327 E N 3.341 123.536 120.200 -0.008 0.000 2.220 327 E HA 0.397 4.747 4.350 -0.001 0.000 0.272 327 E C 1.261 177.863 176.600 0.003 0.000 1.099 327 E CA 0.168 56.567 56.400 -0.001 0.000 0.907 327 E CB 0.707 30.408 29.700 0.002 0.000 1.022 327 E HN 1.384 nan 8.360 nan 0.000 0.428 328 G N 1.318 110.123 108.800 0.008 0.000 2.469 328 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.220 328 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.220 328 G C 1.890 176.800 174.900 0.016 0.000 1.136 328 G CA 1.643 46.751 45.100 0.013 0.000 0.759 328 G HN 1.055 nan 8.290 nan 0.000 0.562 329 S N -0.328 115.382 115.700 0.017 0.000 2.522 329 S HA 0.006 4.476 4.470 -0.001 0.000 0.227 329 S C 0.900 175.508 174.600 0.014 0.000 0.986 329 S CA 0.522 58.733 58.200 0.019 0.000 0.929 329 S CB 0.146 63.359 63.200 0.021 0.000 0.769 329 S HN 0.195 nan 8.310 nan 0.000 0.529 330 D N 1.976 122.382 120.400 0.010 0.000 2.517 330 D HA 0.255 4.895 4.640 -0.001 0.000 0.220 330 D C 1.058 177.360 176.300 0.004 0.000 1.158 330 D CA -0.174 53.829 54.000 0.006 0.000 0.992 330 D CB 0.639 41.441 40.800 0.003 0.000 1.058 330 D HN 0.044 nan 8.370 nan 0.000 0.516 331 V N 2.838 122.756 119.914 0.006 0.000 2.407 331 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 331 V C 1.747 177.840 176.094 -0.001 0.000 1.055 331 V CA 1.451 63.753 62.300 0.003 0.000 1.049 331 V CB -0.212 31.615 31.823 0.007 0.000 0.662 331 V HN 0.399 nan 8.190 nan 0.000 0.455 332 D N -0.007 120.392 120.400 -0.001 0.000 2.104 332 D HA -0.188 4.451 4.640 -0.001 0.000 0.194 332 D C 2.188 178.484 176.300 -0.006 0.000 0.994 332 D CA 1.434 55.432 54.000 -0.003 0.000 0.830 332 D CB -0.235 40.564 40.800 -0.002 0.000 0.959 332 D HN 0.294 nan 8.370 nan 0.000 0.452 333 K N 0.352 120.749 120.400 -0.005 0.000 2.097 333 K HA -0.072 4.248 4.320 -0.001 0.000 0.205 333 K C 1.896 178.490 176.600 -0.010 0.000 1.050 333 K CA 0.458 56.741 56.287 -0.007 0.000 0.938 333 K CB -0.521 31.975 32.500 -0.006 0.000 0.718 333 K HN 0.058 nan 8.250 nan 0.000 0.442 334 L N 0.672 121.889 121.223 -0.010 0.000 2.017 334 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 334 L C 2.101 178.961 176.870 -0.017 0.000 1.073 334 L CA 2.461 57.293 54.840 -0.013 0.000 0.745 334 L CB -1.132 40.920 42.059 -0.012 0.000 0.894 334 L HN 0.402 nan 8.230 nan 0.000 0.432 335 S N -1.541 114.149 115.700 -0.016 0.000 2.382 335 S HA -0.243 4.227 4.470 -0.001 0.000 0.228 335 S C 1.934 176.523 174.600 -0.018 0.000 1.027 335 S CA 1.257 59.445 58.200 -0.019 0.000 0.991 335 S CB -0.746 62.444 63.200 -0.016 0.000 0.823 335 S HN 0.605 nan 8.310 nan 0.000 0.469 336 E N 0.462 120.654 120.200 -0.015 0.000 2.058 336 E HA -0.101 4.249 4.350 -0.001 0.000 0.194 336 E C 1.948 178.539 176.600 -0.015 0.000 0.997 336 E CA 1.295 57.687 56.400 -0.014 0.000 0.801 336 E CB -0.206 29.488 29.700 -0.011 0.000 0.746 336 E HN 0.332 nan 8.360 nan 0.000 0.450 337 L N 0.506 121.720 121.223 -0.015 0.000 2.042 337 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 337 L C 2.187 179.046 176.870 -0.018 0.000 1.076 337 L CA 1.466 56.297 54.840 -0.016 0.000 0.749 337 L CB -0.724 41.325 42.059 -0.016 0.000 0.893 337 L HN 0.227 nan 8.230 nan 0.000 0.432 338 L N -1.381 119.829 121.223 -0.022 0.000 1.994 338 L HA -0.257 4.083 4.340 -0.001 0.000 0.208 338 L C 2.442 179.297 176.870 -0.025 0.000 1.071 338 L CA 1.388 56.212 54.840 -0.026 0.000 0.745 338 L CB -0.477 41.561 42.059 -0.034 0.000 0.892 338 L HN 0.173 nan 8.230 nan 0.000 0.431 339 I N -0.273 120.282 120.570 -0.024 0.000 2.118 339 I HA -0.358 3.812 4.170 -0.001 0.000 0.241 339 I C 2.667 178.772 176.117 -0.019 0.000 1.070 339 I CA 1.676 62.962 61.300 -0.023 0.000 1.327 339 I CB -0.387 37.601 38.000 -0.020 0.000 1.034 339 I HN 0.363 nan 8.210 nan 0.000 0.405 340 E N 0.963 121.154 120.200 -0.016 0.000 2.049 340 E HA -0.248 4.101 4.350 -0.001 0.000 0.198 340 E C 2.302 178.895 176.600 -0.013 0.000 1.007 340 E CA 1.360 57.752 56.400 -0.013 0.000 0.809 340 E CB 0.052 29.745 29.700 -0.012 0.000 0.749 340 E HN 0.294 nan 8.360 nan 0.000 0.450 341 L N 0.751 121.966 121.223 -0.013 0.000 2.093 341 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 341 L C 2.502 179.365 176.870 -0.011 0.000 1.085 341 L CA 1.225 56.059 54.840 -0.010 0.000 0.755 341 L CB -0.940 41.114 42.059 -0.007 0.000 0.904 341 L HN 0.360 nan 8.230 nan 0.000 0.435 342 L N -0.547 120.666 121.223 -0.017 0.000 2.141 342 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 342 L C 1.691 178.549 176.870 -0.019 0.000 1.094 342 L CA 0.927 55.754 54.840 -0.022 0.000 0.763 342 L CB -0.393 41.647 42.059 -0.031 0.000 0.908 342 L HN 0.232 nan 8.230 nan 0.000 0.437 343 D N -0.920 119.470 120.400 -0.016 0.000 2.349 343 D HA -0.053 4.587 4.640 -0.001 0.000 0.224 343 D C 0.339 176.633 176.300 -0.010 0.000 1.029 343 D CA 0.745 54.737 54.000 -0.014 0.000 0.879 343 D CB 0.056 40.848 40.800 -0.013 0.000 0.906 343 D HN 0.118 nan 8.370 nan 0.000 0.528 344 D N -0.093 120.301 120.400 -0.009 0.000 2.502 344 D HA 0.107 4.747 4.640 -0.001 0.000 0.301 344 D C -1.700 174.598 176.300 -0.003 0.000 1.202 344 D CA -1.911 52.086 54.000 -0.006 0.000 0.878 344 D CB 1.317 42.114 40.800 -0.006 0.000 1.062 344 D HN -0.072 nan 8.370 nan 0.000 0.499 345 P HA -0.104 nan 4.420 nan 0.000 0.218 345 P C 1.835 179.137 177.300 0.002 0.000 1.149 345 P CA 0.569 63.669 63.100 -0.000 0.000 0.817 345 P CB 0.801 32.500 31.700 -0.001 0.000 0.785 346 I N -0.172 120.399 120.570 0.001 0.000 2.179 346 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 346 I C 3.047 179.166 176.117 0.003 0.000 1.088 346 I CA 1.367 62.668 61.300 0.002 0.000 1.357 346 I CB -0.535 37.466 38.000 0.001 0.000 1.051 346 I HN -0.144 nan 8.210 nan 0.000 0.409 347 R N 0.916 121.416 120.500 0.001 0.000 2.081 347 R HA -0.158 4.182 4.340 -0.001 0.000 0.235 347 R C 2.517 178.819 176.300 0.004 0.000 1.131 347 R CA 1.428 57.528 56.100 0.001 0.000 0.960 347 R CB -0.097 30.201 30.300 -0.002 0.000 0.856 347 R HN 0.296 nan 8.270 nan 0.000 0.436 348 R N -0.298 120.205 120.500 0.005 0.000 2.083 348 R HA -0.126 4.214 4.340 -0.001 0.000 0.237 348 R C 2.308 178.616 176.300 0.014 0.000 1.137 348 R CA 1.510 57.616 56.100 0.010 0.000 0.951 348 R CB -0.382 29.924 30.300 0.010 0.000 0.851 348 R HN 0.244 nan 8.270 nan 0.000 0.434 349 A N 1.143 123.970 122.820 0.012 0.000 1.902 349 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 349 A C 2.353 179.946 177.584 0.014 0.000 1.181 349 A CA 1.753 53.798 52.037 0.014 0.000 0.623 349 A CB -0.567 18.440 19.000 0.012 0.000 0.818 349 A HN 0.418 nan 8.150 nan 0.000 0.443 350 A N -0.863 121.963 122.820 0.010 0.000 1.930 350 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 350 A C 2.239 179.830 177.584 0.010 0.000 1.175 350 A CA 1.657 53.700 52.037 0.010 0.000 0.627 350 A CB -0.471 18.532 19.000 0.006 0.000 0.815 350 A HN 0.525 nan 8.150 nan 0.000 0.443 351 M N -0.725 118.880 119.600 0.009 0.000 2.132 351 M HA -0.060 4.419 4.480 -0.001 0.000 0.263 351 M C 2.303 178.614 176.300 0.017 0.000 1.065 351 M CA 1.326 56.630 55.300 0.008 0.000 1.122 351 M CB -0.453 32.151 32.600 0.006 0.000 1.365 351 M HN 0.513 nan 8.290 nan 0.000 0.411 352 G N -0.054 108.759 108.800 0.022 0.000 2.418 352 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.217 352 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.217 352 G C 1.610 176.528 174.900 0.030 0.000 1.158 352 G CA 0.941 46.057 45.100 0.027 0.000 0.771 352 G HN 0.524 nan 8.290 nan 0.000 0.545 353 A N 1.243 124.079 122.820 0.027 0.000 1.902 353 A HA 0.226 4.546 4.320 -0.001 0.000 0.217 353 A C 2.820 180.427 177.584 0.038 0.000 1.181 353 A CA 2.367 54.422 52.037 0.030 0.000 0.623 353 A CB -0.833 18.181 19.000 0.024 0.000 0.818 353 A HN 0.809 nan 8.150 nan 0.000 0.443 354 A N -0.517 122.323 122.820 0.034 0.000 1.933 354 A HA 0.131 4.451 4.320 -0.001 0.000 0.218 354 A C 2.414 180.042 177.584 0.073 0.000 1.175 354 A CA 1.914 53.976 52.037 0.041 0.000 0.628 354 A CB -1.394 17.614 19.000 0.015 0.000 0.814 354 A HN 0.739 nan 8.150 nan 0.000 0.444 355 G N -0.254 108.582 108.800 0.061 0.000 2.446 355 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.217 355 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.217 355 G C 1.713 176.670 174.900 0.096 0.000 1.168 355 G CA 1.375 46.525 45.100 0.083 0.000 0.771 355 G HN 0.538 nan 8.290 nan 0.000 0.551 356 R N 1.185 121.724 120.500 0.065 0.000 2.073 356 R HA 0.079 4.419 4.340 -0.001 0.000 0.234 356 R C 2.769 179.113 176.300 0.074 0.000 1.134 356 R CA 1.973 58.107 56.100 0.057 0.000 0.952 356 R CB -0.993 29.334 30.300 0.045 0.000 0.850 356 R HN 0.248 nan 8.270 nan 0.000 0.433 357 A N -0.040 122.831 122.820 0.085 0.000 1.933 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 357 A C 2.272 179.937 177.584 0.136 0.000 1.175 357 A CA 1.767 53.858 52.037 0.090 0.000 0.628 357 A CB -1.024 18.023 19.000 0.077 0.000 0.814 357 A HN 0.682 nan 8.150 nan 0.000 0.444 358 H N 0.157 119.268 119.070 0.069 0.000 2.353 358 H HA -0.116 4.439 4.556 -0.001 0.000 0.300 358 H C 2.081 177.530 175.328 0.202 0.000 1.090 358 H CA 2.265 58.385 56.048 0.119 0.000 1.327 358 H CB 0.098 29.933 29.762 0.121 0.000 1.383 358 H HN 0.386 nan 8.280 nan 0.000 0.508 359 V N -1.095 118.858 119.914 0.065 0.000 2.548 359 V HA -0.114 4.006 4.120 -0.001 0.000 0.249 359 V C 1.925 178.038 176.094 0.033 0.000 1.055 359 V CA 1.649 63.981 62.300 0.053 0.000 1.065 359 V CB -0.514 31.305 31.823 -0.006 0.000 0.681 359 V HN 0.305 nan 8.190 nan 0.000 0.462 360 E N 1.307 121.525 120.200 0.031 0.000 2.077 360 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 360 E C 2.342 178.939 176.600 -0.004 0.000 0.989 360 E CA 1.472 57.883 56.400 0.019 0.000 0.800 360 E CB -0.311 29.407 29.700 0.031 0.000 0.746 360 E HN 0.726 nan 8.360 nan 0.000 0.452 361 A N 0.517 123.334 122.820 -0.006 0.000 1.970 361 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 361 A C 1.601 179.123 177.584 -0.104 0.000 1.170 361 A CA 1.118 53.138 52.037 -0.028 0.000 0.645 361 A CB 0.133 19.142 19.000 0.015 0.000 0.816 361 A HN 0.090 nan 8.150 nan 0.000 0.447 362 E N -3.919 116.168 120.200 -0.188 0.000 2.702 362 E HA 0.117 4.467 4.350 -0.001 0.000 0.225 362 E C 0.179 176.382 176.600 -0.661 0.000 0.942 362 E CA -0.188 55.962 56.400 -0.417 0.000 1.210 362 E CB 0.439 29.838 29.700 -0.502 0.000 1.143 362 E HN 0.727 nan 8.360 nan 0.000 0.544 363 W N 0.627 121.766 121.300 -0.269 0.000 2.555 363 W HA 0.157 4.817 4.660 -0.000 0.000 0.324 363 W C 0.766 177.059 176.519 -0.377 0.000 0.973 363 W CA -0.212 56.942 57.345 -0.319 0.000 1.481 363 W CB 0.741 30.001 29.460 -0.333 0.000 1.064 363 W HN -0.108 nan 8.180 nan 0.000 0.543 364 S N -0.594 115.048 115.700 -0.096 0.000 2.580 364 S HA -0.084 4.386 4.470 -0.001 0.000 0.266 364 S C 0.627 175.101 174.600 -0.210 0.000 1.354 364 S CA -0.206 57.916 58.200 -0.130 0.000 1.008 364 S CB 0.507 63.695 63.200 -0.020 0.000 0.898 364 S HN 0.310 nan 8.310 nan 0.000 0.555 365 W N 0.448 121.721 121.300 -0.045 0.000 2.425 365 W HA 0.053 4.713 4.660 -0.000 0.000 0.277 365 W C 2.986 179.457 176.519 -0.080 0.000 1.231 365 W CA 1.001 58.279 57.345 -0.112 0.000 1.248 365 W CB -0.826 28.564 29.460 -0.116 0.000 1.117 365 W HN 1.015 nan 8.180 nan 0.000 0.568 366 E N 0.680 120.972 120.200 0.153 0.000 2.051 366 E HA -0.211 4.138 4.350 -0.001 0.000 0.192 366 E C 1.546 178.171 176.600 0.040 0.000 0.991 366 E CA 1.875 58.326 56.400 0.085 0.000 0.799 366 E CB -0.822 28.912 29.700 0.057 0.000 0.748 366 E HN 0.161 nan 8.360 nan 0.000 0.449 367 I N 0.188 120.753 120.570 -0.008 0.000 2.179 367 I HA -0.195 3.975 4.170 -0.001 0.000 0.242 367 I C 2.614 178.705 176.117 -0.044 0.000 1.088 367 I CA 1.421 62.689 61.300 -0.054 0.000 1.357 367 I CB -0.875 37.053 38.000 -0.120 0.000 1.051 367 I HN 0.278 nan 8.210 nan 0.000 0.409 368 M N 0.444 120.015 119.600 -0.047 0.000 2.175 368 M HA -0.051 4.428 4.480 -0.001 0.000 0.264 368 M C 2.385 178.832 176.300 0.244 0.000 1.063 368 M CA 1.424 56.753 55.300 0.048 0.000 1.119 368 M CB -2.011 30.537 32.600 -0.088 0.000 1.377 368 M HN 0.253 nan 8.290 nan 0.000 0.415 369 G N 0.012 108.937 108.800 0.208 0.000 2.442 369 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.219 369 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.219 369 G C 1.561 176.529 174.900 0.113 0.000 1.141 369 G CA 0.746 45.968 45.100 0.205 0.000 0.763 369 G HN 0.509 nan 8.290 nan 0.000 0.554 370 E N 0.024 120.259 120.200 0.060 0.000 2.118 370 E HA -0.112 4.237 4.350 -0.001 0.000 0.195 370 E C 2.792 179.387 176.600 -0.009 0.000 0.992 370 E CA 0.552 56.960 56.400 0.014 0.000 0.804 370 E CB -0.090 29.607 29.700 -0.006 0.000 0.741 370 E HN 0.378 nan 8.360 nan 0.000 0.458 371 R N 0.214 120.711 120.500 -0.006 0.000 2.081 371 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 371 R C 2.480 178.721 176.300 -0.097 0.000 1.131 371 R CA 0.852 56.920 56.100 -0.055 0.000 0.960 371 R CB -0.353 29.905 30.300 -0.071 0.000 0.856 371 R HN 0.123 nan 8.270 nan 0.000 0.436 372 L N 0.761 121.943 121.223 -0.068 0.000 2.056 372 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 372 L C 1.976 178.754 176.870 -0.152 0.000 1.078 372 L CA 1.914 56.643 54.840 -0.185 0.000 0.749 372 L CB -0.663 41.326 42.059 -0.116 0.000 0.901 372 L HN 0.063 nan 8.230 nan 0.000 0.433 373 T N 0.278 114.794 114.554 -0.064 0.000 2.665 373 T HA -0.183 4.167 4.350 -0.001 0.000 0.268 373 T C 1.699 176.352 174.700 -0.078 0.000 1.035 373 T CA 1.700 63.766 62.100 -0.057 0.000 1.151 373 T CB -0.405 68.450 68.868 -0.022 0.000 0.862 373 T HN 0.382 nan 8.240 nan 0.000 0.438 374 N N 1.084 119.737 118.700 -0.078 0.000 2.104 374 N HA -0.006 4.734 4.740 -0.001 0.000 0.190 374 N C 1.862 177.307 175.510 -0.108 0.000 1.024 374 N CA 0.984 53.986 53.050 -0.081 0.000 0.853 374 N CB -0.533 37.911 38.487 -0.072 0.000 1.008 374 N HN 0.400 nan 8.380 nan 0.000 0.424 375 I N 0.700 121.178 120.570 -0.154 0.000 2.179 375 I HA -0.216 3.954 4.170 -0.001 0.000 0.242 375 I C 1.874 177.880 176.117 -0.185 0.000 1.088 375 I CA 0.962 62.146 61.300 -0.193 0.000 1.357 375 I CB -0.167 37.656 38.000 -0.294 0.000 1.051 375 I HN 0.059 nan 8.210 nan 0.000 0.409 376 L N -0.457 120.651 121.223 -0.191 0.000 2.240 376 L HA -0.082 4.258 4.340 -0.001 0.000 0.211 376 L C 2.039 178.852 176.870 -0.096 0.000 1.106 376 L CA 0.638 55.386 54.840 -0.154 0.000 0.793 376 L CB -0.359 41.608 42.059 -0.153 0.000 0.927 376 L HN 0.286 nan 8.230 nan 0.000 0.446 377 Q N -0.203 119.547 119.800 -0.083 0.000 2.282 377 Q HA 0.146 4.485 4.340 -0.001 0.000 0.206 377 Q C 0.807 176.777 176.000 -0.051 0.000 0.878 377 Q CA 0.067 55.835 55.803 -0.057 0.000 0.944 377 Q CB 0.705 29.416 28.738 -0.046 0.000 1.100 377 Q HN 0.456 nan 8.270 nan 0.000 0.509 378 S N 0.067 115.731 115.700 -0.060 0.000 2.601 378 S HA 0.481 4.951 4.470 -0.001 0.000 0.271 378 S C 0.361 174.934 174.600 -0.045 0.000 1.305 378 S CA -0.275 57.895 58.200 -0.050 0.000 1.022 378 S CB 1.017 64.184 63.200 -0.056 0.000 0.940 378 S HN 0.278 nan 8.310 nan 0.000 0.525 379 E N 1.347 121.526 120.200 -0.035 0.000 2.442 379 E HA 0.336 4.686 4.350 -0.001 0.000 0.262 379 E C -2.569 174.012 176.600 -0.032 0.000 1.004 379 E CA -1.649 54.733 56.400 -0.029 0.000 0.928 379 E CB -1.484 28.203 29.700 -0.022 0.000 0.937 379 E HN 0.692 nan 8.360 nan 0.000 0.446 380 P HA 0.104 nan 4.420 nan 0.000 0.266 380 P C 0.244 177.532 177.300 -0.019 0.000 1.195 380 P CA -0.142 62.944 63.100 -0.023 0.000 0.768 380 P CB 0.577 32.270 31.700 -0.011 0.000 0.838 381 R N 0.000 120.485 120.500 -0.025 0.000 2.786 381 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 381 R CA 0.000 56.086 56.100 -0.024 0.000 0.921 381 R CB 0.000 30.273 30.300 -0.046 0.000 0.687 381 R HN 0.000 nan 8.270 nan 0.000 0.535