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 3mkv_1_H DATA FIRST_RESID 2 DATA SEQUENCE TTFLFRNGAL LDPDHPDLLQ GFEILIEDGF IREVSDKPIK SSNAHVIDVK DATA SEQUENCE GKTIMPGLID LHVHVVAIEF NLPRVATLPN VLVTLRAVPI MRAMLRRGFT DATA SEQUENCE TVRDAGGAGY PFKQAVESGL VEGPRLFVSG RALSQTGGHA DPRARSDYMP DATA SEQUENCE PDSPCGCCVR VGALGRVADG VDEVRRAVRE ELQMGADQIX IMASGGVASP DATA SEQUENCE TDPVGVFGYS EDEIRAIVAE AQGRGTYVLA HAYTPAAIAR AVRCGVRTIE DATA SEQUENCE HGNLIDDETA RLVAEHGAYV VPTLVTYDAL ASEGEKYGLP PESIAKIADV DATA SEQUENCE HGAGLHSIEI MKRAGVKMGF GTDLLGEAQR LQSDEFRILA EVLSPAEVIA DATA SEQUENCE SATIVSAEVL GMQDKLGRIV PGAHADVLVV DGNPLKSVDC LLGQGEHIPL DATA SEQUENCE VMKDGRLFVN ELE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.695 174.700 -0.008 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.847 68.868 -0.036 0.000 0.612 3 T N 3.153 117.616 114.554 -0.152 0.000 2.797 3 T HA 0.757 5.106 4.350 -0.000 0.000 0.279 3 T C -1.249 173.286 174.700 -0.275 0.000 0.991 3 T CA -0.360 61.687 62.100 -0.088 0.000 0.979 3 T CB 0.537 69.377 68.868 -0.048 0.000 0.943 3 T HN 0.364 nan 8.240 nan 0.000 0.444 4 F N 2.449 122.447 119.950 0.081 0.000 2.518 4 F HA 0.604 5.131 4.527 -0.000 0.000 0.323 4 F C -0.600 175.222 175.800 0.036 0.000 1.129 4 F CA -1.194 56.832 58.000 0.044 0.000 0.920 4 F CB 1.802 40.839 39.000 0.061 0.000 1.160 4 F HN 0.303 nan 8.300 nan 0.000 0.440 5 L N 4.833 126.118 121.223 0.104 0.000 2.325 5 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 5 L C -1.632 175.219 176.870 -0.032 0.000 1.004 5 L CA -0.672 54.218 54.840 0.083 0.000 0.823 5 L CB 0.438 42.522 42.059 0.041 0.000 1.236 5 L HN 0.369 nan 8.230 nan 0.000 0.415 6 F N 5.297 125.314 119.950 0.111 0.000 2.410 6 F HA 0.660 5.187 4.527 -0.000 0.000 0.349 6 F C 0.533 176.372 175.800 0.064 0.000 1.117 6 F CA -0.099 57.952 58.000 0.084 0.000 1.104 6 F CB 1.099 40.141 39.000 0.070 0.000 1.122 6 F HN 0.491 nan 8.300 nan 0.000 0.483 7 R N 2.267 122.880 120.500 0.188 0.000 2.739 7 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 7 R C -0.306 176.055 176.300 0.101 0.000 1.010 7 R CA -0.515 55.658 56.100 0.122 0.000 0.897 7 R CB 1.472 31.809 30.300 0.061 0.000 1.236 7 R HN 0.664 nan 8.270 nan 0.000 0.466 8 N N -0.738 118.009 118.700 0.079 0.000 2.967 8 N HA -0.127 4.612 4.740 -0.000 0.000 0.241 8 N C -1.115 174.432 175.510 0.061 0.000 0.983 8 N CA 1.530 54.613 53.050 0.055 0.000 0.918 8 N CB -1.004 37.506 38.487 0.039 0.000 1.109 8 N HN 0.778 nan 8.380 nan 0.000 0.567 9 G N -1.597 107.252 108.800 0.082 0.000 2.685 9 G HA2 0.835 4.795 3.960 -0.000 0.000 0.298 9 G HA3 0.835 4.795 3.960 -0.000 0.000 0.298 9 G C -0.120 174.820 174.900 0.067 0.000 1.277 9 G CA -0.101 45.041 45.100 0.069 0.000 0.986 9 G HN 0.485 nan 8.290 nan 0.000 0.487 10 A N -1.066 121.780 122.820 0.044 0.000 2.262 10 A HA 0.740 5.060 4.320 -0.000 0.000 0.273 10 A C -0.364 177.234 177.584 0.024 0.000 1.202 10 A CA -0.190 51.872 52.037 0.041 0.000 0.811 10 A CB 0.523 19.532 19.000 0.016 0.000 1.159 10 A HN 1.230 nan 8.150 nan 0.000 0.505 11 L N -0.939 120.284 121.223 -0.000 0.000 2.472 11 L HA 0.672 5.012 4.340 -0.000 0.000 0.260 11 L C -1.545 175.265 176.870 -0.101 0.000 0.963 11 L CA -0.596 54.205 54.840 -0.065 0.000 0.829 11 L CB 1.802 43.801 42.059 -0.099 0.000 1.348 11 L HN 0.722 nan 8.230 nan 0.000 0.408 12 L N 3.646 124.798 121.223 -0.118 0.000 2.325 12 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 12 L C -1.511 175.291 176.870 -0.114 0.000 1.004 12 L CA -0.335 54.444 54.840 -0.103 0.000 0.823 12 L CB 1.418 43.421 42.059 -0.093 0.000 1.236 12 L HN 0.564 nan 8.230 nan 0.000 0.415 13 D N 6.255 126.599 120.400 -0.093 0.000 2.454 13 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 13 D C -1.982 174.306 176.300 -0.020 0.000 1.129 13 D CA -1.723 52.231 54.000 -0.076 0.000 0.877 13 D CB 2.322 43.059 40.800 -0.105 0.000 1.082 13 D HN 0.230 nan 8.370 nan 0.000 0.537 14 P HA -0.083 nan 4.420 nan 0.000 0.229 14 P C 0.169 177.473 177.300 0.006 0.000 1.150 14 P CA 0.862 63.955 63.100 -0.012 0.000 0.765 14 P CB 0.352 32.042 31.700 -0.017 0.000 0.783 15 D N -4.248 116.162 120.400 0.018 0.000 2.367 15 D HA -0.035 4.605 4.640 -0.000 0.000 0.207 15 D C 0.675 176.999 176.300 0.039 0.000 1.034 15 D CA 0.377 54.390 54.000 0.022 0.000 0.861 15 D CB -0.758 40.053 40.800 0.018 0.000 0.943 15 D HN 0.218 nan 8.370 nan 0.000 0.515 16 H N 0.839 119.891 119.070 -0.030 0.000 2.459 16 H HA 0.233 4.789 4.556 -0.000 0.000 0.332 16 H C -1.896 173.419 175.328 -0.022 0.000 1.094 16 H CA -1.831 54.203 56.048 -0.024 0.000 1.224 16 H CB 2.391 32.136 29.762 -0.029 0.000 1.449 16 H HN -0.271 nan 8.280 nan 0.000 0.484 17 P HA 0.007 nan 4.420 nan 0.000 0.230 17 P C -0.621 176.729 177.300 0.083 0.000 1.158 17 P CA 0.917 63.972 63.100 -0.074 0.000 0.769 17 P CB 0.497 32.097 31.700 -0.167 0.000 0.807 18 D N -0.834 119.787 120.400 0.368 0.000 2.619 18 D HA 0.242 4.882 4.640 -0.000 0.000 0.241 18 D C -0.268 176.125 176.300 0.156 0.000 1.087 18 D CA -0.737 53.419 54.000 0.260 0.000 0.851 18 D CB 1.536 42.510 40.800 0.290 0.000 1.474 18 D HN -0.225 nan 8.370 nan 0.000 0.478 19 L N 1.675 122.932 121.223 0.057 0.000 2.559 19 L HA 0.044 4.384 4.340 -0.000 0.000 0.274 19 L C 0.195 177.057 176.870 -0.014 0.000 1.205 19 L CA 0.435 55.277 54.840 0.004 0.000 0.907 19 L CB -0.085 41.975 42.059 0.003 0.000 1.153 19 L HN 0.211 nan 8.230 nan 0.000 0.490 20 L N 3.772 124.962 121.223 -0.055 0.000 2.452 20 L HA 0.256 4.595 4.340 -0.000 0.000 0.267 20 L C 0.167 177.150 176.870 0.189 0.000 1.188 20 L CA -0.249 54.607 54.840 0.027 0.000 0.821 20 L CB 0.572 42.534 42.059 -0.161 0.000 1.102 20 L HN 0.574 nan 8.230 nan 0.000 0.470 21 Q N -0.182 119.797 119.800 0.298 0.000 2.433 21 Q HA 0.512 4.852 4.340 -0.000 0.000 0.279 21 Q C 0.238 176.264 176.000 0.044 0.000 1.105 21 Q CA 0.191 56.090 55.803 0.160 0.000 0.815 21 Q CB 2.093 30.863 28.738 0.052 0.000 1.403 21 Q HN 0.701 nan 8.270 nan 0.000 0.435 22 G N 0.991 109.788 108.800 -0.005 0.000 2.225 22 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 22 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 22 G C -0.556 174.210 174.900 -0.224 0.000 1.024 22 G CA 0.369 45.396 45.100 -0.121 0.000 0.784 22 G HN 0.308 nan 8.290 nan 0.000 0.507 23 F N 0.474 120.423 119.950 -0.002 0.000 2.421 23 F HA 0.569 5.096 4.527 -0.000 0.000 0.337 23 F C 0.809 176.624 175.800 0.026 0.000 1.105 23 F CA -0.671 57.332 58.000 0.005 0.000 1.049 23 F CB 1.284 40.279 39.000 -0.009 0.000 1.139 23 F HN 0.098 nan 8.300 nan 0.000 0.479 24 E N 2.937 123.268 120.200 0.218 0.000 2.222 24 E HA 0.628 4.978 4.350 -0.000 0.000 0.267 24 E C -1.111 175.601 176.600 0.186 0.000 0.963 24 E CA -0.839 55.665 56.400 0.173 0.000 0.837 24 E CB 2.616 32.383 29.700 0.113 0.000 1.183 24 E HN 0.424 nan 8.360 nan 0.000 0.403 25 I N 2.725 123.412 120.570 0.195 0.000 2.468 25 I HA 0.178 4.348 4.170 -0.000 0.000 0.285 25 I C -1.291 174.963 176.117 0.229 0.000 1.039 25 I CA -0.704 60.709 61.300 0.190 0.000 1.074 25 I CB 1.400 39.499 38.000 0.166 0.000 1.228 25 I HN 0.207 nan 8.210 nan 0.000 0.436 26 L N 8.186 129.514 121.223 0.176 0.000 2.282 26 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 26 L C -0.831 176.157 176.870 0.196 0.000 1.033 26 L CA -0.123 54.822 54.840 0.174 0.000 0.807 26 L CB 0.821 42.953 42.059 0.121 0.000 1.209 26 L HN 0.329 nan 8.230 nan 0.000 0.423 27 I N 5.167 125.884 120.570 0.246 0.000 2.436 27 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 27 I C -0.521 175.745 176.117 0.248 0.000 1.010 27 I CA -0.381 61.080 61.300 0.269 0.000 1.098 27 I CB 1.738 39.964 38.000 0.376 0.000 1.266 27 I HN 0.749 nan 8.210 nan 0.000 0.434 28 E N 4.314 124.644 120.200 0.217 0.000 2.372 28 E HA 0.359 4.709 4.350 -0.000 0.000 0.279 28 E C -1.195 175.532 176.600 0.212 0.000 0.946 28 E CA -0.675 55.838 56.400 0.190 0.000 0.769 28 E CB 1.984 31.755 29.700 0.118 0.000 1.230 28 E HN 0.435 nan 8.360 nan 0.000 0.442 29 D N 1.099 121.620 120.400 0.202 0.000 2.837 29 D HA -0.206 4.434 4.640 -0.000 0.000 0.230 29 D C 0.918 177.443 176.300 0.376 0.000 1.152 29 D CA 2.092 56.225 54.000 0.223 0.000 0.736 29 D CB -1.375 39.513 40.800 0.147 0.000 1.084 29 D HN 1.159 nan 8.370 nan 0.000 0.429 30 G N -1.534 107.460 108.800 0.323 0.000 2.176 30 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.253 30 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.253 30 G C 0.232 175.185 174.900 0.089 0.000 0.979 30 G CA 0.433 45.672 45.100 0.233 0.000 0.641 30 G HN 0.465 nan 8.290 nan 0.000 0.530 31 F N 0.152 120.159 119.950 0.094 0.000 2.611 31 F HA 0.699 5.225 4.527 -0.000 0.000 0.324 31 F C 0.565 176.401 175.800 0.059 0.000 1.061 31 F CA -1.672 56.355 58.000 0.046 0.000 0.954 31 F CB 1.192 40.181 39.000 -0.019 0.000 1.301 31 F HN -0.172 nan 8.300 nan 0.000 0.482 32 I N 2.012 122.712 120.570 0.217 0.000 2.496 32 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 32 I C 0.841 177.043 176.117 0.142 0.000 1.080 32 I CA 0.166 61.555 61.300 0.149 0.000 1.404 32 I CB 1.130 39.181 38.000 0.085 0.000 1.403 32 I HN 0.709 nan 8.210 nan 0.000 0.539 33 R N 4.484 125.061 120.500 0.127 0.000 2.103 33 R HA 0.204 4.544 4.340 -0.000 0.000 0.212 33 R C 0.069 176.415 176.300 0.075 0.000 1.107 33 R CA 1.012 57.169 56.100 0.095 0.000 1.025 33 R CB 0.540 30.897 30.300 0.095 0.000 0.929 33 R HN 0.699 nan 8.270 nan 0.000 0.456 34 E N -1.180 119.071 120.200 0.084 0.000 2.383 34 E HA 0.411 4.761 4.350 -0.000 0.000 0.275 34 E C -1.600 175.054 176.600 0.089 0.000 0.918 34 E CA -0.889 55.557 56.400 0.077 0.000 0.764 34 E CB 3.055 32.799 29.700 0.074 0.000 1.252 34 E HN -0.174 nan 8.360 nan 0.000 0.449 35 V N 1.698 121.667 119.914 0.092 0.000 2.564 35 V HA 0.204 4.324 4.120 -0.000 0.000 0.259 35 V C -0.652 175.561 176.094 0.198 0.000 0.936 35 V CA -0.433 61.937 62.300 0.117 0.000 0.867 35 V CB 1.180 33.031 31.823 0.047 0.000 1.076 35 V HN 0.519 nan 8.190 nan 0.000 0.476 36 S N 1.373 117.190 115.700 0.194 0.000 2.549 36 S HA 0.445 4.915 4.470 -0.000 0.000 0.297 36 S C 0.797 175.472 174.600 0.125 0.000 1.115 36 S CA -0.455 57.845 58.200 0.166 0.000 1.059 36 S CB 1.526 64.775 63.200 0.081 0.000 1.046 36 S HN 0.820 nan 8.310 nan 0.000 0.506 37 D N 1.917 122.283 120.400 -0.057 0.000 2.349 37 D HA 0.070 4.710 4.640 -0.000 0.000 0.215 37 D C -0.298 175.889 176.300 -0.189 0.000 1.016 37 D CA 0.283 54.059 54.000 -0.375 0.000 0.870 37 D CB -0.087 40.265 40.800 -0.747 0.000 0.917 37 D HN 0.160 nan 8.370 nan 0.000 0.524 38 K N 1.983 122.333 120.400 -0.083 0.000 2.229 38 K HA 0.315 4.635 4.320 -0.000 0.000 0.247 38 K C -2.444 174.143 176.600 -0.022 0.000 1.117 38 K CA -1.850 54.406 56.287 -0.051 0.000 1.036 38 K CB 0.610 33.093 32.500 -0.029 0.000 1.654 38 K HN -0.030 nan 8.250 nan 0.000 0.405 39 P HA -0.188 nan 4.420 nan 0.000 0.271 39 P C -0.384 176.921 177.300 0.008 0.000 1.164 39 P CA 0.646 63.745 63.100 -0.000 0.000 0.758 39 P CB 0.257 31.952 31.700 -0.008 0.000 0.769 40 I N -1.628 118.955 120.570 0.021 0.000 2.828 40 I HA 0.631 4.801 4.170 -0.000 0.000 0.302 40 I C -0.707 175.421 176.117 0.018 0.000 1.101 40 I CA -1.404 59.909 61.300 0.021 0.000 1.031 40 I CB 2.736 40.755 38.000 0.033 0.000 1.231 40 I HN -0.020 nan 8.210 nan 0.000 0.427 41 K N 2.598 123.005 120.400 0.012 0.000 2.292 41 K HA 0.662 4.982 4.320 -0.000 0.000 0.257 41 K C -0.980 175.624 176.600 0.007 0.000 0.940 41 K CA -0.567 55.723 56.287 0.006 0.000 0.811 41 K CB 2.116 34.615 32.500 -0.001 0.000 1.120 41 K HN 0.580 nan 8.250 nan 0.000 0.428 42 S N 0.813 116.516 115.700 0.004 0.000 2.449 42 S HA 0.138 4.608 4.470 -0.000 0.000 0.310 42 S C 0.785 175.380 174.600 -0.009 0.000 1.096 42 S CA -0.690 57.512 58.200 0.003 0.000 1.095 42 S CB 1.640 64.846 63.200 0.009 0.000 1.007 42 S HN 0.658 nan 8.310 nan 0.000 0.474 43 S N 2.425 118.120 115.700 -0.009 0.000 2.382 43 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 43 S C 0.719 175.307 174.600 -0.020 0.000 1.027 43 S CA 1.253 59.445 58.200 -0.013 0.000 0.991 43 S CB -0.113 63.081 63.200 -0.010 0.000 0.823 43 S HN 0.623 nan 8.310 nan 0.000 0.469 44 N N 0.708 119.395 118.700 -0.022 0.000 2.844 44 N HA 0.588 5.328 4.740 -0.000 0.000 0.268 44 N C -1.227 174.255 175.510 -0.047 0.000 1.574 44 N CA 0.043 53.074 53.050 -0.032 0.000 0.838 44 N CB 1.254 39.726 38.487 -0.026 0.000 1.177 44 N HN 0.315 nan 8.380 nan 0.000 0.495 45 A N 0.554 123.340 122.820 -0.056 0.000 2.498 45 A HA 0.476 4.795 4.320 -0.000 0.000 0.298 45 A C -1.338 176.189 177.584 -0.095 0.000 1.075 45 A CA -0.648 51.340 52.037 -0.082 0.000 0.714 45 A CB 0.883 19.856 19.000 -0.045 0.000 1.299 45 A HN 0.585 nan 8.150 nan 0.000 0.407 46 H N 0.818 119.716 119.070 -0.286 0.000 2.652 46 H HA 0.526 5.082 4.556 -0.000 0.000 0.298 46 H C -0.480 174.767 175.328 -0.136 0.000 1.076 46 H CA 0.073 55.970 56.048 -0.252 0.000 1.360 46 H CB 0.690 30.185 29.762 -0.445 0.000 1.421 46 H HN 0.406 nan 8.280 nan 0.000 0.464 47 V N 7.035 126.715 119.914 -0.390 0.000 2.607 47 V HA 0.228 4.348 4.120 -0.000 0.000 0.289 47 V C 0.469 176.389 176.094 -0.290 0.000 1.053 47 V CA -0.548 61.598 62.300 -0.257 0.000 0.996 47 V CB 1.063 32.775 31.823 -0.185 0.000 0.995 47 V HN 0.685 nan 8.190 nan 0.000 0.476 48 I N 2.770 123.202 120.570 -0.231 0.000 2.466 48 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 48 I C -0.802 175.262 176.117 -0.089 0.000 1.026 48 I CA -0.382 60.790 61.300 -0.213 0.000 1.078 48 I CB 2.053 39.763 38.000 -0.483 0.000 1.249 48 I HN 0.515 nan 8.210 nan 0.000 0.429 49 D N 5.556 125.936 120.400 -0.034 0.000 2.412 49 D HA 0.229 4.869 4.640 -0.000 0.000 0.224 49 D C 0.817 177.148 176.300 0.051 0.000 1.093 49 D CA -0.179 53.826 54.000 0.009 0.000 0.850 49 D CB 2.024 42.821 40.800 -0.006 0.000 1.046 49 D HN 0.215 nan 8.370 nan 0.000 0.507 50 V N 3.911 123.877 119.914 0.087 0.000 2.548 50 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 50 V C 0.962 177.092 176.094 0.060 0.000 1.055 50 V CA 0.591 62.952 62.300 0.100 0.000 1.065 50 V CB -0.747 31.150 31.823 0.124 0.000 0.681 50 V HN 0.762 nan 8.190 nan 0.000 0.462 51 K N 0.114 120.541 120.400 0.045 0.000 3.419 51 K HA -0.245 4.075 4.320 -0.000 0.000 0.272 51 K C 1.031 177.647 176.600 0.026 0.000 0.973 51 K CA 0.293 56.598 56.287 0.030 0.000 0.749 51 K CB -1.846 30.669 32.500 0.024 0.000 1.403 51 K HN 0.839 nan 8.250 nan 0.000 0.456 52 G N -0.444 108.373 108.800 0.028 0.000 2.212 52 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.266 52 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.266 52 G C 0.347 175.257 174.900 0.017 0.000 0.978 52 G CA 0.919 46.031 45.100 0.020 0.000 0.632 52 G HN 0.380 nan 8.290 nan 0.000 0.537 53 K N 0.881 121.295 120.400 0.024 0.000 2.149 53 K HA 0.578 4.898 4.320 -0.000 0.000 0.245 53 K C 0.509 177.116 176.600 0.011 0.000 1.024 53 K CA 0.568 56.866 56.287 0.017 0.000 0.899 53 K CB 0.324 32.842 32.500 0.030 0.000 1.038 53 K HN 0.092 nan 8.250 nan 0.000 0.496 54 T N 2.106 116.654 114.554 -0.010 0.000 2.767 54 T HA 0.414 4.764 4.350 -0.000 0.000 0.284 54 T C -0.059 174.611 174.700 -0.050 0.000 0.973 54 T CA -0.490 61.593 62.100 -0.030 0.000 0.996 54 T CB 0.208 69.046 68.868 -0.050 0.000 0.927 54 T HN 0.308 nan 8.240 nan 0.000 0.456 55 I N 5.524 126.056 120.570 -0.063 0.000 2.287 55 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 55 I C 0.495 176.524 176.117 -0.147 0.000 1.069 55 I CA -0.427 60.794 61.300 -0.131 0.000 1.237 55 I CB 0.233 38.137 38.000 -0.160 0.000 1.418 55 I HN 0.541 nan 8.210 nan 0.000 0.481 56 M N 7.623 127.129 119.600 -0.156 0.000 2.724 56 M HA 0.760 5.240 4.480 -0.000 0.000 0.310 56 M C -2.830 173.373 176.300 -0.161 0.000 1.217 56 M CA -2.043 53.168 55.300 -0.149 0.000 0.894 56 M CB 2.021 34.536 32.600 -0.142 0.000 1.719 56 M HN -0.013 nan 8.290 nan 0.000 0.479 57 P HA 0.223 nan 4.420 nan 0.000 0.276 57 P C -0.032 177.200 177.300 -0.112 0.000 1.244 57 P CA -0.005 63.025 63.100 -0.118 0.000 0.801 57 P CB 0.369 32.017 31.700 -0.087 0.000 1.006 58 G N 1.709 110.452 108.800 -0.094 0.000 2.474 58 G HA2 0.195 4.155 3.960 -0.000 0.000 0.233 58 G HA3 0.195 4.155 3.960 -0.000 0.000 0.233 58 G C 0.111 174.970 174.900 -0.069 0.000 1.278 58 G CA -0.431 44.618 45.100 -0.085 0.000 0.861 58 G HN 0.414 nan 8.290 nan 0.000 0.567 59 L N 0.631 121.795 121.223 -0.099 0.000 2.439 59 L HA 0.492 4.832 4.340 -0.000 0.000 0.261 59 L C 0.307 177.280 176.870 0.172 0.000 1.153 59 L CA -0.361 54.451 54.840 -0.046 0.000 0.808 59 L CB 0.956 42.823 42.059 -0.320 0.000 1.126 59 L HN 0.318 nan 8.230 nan 0.000 0.460 60 I N 0.809 121.554 120.570 0.291 0.000 2.534 60 I HA 0.239 4.408 4.170 -0.000 0.000 0.288 60 I C -1.128 175.218 176.117 0.382 0.000 1.077 60 I CA -0.483 60.984 61.300 0.278 0.000 1.051 60 I CB 2.194 40.258 38.000 0.106 0.000 1.234 60 I HN 0.456 nan 8.210 nan 0.000 0.425 61 D N 6.628 127.168 120.400 0.233 0.000 2.381 61 D HA 0.342 4.981 4.640 -0.000 0.000 0.235 61 D C 0.219 176.494 176.300 -0.041 0.000 1.068 61 D CA -0.275 53.759 54.000 0.056 0.000 0.832 61 D CB 1.919 42.496 40.800 -0.372 0.000 1.101 61 D HN 0.480 nan 8.370 nan 0.000 0.515 62 L N 2.966 124.170 121.223 -0.032 0.000 2.591 62 L HA 0.131 4.471 4.340 -0.000 0.000 0.228 62 L C 0.265 177.094 176.870 -0.069 0.000 1.133 62 L CA 0.226 55.031 54.840 -0.057 0.000 0.880 62 L CB -0.100 41.935 42.059 -0.039 0.000 1.033 62 L HN 0.475 nan 8.230 nan 0.000 0.450 63 H N -0.505 118.429 119.070 -0.227 0.000 2.809 63 H HA 0.343 4.899 4.556 -0.000 0.000 0.268 63 H C -0.907 174.209 175.328 -0.353 0.000 1.403 63 H CA -0.629 55.252 56.048 -0.278 0.000 1.564 63 H CB 0.602 30.223 29.762 -0.235 0.000 1.834 63 H HN -0.081 nan 8.280 nan 0.000 0.613 64 V N 0.154 119.878 119.914 -0.318 0.000 3.166 64 V HA 0.607 4.727 4.120 -0.000 0.000 0.317 64 V C -0.434 175.337 176.094 -0.538 0.000 1.136 64 V CA -0.700 61.409 62.300 -0.319 0.000 1.035 64 V CB 2.379 34.046 31.823 -0.260 0.000 1.110 64 V HN 0.655 nan 8.190 nan 0.000 0.450 65 H N 0.759 119.753 119.070 -0.127 0.000 2.808 65 H HA 0.396 4.952 4.556 -0.000 0.000 0.268 65 H C 0.645 175.862 175.328 -0.185 0.000 1.306 65 H CA -0.296 55.666 56.048 -0.144 0.000 1.565 65 H CB 1.594 31.293 29.762 -0.106 0.000 1.632 65 H HN 0.506 nan 8.280 nan 0.000 0.525 66 V N 2.335 122.161 119.914 -0.148 0.000 2.324 66 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 66 V C 2.199 178.144 176.094 -0.249 0.000 1.060 66 V CA 2.350 64.501 62.300 -0.248 0.000 1.042 66 V CB -0.254 31.328 31.823 -0.402 0.000 0.650 66 V HN 0.594 nan 8.190 nan 0.000 0.450 67 V N -1.438 118.344 119.914 -0.220 0.000 3.490 67 V HA 0.530 4.650 4.120 -0.000 0.000 0.315 67 V C 0.843 176.875 176.094 -0.103 0.000 1.284 67 V CA 0.301 62.511 62.300 -0.150 0.000 1.233 67 V CB -0.720 31.056 31.823 -0.078 0.000 1.101 67 V HN 0.325 nan 8.190 nan 0.000 0.425 68 A N 1.542 124.298 122.820 -0.107 0.000 2.798 68 A HA 0.674 4.994 4.320 -0.000 0.000 0.316 68 A C 0.818 178.307 177.584 -0.159 0.000 1.506 68 A CA -0.219 51.740 52.037 -0.130 0.000 1.162 68 A CB -0.529 18.401 19.000 -0.117 0.000 1.138 68 A HN 0.874 nan 8.150 nan 0.000 0.532 69 I N -2.376 118.114 120.570 -0.133 0.000 3.956 69 I HA 0.383 4.553 4.170 -0.000 0.000 0.333 69 I C 0.285 176.322 176.117 -0.133 0.000 1.302 69 I CA 0.126 61.351 61.300 -0.126 0.000 1.122 69 I CB 0.108 38.062 38.000 -0.076 0.000 1.013 69 I HN 0.403 nan 8.210 nan 0.000 0.405 70 E N -0.434 119.679 120.200 -0.145 0.000 2.460 70 E HA 0.388 4.738 4.350 -0.000 0.000 0.277 70 E C -0.598 175.904 176.600 -0.163 0.000 1.010 70 E CA -0.757 55.581 56.400 -0.104 0.000 0.838 70 E CB 1.291 30.997 29.700 0.009 0.000 1.448 70 E HN -0.054 nan 8.360 nan 0.000 0.462 71 F N 0.483 120.422 119.950 -0.019 0.000 2.270 71 F HA 0.033 4.560 4.527 -0.000 0.000 0.295 71 F C 1.421 177.212 175.800 -0.014 0.000 1.087 71 F CA 0.304 58.298 58.000 -0.010 0.000 1.365 71 F CB 0.260 39.279 39.000 0.030 0.000 1.056 71 F HN 0.251 nan 8.300 nan 0.000 0.506 72 N N 1.759 120.559 118.700 0.167 0.000 2.549 72 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 72 N C 0.826 176.347 175.510 0.018 0.000 1.182 72 N CA 0.287 53.386 53.050 0.081 0.000 1.019 72 N CB 0.113 38.643 38.487 0.072 0.000 1.380 72 N HN 0.249 nan 8.380 nan 0.000 0.505 73 L N 3.894 125.109 121.223 -0.014 0.000 2.027 73 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 73 L C -0.531 176.305 176.870 -0.057 0.000 1.074 73 L CA 0.954 55.757 54.840 -0.062 0.000 0.745 73 L CB -1.324 40.667 42.059 -0.113 0.000 0.898 73 L HN 0.375 nan 8.230 nan 0.000 0.433 74 P HA -0.233 nan 4.420 nan 0.000 0.217 74 P C 1.462 178.746 177.300 -0.026 0.000 1.151 74 P CA 1.468 64.542 63.100 -0.043 0.000 0.849 74 P CB -0.126 31.553 31.700 -0.035 0.000 0.787 75 R N -0.118 120.374 120.500 -0.014 0.000 2.096 75 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 75 R C 1.788 178.083 176.300 -0.007 0.000 1.127 75 R CA 1.281 57.380 56.100 -0.003 0.000 0.968 75 R CB -0.715 29.591 30.300 0.011 0.000 0.861 75 R HN 0.017 nan 8.270 nan 0.000 0.440 76 V N 1.151 121.055 119.914 -0.017 0.000 2.490 76 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 76 V C 2.415 178.499 176.094 -0.017 0.000 1.061 76 V CA 1.752 64.040 62.300 -0.020 0.000 1.064 76 V CB -0.605 31.195 31.823 -0.038 0.000 0.670 76 V HN 0.523 nan 8.190 nan 0.000 0.461 77 A N 0.692 123.499 122.820 -0.023 0.000 2.067 77 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 77 A C 2.386 179.966 177.584 -0.007 0.000 1.158 77 A CA 2.102 54.129 52.037 -0.018 0.000 0.661 77 A CB -0.652 18.331 19.000 -0.027 0.000 0.801 77 A HN 0.645 nan 8.150 nan 0.000 0.452 78 T N -2.560 111.991 114.554 -0.005 0.000 3.057 78 T HA 0.347 4.697 4.350 -0.000 0.000 0.254 78 T C 0.649 175.351 174.700 0.004 0.000 1.094 78 T CA -0.231 61.870 62.100 0.001 0.000 1.088 78 T CB -0.445 68.425 68.868 0.003 0.000 0.934 78 T HN 0.219 nan 8.240 nan 0.000 0.497 79 L N 2.202 123.427 121.223 0.004 0.000 2.461 79 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 79 L C -2.130 174.745 176.870 0.008 0.000 1.197 79 L CA -2.150 52.694 54.840 0.007 0.000 0.836 79 L CB -0.058 42.005 42.059 0.007 0.000 1.105 79 L HN -0.002 nan 8.230 nan 0.000 0.477 80 P HA -0.019 nan 4.420 nan 0.000 0.263 80 P C 0.053 177.359 177.300 0.011 0.000 1.175 80 P CA 0.069 63.174 63.100 0.008 0.000 0.761 80 P CB 0.393 32.097 31.700 0.008 0.000 0.794 81 N N 1.849 120.553 118.700 0.007 0.000 2.036 81 N HA -0.139 4.601 4.740 -0.000 0.000 0.195 81 N C 1.699 177.215 175.510 0.010 0.000 1.037 81 N CA 1.188 54.243 53.050 0.008 0.000 0.855 81 N CB -0.972 37.511 38.487 -0.005 0.000 1.033 81 N HN 0.138 nan 8.380 nan 0.000 0.423 82 V N 2.170 122.085 119.914 0.003 0.000 2.278 82 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 82 V C 2.481 178.586 176.094 0.017 0.000 1.062 82 V CA 1.405 63.708 62.300 0.004 0.000 1.038 82 V CB -0.569 31.254 31.823 0.001 0.000 0.646 82 V HN 0.270 nan 8.190 nan 0.000 0.447 83 L N -0.645 120.589 121.223 0.018 0.000 1.994 83 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 83 L C 2.497 179.386 176.870 0.032 0.000 1.071 83 L CA 1.379 56.232 54.840 0.021 0.000 0.745 83 L CB -0.722 41.347 42.059 0.016 0.000 0.892 83 L HN 0.227 nan 8.230 nan 0.000 0.431 84 V N -0.444 119.493 119.914 0.038 0.000 2.287 84 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 84 V C 2.580 178.736 176.094 0.104 0.000 1.053 84 V CA 2.399 64.731 62.300 0.054 0.000 1.027 84 V CB -0.993 30.863 31.823 0.057 0.000 0.646 84 V HN 0.485 nan 8.190 nan 0.000 0.447 85 T N 0.384 115.017 114.554 0.132 0.000 2.720 85 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 85 T C 1.883 176.677 174.700 0.155 0.000 1.037 85 T CA 1.623 63.846 62.100 0.207 0.000 1.144 85 T CB -0.315 68.590 68.868 0.061 0.000 0.864 85 T HN 0.297 nan 8.240 nan 0.000 0.444 86 L N 0.061 121.331 121.223 0.080 0.000 2.156 86 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 86 L C 2.659 179.556 176.870 0.046 0.000 1.095 86 L CA 1.169 56.042 54.840 0.055 0.000 0.770 86 L CB -0.278 41.800 42.059 0.033 0.000 0.914 86 L HN 0.129 nan 8.230 nan 0.000 0.439 87 R N -0.634 119.888 120.500 0.036 0.000 2.310 87 R HA 0.091 4.431 4.340 -0.000 0.000 0.202 87 R C 1.974 178.270 176.300 -0.008 0.000 0.933 87 R CA 0.577 56.683 56.100 0.011 0.000 1.054 87 R CB 0.038 30.338 30.300 -0.000 0.000 0.985 87 R HN 0.242 nan 8.270 nan 0.000 0.489 88 A N 0.372 123.197 122.820 0.008 0.000 2.081 88 A HA 0.032 4.352 4.320 -0.000 0.000 0.214 88 A C 2.062 179.626 177.584 -0.033 0.000 1.158 88 A CA 0.286 52.289 52.037 -0.057 0.000 0.724 88 A CB 0.070 18.988 19.000 -0.136 0.000 0.826 88 A HN 0.050 nan 8.150 nan 0.000 0.463 89 V N 1.071 121.004 119.914 0.032 0.000 2.233 89 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 89 V C -0.127 175.974 176.094 0.011 0.000 1.050 89 V CA 2.680 65.002 62.300 0.038 0.000 1.010 89 V CB -1.538 30.318 31.823 0.055 0.000 0.637 89 V HN 0.377 nan 8.190 nan 0.000 0.444 90 P HA -0.124 nan 4.420 nan 0.000 0.218 90 P C 1.778 179.074 177.300 -0.007 0.000 1.148 90 P CA 1.515 64.620 63.100 0.010 0.000 0.822 90 P CB -0.053 31.650 31.700 0.005 0.000 0.784 91 I N -1.869 118.679 120.570 -0.037 0.000 2.252 91 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 91 I C 2.398 178.475 176.117 -0.067 0.000 1.102 91 I CA 1.482 62.745 61.300 -0.062 0.000 1.385 91 I CB -0.390 37.551 38.000 -0.099 0.000 1.064 91 I HN -0.090 nan 8.210 nan 0.000 0.414 92 M N -0.579 118.975 119.600 -0.077 0.000 2.175 92 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 92 M C 2.460 178.721 176.300 -0.066 0.000 1.063 92 M CA 1.515 56.763 55.300 -0.087 0.000 1.119 92 M CB -0.301 32.243 32.600 -0.094 0.000 1.377 92 M HN 0.108 nan 8.290 nan 0.000 0.415 93 R N 0.307 120.789 120.500 -0.029 0.000 2.070 93 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 93 R C 2.253 178.575 176.300 0.037 0.000 1.137 93 R CA 1.689 57.792 56.100 0.005 0.000 0.945 93 R CB -0.379 29.973 30.300 0.087 0.000 0.845 93 R HN 0.358 nan 8.270 nan 0.000 0.430 94 A N 0.901 123.750 122.820 0.048 0.000 1.927 94 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 94 A C 2.219 179.853 177.584 0.084 0.000 1.185 94 A CA 1.977 54.054 52.037 0.067 0.000 0.639 94 A CB -0.549 18.474 19.000 0.039 0.000 0.820 94 A HN 0.363 nan 8.150 nan 0.000 0.451 95 M N -1.643 117.987 119.600 0.050 0.000 2.086 95 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 95 M C 2.202 178.607 176.300 0.174 0.000 1.067 95 M CA 1.669 57.035 55.300 0.109 0.000 1.116 95 M CB -0.411 32.187 32.600 -0.004 0.000 1.348 95 M HN 0.462 nan 8.290 nan 0.000 0.407 96 L N 0.379 121.608 121.223 0.011 0.000 2.083 96 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 96 L C 2.430 179.289 176.870 -0.018 0.000 1.083 96 L CA 1.834 56.609 54.840 -0.108 0.000 0.752 96 L CB -0.654 41.131 42.059 -0.456 0.000 0.899 96 L HN 0.135 nan 8.230 nan 0.000 0.433 97 R N 0.236 120.795 120.500 0.098 0.000 2.120 97 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 97 R C 1.860 178.236 176.300 0.127 0.000 1.123 97 R CA 1.390 57.617 56.100 0.211 0.000 0.975 97 R CB -0.302 30.126 30.300 0.214 0.000 0.866 97 R HN 0.376 nan 8.270 nan 0.000 0.446 98 R N -0.787 119.793 120.500 0.134 0.000 2.363 98 R HA 0.206 4.546 4.340 -0.000 0.000 0.236 98 R C 0.663 176.905 176.300 -0.097 0.000 0.966 98 R CA 0.546 56.708 56.100 0.102 0.000 1.100 98 R CB 0.275 30.736 30.300 0.268 0.000 1.125 98 R HN 0.511 nan 8.270 nan 0.000 0.514 99 G N 0.724 109.467 108.800 -0.096 0.000 2.234 99 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.235 99 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.235 99 G C 0.043 174.787 174.900 -0.259 0.000 0.997 99 G CA -0.511 44.451 45.100 -0.229 0.000 0.623 99 G HN 0.257 nan 8.290 nan 0.000 0.514 100 F N 2.634 122.599 119.950 0.026 0.000 2.494 100 F HA 0.432 4.959 4.527 -0.000 0.000 0.369 100 F C 1.851 177.628 175.800 -0.039 0.000 1.098 100 F CA 0.869 58.878 58.000 0.015 0.000 1.154 100 F CB 1.065 40.090 39.000 0.040 0.000 1.103 100 F HN 0.111 nan 8.300 nan 0.000 0.549 101 T N -1.977 112.631 114.554 0.090 0.000 3.069 101 T HA 0.204 4.553 4.350 -0.000 0.000 0.252 101 T C 0.445 175.158 174.700 0.022 0.000 1.053 101 T CA -0.035 62.068 62.100 0.005 0.000 0.964 101 T CB -0.014 68.832 68.868 -0.037 0.000 1.005 101 T HN 0.436 nan 8.240 nan 0.000 0.532 102 T N 1.958 116.563 114.554 0.086 0.000 3.105 102 T HA 0.614 4.964 4.350 -0.000 0.000 0.321 102 T C -1.091 173.671 174.700 0.103 0.000 1.135 102 T CA -0.698 61.459 62.100 0.096 0.000 1.053 102 T CB 2.124 71.047 68.868 0.092 0.000 1.133 102 T HN 0.457 nan 8.240 nan 0.000 0.463 103 V N 0.956 120.917 119.914 0.080 0.000 3.007 103 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 103 V C -0.796 175.319 176.094 0.035 0.000 1.120 103 V CA -1.315 60.991 62.300 0.011 0.000 0.980 103 V CB 2.249 34.029 31.823 -0.071 0.000 1.033 103 V HN 0.861 nan 8.190 nan 0.000 0.429 104 R N 2.417 122.895 120.500 -0.037 0.000 2.246 104 R HA 0.343 4.683 4.340 -0.000 0.000 0.332 104 R C -0.803 175.415 176.300 -0.137 0.000 0.974 104 R CA -0.453 55.629 56.100 -0.031 0.000 0.837 104 R CB 0.934 31.195 30.300 -0.065 0.000 1.145 104 R HN 1.019 nan 8.270 nan 0.000 0.467 105 D N 3.169 123.500 120.400 -0.116 0.000 2.312 105 D HA 0.095 4.735 4.640 -0.000 0.000 0.252 105 D C 0.027 176.173 176.300 -0.257 0.000 1.150 105 D CA 0.145 54.022 54.000 -0.205 0.000 0.870 105 D CB 1.641 42.366 40.800 -0.125 0.000 1.153 105 D HN 0.689 nan 8.370 nan 0.000 0.457 106 A N 2.849 125.376 122.820 -0.489 0.000 2.379 106 A HA 0.509 4.829 4.320 -0.000 0.000 0.236 106 A C 0.744 178.302 177.584 -0.043 0.000 1.272 106 A CA 0.401 52.145 52.037 -0.489 0.000 0.886 106 A CB 0.050 18.285 19.000 -1.276 0.000 0.962 106 A HN 0.658 nan 8.150 nan 0.000 0.504 107 G N -2.849 105.996 108.800 0.076 0.000 2.220 107 G HA2 0.541 4.501 3.960 -0.000 0.000 0.232 107 G HA3 0.541 4.501 3.960 -0.000 0.000 0.232 107 G C 0.282 175.262 174.900 0.134 0.000 1.680 107 G CA 0.357 45.536 45.100 0.131 0.000 0.922 107 G HN 1.806 nan 8.290 nan 0.000 0.723 108 G N 0.750 109.578 108.800 0.047 0.000 2.601 108 G HA2 0.402 4.362 3.960 -0.000 0.000 0.233 108 G HA3 0.402 4.362 3.960 -0.000 0.000 0.233 108 G C 1.138 176.076 174.900 0.063 0.000 1.896 108 G CA 1.271 46.391 45.100 0.034 0.000 1.514 108 G HN 2.568 nan 8.290 nan 0.000 0.512 109 A N 1.429 124.268 122.820 0.032 0.000 2.565 109 A HA 0.571 4.891 4.320 -0.000 0.000 0.237 109 A C 1.075 178.756 177.584 0.161 0.000 1.053 109 A CA 1.990 54.096 52.037 0.115 0.000 0.755 109 A CB -0.068 18.858 19.000 -0.123 0.000 0.980 109 A HN 2.196 nan 8.150 nan 0.000 0.506 110 G N -0.640 108.313 108.800 0.254 0.000 3.075 110 G HA2 0.405 4.365 3.960 -0.000 0.000 0.253 110 G HA3 0.405 4.365 3.960 -0.000 0.000 0.253 110 G C 0.467 175.461 174.900 0.156 0.000 1.353 110 G CA 0.037 45.233 45.100 0.159 0.000 1.051 110 G HN 0.756 nan 8.290 nan 0.000 0.553 111 Y N 1.072 121.378 120.300 0.010 0.000 2.241 111 Y HA -0.096 4.454 4.550 -0.000 0.000 0.286 111 Y C -0.195 175.689 175.900 -0.026 0.000 1.166 111 Y CA 2.425 60.514 58.100 -0.019 0.000 1.203 111 Y CB -0.563 37.876 38.460 -0.036 0.000 0.977 111 Y HN 0.298 nan 8.280 nan 0.000 0.529 112 P HA -0.149 nan 4.420 nan 0.000 0.217 112 P C 1.364 178.515 177.300 -0.248 0.000 1.151 112 P CA 1.614 64.602 63.100 -0.186 0.000 0.828 112 P CB -0.232 31.352 31.700 -0.194 0.000 0.788 113 F N 0.557 120.436 119.950 -0.118 0.000 2.146 113 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 113 F C 2.437 178.135 175.800 -0.170 0.000 1.096 113 F CA 1.378 59.308 58.000 -0.116 0.000 1.275 113 F CB -0.818 38.131 39.000 -0.084 0.000 1.008 113 F HN -0.176 nan 8.300 nan 0.000 0.480 114 K N 0.685 121.061 120.400 -0.040 0.000 2.020 114 K HA -0.278 4.042 4.320 -0.000 0.000 0.212 114 K C 2.153 178.578 176.600 -0.293 0.000 1.050 114 K CA 2.163 58.331 56.287 -0.198 0.000 0.929 114 K CB -0.321 32.002 32.500 -0.296 0.000 0.714 114 K HN 0.484 nan 8.250 nan 0.000 0.443 115 Q N -0.516 119.015 119.800 -0.448 0.000 2.167 115 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 115 Q C 1.923 177.807 176.000 -0.193 0.000 0.970 115 Q CA 1.224 56.802 55.803 -0.375 0.000 0.855 115 Q CB -0.257 28.213 28.738 -0.447 0.000 0.911 115 Q HN 0.286 nan 8.270 nan 0.000 0.438 116 A N 1.425 124.154 122.820 -0.153 0.000 1.877 116 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 116 A C 2.388 179.940 177.584 -0.053 0.000 1.186 116 A CA 1.505 53.490 52.037 -0.086 0.000 0.620 116 A CB -0.836 18.122 19.000 -0.070 0.000 0.822 116 A HN 0.234 nan 8.150 nan 0.000 0.443 117 V N 0.074 119.960 119.914 -0.047 0.000 2.295 117 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 117 V C 2.431 178.485 176.094 -0.067 0.000 1.049 117 V CA 2.371 64.641 62.300 -0.050 0.000 1.024 117 V CB -0.861 30.925 31.823 -0.062 0.000 0.648 117 V HN 0.641 nan 8.190 nan 0.000 0.447 118 E N 0.465 120.607 120.200 -0.096 0.000 2.118 118 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 118 E C 2.166 178.733 176.600 -0.055 0.000 0.992 118 E CA 1.616 57.963 56.400 -0.089 0.000 0.804 118 E CB -0.184 29.444 29.700 -0.120 0.000 0.741 118 E HN 0.729 nan 8.360 nan 0.000 0.458 119 S N -1.201 114.466 115.700 -0.055 0.000 2.593 119 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 119 S C 1.535 176.126 174.600 -0.016 0.000 0.966 119 S CA 0.443 58.623 58.200 -0.032 0.000 0.914 119 S CB 0.573 63.751 63.200 -0.038 0.000 0.776 119 S HN 0.384 nan 8.310 nan 0.000 0.523 120 G N 0.955 109.746 108.800 -0.015 0.000 2.205 120 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 120 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 120 G C 0.607 175.511 174.900 0.007 0.000 0.980 120 G CA 0.393 45.495 45.100 0.003 0.000 0.632 120 G HN 0.622 nan 8.290 nan 0.000 0.533 121 L N -0.020 121.200 121.223 -0.005 0.000 2.089 121 L HA 0.345 4.684 4.340 -0.000 0.000 0.213 121 L C 1.281 178.157 176.870 0.010 0.000 1.079 121 L CA 2.440 57.278 54.840 -0.003 0.000 0.758 121 L CB -0.260 41.786 42.059 -0.020 0.000 0.891 121 L HN 0.607 nan 8.230 nan 0.000 0.433 122 V N -0.976 118.946 119.914 0.012 0.000 3.114 122 V HA 0.369 4.489 4.120 -0.000 0.000 0.308 122 V C -0.916 175.187 176.094 0.015 0.000 1.168 122 V CA -0.987 61.328 62.300 0.026 0.000 1.015 122 V CB 2.358 34.206 31.823 0.041 0.000 1.050 122 V HN 0.210 nan 8.190 nan 0.000 0.433 123 E N 2.081 122.294 120.200 0.021 0.000 2.179 123 E HA 0.739 5.089 4.350 -0.000 0.000 0.275 123 E C -0.114 176.419 176.600 -0.112 0.000 0.945 123 E CA -0.147 56.236 56.400 -0.028 0.000 0.792 123 E CB 2.095 31.840 29.700 0.074 0.000 1.125 123 E HN 1.044 nan 8.360 nan 0.000 0.397 124 G N 2.510 111.193 108.800 -0.195 0.000 2.315 124 G HA2 0.199 4.159 3.960 -0.000 0.000 0.294 124 G HA3 0.199 4.159 3.960 -0.000 0.000 0.294 124 G C -3.112 171.688 174.900 -0.167 0.000 1.300 124 G CA -0.936 44.052 45.100 -0.186 0.000 0.843 124 G HN 0.255 nan 8.290 nan 0.000 0.527 125 P HA 0.303 nan 4.420 nan 0.000 0.272 125 P C -0.156 177.106 177.300 -0.064 0.000 1.240 125 P CA -0.478 62.581 63.100 -0.069 0.000 0.791 125 P CB 0.520 32.212 31.700 -0.012 0.000 0.978 126 R N 1.388 121.861 120.500 -0.045 0.000 2.522 126 R HA 0.163 4.502 4.340 -0.000 0.000 0.284 126 R C -0.467 175.842 176.300 0.014 0.000 1.032 126 R CA 0.002 56.074 56.100 -0.047 0.000 1.049 126 R CB -0.490 29.792 30.300 -0.030 0.000 0.956 126 R HN 0.427 nan 8.270 nan 0.000 0.422 127 L N 5.478 126.664 121.223 -0.063 0.000 2.295 127 L HA 0.409 4.749 4.340 -0.000 0.000 0.285 127 L C -0.750 176.067 176.870 -0.089 0.000 1.035 127 L CA -0.664 54.163 54.840 -0.021 0.000 0.806 127 L CB 1.169 43.193 42.059 -0.059 0.000 1.214 127 L HN 0.551 nan 8.230 nan 0.000 0.426 128 F N 2.926 122.843 119.950 -0.054 0.000 2.325 128 F HA 0.355 4.882 4.527 -0.000 0.000 0.369 128 F C 0.325 176.092 175.800 -0.055 0.000 1.095 128 F CA -0.818 57.160 58.000 -0.037 0.000 1.082 128 F CB 1.571 40.555 39.000 -0.026 0.000 1.289 128 F HN 0.167 nan 8.300 nan 0.000 0.462 129 V N 0.019 119.966 119.914 0.055 0.000 2.617 129 V HA 0.532 4.652 4.120 -0.000 0.000 0.298 129 V C 0.418 176.515 176.094 0.006 0.000 1.048 129 V CA -0.340 61.974 62.300 0.023 0.000 0.964 129 V CB 1.655 33.498 31.823 0.034 0.000 1.004 129 V HN 0.634 nan 8.190 nan 0.000 0.466 130 S N 2.099 117.789 115.700 -0.018 0.000 2.524 130 S HA 0.471 4.941 4.470 -0.000 0.000 0.215 130 S C 1.189 175.780 174.600 -0.014 0.000 0.986 130 S CA 0.442 58.618 58.200 -0.039 0.000 0.911 130 S CB -0.042 63.122 63.200 -0.059 0.000 0.805 130 S HN 1.930 nan 8.310 nan 0.000 0.501 131 G N 2.481 111.290 108.800 0.014 0.000 2.550 131 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.277 131 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.277 131 G C -0.354 174.558 174.900 0.020 0.000 1.190 131 G CA -0.342 44.774 45.100 0.026 0.000 0.971 131 G HN 0.460 nan 8.290 nan 0.000 0.559 132 R N 0.772 121.280 120.500 0.014 0.000 2.357 132 R HA 0.595 4.935 4.340 -0.000 0.000 0.296 132 R C 0.825 177.130 176.300 0.009 0.000 1.052 132 R CA 0.052 56.157 56.100 0.009 0.000 0.988 132 R CB 1.115 31.418 30.300 0.005 0.000 1.025 132 R HN 1.019 nan 8.270 nan 0.000 0.469 133 A N 4.062 126.887 122.820 0.008 0.000 2.498 133 A HA 0.157 4.477 4.320 -0.000 0.000 0.239 133 A C 0.054 177.662 177.584 0.039 0.000 1.068 133 A CA -0.126 51.925 52.037 0.023 0.000 0.766 133 A CB 0.169 19.181 19.000 0.020 0.000 1.003 133 A HN 0.599 nan 8.150 nan 0.000 0.497 134 L N 2.067 123.341 121.223 0.085 0.000 2.312 134 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 134 L C 0.599 177.593 176.870 0.206 0.000 1.070 134 L CA -0.157 54.774 54.840 0.151 0.000 0.805 134 L CB 1.402 43.561 42.059 0.168 0.000 1.174 134 L HN 0.772 nan 8.230 nan 0.000 0.434 135 S N 2.140 117.931 115.700 0.152 0.000 2.546 135 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 135 S C -0.787 173.737 174.600 -0.127 0.000 1.121 135 S CA -0.873 57.289 58.200 -0.064 0.000 0.887 135 S CB 1.941 65.093 63.200 -0.080 0.000 1.094 135 S HN 0.662 nan 8.310 nan 0.000 0.474 136 Q N 2.024 121.494 119.800 -0.550 0.000 2.492 136 Q HA 0.352 4.692 4.340 -0.000 0.000 0.238 136 Q C -0.351 175.585 176.000 -0.107 0.000 1.045 136 Q CA -0.276 55.349 55.803 -0.296 0.000 0.934 136 Q CB -0.191 28.293 28.738 -0.424 0.000 1.276 136 Q HN 0.534 nan 8.270 nan 0.000 0.521 137 T N 1.257 115.796 114.554 -0.026 0.000 2.908 137 T HA 0.279 4.628 4.350 -0.000 0.000 0.301 137 T C 1.060 175.738 174.700 -0.037 0.000 1.019 137 T CA 1.121 63.209 62.100 -0.020 0.000 1.152 137 T CB -0.062 68.807 68.868 0.003 0.000 0.966 137 T HN 0.979 nan 8.240 nan 0.000 0.540 138 G N 2.504 111.281 108.800 -0.038 0.000 2.162 138 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 138 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 138 G C 0.547 175.427 174.900 -0.032 0.000 0.976 138 G CA 0.054 45.134 45.100 -0.033 0.000 0.655 138 G HN 1.121 nan 8.290 nan 0.000 0.533 139 G N -1.534 107.232 108.800 -0.056 0.000 2.535 139 G HA2 0.430 4.390 3.960 -0.000 0.000 0.282 139 G HA3 0.430 4.390 3.960 -0.000 0.000 0.282 139 G C 0.639 175.540 174.900 0.001 0.000 1.350 139 G CA 0.572 45.641 45.100 -0.051 0.000 1.039 139 G HN 0.535 nan 8.290 nan 0.000 0.509 140 H N -0.810 118.201 119.070 -0.097 0.000 2.495 140 H HA 0.177 4.733 4.556 -0.000 0.000 0.287 140 H C 2.073 177.329 175.328 -0.120 0.000 1.033 140 H CA 1.567 57.549 56.048 -0.111 0.000 1.307 140 H CB 0.072 29.710 29.762 -0.206 0.000 1.401 140 H HN 0.360 nan 8.280 nan 0.000 0.555 141 A N -0.229 122.473 122.820 -0.196 0.000 2.545 141 A HA 0.149 4.469 4.320 -0.000 0.000 0.277 141 A C 0.039 177.541 177.584 -0.136 0.000 1.301 141 A CA -0.010 51.894 52.037 -0.222 0.000 0.935 141 A CB -0.029 18.878 19.000 -0.154 0.000 1.093 141 A HN 0.330 nan 8.150 nan 0.000 0.519 142 D N 1.020 121.354 120.400 -0.109 0.000 2.443 142 D HA 0.260 4.900 4.640 -0.000 0.000 0.221 142 D C -1.632 174.623 176.300 -0.076 0.000 1.097 142 D CA -1.934 52.021 54.000 -0.075 0.000 0.865 142 D CB 1.489 42.255 40.800 -0.057 0.000 1.034 142 D HN 0.115 nan 8.370 nan 0.000 0.511 143 P HA -0.024 nan 4.420 nan 0.000 0.233 143 P C 0.187 177.453 177.300 -0.057 0.000 1.167 143 P CA 0.096 63.154 63.100 -0.069 0.000 0.770 143 P CB 0.398 32.060 31.700 -0.063 0.000 0.837 144 R N 0.530 120.995 120.500 -0.059 0.000 2.623 144 R HA 0.348 4.688 4.340 -0.000 0.000 0.271 144 R C 0.867 177.120 176.300 -0.078 0.000 1.043 144 R CA -0.242 55.815 56.100 -0.071 0.000 1.083 144 R CB 0.214 30.465 30.300 -0.083 0.000 0.974 144 R HN 0.094 nan 8.270 nan 0.000 0.436 145 A N 2.820 125.585 122.820 -0.091 0.000 2.310 145 A HA 0.199 4.519 4.320 -0.000 0.000 0.260 145 A C 0.049 177.567 177.584 -0.110 0.000 1.112 145 A CA -0.313 51.675 52.037 -0.082 0.000 0.804 145 A CB 0.364 19.323 19.000 -0.068 0.000 1.081 145 A HN 0.780 nan 8.150 nan 0.000 0.499 146 R N 0.044 120.493 120.500 -0.083 0.000 2.265 146 R HA 0.553 4.893 4.340 -0.000 0.000 0.319 146 R C -0.302 175.943 176.300 -0.092 0.000 1.006 146 R CA 0.395 56.444 56.100 -0.084 0.000 0.880 146 R CB 0.752 31.023 30.300 -0.048 0.000 1.077 146 R HN 0.823 nan 8.270 nan 0.000 0.454 147 S N 1.053 116.677 115.700 -0.126 0.000 2.873 147 S HA 0.103 4.573 4.470 -0.000 0.000 0.303 147 S C -0.988 173.582 174.600 -0.052 0.000 1.222 147 S CA -0.379 57.768 58.200 -0.088 0.000 0.923 147 S CB 0.905 64.023 63.200 -0.136 0.000 1.286 147 S HN 0.796 nan 8.310 nan 0.000 0.571 148 D N 0.318 120.755 120.400 0.063 0.000 2.325 148 D HA 0.195 4.835 4.640 -0.000 0.000 0.225 148 D C 0.116 176.530 176.300 0.191 0.000 1.096 148 D CA 0.133 54.197 54.000 0.107 0.000 0.844 148 D CB -0.543 40.325 40.800 0.113 0.000 0.925 148 D HN 0.501 nan 8.370 nan 0.000 0.513 149 Y N -2.842 117.459 120.300 0.001 0.000 2.597 149 Y HA 0.601 5.151 4.550 -0.000 0.000 0.340 149 Y C -1.034 174.866 175.900 0.001 0.000 1.097 149 Y CA -1.654 56.447 58.100 0.001 0.000 1.037 149 Y CB 1.236 39.697 38.460 0.001 0.000 1.305 149 Y HN -0.319 nan 8.280 nan 0.000 0.463 150 M N 4.996 124.614 119.600 0.031 0.000 2.055 150 M HA 0.359 4.839 4.480 -0.000 0.000 0.346 150 M C -2.664 173.677 176.300 0.068 0.000 1.074 150 M CA -1.824 53.452 55.300 -0.040 0.000 1.009 150 M CB 0.319 32.916 32.600 -0.005 0.000 1.423 150 M HN 0.606 nan 8.290 nan 0.000 0.410 151 P HA 0.446 nan 4.420 nan 0.000 0.275 151 P C -2.687 174.642 177.300 0.049 0.000 1.266 151 P CA -0.911 62.266 63.100 0.129 0.000 0.793 151 P CB -0.598 31.196 31.700 0.156 0.000 1.074 152 P HA 0.054 nan 4.420 nan 0.000 0.277 152 P C 0.319 177.626 177.300 0.012 0.000 1.240 152 P CA 0.002 63.118 63.100 0.027 0.000 0.798 152 P CB 0.712 32.429 31.700 0.028 0.000 0.979 153 D N 1.016 121.420 120.400 0.006 0.000 2.084 153 D HA -0.106 4.534 4.640 -0.000 0.000 0.194 153 D C 0.084 176.384 176.300 0.000 0.000 0.990 153 D CA 1.456 55.455 54.000 -0.002 0.000 0.826 153 D CB -0.158 40.643 40.800 0.000 0.000 0.971 153 D HN 0.201 nan 8.370 nan 0.000 0.453 154 S N 0.417 116.120 115.700 0.005 0.000 2.422 154 S HA 0.266 4.736 4.470 -0.000 0.000 0.308 154 S C -1.638 172.967 174.600 0.008 0.000 1.097 154 S CA -1.182 57.020 58.200 0.005 0.000 1.099 154 S CB 1.767 64.969 63.200 0.005 0.000 0.976 154 S HN 0.235 nan 8.310 nan 0.000 0.471 155 P HA -0.020 nan 4.420 nan 0.000 0.217 155 P C 1.083 178.387 177.300 0.007 0.000 1.151 155 P CA 0.906 64.012 63.100 0.010 0.000 0.828 155 P CB -0.010 31.695 31.700 0.009 0.000 0.788 156 C N -1.133 118.170 119.300 0.004 0.000 2.489 156 C HA 0.202 4.662 4.460 -0.000 0.000 0.279 156 C C 2.519 177.511 174.990 0.002 0.000 1.266 156 C CA 1.528 60.547 59.018 0.002 0.000 1.707 156 C CB -1.535 26.205 27.740 0.001 0.000 2.059 156 C HN 0.488 nan 8.230 nan 0.000 0.481 157 G N -0.584 108.218 108.800 0.003 0.000 3.444 157 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.222 157 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.222 157 G C 0.934 175.835 174.900 0.001 0.000 1.358 157 G CA 0.757 45.858 45.100 0.003 0.000 0.880 157 G HN 0.507 nan 8.290 nan 0.000 0.555 158 C N 0.887 120.187 119.300 -0.001 0.000 2.568 158 C HA 0.453 4.913 4.460 -0.000 0.000 0.284 158 C C 1.835 176.823 174.990 -0.004 0.000 1.338 158 C CA 0.265 59.281 59.018 -0.003 0.000 1.724 158 C CB -0.810 26.928 27.740 -0.004 0.000 2.131 158 C HN 0.704 nan 8.230 nan 0.000 0.513 159 C N 2.994 122.292 119.300 -0.003 0.000 2.482 159 C HA 0.462 4.922 4.460 -0.000 0.000 0.378 159 C C 0.578 175.567 174.990 -0.002 0.000 1.284 159 C CA -0.374 58.641 59.018 -0.004 0.000 1.826 159 C CB -0.866 26.871 27.740 -0.005 0.000 2.473 159 C HN 0.389 nan 8.230 nan 0.000 0.562 160 V N 6.754 126.667 119.914 -0.001 0.000 2.655 160 V HA 0.137 4.257 4.120 -0.000 0.000 0.300 160 V C 0.747 176.842 176.094 0.003 0.000 1.044 160 V CA 0.092 62.394 62.300 0.002 0.000 1.095 160 V CB 0.063 31.890 31.823 0.006 0.000 0.952 160 V HN 0.716 nan 8.190 nan 0.000 0.485 161 R N 3.525 124.028 120.500 0.005 0.000 2.390 161 R HA 0.247 4.586 4.340 -0.000 0.000 0.291 161 R C 0.975 177.288 176.300 0.021 0.000 1.070 161 R CA -0.419 55.686 56.100 0.008 0.000 1.014 161 R CB 0.975 31.277 30.300 0.004 0.000 1.007 161 R HN 0.537 nan 8.270 nan 0.000 0.466 162 V N 2.134 122.066 119.914 0.030 0.000 2.594 162 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 162 V C 2.036 178.177 176.094 0.077 0.000 1.069 162 V CA 2.400 64.743 62.300 0.071 0.000 1.082 162 V CB -0.514 31.354 31.823 0.075 0.000 0.680 162 V HN 1.001 nan 8.190 nan 0.000 0.469 163 G N -0.580 108.241 108.800 0.036 0.000 2.880 163 G HA2 0.272 4.232 3.960 -0.000 0.000 0.209 163 G HA3 0.272 4.232 3.960 -0.000 0.000 0.209 163 G C 0.661 175.553 174.900 -0.014 0.000 1.157 163 G CA 0.508 45.614 45.100 0.011 0.000 0.779 163 G HN 0.589 nan 8.290 nan 0.000 0.539 164 A N 0.426 123.241 122.820 -0.008 0.000 2.404 164 A HA 0.568 4.888 4.320 -0.000 0.000 0.273 164 A C 1.197 178.758 177.584 -0.038 0.000 1.144 164 A CA -0.364 51.657 52.037 -0.027 0.000 0.806 164 A CB 0.413 19.404 19.000 -0.016 0.000 1.080 164 A HN 0.220 nan 8.150 nan 0.000 0.509 165 L N 2.498 123.673 121.223 -0.081 0.000 2.375 165 L HA 0.187 4.527 4.340 -0.000 0.000 0.215 165 L C 1.386 178.209 176.870 -0.077 0.000 1.108 165 L CA 0.877 55.653 54.840 -0.106 0.000 0.830 165 L CB -0.301 41.621 42.059 -0.228 0.000 0.959 165 L HN 0.802 nan 8.230 nan 0.000 0.457 166 G N 0.189 108.945 108.800 -0.072 0.000 2.921 166 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 166 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 166 G C -1.371 173.513 174.900 -0.028 0.000 1.370 166 G CA -0.633 44.438 45.100 -0.049 0.000 0.847 166 G HN 0.121 nan 8.290 nan 0.000 0.532 167 R N -1.417 119.077 120.500 -0.009 0.000 2.643 167 R HA 0.629 4.969 4.340 -0.000 0.000 0.269 167 R C -1.855 174.458 176.300 0.021 0.000 1.037 167 R CA -0.764 55.338 56.100 0.003 0.000 0.894 167 R CB 1.641 31.948 30.300 0.011 0.000 1.238 167 R HN 0.379 nan 8.270 nan 0.000 0.459 168 V N 1.372 121.298 119.914 0.019 0.000 2.465 168 V HA 0.727 4.847 4.120 -0.000 0.000 0.279 168 V C -0.046 176.088 176.094 0.066 0.000 1.045 168 V CA -0.178 62.144 62.300 0.036 0.000 0.938 168 V CB 1.068 32.899 31.823 0.013 0.000 0.986 168 V HN 0.935 nan 8.190 nan 0.000 0.467 169 A N 4.074 126.969 122.820 0.125 0.000 2.427 169 A HA 0.789 5.109 4.320 -0.000 0.000 0.298 169 A C -1.334 176.374 177.584 0.206 0.000 1.036 169 A CA -0.710 51.404 52.037 0.129 0.000 0.701 169 A CB 1.475 20.534 19.000 0.099 0.000 1.250 169 A HN 0.828 nan 8.150 nan 0.000 0.412 170 D N 0.415 120.895 120.400 0.133 0.000 2.646 170 D HA 0.679 5.319 4.640 -0.000 0.000 0.245 170 D C 0.061 176.407 176.300 0.076 0.000 1.099 170 D CA 0.715 54.805 54.000 0.149 0.000 0.849 170 D CB 1.898 42.766 40.800 0.113 0.000 1.448 170 D HN 1.440 nan 8.370 nan 0.000 0.489 171 G N -0.219 108.619 108.800 0.062 0.000 2.788 171 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 171 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 171 G C 0.694 175.579 174.900 -0.024 0.000 1.147 171 G CA -0.570 44.542 45.100 0.020 0.000 0.755 171 G HN 0.416 nan 8.290 nan 0.000 0.634 172 V N 1.569 121.464 119.914 -0.032 0.000 2.250 172 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 172 V C 2.689 178.755 176.094 -0.047 0.000 1.060 172 V CA 2.942 65.210 62.300 -0.053 0.000 1.030 172 V CB -0.585 31.215 31.823 -0.038 0.000 0.643 172 V HN 0.829 nan 8.190 nan 0.000 0.445 173 D N -0.581 119.803 120.400 -0.027 0.000 2.092 173 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 173 D C 2.239 178.525 176.300 -0.023 0.000 0.994 173 D CA 1.527 55.514 54.000 -0.023 0.000 0.828 173 D CB -0.283 40.509 40.800 -0.013 0.000 0.963 173 D HN 0.550 nan 8.370 nan 0.000 0.450 174 E N -0.031 120.160 120.200 -0.016 0.000 2.097 174 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 174 E C 2.190 178.775 176.600 -0.025 0.000 1.000 174 E CA 1.470 57.864 56.400 -0.009 0.000 0.804 174 E CB 0.173 29.879 29.700 0.010 0.000 0.740 174 E HN 0.252 nan 8.360 nan 0.000 0.454 175 V N -1.393 118.487 119.914 -0.056 0.000 2.591 175 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 175 V C 2.299 178.342 176.094 -0.085 0.000 1.053 175 V CA 1.545 63.785 62.300 -0.100 0.000 1.068 175 V CB -0.491 31.193 31.823 -0.232 0.000 0.689 175 V HN 0.120 nan 8.190 nan 0.000 0.462 176 R N 0.333 120.790 120.500 -0.071 0.000 2.073 176 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 176 R C 2.700 178.975 176.300 -0.042 0.000 1.134 176 R CA 1.908 57.974 56.100 -0.056 0.000 0.952 176 R CB -0.313 29.959 30.300 -0.046 0.000 0.850 176 R HN 0.518 nan 8.270 nan 0.000 0.433 177 R N -0.107 120.373 120.500 -0.033 0.000 2.083 177 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 177 R C 2.150 178.435 176.300 -0.024 0.000 1.137 177 R CA 1.721 57.806 56.100 -0.025 0.000 0.951 177 R CB -0.300 29.989 30.300 -0.018 0.000 0.851 177 R HN 0.293 nan 8.270 nan 0.000 0.434 178 A N 0.014 122.820 122.820 -0.023 0.000 1.902 178 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 178 A C 2.250 179.819 177.584 -0.025 0.000 1.181 178 A CA 1.706 53.733 52.037 -0.017 0.000 0.623 178 A CB -0.571 18.424 19.000 -0.007 0.000 0.818 178 A HN 0.230 nan 8.150 nan 0.000 0.443 179 V N -0.135 119.757 119.914 -0.036 0.000 2.407 179 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 179 V C 2.612 178.683 176.094 -0.039 0.000 1.055 179 V CA 2.286 64.561 62.300 -0.041 0.000 1.049 179 V CB -0.860 30.932 31.823 -0.052 0.000 0.662 179 V HN 0.520 nan 8.190 nan 0.000 0.455 180 R N -0.177 120.301 120.500 -0.036 0.000 2.092 180 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 180 R C 2.354 178.632 176.300 -0.036 0.000 1.119 180 R CA 1.567 57.646 56.100 -0.035 0.000 0.970 180 R CB -0.248 30.033 30.300 -0.032 0.000 0.864 180 R HN 0.637 nan 8.270 nan 0.000 0.440 181 E N 0.288 120.470 120.200 -0.031 0.000 2.051 181 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 181 E C 1.908 178.488 176.600 -0.033 0.000 0.991 181 E CA 0.859 57.241 56.400 -0.030 0.000 0.799 181 E CB 0.042 29.730 29.700 -0.021 0.000 0.748 181 E HN 0.239 nan 8.360 nan 0.000 0.449 182 E N 0.878 121.060 120.200 -0.029 0.000 2.085 182 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 182 E C 2.268 178.842 176.600 -0.042 0.000 0.994 182 E CA 0.805 57.188 56.400 -0.028 0.000 0.801 182 E CB -0.262 29.424 29.700 -0.024 0.000 0.743 182 E HN 0.314 nan 8.360 nan 0.000 0.453 183 L N 0.693 121.886 121.223 -0.050 0.000 2.027 183 L HA -0.248 4.092 4.340 -0.000 0.000 0.206 183 L C 2.782 179.602 176.870 -0.084 0.000 1.074 183 L CA 1.609 56.412 54.840 -0.062 0.000 0.745 183 L CB -0.527 41.500 42.059 -0.054 0.000 0.898 183 L HN 0.158 nan 8.230 nan 0.000 0.433 184 Q N 0.139 119.894 119.800 -0.075 0.000 2.124 184 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 184 Q C 1.938 177.865 176.000 -0.123 0.000 0.977 184 Q CA 1.772 57.520 55.803 -0.092 0.000 0.850 184 Q CB -0.478 28.220 28.738 -0.067 0.000 0.901 184 Q HN 0.423 nan 8.270 nan 0.000 0.429 185 M N -0.446 119.097 119.600 -0.095 0.000 2.632 185 M HA 0.112 4.592 4.480 -0.000 0.000 0.256 185 M C 0.543 176.754 176.300 -0.149 0.000 1.080 185 M CA 1.064 56.308 55.300 -0.093 0.000 1.084 185 M CB 0.047 32.627 32.600 -0.033 0.000 1.439 185 M HN 0.644 nan 8.290 nan 0.000 0.509 186 G N 0.384 109.065 108.800 -0.199 0.000 2.143 186 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.175 186 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.175 186 G C 0.039 174.918 174.900 -0.035 0.000 1.004 186 G CA -0.173 44.750 45.100 -0.296 0.000 0.671 186 G HN 0.652 nan 8.290 nan 0.000 0.512 187 A N 0.182 122.988 122.820 -0.023 0.000 2.477 187 A HA 0.540 4.860 4.320 -0.000 0.000 0.246 187 A C 1.192 178.768 177.584 -0.013 0.000 1.078 187 A CA 0.729 52.766 52.037 0.000 0.000 0.770 187 A CB 0.331 19.317 19.000 -0.023 0.000 1.011 187 A HN 0.237 nan 8.150 nan 0.000 0.494 188 D N 0.186 120.588 120.400 0.003 0.000 2.289 188 D HA -0.012 4.628 4.640 -0.000 0.000 0.207 188 D C 0.743 177.018 176.300 -0.043 0.000 0.966 188 D CA 1.084 55.097 54.000 0.021 0.000 0.868 188 D CB 0.363 41.219 40.800 0.094 0.000 0.943 188 D HN 0.775 nan 8.370 nan 0.000 0.514 189 Q N -0.230 119.491 119.800 -0.132 0.000 2.738 189 Q HA 0.289 4.629 4.340 -0.000 0.000 0.301 189 Q C -1.530 174.323 176.000 -0.245 0.000 0.901 189 Q CA -0.688 54.912 55.803 -0.337 0.000 0.756 189 Q CB 1.437 29.748 28.738 -0.712 0.000 1.463 189 Q HN -0.172 nan 8.270 nan 0.000 0.432 193 M N 3.659 123.356 119.600 0.162 0.000 2.108 193 M HA 0.448 4.928 4.480 -0.000 0.000 0.347 193 M C 0.631 177.013 176.300 0.138 0.000 1.326 193 M CA -0.222 55.160 55.300 0.136 0.000 1.126 193 M CB 0.599 33.225 32.600 0.044 0.000 1.606 193 M HN 0.878 nan 8.290 nan 0.000 0.462 194 A N 2.217 125.152 122.820 0.192 0.000 2.500 194 A HA 0.477 4.797 4.320 -0.000 0.000 0.267 194 A C 0.649 178.331 177.584 0.163 0.000 1.290 194 A CA -0.003 52.124 52.037 0.151 0.000 0.928 194 A CB 0.338 19.405 19.000 0.112 0.000 1.066 194 A HN 0.719 nan 8.150 nan 0.000 0.516 195 S N -2.330 113.495 115.700 0.207 0.000 2.627 195 S HA 0.530 5.000 4.470 -0.000 0.000 0.268 195 S C 0.134 174.866 174.600 0.221 0.000 1.130 195 S CA 0.007 58.341 58.200 0.223 0.000 0.819 195 S CB 0.311 63.610 63.200 0.165 0.000 1.100 195 S HN 1.003 nan 8.310 nan 0.000 0.465 196 G N 0.157 109.068 108.800 0.185 0.000 2.636 196 G HA2 0.542 4.502 3.960 -0.000 0.000 0.246 196 G HA3 0.542 4.502 3.960 -0.000 0.000 0.246 196 G C 0.297 175.299 174.900 0.169 0.000 1.216 196 G CA 0.157 45.346 45.100 0.149 0.000 0.854 196 G HN 1.012 nan 8.290 nan 0.000 0.572 197 G N -1.697 107.092 108.800 -0.018 0.000 2.533 197 G HA2 0.454 4.414 3.960 -0.000 0.000 0.304 197 G HA3 0.454 4.414 3.960 -0.000 0.000 0.304 197 G C 0.572 175.517 174.900 0.075 0.000 1.263 197 G CA -0.256 44.617 45.100 -0.379 0.000 0.964 197 G HN 0.523 nan 8.290 nan 0.000 0.479 198 V N 0.991 121.005 119.914 0.167 0.000 2.283 198 V HA 0.065 4.185 4.120 -0.000 0.000 0.243 198 V C 2.139 178.352 176.094 0.197 0.000 1.039 198 V CA 2.030 64.420 62.300 0.151 0.000 1.016 198 V CB -0.436 31.481 31.823 0.156 0.000 0.650 198 V HN 0.833 nan 8.190 nan 0.000 0.449 199 A N 0.348 123.348 122.820 0.300 0.000 2.807 199 A HA 0.605 4.925 4.320 -0.000 0.000 0.307 199 A C 0.080 177.768 177.584 0.173 0.000 1.532 199 A CA 0.227 52.390 52.037 0.209 0.000 1.215 199 A CB -0.286 18.805 19.000 0.152 0.000 1.127 199 A HN 0.391 nan 8.150 nan 0.000 0.543 200 S N 2.194 117.972 115.700 0.130 0.000 2.565 200 S HA 0.482 4.952 4.470 -0.000 0.000 0.274 200 S C -2.339 172.287 174.600 0.042 0.000 1.144 200 S CA -0.679 57.557 58.200 0.060 0.000 0.849 200 S CB 1.719 65.001 63.200 0.137 0.000 1.103 200 S HN 0.327 nan 8.310 nan 0.000 0.455 201 P HA -0.106 nan 4.420 nan 0.000 0.213 201 P C 0.831 178.134 177.300 0.005 0.000 1.170 201 P CA 1.963 65.061 63.100 -0.002 0.000 0.902 201 P CB -0.021 31.666 31.700 -0.023 0.000 0.789 202 T N -1.688 112.870 114.554 0.007 0.000 3.019 202 T HA 0.030 4.380 4.350 -0.000 0.000 0.247 202 T C 0.196 174.906 174.700 0.017 0.000 0.992 202 T CA -0.018 62.083 62.100 0.002 0.000 1.036 202 T CB -0.412 68.447 68.868 -0.015 0.000 1.063 202 T HN 0.233 nan 8.240 nan 0.000 0.476 203 D N 3.534 123.957 120.400 0.038 0.000 2.383 203 D HA 0.205 4.845 4.640 -0.000 0.000 0.252 203 D C -2.834 173.498 176.300 0.054 0.000 1.166 203 D CA -1.755 52.273 54.000 0.048 0.000 0.879 203 D CB 0.804 41.651 40.800 0.077 0.000 1.164 203 D HN 0.116 nan 8.370 nan 0.000 0.462 204 P HA 0.013 nan 4.420 nan 0.000 0.273 204 P C 0.995 178.316 177.300 0.036 0.000 1.250 204 P CA -0.645 62.466 63.100 0.017 0.000 0.793 204 P CB 0.816 32.511 31.700 -0.008 0.000 1.011 205 V N 0.776 120.702 119.914 0.021 0.000 2.407 205 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 205 V C 2.361 178.498 176.094 0.072 0.000 1.041 205 V CA 2.551 64.885 62.300 0.057 0.000 1.040 205 V CB -1.496 30.301 31.823 -0.043 0.000 0.671 205 V HN 0.806 nan 8.190 nan 0.000 0.455 206 G N 0.441 109.243 108.800 0.004 0.000 2.484 206 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.218 206 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.218 206 G C 0.876 175.720 174.900 -0.093 0.000 1.130 206 G CA 0.836 45.918 45.100 -0.030 0.000 0.784 206 G HN 0.541 nan 8.290 nan 0.000 0.543 207 V N -1.466 118.406 119.914 -0.070 0.000 2.872 207 V HA 0.415 4.535 4.120 -0.000 0.000 0.307 207 V C 0.154 176.253 176.094 0.008 0.000 1.072 207 V CA -1.485 60.747 62.300 -0.115 0.000 1.148 207 V CB 0.208 32.010 31.823 -0.036 0.000 0.954 207 V HN 0.010 nan 8.190 nan 0.000 0.490 208 F N 2.467 122.433 119.950 0.027 0.000 2.418 208 F HA 0.670 5.197 4.527 -0.000 0.000 0.341 208 F C 1.149 176.952 175.800 0.005 0.000 1.120 208 F CA -0.265 57.752 58.000 0.028 0.000 1.232 208 F CB 0.738 39.757 39.000 0.032 0.000 1.175 208 F HN 0.865 nan 8.300 nan 0.000 0.569 209 G N 1.691 110.618 108.800 0.211 0.000 2.422 209 G HA2 0.507 4.467 3.960 -0.000 0.000 0.317 209 G HA3 0.507 4.467 3.960 -0.000 0.000 0.317 209 G C -1.718 173.210 174.900 0.046 0.000 1.210 209 G CA -0.450 44.652 45.100 0.004 0.000 0.930 209 G HN 0.644 nan 8.290 nan 0.000 0.468 210 Y N -0.129 120.223 120.300 0.087 0.000 2.521 210 Y HA -0.273 4.277 4.550 -0.000 0.000 0.021 210 Y C 1.208 177.126 175.900 0.030 0.000 1.717 210 Y CA 0.172 58.300 58.100 0.048 0.000 1.409 210 Y CB -0.665 37.812 38.460 0.027 0.000 2.055 210 Y HN 0.988 nan 8.280 nan 0.000 0.256 211 S N 0.994 116.830 115.700 0.226 0.000 2.624 211 S HA 0.215 4.685 4.470 -0.000 0.000 0.263 211 S C 0.772 175.401 174.600 0.050 0.000 1.287 211 S CA -0.162 58.100 58.200 0.105 0.000 0.990 211 S CB 1.453 64.703 63.200 0.083 0.000 0.950 211 S HN 0.691 nan 8.310 nan 0.000 0.561 212 E N 0.440 120.641 120.200 0.003 0.000 2.110 212 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 212 E C 1.073 177.658 176.600 -0.025 0.000 0.988 212 E CA 1.194 57.579 56.400 -0.025 0.000 0.804 212 E CB -0.175 29.503 29.700 -0.037 0.000 0.745 212 E HN 0.609 nan 8.360 nan 0.000 0.458 213 D N 0.952 121.343 120.400 -0.016 0.000 2.097 213 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 213 D C 1.771 178.039 176.300 -0.053 0.000 0.989 213 D CA 0.994 54.979 54.000 -0.026 0.000 0.827 213 D CB -0.085 40.708 40.800 -0.013 0.000 0.966 213 D HN 0.215 nan 8.370 nan 0.000 0.456 214 E N 0.150 120.311 120.200 -0.065 0.000 2.051 214 E HA -0.126 4.223 4.350 -0.000 0.000 0.192 214 E C 2.338 178.810 176.600 -0.213 0.000 0.991 214 E CA 0.614 56.913 56.400 -0.169 0.000 0.799 214 E CB -0.023 29.542 29.700 -0.226 0.000 0.748 214 E HN 0.309 nan 8.360 nan 0.000 0.449 215 I N 0.496 120.989 120.570 -0.128 0.000 2.252 215 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 215 I C 2.486 178.557 176.117 -0.076 0.000 1.102 215 I CA 1.025 62.269 61.300 -0.093 0.000 1.385 215 I CB -0.235 37.751 38.000 -0.023 0.000 1.064 215 I HN 0.020 nan 8.210 nan 0.000 0.414 216 R N 0.735 121.197 120.500 -0.063 0.000 2.096 216 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 216 R C 2.472 178.740 176.300 -0.053 0.000 1.127 216 R CA 1.474 57.544 56.100 -0.049 0.000 0.968 216 R CB -0.385 29.892 30.300 -0.039 0.000 0.861 216 R HN 0.376 nan 8.270 nan 0.000 0.440 217 A N 0.964 123.743 122.820 -0.070 0.000 1.898 217 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 217 A C 2.098 179.637 177.584 -0.075 0.000 1.181 217 A CA 1.158 53.153 52.037 -0.069 0.000 0.620 217 A CB -0.396 18.555 19.000 -0.081 0.000 0.819 217 A HN 0.181 nan 8.150 nan 0.000 0.442 218 I N -0.580 119.928 120.570 -0.102 0.000 2.202 218 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 218 I C 2.345 178.429 176.117 -0.055 0.000 1.091 218 I CA 1.064 62.307 61.300 -0.096 0.000 1.368 218 I CB -0.315 37.604 38.000 -0.135 0.000 1.058 218 I HN 0.142 nan 8.210 nan 0.000 0.410 219 V N 1.070 120.959 119.914 -0.041 0.000 2.332 219 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 219 V C 2.691 178.780 176.094 -0.008 0.000 1.055 219 V CA 2.057 64.349 62.300 -0.013 0.000 1.038 219 V CB -1.016 30.802 31.823 -0.008 0.000 0.651 219 V HN 0.509 nan 8.190 nan 0.000 0.450 220 A N -0.583 122.225 122.820 -0.019 0.000 1.877 220 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 220 A C 2.211 179.787 177.584 -0.014 0.000 1.186 220 A CA 1.595 53.624 52.037 -0.013 0.000 0.620 220 A CB -0.424 18.565 19.000 -0.018 0.000 0.822 220 A HN 0.502 nan 8.150 nan 0.000 0.443 221 E N 0.096 120.281 120.200 -0.025 0.000 2.038 221 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 221 E C 2.405 178.992 176.600 -0.022 0.000 1.000 221 E CA 1.348 57.733 56.400 -0.027 0.000 0.803 221 E CB -0.874 28.803 29.700 -0.038 0.000 0.750 221 E HN 0.541 nan 8.360 nan 0.000 0.448 222 A N 1.347 124.152 122.820 -0.025 0.000 1.927 222 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 222 A C 2.161 179.748 177.584 0.004 0.000 1.185 222 A CA 2.145 54.169 52.037 -0.023 0.000 0.639 222 A CB -0.669 18.315 19.000 -0.027 0.000 0.820 222 A HN 0.294 nan 8.150 nan 0.000 0.451 223 Q N -1.268 118.542 119.800 0.017 0.000 2.123 223 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 223 Q C 2.195 178.208 176.000 0.021 0.000 0.966 223 Q CA 0.875 56.697 55.803 0.032 0.000 0.845 223 Q CB -0.409 28.348 28.738 0.033 0.000 0.907 223 Q HN 0.695 nan 8.270 nan 0.000 0.439 224 G N 0.837 109.642 108.800 0.008 0.000 2.479 224 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 224 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 224 G C 1.404 176.306 174.900 0.004 0.000 1.115 224 G CA 0.529 45.631 45.100 0.004 0.000 0.757 224 G HN 0.151 nan 8.290 nan 0.000 0.560 225 R N -0.505 119.997 120.500 0.003 0.000 2.432 225 R HA 0.341 4.681 4.340 -0.000 0.000 0.260 225 R C 1.439 177.750 176.300 0.019 0.000 0.935 225 R CA 0.708 56.810 56.100 0.002 0.000 1.080 225 R CB 0.019 30.311 30.300 -0.012 0.000 1.155 225 R HN 0.268 nan 8.270 nan 0.000 0.531 226 G N 0.246 109.065 108.800 0.032 0.000 2.160 226 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 226 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 226 G C 0.057 175.006 174.900 0.082 0.000 1.022 226 G CA 0.703 45.835 45.100 0.054 0.000 0.741 226 G HN 0.442 nan 8.290 nan 0.000 0.508 227 T N -1.298 113.299 114.554 0.073 0.000 2.676 227 T HA 0.821 5.171 4.350 -0.000 0.000 0.269 227 T C -0.379 174.404 174.700 0.138 0.000 0.952 227 T CA 0.219 62.378 62.100 0.098 0.000 1.040 227 T CB 1.273 70.134 68.868 -0.012 0.000 1.352 227 T HN 1.223 nan 8.240 nan 0.000 0.554 228 Y N -1.607 118.703 120.300 0.015 0.000 2.715 228 Y HA 0.828 5.378 4.550 -0.000 0.000 0.331 228 Y C -1.515 174.388 175.900 0.004 0.000 1.197 228 Y CA -1.290 56.816 58.100 0.010 0.000 1.079 228 Y CB 0.617 39.083 38.460 0.011 0.000 1.298 228 Y HN 0.328 nan 8.280 nan 0.000 0.477 229 V N 3.062 123.066 119.914 0.150 0.000 2.483 229 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 229 V C -0.220 176.002 176.094 0.214 0.000 1.035 229 V CA -0.837 61.501 62.300 0.063 0.000 0.896 229 V CB 1.246 33.100 31.823 0.053 0.000 0.986 229 V HN 0.770 nan 8.190 nan 0.000 0.447 230 L N 2.613 123.904 121.223 0.113 0.000 2.331 230 L HA 1.068 5.408 4.340 -0.000 0.000 0.275 230 L C -0.172 176.751 176.870 0.088 0.000 1.022 230 L CA -0.586 54.337 54.840 0.139 0.000 0.812 230 L CB 1.776 43.910 42.059 0.125 0.000 1.257 230 L HN 0.619 nan 8.230 nan 0.000 0.435 231 A N 0.538 123.407 122.820 0.081 0.000 2.353 231 A HA 0.440 4.760 4.320 -0.000 0.000 0.299 231 A C -1.043 176.579 177.584 0.062 0.000 1.089 231 A CA -0.536 51.554 52.037 0.088 0.000 0.736 231 A CB 0.492 19.537 19.000 0.075 0.000 1.195 231 A HN 0.957 nan 8.150 nan 0.000 0.447 232 H N 2.156 121.225 119.070 -0.002 0.000 2.975 232 H HA 0.521 5.077 4.556 -0.000 0.000 0.303 232 H C -0.024 175.250 175.328 -0.091 0.000 1.023 232 H CA 1.120 57.136 56.048 -0.054 0.000 1.473 232 H CB 0.415 30.233 29.762 0.092 0.000 1.498 232 H HN 0.992 nan 8.280 nan 0.000 0.549 233 A N 4.867 127.397 122.820 -0.484 0.000 2.555 233 A HA 0.316 4.635 4.320 -0.000 0.000 0.297 233 A C -1.432 175.907 177.584 -0.408 0.000 1.060 233 A CA -0.736 51.098 52.037 -0.338 0.000 0.710 233 A CB 0.418 19.365 19.000 -0.088 0.000 1.282 233 A HN 0.687 nan 8.150 nan 0.000 0.399 234 Y N 0.860 121.118 120.300 -0.070 0.000 2.506 234 Y HA 0.175 4.725 4.550 -0.000 0.000 0.287 234 Y C 1.962 177.849 175.900 -0.022 0.000 1.147 234 Y CA 1.299 59.362 58.100 -0.062 0.000 1.241 234 Y CB 0.072 38.476 38.460 -0.094 0.000 1.279 234 Y HN 0.745 nan 8.280 nan 0.000 0.527 235 T N -1.667 112.990 114.554 0.172 0.000 2.922 235 T HA 0.242 4.592 4.350 -0.000 0.000 0.285 235 T C -2.043 172.720 174.700 0.105 0.000 1.005 235 T CA -2.179 59.994 62.100 0.121 0.000 1.061 235 T CB 1.985 70.925 68.868 0.121 0.000 1.007 235 T HN -0.200 nan 8.240 nan 0.000 0.502 236 P HA -0.169 nan 4.420 nan 0.000 0.216 236 P C 1.697 179.045 177.300 0.081 0.000 1.157 236 P CA 1.957 65.094 63.100 0.063 0.000 0.880 236 P CB -0.278 31.451 31.700 0.048 0.000 0.791 237 A N -0.153 122.748 122.820 0.135 0.000 1.858 237 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 237 A C 2.384 180.037 177.584 0.116 0.000 1.190 237 A CA 2.485 54.632 52.037 0.182 0.000 0.617 237 A CB -1.702 17.520 19.000 0.370 0.000 0.827 237 A HN 0.198 nan 8.150 nan 0.000 0.443 238 A N -0.255 122.727 122.820 0.270 0.000 1.908 238 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 238 A C 2.133 179.722 177.584 0.009 0.000 1.181 238 A CA 1.711 53.832 52.037 0.139 0.000 0.627 238 A CB -0.666 18.508 19.000 0.290 0.000 0.818 238 A HN 0.519 nan 8.150 nan 0.000 0.445 239 I N -0.510 120.080 120.570 0.033 0.000 2.252 239 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 239 I C 2.925 179.030 176.117 -0.021 0.000 1.102 239 I CA 1.005 62.307 61.300 0.003 0.000 1.385 239 I CB -0.261 37.750 38.000 0.018 0.000 1.064 239 I HN 0.354 nan 8.210 nan 0.000 0.414 240 A N 1.694 124.502 122.820 -0.019 0.000 1.872 240 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 240 A C 2.429 179.969 177.584 -0.074 0.000 1.187 240 A CA 1.583 53.603 52.037 -0.028 0.000 0.614 240 A CB -0.636 18.362 19.000 -0.003 0.000 0.826 240 A HN 0.457 nan 8.150 nan 0.000 0.442 241 R N -0.129 120.299 120.500 -0.120 0.000 2.091 241 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 241 R C 2.178 178.402 176.300 -0.128 0.000 1.136 241 R CA 1.648 57.653 56.100 -0.158 0.000 0.959 241 R CB -0.878 29.247 30.300 -0.291 0.000 0.856 241 R HN 0.313 nan 8.270 nan 0.000 0.437 242 A N 1.705 124.461 122.820 -0.107 0.000 1.865 242 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 242 A C 2.535 180.070 177.584 -0.082 0.000 1.191 242 A CA 2.046 54.042 52.037 -0.067 0.000 0.623 242 A CB -0.745 18.235 19.000 -0.032 0.000 0.826 242 A HN 0.197 nan 8.150 nan 0.000 0.444 243 V N -0.022 119.832 119.914 -0.101 0.000 2.343 243 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 243 V C 2.558 178.466 176.094 -0.309 0.000 1.051 243 V CA 2.172 64.373 62.300 -0.166 0.000 1.036 243 V CB -0.940 30.800 31.823 -0.139 0.000 0.654 243 V HN 0.497 nan 8.190 nan 0.000 0.451 244 R N -0.790 119.550 120.500 -0.266 0.000 2.159 244 R HA -0.150 4.189 4.340 -0.000 0.000 0.237 244 R C 2.033 178.234 176.300 -0.166 0.000 1.131 244 R CA 1.697 57.648 56.100 -0.249 0.000 0.982 244 R CB -0.534 29.692 30.300 -0.124 0.000 0.868 244 R HN 0.466 nan 8.270 nan 0.000 0.453 245 C N -0.764 118.460 119.300 -0.126 0.000 2.626 245 C HA 0.255 4.715 4.460 -0.000 0.000 0.266 245 C C 1.479 176.428 174.990 -0.067 0.000 1.317 245 C CA 0.507 59.476 59.018 -0.081 0.000 1.716 245 C CB -0.253 27.448 27.740 -0.064 0.000 1.819 245 C HN 0.809 nan 8.230 nan 0.000 0.578 246 G N -0.035 108.712 108.800 -0.088 0.000 2.184 246 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.206 246 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.206 246 G C 0.108 175.001 174.900 -0.010 0.000 0.995 246 G CA 0.072 45.142 45.100 -0.050 0.000 0.651 246 G HN 0.286 nan 8.290 nan 0.000 0.511 247 V N 1.176 121.083 119.914 -0.012 0.000 2.599 247 V HA 0.238 4.358 4.120 -0.000 0.000 0.300 247 V C 1.792 177.918 176.094 0.053 0.000 1.034 247 V CA 1.379 63.701 62.300 0.036 0.000 1.115 247 V CB 1.324 33.164 31.823 0.027 0.000 0.934 247 V HN 0.525 nan 8.190 nan 0.000 0.485 248 R N 2.895 123.463 120.500 0.113 0.000 2.128 248 R HA 0.045 4.385 4.340 -0.000 0.000 0.211 248 R C 0.818 177.185 176.300 0.111 0.000 1.067 248 R CA 1.093 57.249 56.100 0.094 0.000 1.010 248 R CB 0.343 30.665 30.300 0.036 0.000 0.922 248 R HN 0.854 nan 8.270 nan 0.000 0.457 249 T N -1.352 113.270 114.554 0.113 0.000 2.893 249 T HA 0.508 4.858 4.350 -0.000 0.000 0.291 249 T C -0.336 174.408 174.700 0.075 0.000 1.028 249 T CA -0.962 61.200 62.100 0.103 0.000 0.995 249 T CB 1.762 70.657 68.868 0.045 0.000 1.051 249 T HN -0.072 nan 8.240 nan 0.000 0.470 250 I N 2.518 123.116 120.570 0.046 0.000 2.441 250 I HA 0.425 4.595 4.170 -0.000 0.000 0.295 250 I C -0.019 176.063 176.117 -0.057 0.000 0.994 250 I CA -0.778 60.519 61.300 -0.005 0.000 1.144 250 I CB 1.960 39.956 38.000 -0.007 0.000 1.314 250 I HN 0.755 nan 8.210 nan 0.000 0.445 251 E N 5.988 126.090 120.200 -0.163 0.000 2.191 251 E HA 0.378 4.728 4.350 -0.000 0.000 0.278 251 E C -0.028 176.241 176.600 -0.552 0.000 0.972 251 E CA -0.429 55.745 56.400 -0.377 0.000 0.804 251 E CB 1.666 31.113 29.700 -0.420 0.000 1.110 251 E HN 0.580 nan 8.360 nan 0.000 0.394 252 H N 2.015 121.019 119.070 -0.110 0.000 4.588 252 H HA -0.244 4.312 4.556 -0.000 0.000 0.077 252 H C 1.193 176.516 175.328 -0.008 0.000 0.621 252 H CA 1.326 57.341 56.048 -0.055 0.000 0.984 252 H CB -1.545 28.083 29.762 -0.222 0.000 0.679 252 H HN 0.854 nan 8.280 nan 0.000 0.825 253 G N 1.698 110.555 108.800 0.095 0.000 2.166 253 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.260 253 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.260 253 G C 0.909 175.882 174.900 0.121 0.000 0.986 253 G CA 1.413 46.560 45.100 0.079 0.000 0.683 253 G HN 0.641 nan 8.290 nan 0.000 0.527 254 N N -0.103 118.713 118.700 0.194 0.000 2.133 254 N HA -0.110 4.630 4.740 -0.000 0.000 0.193 254 N C 1.707 177.225 175.510 0.014 0.000 1.012 254 N CA 1.643 54.733 53.050 0.066 0.000 0.871 254 N CB -0.199 38.242 38.487 -0.077 0.000 1.011 254 N HN 0.575 nan 8.380 nan 0.000 0.435 255 L N 0.408 121.657 121.223 0.043 0.000 2.928 255 L HA 0.335 4.675 4.340 -0.000 0.000 0.246 255 L C 0.125 177.003 176.870 0.013 0.000 1.239 255 L CA -0.391 54.447 54.840 -0.003 0.000 1.035 255 L CB 0.068 42.119 42.059 -0.014 0.000 1.360 255 L HN 0.188 nan 8.230 nan 0.000 0.529 256 I N 1.395 121.980 120.570 0.025 0.000 2.556 256 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 256 I C 0.194 176.311 176.117 0.001 0.000 1.114 256 I CA -0.359 60.955 61.300 0.023 0.000 1.418 256 I CB 0.761 38.781 38.000 0.033 0.000 1.394 256 I HN 0.246 nan 8.210 nan 0.000 0.552 257 D N 4.993 125.394 120.400 0.000 0.000 2.466 257 D HA 0.094 4.734 4.640 -0.000 0.000 0.262 257 D C 0.400 176.703 176.300 0.004 0.000 1.177 257 D CA -0.371 53.622 54.000 -0.012 0.000 1.035 257 D CB 0.548 41.341 40.800 -0.012 0.000 1.105 257 D HN 0.413 nan 8.370 nan 0.000 0.551 258 D N -1.022 119.380 120.400 0.003 0.000 2.183 258 D HA -0.144 4.496 4.640 -0.000 0.000 0.203 258 D C 1.487 177.794 176.300 0.013 0.000 0.969 258 D CA 0.792 54.800 54.000 0.014 0.000 0.842 258 D CB 0.111 40.921 40.800 0.017 0.000 0.957 258 D HN 0.699 nan 8.370 nan 0.000 0.484 259 E N 0.244 120.451 120.200 0.010 0.000 2.001 259 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 259 E C 1.926 178.536 176.600 0.017 0.000 1.002 259 E CA 2.274 58.681 56.400 0.012 0.000 0.819 259 E CB -0.114 29.593 29.700 0.012 0.000 0.769 259 E HN 0.237 nan 8.360 nan 0.000 0.454 260 T N -1.255 113.312 114.554 0.021 0.000 2.897 260 T HA -0.059 4.291 4.350 -0.000 0.000 0.271 260 T C 1.893 176.610 174.700 0.028 0.000 1.084 260 T CA 1.263 63.380 62.100 0.028 0.000 1.123 260 T CB -0.411 68.475 68.868 0.029 0.000 0.865 260 T HN 0.296 nan 8.240 nan 0.000 0.496 261 A N 2.036 124.869 122.820 0.022 0.000 1.972 261 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 261 A C 2.604 180.195 177.584 0.012 0.000 1.169 261 A CA 1.256 53.304 52.037 0.019 0.000 0.635 261 A CB -0.538 18.475 19.000 0.021 0.000 0.810 261 A HN 0.611 nan 8.150 nan 0.000 0.446 262 R N -1.248 119.257 120.500 0.009 0.000 2.075 262 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 262 R C 2.110 178.408 176.300 -0.004 0.000 1.114 262 R CA 1.095 57.192 56.100 -0.004 0.000 0.972 262 R CB -0.633 29.662 30.300 -0.008 0.000 0.869 262 R HN 0.457 nan 8.270 nan 0.000 0.437 263 L N 1.180 122.417 121.223 0.022 0.000 1.997 263 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 263 L C 2.161 179.100 176.870 0.115 0.000 1.074 263 L CA 1.717 56.600 54.840 0.072 0.000 0.763 263 L CB -0.479 41.642 42.059 0.103 0.000 0.890 263 L HN -0.075 nan 8.230 nan 0.000 0.434 264 V N 0.024 119.982 119.914 0.073 0.000 2.231 264 V HA -0.378 3.742 4.120 -0.000 0.000 0.248 264 V C 2.775 178.878 176.094 0.015 0.000 1.054 264 V CA 2.050 64.382 62.300 0.053 0.000 1.015 264 V CB -1.411 30.425 31.823 0.022 0.000 0.638 264 V HN 0.666 nan 8.190 nan 0.000 0.444 265 A N -0.506 122.303 122.820 -0.018 0.000 1.933 265 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 265 A C 2.293 179.834 177.584 -0.071 0.000 1.175 265 A CA 2.090 54.093 52.037 -0.056 0.000 0.628 265 A CB -0.536 18.436 19.000 -0.046 0.000 0.814 265 A HN 0.719 nan 8.150 nan 0.000 0.444 266 E N -0.987 119.168 120.200 -0.074 0.000 2.047 266 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 266 E C 1.612 178.117 176.600 -0.158 0.000 0.987 266 E CA 1.099 57.418 56.400 -0.136 0.000 0.799 266 E CB -0.348 29.232 29.700 -0.199 0.000 0.752 266 E HN 0.720 nan 8.360 nan 0.000 0.449 267 H N -0.679 118.359 119.070 -0.053 0.000 2.563 267 H HA 0.039 4.594 4.556 -0.000 0.000 0.272 267 H C 1.246 176.529 175.328 -0.076 0.000 1.005 267 H CA 1.100 57.118 56.048 -0.050 0.000 1.171 267 H CB 0.442 30.183 29.762 -0.037 0.000 1.351 267 H HN 0.520 nan 8.280 nan 0.000 0.602 268 G N 0.283 109.066 108.800 -0.028 0.000 2.148 268 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 268 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 268 G C 0.568 175.311 174.900 -0.261 0.000 0.981 268 G CA 0.416 45.430 45.100 -0.144 0.000 0.670 268 G HN 0.715 nan 8.290 nan 0.000 0.528 269 A N -0.834 121.898 122.820 -0.146 0.000 2.313 269 A HA 0.778 5.098 4.320 -0.000 0.000 0.261 269 A C 0.001 177.444 177.584 -0.234 0.000 1.090 269 A CA -0.174 51.798 52.037 -0.108 0.000 0.807 269 A CB 0.540 19.546 19.000 0.009 0.000 1.055 269 A HN 0.703 nan 8.150 nan 0.000 0.492 270 Y N -0.926 119.350 120.300 -0.039 0.000 2.567 270 Y HA 0.564 5.114 4.550 -0.000 0.000 0.333 270 Y C 0.125 176.011 175.900 -0.024 0.000 1.106 270 Y CA -0.959 57.120 58.100 -0.034 0.000 1.157 270 Y CB 1.842 40.267 38.460 -0.059 0.000 1.277 270 Y HN 0.360 nan 8.280 nan 0.000 0.490 271 V N 1.965 121.970 119.914 0.152 0.000 2.604 271 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 271 V C -0.942 175.193 176.094 0.067 0.000 1.043 271 V CA -0.963 61.386 62.300 0.081 0.000 0.888 271 V CB 1.876 33.731 31.823 0.052 0.000 0.995 271 V HN 0.507 nan 8.190 nan 0.000 0.429 272 V N 6.145 126.071 119.914 0.019 0.000 2.284 272 V HA 0.368 4.487 4.120 -0.000 0.000 0.274 272 V C -2.469 173.602 176.094 -0.039 0.000 1.023 272 V CA -1.785 60.507 62.300 -0.014 0.000 0.808 272 V CB 1.290 33.096 31.823 -0.029 0.000 1.035 272 V HN 0.725 nan 8.190 nan 0.000 0.445 273 P HA 0.359 nan 4.420 nan 0.000 0.277 273 P C 0.228 177.524 177.300 -0.007 0.000 1.240 273 P CA -0.150 62.978 63.100 0.046 0.000 0.798 273 P CB 0.772 32.510 31.700 0.063 0.000 0.979 274 T N -1.768 112.849 114.554 0.106 0.000 3.741 274 T HA 0.275 4.625 4.350 -0.000 0.000 0.242 274 T C 1.106 175.853 174.700 0.078 0.000 1.042 274 T CA -0.434 61.655 62.100 -0.019 0.000 1.278 274 T CB -1.177 67.633 68.868 -0.097 0.000 0.994 274 T HN 0.049 nan 8.240 nan 0.000 0.594 275 L N 0.182 121.492 121.223 0.145 0.000 2.034 275 L HA -0.161 4.179 4.340 -0.000 0.000 0.217 275 L C 2.763 179.731 176.870 0.163 0.000 1.077 275 L CA 1.475 56.465 54.840 0.249 0.000 0.769 275 L CB -0.982 41.167 42.059 0.150 0.000 0.890 275 L HN 0.418 nan 8.230 nan 0.000 0.435 276 V N -0.586 119.333 119.914 0.008 0.000 2.324 276 V HA -0.375 3.745 4.120 -0.000 0.000 0.250 276 V C 2.620 178.654 176.094 -0.100 0.000 1.060 276 V CA 2.736 65.021 62.300 -0.025 0.000 1.042 276 V CB -0.268 31.520 31.823 -0.059 0.000 0.650 276 V HN 0.600 nan 8.190 nan 0.000 0.450 277 T N -1.315 113.088 114.554 -0.251 0.000 2.849 277 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 277 T C 1.523 175.969 174.700 -0.423 0.000 1.066 277 T CA 2.123 64.004 62.100 -0.365 0.000 1.130 277 T CB -0.320 68.242 68.868 -0.511 0.000 0.864 277 T HN 0.744 nan 8.240 nan 0.000 0.481 278 Y N 1.142 121.336 120.300 -0.177 0.000 2.337 278 Y HA 0.068 4.618 4.550 -0.000 0.000 0.293 278 Y C 2.462 177.983 175.900 -0.631 0.000 1.123 278 Y CA 0.522 58.383 58.100 -0.399 0.000 1.201 278 Y CB -0.495 37.706 38.460 -0.430 0.000 1.011 278 Y HN 0.182 nan 8.280 nan 0.000 0.545 279 D N 0.305 120.568 120.400 -0.229 0.000 2.103 279 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 279 D C 2.343 178.628 176.300 -0.025 0.000 0.997 279 D CA 1.788 55.757 54.000 -0.052 0.000 0.833 279 D CB -0.612 40.234 40.800 0.077 0.000 0.961 279 D HN 0.296 nan 8.370 nan 0.000 0.447 280 A N 0.357 123.172 122.820 -0.008 0.000 1.908 280 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 280 A C 2.461 180.087 177.584 0.070 0.000 1.181 280 A CA 1.089 53.163 52.037 0.063 0.000 0.627 280 A CB -0.839 18.217 19.000 0.094 0.000 0.818 280 A HN 0.227 nan 8.150 nan 0.000 0.445 281 L N -0.831 120.407 121.223 0.024 0.000 2.017 281 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 281 L C 3.107 179.961 176.870 -0.027 0.000 1.073 281 L CA 1.228 56.083 54.840 0.025 0.000 0.745 281 L CB -0.477 41.589 42.059 0.012 0.000 0.894 281 L HN 0.432 nan 8.230 nan 0.000 0.432 282 A N -0.677 122.124 122.820 -0.031 0.000 1.898 282 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 282 A C 2.475 180.071 177.584 0.020 0.000 1.181 282 A CA 2.030 54.080 52.037 0.021 0.000 0.620 282 A CB -0.606 18.462 19.000 0.114 0.000 0.819 282 A HN 0.425 nan 8.150 nan 0.000 0.442 283 S N 0.207 115.925 115.700 0.031 0.000 2.355 283 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 283 S C 1.543 176.144 174.600 0.001 0.000 1.031 283 S CA 1.406 59.625 58.200 0.032 0.000 0.993 283 S CB -0.229 63.007 63.200 0.059 0.000 0.859 283 S HN 0.898 nan 8.310 nan 0.000 0.453 284 E N 0.395 120.588 120.200 -0.010 0.000 2.676 284 E HA 0.293 4.643 4.350 -0.000 0.000 0.222 284 E C 1.553 178.017 176.600 -0.227 0.000 0.968 284 E CA 0.285 56.663 56.400 -0.037 0.000 1.090 284 E CB -0.126 29.680 29.700 0.177 0.000 1.066 284 E HN 0.356 nan 8.360 nan 0.000 0.496 285 G N 1.987 110.614 108.800 -0.288 0.000 2.421 285 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 285 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 285 G C 1.421 176.092 174.900 -0.383 0.000 1.171 285 G CA 0.847 45.647 45.100 -0.499 0.000 0.775 285 G HN 0.296 nan 8.290 nan 0.000 0.543 286 E N 0.242 120.307 120.200 -0.226 0.000 2.106 286 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 286 E C 2.360 178.830 176.600 -0.217 0.000 0.984 286 E CA 1.017 57.314 56.400 -0.173 0.000 0.806 286 E CB -0.122 29.507 29.700 -0.118 0.000 0.750 286 E HN 0.459 nan 8.360 nan 0.000 0.458 287 K N -0.098 120.124 120.400 -0.296 0.000 2.059 287 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 287 K C 0.353 176.636 176.600 -0.529 0.000 1.050 287 K CA 1.481 57.497 56.287 -0.451 0.000 0.927 287 K CB -0.164 31.951 32.500 -0.641 0.000 0.714 287 K HN 0.116 nan 8.250 nan 0.000 0.447 288 Y N 0.494 120.666 120.300 -0.213 0.000 2.845 288 Y HA 0.282 4.832 4.550 -0.000 0.000 0.385 288 Y C 0.861 176.720 175.900 -0.068 0.000 1.133 288 Y CA -0.188 57.847 58.100 -0.108 0.000 1.660 288 Y CB 0.489 38.938 38.460 -0.018 0.000 1.683 288 Y HN 0.329 nan 8.280 nan 0.000 0.503 289 G N 0.911 109.718 108.800 0.011 0.000 2.269 289 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.277 289 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.277 289 G C 0.088 175.013 174.900 0.042 0.000 1.008 289 G CA 0.152 45.271 45.100 0.031 0.000 0.774 289 G HN 0.485 nan 8.290 nan 0.000 0.511 290 L N 1.534 122.747 121.223 -0.016 0.000 2.530 290 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 290 L C -1.421 175.449 176.870 0.001 0.000 1.141 290 L CA -1.636 53.209 54.840 0.008 0.000 0.905 290 L CB 0.101 42.086 42.059 -0.122 0.000 1.202 290 L HN -0.075 nan 8.230 nan 0.000 0.473 291 P HA -0.082 nan 4.420 nan 0.000 0.263 291 P C -2.058 175.244 177.300 0.004 0.000 1.162 291 P CA -0.618 62.491 63.100 0.016 0.000 0.758 291 P CB -0.055 31.660 31.700 0.024 0.000 0.773 292 P HA -0.192 nan 4.420 nan 0.000 0.220 292 P C 1.190 178.489 177.300 -0.002 0.000 1.148 292 P CA 1.473 64.568 63.100 -0.008 0.000 0.803 292 P CB -0.018 31.676 31.700 -0.010 0.000 0.782 293 E N 0.055 120.257 120.200 0.004 0.000 2.107 293 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 293 E C 1.835 178.445 176.600 0.016 0.000 0.982 293 E CA 1.100 57.505 56.400 0.007 0.000 0.809 293 E CB -0.971 28.734 29.700 0.008 0.000 0.756 293 E HN 0.096 nan 8.360 nan 0.000 0.459 294 S N 1.161 116.876 115.700 0.025 0.000 2.383 294 S HA -0.031 4.438 4.470 -0.000 0.000 0.227 294 S C 2.054 176.672 174.600 0.029 0.000 1.026 294 S CA 1.005 59.230 58.200 0.041 0.000 0.981 294 S CB -0.279 62.956 63.200 0.058 0.000 0.818 294 S HN 0.278 nan 8.310 nan 0.000 0.472 295 I N 1.758 122.336 120.570 0.012 0.000 2.208 295 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 295 I C 2.670 178.789 176.117 0.003 0.000 1.097 295 I CA 1.145 62.446 61.300 0.002 0.000 1.363 295 I CB -0.560 37.433 38.000 -0.012 0.000 1.051 295 I HN 0.252 nan 8.210 nan 0.000 0.413 296 A N 1.249 124.069 122.820 0.001 0.000 1.972 296 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 296 A C 2.174 179.754 177.584 -0.006 0.000 1.169 296 A CA 1.501 53.535 52.037 -0.004 0.000 0.635 296 A CB -0.400 18.597 19.000 -0.005 0.000 0.810 296 A HN 0.448 nan 8.150 nan 0.000 0.446 297 K N -0.662 119.738 120.400 0.000 0.000 2.444 297 K HA 0.278 4.598 4.320 -0.000 0.000 0.193 297 K C 1.263 177.851 176.600 -0.020 0.000 1.024 297 K CA 0.278 56.558 56.287 -0.011 0.000 1.077 297 K CB 0.019 32.521 32.500 0.004 0.000 0.833 297 K HN 0.494 nan 8.250 nan 0.000 0.517 298 I N 1.507 122.082 120.570 0.007 0.000 2.286 298 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 298 I C 2.437 178.565 176.117 0.018 0.000 1.104 298 I CA 0.918 62.234 61.300 0.028 0.000 1.397 298 I CB -0.297 37.734 38.000 0.052 0.000 1.072 298 I HN 0.107 nan 8.210 nan 0.000 0.417 299 A N 0.720 123.552 122.820 0.019 0.000 2.125 299 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 299 A C 1.660 179.215 177.584 -0.048 0.000 1.156 299 A CA 1.930 53.975 52.037 0.013 0.000 0.671 299 A CB -0.685 18.315 19.000 0.000 0.000 0.794 299 A HN 0.405 nan 8.150 nan 0.000 0.459 300 D N -0.343 120.007 120.400 -0.084 0.000 2.144 300 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 300 D C 1.623 177.800 176.300 -0.206 0.000 0.984 300 D CA 1.923 55.843 54.000 -0.134 0.000 0.834 300 D CB -0.192 40.524 40.800 -0.140 0.000 0.955 300 D HN 0.593 nan 8.370 nan 0.000 0.465 301 V N -3.582 116.159 119.914 -0.289 0.000 3.398 301 V HA 0.206 4.326 4.120 -0.000 0.000 0.298 301 V C 1.702 177.583 176.094 -0.356 0.000 1.496 301 V CA -0.204 61.858 62.300 -0.397 0.000 1.044 301 V CB -0.425 30.966 31.823 -0.719 0.000 0.880 301 V HN 0.202 nan 8.190 nan 0.000 0.443 302 H N 1.939 120.802 119.070 -0.344 0.000 2.353 302 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 302 H C 2.152 177.386 175.328 -0.157 0.000 1.090 302 H CA 1.688 57.583 56.048 -0.255 0.000 1.327 302 H CB -0.017 29.701 29.762 -0.074 0.000 1.383 302 H HN 0.523 nan 8.280 nan 0.000 0.508 303 G N -0.009 108.689 108.800 -0.170 0.000 2.408 303 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 303 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 303 G C 1.833 176.677 174.900 -0.092 0.000 1.150 303 G CA 0.566 45.554 45.100 -0.186 0.000 0.776 303 G HN 0.533 nan 8.290 nan 0.000 0.542 304 A N 0.842 123.605 122.820 -0.095 0.000 2.070 304 A HA 0.194 4.514 4.320 -0.000 0.000 0.220 304 A C 2.602 180.174 177.584 -0.021 0.000 1.159 304 A CA 1.857 53.855 52.037 -0.066 0.000 0.656 304 A CB -0.788 18.148 19.000 -0.107 0.000 0.800 304 A HN 0.470 nan 8.150 nan 0.000 0.453 305 G N -0.156 108.616 108.800 -0.046 0.000 2.418 305 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 305 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 305 G C 1.393 176.326 174.900 0.055 0.000 1.158 305 G CA 1.147 46.241 45.100 -0.010 0.000 0.771 305 G HN 0.406 nan 8.290 nan 0.000 0.545 306 L N 0.087 121.346 121.223 0.060 0.000 2.131 306 L HA 0.027 4.366 4.340 -0.000 0.000 0.210 306 L C 2.373 179.288 176.870 0.075 0.000 1.092 306 L CA 2.053 56.931 54.840 0.064 0.000 0.759 306 L CB -0.898 41.187 42.059 0.042 0.000 0.903 306 L HN 0.500 nan 8.230 nan 0.000 0.435 307 H N -1.471 117.597 119.070 -0.003 0.000 2.333 307 H HA -0.134 4.422 4.556 -0.000 0.000 0.302 307 H C 2.448 177.779 175.328 0.006 0.000 1.075 307 H CA 1.416 57.463 56.048 -0.002 0.000 1.348 307 H CB 0.216 29.969 29.762 -0.014 0.000 1.393 307 H HN 0.491 nan 8.280 nan 0.000 0.509 308 S N 0.702 116.523 115.700 0.202 0.000 2.407 308 S HA -0.200 4.270 4.470 -0.000 0.000 0.235 308 S C 2.085 176.750 174.600 0.109 0.000 1.036 308 S CA 1.501 59.777 58.200 0.126 0.000 1.013 308 S CB -0.593 62.649 63.200 0.070 0.000 0.820 308 S HN 0.408 nan 8.310 nan 0.000 0.476 309 I N 2.132 122.757 120.570 0.093 0.000 2.163 309 I HA -0.164 4.006 4.170 -0.000 0.000 0.243 309 I C 2.769 178.921 176.117 0.059 0.000 1.085 309 I CA 1.730 63.073 61.300 0.071 0.000 1.347 309 I CB -1.542 36.497 38.000 0.065 0.000 1.044 309 I HN 0.450 nan 8.210 nan 0.000 0.408 310 E N 1.217 121.442 120.200 0.042 0.000 2.012 310 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 310 E C 2.287 178.920 176.600 0.054 0.000 1.007 310 E CA 1.518 57.927 56.400 0.015 0.000 0.816 310 E CB -0.216 29.439 29.700 -0.075 0.000 0.762 310 E HN 0.407 nan 8.360 nan 0.000 0.451 311 I N 0.556 121.196 120.570 0.117 0.000 2.229 311 I HA -0.379 3.791 4.170 -0.000 0.000 0.250 311 I C 2.469 178.624 176.117 0.063 0.000 1.096 311 I CA 1.324 62.690 61.300 0.111 0.000 1.358 311 I CB -0.427 37.651 38.000 0.131 0.000 1.047 311 I HN 0.238 nan 8.210 nan 0.000 0.422 312 M N -0.092 119.543 119.600 0.059 0.000 2.287 312 M HA -0.116 4.364 4.480 -0.000 0.000 0.266 312 M C 2.398 178.717 176.300 0.032 0.000 1.079 312 M CA 1.145 56.470 55.300 0.042 0.000 1.146 312 M CB -0.369 32.259 32.600 0.047 0.000 1.374 312 M HN 0.121 nan 8.290 nan 0.000 0.435 313 K N 1.181 121.602 120.400 0.035 0.000 2.044 313 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 313 K C 2.183 178.793 176.600 0.017 0.000 1.049 313 K CA 1.726 58.028 56.287 0.026 0.000 0.927 313 K CB -0.198 32.317 32.500 0.025 0.000 0.713 313 K HN 0.171 nan 8.250 nan 0.000 0.443 314 R N 0.058 120.569 120.500 0.020 0.000 2.096 314 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 314 R C 1.887 178.193 176.300 0.010 0.000 1.127 314 R CA 1.397 57.505 56.100 0.015 0.000 0.968 314 R CB -0.274 30.038 30.300 0.021 0.000 0.861 314 R HN 0.304 nan 8.270 nan 0.000 0.440 315 A N -0.081 122.747 122.820 0.013 0.000 2.167 315 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 315 A C 1.285 178.866 177.584 -0.006 0.000 1.151 315 A CA 0.780 52.819 52.037 0.004 0.000 0.735 315 A CB -0.209 18.796 19.000 0.008 0.000 0.802 315 A HN 0.599 nan 8.150 nan 0.000 0.467 316 G N -0.842 107.956 108.800 -0.003 0.000 2.212 316 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.255 316 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.255 316 G C 0.052 174.938 174.900 -0.024 0.000 1.062 316 G CA 0.109 45.201 45.100 -0.012 0.000 0.815 316 G HN 0.727 nan 8.290 nan 0.000 0.497 317 V N 0.144 120.050 119.914 -0.014 0.000 2.572 317 V HA 0.200 4.320 4.120 -0.000 0.000 0.291 317 V C 1.142 177.224 176.094 -0.020 0.000 1.039 317 V CA 0.075 62.360 62.300 -0.025 0.000 1.055 317 V CB 1.180 33.002 31.823 -0.001 0.000 0.969 317 V HN 0.407 nan 8.190 nan 0.000 0.482 318 K N 6.087 126.447 120.400 -0.067 0.000 2.351 318 K HA 0.254 4.574 4.320 -0.000 0.000 0.287 318 K C -0.214 176.444 176.600 0.096 0.000 1.068 318 K CA 0.465 56.742 56.287 -0.018 0.000 0.998 318 K CB 0.083 32.480 32.500 -0.171 0.000 0.968 318 K HN 0.566 nan 8.250 nan 0.000 0.464 319 M N 1.935 121.600 119.600 0.108 0.000 2.264 319 M HA 0.294 4.774 4.480 -0.000 0.000 0.352 319 M C 0.599 176.987 176.300 0.147 0.000 1.173 319 M CA -0.479 54.894 55.300 0.122 0.000 1.075 319 M CB 1.761 34.419 32.600 0.097 0.000 1.621 319 M HN 0.696 nan 8.290 nan 0.000 0.457 320 G N 1.527 110.407 108.800 0.134 0.000 2.537 320 G HA2 0.635 4.595 3.960 -0.000 0.000 0.323 320 G HA3 0.635 4.595 3.960 -0.000 0.000 0.323 320 G C -1.861 173.128 174.900 0.148 0.000 1.207 320 G CA -0.481 44.693 45.100 0.123 0.000 0.976 320 G HN 0.572 nan 8.290 nan 0.000 0.487 321 F N 0.909 120.862 119.950 0.005 0.000 2.411 321 F HA 0.650 5.177 4.527 -0.000 0.000 0.355 321 F C 0.468 176.239 175.800 -0.049 0.000 1.117 321 F CA -0.319 57.669 58.000 -0.019 0.000 1.139 321 F CB 1.268 40.268 39.000 0.000 0.000 1.120 321 F HN 0.579 nan 8.300 nan 0.000 0.493 322 G N 2.718 111.104 108.800 -0.691 0.000 2.706 322 G HA2 0.458 4.418 3.960 -0.000 0.000 0.297 322 G HA3 0.458 4.418 3.960 -0.000 0.000 0.297 322 G C -0.381 174.127 174.900 -0.654 0.000 1.403 322 G CA -0.121 44.663 45.100 -0.528 0.000 0.954 322 G HN 0.706 nan 8.290 nan 0.000 0.500 323 T N -2.227 112.040 114.554 -0.477 0.000 3.174 323 T HA 0.243 4.592 4.350 -0.000 0.000 0.252 323 T C 0.639 175.180 174.700 -0.264 0.000 0.984 323 T CA 1.107 62.968 62.100 -0.399 0.000 1.113 323 T CB -0.041 68.594 68.868 -0.389 0.000 1.088 323 T HN 0.905 nan 8.240 nan 0.000 0.442 324 D N 0.908 121.202 120.400 -0.176 0.000 2.760 324 D HA -0.115 4.525 4.640 -0.000 0.000 0.244 324 D C -0.754 175.500 176.300 -0.078 0.000 1.123 324 D CA 0.193 54.168 54.000 -0.041 0.000 0.719 324 D CB -1.869 38.845 40.800 -0.143 0.000 1.045 324 D HN 0.612 nan 8.370 nan 0.000 0.426 325 L N 0.175 121.332 121.223 -0.110 0.000 2.375 325 L HA 0.650 4.990 4.340 -0.000 0.000 0.268 325 L C 0.664 177.427 176.870 -0.179 0.000 1.058 325 L CA -1.004 53.746 54.840 -0.150 0.000 0.803 325 L CB 1.164 43.130 42.059 -0.154 0.000 1.212 325 L HN 0.087 nan 8.230 nan 0.000 0.451 326 L N 0.427 121.452 121.223 -0.331 0.000 2.341 326 L HA 0.726 5.066 4.340 -0.000 0.000 0.267 326 L C 0.825 177.208 176.870 -0.812 0.000 1.009 326 L CA -0.634 53.904 54.840 -0.503 0.000 0.819 326 L CB 1.499 43.233 42.059 -0.542 0.000 1.323 326 L HN 0.826 nan 8.230 nan 0.000 0.425 327 G N 1.571 109.996 108.800 -0.626 0.000 2.634 327 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.309 327 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.309 327 G C 0.746 175.410 174.900 -0.393 0.000 1.265 327 G CA 0.580 45.351 45.100 -0.549 0.000 0.998 327 G HN 0.851 nan 8.290 nan 0.000 0.551 328 E N 1.134 121.126 120.200 -0.347 0.000 2.347 328 E HA 0.125 4.474 4.350 -0.000 0.000 0.196 328 E C 2.615 179.127 176.600 -0.146 0.000 1.008 328 E CA 1.635 57.891 56.400 -0.240 0.000 0.852 328 E CB -0.773 28.702 29.700 -0.375 0.000 0.783 328 E HN 1.132 nan 8.360 nan 0.000 0.505 329 A N 2.049 124.784 122.820 -0.141 0.000 2.019 329 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 329 A C 2.160 179.695 177.584 -0.081 0.000 1.164 329 A CA 1.168 53.181 52.037 -0.040 0.000 0.644 329 A CB -0.520 18.485 19.000 0.007 0.000 0.805 329 A HN 0.222 nan 8.150 nan 0.000 0.449 330 Q N -0.366 119.349 119.800 -0.141 0.000 2.376 330 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 330 Q C 2.009 177.975 176.000 -0.056 0.000 0.986 330 Q CA 1.418 57.152 55.803 -0.115 0.000 0.886 330 Q CB -0.417 28.239 28.738 -0.136 0.000 0.927 330 Q HN 0.897 nan 8.270 nan 0.000 0.457 331 R N 0.987 121.467 120.500 -0.033 0.000 2.285 331 R HA -0.068 4.272 4.340 -0.000 0.000 0.213 331 R C 1.339 177.663 176.300 0.041 0.000 1.068 331 R CA 0.740 56.845 56.100 0.009 0.000 1.004 331 R CB -0.143 30.163 30.300 0.011 0.000 0.873 331 R HN 0.257 nan 8.270 nan 0.000 0.467 332 L N 0.934 122.175 121.223 0.029 0.000 2.611 332 L HA 0.116 4.456 4.340 -0.000 0.000 0.229 332 L C 2.305 179.214 176.870 0.066 0.000 1.137 332 L CA 0.027 54.900 54.840 0.055 0.000 0.901 332 L CB -0.238 41.846 42.059 0.041 0.000 1.098 332 L HN 0.289 nan 8.230 nan 0.000 0.456 333 Q N 0.463 120.295 119.800 0.054 0.000 2.197 333 Q HA -0.257 4.083 4.340 -0.000 0.000 0.211 333 Q C 2.034 178.156 176.000 0.204 0.000 0.993 333 Q CA 2.106 57.935 55.803 0.044 0.000 0.883 333 Q CB 0.096 28.835 28.738 0.001 0.000 0.916 333 Q HN 0.443 nan 8.270 nan 0.000 0.418 334 S N 0.408 116.290 115.700 0.304 0.000 2.461 334 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 334 S C 0.951 175.777 174.600 0.376 0.000 1.005 334 S CA 0.787 59.254 58.200 0.445 0.000 0.942 334 S CB -0.037 63.399 63.200 0.394 0.000 0.776 334 S HN 0.424 nan 8.310 nan 0.000 0.514 335 D N 1.442 121.982 120.400 0.233 0.000 2.311 335 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 335 D C 1.807 178.219 176.300 0.187 0.000 0.972 335 D CA 0.659 54.775 54.000 0.193 0.000 0.887 335 D CB -0.195 40.683 40.800 0.130 0.000 0.915 335 D HN 0.326 nan 8.370 nan 0.000 0.497 336 E N -0.328 119.965 120.200 0.154 0.000 2.118 336 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 336 E C 1.549 178.295 176.600 0.244 0.000 0.992 336 E CA 0.882 57.352 56.400 0.117 0.000 0.804 336 E CB -0.304 29.349 29.700 -0.078 0.000 0.741 336 E HN 0.251 nan 8.360 nan 0.000 0.458 337 F N 0.359 120.532 119.950 0.372 0.000 2.102 337 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 337 F C 2.566 178.449 175.800 0.139 0.000 1.105 337 F CA 1.490 59.604 58.000 0.190 0.000 1.239 337 F CB -0.582 38.455 39.000 0.063 0.000 0.991 337 F HN 0.039 nan 8.300 nan 0.000 0.474 338 R N 0.791 121.481 120.500 0.317 0.000 2.115 338 R HA -0.114 4.225 4.340 -0.000 0.000 0.230 338 R C 2.026 178.423 176.300 0.161 0.000 1.111 338 R CA 1.428 57.648 56.100 0.202 0.000 0.976 338 R CB -0.349 30.052 30.300 0.169 0.000 0.870 338 R HN 0.313 nan 8.270 nan 0.000 0.445 339 I N 0.453 121.121 120.570 0.164 0.000 2.500 339 I HA -0.196 3.974 4.170 -0.000 0.000 0.252 339 I C 1.952 178.148 176.117 0.131 0.000 1.142 339 I CA 0.710 62.090 61.300 0.132 0.000 1.451 339 I CB -0.120 37.955 38.000 0.123 0.000 1.093 339 I HN 0.173 nan 8.210 nan 0.000 0.430 340 L N 0.847 122.170 121.223 0.167 0.000 2.291 340 L HA -0.062 4.277 4.340 -0.000 0.000 0.214 340 L C 2.765 179.718 176.870 0.138 0.000 1.120 340 L CA 0.785 55.723 54.840 0.163 0.000 0.799 340 L CB -0.532 41.663 42.059 0.228 0.000 0.925 340 L HN 0.216 nan 8.230 nan 0.000 0.446 341 A N -0.176 122.730 122.820 0.143 0.000 2.014 341 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 341 A C 2.111 179.740 177.584 0.076 0.000 1.163 341 A CA 0.935 53.036 52.037 0.107 0.000 0.652 341 A CB -0.237 18.827 19.000 0.108 0.000 0.808 341 A HN 0.409 nan 8.150 nan 0.000 0.449 342 E N -0.558 119.688 120.200 0.076 0.000 2.118 342 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 342 E C 1.150 177.774 176.600 0.039 0.000 0.992 342 E CA 1.475 57.907 56.400 0.054 0.000 0.804 342 E CB -0.064 29.669 29.700 0.055 0.000 0.741 342 E HN 0.412 nan 8.360 nan 0.000 0.458 343 V N 0.580 120.521 119.914 0.045 0.000 3.528 343 V HA 0.177 4.297 4.120 -0.000 0.000 0.294 343 V C 0.238 176.353 176.094 0.034 0.000 1.404 343 V CA 0.216 62.534 62.300 0.029 0.000 1.065 343 V CB 0.311 32.148 31.823 0.024 0.000 0.904 343 V HN 0.054 nan 8.190 nan 0.000 0.435 344 L N -0.455 120.798 121.223 0.049 0.000 2.415 344 L HA 0.551 4.891 4.340 -0.000 0.000 0.256 344 L C 0.139 177.037 176.870 0.047 0.000 1.010 344 L CA -0.584 54.286 54.840 0.049 0.000 0.826 344 L CB 2.356 44.456 42.059 0.067 0.000 1.405 344 L HN 0.113 nan 8.230 nan 0.000 0.410 345 S N 0.284 116.006 115.700 0.036 0.000 2.585 345 S HA 0.257 4.727 4.470 -0.000 0.000 0.273 345 S C -2.008 172.611 174.600 0.032 0.000 1.339 345 S CA -0.762 57.454 58.200 0.026 0.000 1.028 345 S CB 1.183 64.392 63.200 0.014 0.000 0.906 345 S HN 0.412 nan 8.310 nan 0.000 0.528 346 P HA -0.033 nan 4.420 nan 0.000 0.216 346 P C 1.564 178.864 177.300 -0.000 0.000 1.150 346 P CA 1.888 64.993 63.100 0.008 0.000 0.837 346 P CB -0.224 31.466 31.700 -0.016 0.000 0.786 347 A N -0.059 122.760 122.820 -0.002 0.000 1.902 347 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 347 A C 2.150 179.741 177.584 0.012 0.000 1.181 347 A CA 1.673 53.708 52.037 -0.004 0.000 0.623 347 A CB -1.177 17.820 19.000 -0.006 0.000 0.818 347 A HN 0.181 nan 8.150 nan 0.000 0.443 348 E N -0.410 119.805 120.200 0.024 0.000 2.051 348 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 348 E C 2.028 178.666 176.600 0.064 0.000 0.991 348 E CA 1.351 57.775 56.400 0.040 0.000 0.799 348 E CB -0.289 29.436 29.700 0.042 0.000 0.748 348 E HN 0.394 nan 8.360 nan 0.000 0.449 349 V N 1.207 121.169 119.914 0.080 0.000 2.295 349 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 349 V C 2.112 178.267 176.094 0.101 0.000 1.049 349 V CA 1.435 63.812 62.300 0.127 0.000 1.024 349 V CB -0.323 31.604 31.823 0.173 0.000 0.648 349 V HN 0.216 nan 8.190 nan 0.000 0.447 350 I N 0.613 121.205 120.570 0.037 0.000 2.916 350 I HA -0.093 4.077 4.170 -0.000 0.000 0.267 350 I C 2.228 178.347 176.117 0.003 0.000 1.263 350 I CA 1.295 62.586 61.300 -0.015 0.000 1.471 350 I CB -0.745 37.205 38.000 -0.082 0.000 1.089 350 I HN 0.212 nan 8.210 nan 0.000 0.468 351 A N -1.302 121.535 122.820 0.029 0.000 2.030 351 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 351 A C 2.436 180.059 177.584 0.066 0.000 1.164 351 A CA 0.967 53.025 52.037 0.036 0.000 0.697 351 A CB -0.518 18.503 19.000 0.034 0.000 0.827 351 A HN 0.271 nan 8.150 nan 0.000 0.457 352 S N -0.212 115.546 115.700 0.097 0.000 2.374 352 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 352 S C 1.727 176.427 174.600 0.168 0.000 1.037 352 S CA 1.463 59.754 58.200 0.152 0.000 1.024 352 S CB -0.205 63.128 63.200 0.223 0.000 0.861 352 S HN 0.780 nan 8.310 nan 0.000 0.456 353 A N 0.154 123.035 122.820 0.103 0.000 2.500 353 A HA 0.420 4.740 4.320 -0.000 0.000 0.267 353 A C 1.169 178.793 177.584 0.067 0.000 1.290 353 A CA 0.551 52.644 52.037 0.092 0.000 0.928 353 A CB -0.131 18.780 19.000 -0.149 0.000 1.066 353 A HN 0.584 nan 8.150 nan 0.000 0.516 354 T N -2.829 111.751 114.554 0.043 0.000 2.310 354 T HA 0.167 4.517 4.350 -0.000 0.000 0.157 354 T C 1.734 176.439 174.700 0.008 0.000 0.772 354 T CA 0.529 62.637 62.100 0.013 0.000 0.860 354 T CB -0.999 67.862 68.868 -0.012 0.000 2.770 354 T HN 0.460 nan 8.240 nan 0.000 0.373 355 I N 1.542 122.115 120.570 0.006 0.000 2.236 355 I HA -0.119 4.051 4.170 -0.000 0.000 0.249 355 I C 2.227 178.353 176.117 0.015 0.000 1.102 355 I CA 1.634 62.938 61.300 0.007 0.000 1.365 355 I CB -0.986 37.021 38.000 0.011 0.000 1.051 355 I HN 0.235 nan 8.210 nan 0.000 0.420 356 V N 0.902 120.837 119.914 0.035 0.000 2.453 356 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 356 V C 2.714 178.798 176.094 -0.016 0.000 1.048 356 V CA 2.077 64.411 62.300 0.057 0.000 1.049 356 V CB -0.565 31.320 31.823 0.102 0.000 0.672 356 V HN 0.470 nan 8.190 nan 0.000 0.457 357 S N 0.306 115.995 115.700 -0.018 0.000 2.368 357 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 357 S C 2.197 176.711 174.600 -0.144 0.000 1.029 357 S CA 1.321 59.476 58.200 -0.075 0.000 0.988 357 S CB -0.364 62.834 63.200 -0.003 0.000 0.838 357 S HN 0.633 nan 8.310 nan 0.000 0.462 358 A N 0.972 123.735 122.820 -0.095 0.000 2.015 358 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 358 A C 1.951 179.462 177.584 -0.120 0.000 1.163 358 A CA 1.353 53.327 52.037 -0.105 0.000 0.646 358 A CB -0.385 18.589 19.000 -0.044 0.000 0.806 358 A HN 0.579 nan 8.150 nan 0.000 0.448 359 E N -0.271 119.861 120.200 -0.113 0.000 2.112 359 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 359 E C 1.829 178.272 176.600 -0.261 0.000 0.979 359 E CA 1.032 57.372 56.400 -0.099 0.000 0.814 359 E CB -0.016 29.691 29.700 0.011 0.000 0.762 359 E HN 0.328 nan 8.360 nan 0.000 0.460 360 V N 1.550 121.182 119.914 -0.469 0.000 2.295 360 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 360 V C 2.287 178.107 176.094 -0.456 0.000 1.049 360 V CA 1.463 63.339 62.300 -0.708 0.000 1.024 360 V CB -0.388 31.035 31.823 -0.666 0.000 0.648 360 V HN 0.359 nan 8.190 nan 0.000 0.447 361 L N 0.634 121.651 121.223 -0.344 0.000 2.633 361 L HA 0.146 4.485 4.340 -0.000 0.000 0.235 361 L C 1.740 178.523 176.870 -0.145 0.000 1.163 361 L CA 0.796 55.434 54.840 -0.338 0.000 0.859 361 L CB -1.151 40.509 42.059 -0.665 0.000 0.973 361 L HN 0.577 nan 8.230 nan 0.000 0.451 362 G N 0.159 108.887 108.800 -0.119 0.000 2.225 362 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 362 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 362 G C 0.583 175.494 174.900 0.019 0.000 1.024 362 G CA 0.276 45.363 45.100 -0.022 0.000 0.784 362 G HN 0.272 nan 8.290 nan 0.000 0.507 363 M N 0.739 120.331 119.600 -0.013 0.000 2.673 363 M HA 0.131 4.611 4.480 -0.000 0.000 0.334 363 M C 1.033 177.356 176.300 0.037 0.000 1.211 363 M CA -0.027 55.300 55.300 0.045 0.000 0.962 363 M CB 0.160 32.788 32.600 0.046 0.000 1.343 363 M HN 0.565 nan 8.290 nan 0.000 0.511 364 Q N 0.691 120.503 119.800 0.020 0.000 2.263 364 Q HA -0.008 4.332 4.340 -0.000 0.000 0.289 364 Q C -0.454 175.565 176.000 0.032 0.000 1.061 364 Q CA 0.577 56.392 55.803 0.020 0.000 0.927 364 Q CB 0.347 29.096 28.738 0.019 0.000 1.154 364 Q HN 0.250 nan 8.270 nan 0.000 0.378 365 D N 1.735 122.152 120.400 0.027 0.000 3.059 365 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 365 D C -0.053 176.271 176.300 0.040 0.000 1.079 365 D CA 1.647 55.664 54.000 0.028 0.000 0.986 365 D CB -0.608 40.208 40.800 0.027 0.000 1.090 365 D HN 0.795 nan 8.370 nan 0.000 0.428 366 K N -0.787 119.648 120.400 0.059 0.000 2.529 366 K HA 0.346 4.666 4.320 -0.000 0.000 0.215 366 K C 0.493 177.177 176.600 0.140 0.000 1.286 366 K CA 0.158 56.499 56.287 0.090 0.000 0.997 366 K CB 1.775 34.355 32.500 0.134 0.000 1.063 366 K HN 0.040 nan 8.250 nan 0.000 0.590 367 L N -0.642 120.632 121.223 0.085 0.000 2.465 367 L HA 0.405 4.745 4.340 -0.000 0.000 0.257 367 L C 0.305 177.183 176.870 0.014 0.000 0.988 367 L CA -0.678 54.196 54.840 0.057 0.000 0.827 367 L CB 2.201 44.291 42.059 0.051 0.000 1.397 367 L HN 0.286 nan 8.230 nan 0.000 0.410 368 G N 1.333 110.132 108.800 -0.003 0.000 2.155 368 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 368 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 368 G C 0.099 174.985 174.900 -0.025 0.000 0.983 368 G CA 0.339 45.429 45.100 -0.017 0.000 0.676 368 G HN 0.564 nan 8.290 nan 0.000 0.528 369 R N -1.111 119.375 120.500 -0.024 0.000 2.535 369 R HA 0.455 4.795 4.340 -0.000 0.000 0.274 369 R C -0.619 175.657 176.300 -0.040 0.000 1.090 369 R CA -0.929 55.150 56.100 -0.035 0.000 0.930 369 R CB 1.252 31.538 30.300 -0.023 0.000 1.223 369 R HN 0.139 nan 8.270 nan 0.000 0.441 370 I N 4.724 125.254 120.570 -0.066 0.000 2.294 370 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 370 I C -0.163 175.920 176.117 -0.056 0.000 1.098 370 I CA -0.243 61.016 61.300 -0.067 0.000 1.277 370 I CB 0.745 38.682 38.000 -0.105 0.000 1.434 370 I HN 0.263 nan 8.210 nan 0.000 0.498 371 V N 4.108 124.009 119.914 -0.022 0.000 3.087 371 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 371 V C -2.890 173.217 176.094 0.021 0.000 1.187 371 V CA -2.697 59.597 62.300 -0.009 0.000 0.999 371 V CB 1.723 33.539 31.823 -0.011 0.000 1.049 371 V HN 0.265 nan 8.190 nan 0.000 0.431 372 P HA 0.350 nan 4.420 nan 0.000 0.260 372 P C 1.020 178.347 177.300 0.046 0.000 1.172 372 P CA 2.152 65.279 63.100 0.044 0.000 0.760 372 P CB 0.608 32.329 31.700 0.036 0.000 0.773 373 G N 2.266 111.109 108.800 0.072 0.000 2.611 373 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.208 373 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.208 373 G C 0.538 175.520 174.900 0.137 0.000 1.201 373 G CA 0.004 45.154 45.100 0.082 0.000 0.739 373 G HN 0.809 nan 8.290 nan 0.000 0.528 374 A N 1.608 124.470 122.820 0.069 0.000 2.521 374 A HA 0.458 4.778 4.320 -0.000 0.000 0.237 374 A C 0.624 178.184 177.584 -0.040 0.000 1.087 374 A CA 0.423 52.472 52.037 0.021 0.000 0.777 374 A CB -0.190 18.825 19.000 0.025 0.000 1.035 374 A HN 0.635 nan 8.150 nan 0.000 0.510 375 H N -0.202 118.818 119.070 -0.082 0.000 2.707 375 H HA 0.260 4.816 4.556 -0.000 0.000 0.359 375 H C 0.869 176.099 175.328 -0.162 0.000 1.113 375 H CA 0.836 56.711 56.048 -0.289 0.000 1.422 375 H CB 0.908 30.502 29.762 -0.279 0.000 1.443 375 H HN 0.712 nan 8.280 nan 0.000 0.591 376 A N 3.344 126.140 122.820 -0.041 0.000 3.051 376 A HA 0.029 4.349 4.320 -0.000 0.000 0.257 376 A C -0.359 177.209 177.584 -0.027 0.000 1.785 376 A CA -0.271 51.766 52.037 -0.000 0.000 1.420 376 A CB -0.846 18.183 19.000 0.049 0.000 1.063 376 A HN 0.449 nan 8.150 nan 0.000 0.630 377 D N 0.620 120.999 120.400 -0.036 0.000 2.485 377 D HA 0.434 5.074 4.640 -0.000 0.000 0.229 377 D C -0.621 175.623 176.300 -0.094 0.000 1.101 377 D CA 0.191 54.156 54.000 -0.058 0.000 0.906 377 D CB 1.287 42.060 40.800 -0.045 0.000 1.019 377 D HN 0.083 nan 8.370 nan 0.000 0.516 378 V N 2.702 122.539 119.914 -0.129 0.000 2.735 378 V HA 0.504 4.624 4.120 -0.000 0.000 0.310 378 V C -0.031 175.954 176.094 -0.181 0.000 1.061 378 V CA -0.789 61.383 62.300 -0.212 0.000 0.913 378 V CB 2.231 33.812 31.823 -0.403 0.000 1.005 378 V HN 0.305 nan 8.190 nan 0.000 0.428 379 L N 3.561 124.675 121.223 -0.183 0.000 2.313 379 L HA 0.763 5.103 4.340 -0.000 0.000 0.268 379 L C -0.911 175.884 176.870 -0.126 0.000 1.010 379 L CA -1.086 53.676 54.840 -0.129 0.000 0.814 379 L CB 2.075 44.058 42.059 -0.127 0.000 1.304 379 L HN 0.275 nan 8.230 nan 0.000 0.441 380 V N 2.023 121.906 119.914 -0.052 0.000 2.407 380 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 380 V C -0.161 175.922 176.094 -0.017 0.000 1.018 380 V CA -0.528 61.763 62.300 -0.016 0.000 0.842 380 V CB 2.055 33.915 31.823 0.062 0.000 0.996 380 V HN 0.435 nan 8.190 nan 0.000 0.426 381 V N 2.912 122.807 119.914 -0.032 0.000 2.667 381 V HA 0.444 4.564 4.120 -0.000 0.000 0.308 381 V C -0.065 176.022 176.094 -0.012 0.000 1.048 381 V CA -0.686 61.595 62.300 -0.031 0.000 0.928 381 V CB 2.175 33.954 31.823 -0.074 0.000 1.004 381 V HN 0.778 nan 8.190 nan 0.000 0.444 382 D N 2.739 123.145 120.400 0.009 0.000 2.619 382 D HA 0.543 5.183 4.640 -0.000 0.000 0.224 382 D C 0.394 176.663 176.300 -0.052 0.000 1.133 382 D CA 1.251 55.251 54.000 -0.002 0.000 1.017 382 D CB 0.184 41.008 40.800 0.039 0.000 1.077 382 D HN 0.948 nan 8.370 nan 0.000 0.503 383 G N 1.532 110.301 108.800 -0.051 0.000 2.350 383 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.282 383 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.282 383 G C -1.422 173.440 174.900 -0.063 0.000 1.314 383 G CA -0.969 44.091 45.100 -0.067 0.000 0.915 383 G HN 0.296 nan 8.290 nan 0.000 0.499 384 N N 0.777 119.437 118.700 -0.067 0.000 2.576 384 N HA 0.455 5.194 4.740 -0.000 0.000 0.269 384 N C -2.034 173.429 175.510 -0.079 0.000 1.058 384 N CA -1.670 51.341 53.050 -0.064 0.000 0.860 384 N CB 2.653 41.114 38.487 -0.042 0.000 1.249 384 N HN 0.043 nan 8.380 nan 0.000 0.525 385 P HA -0.051 nan 4.420 nan 0.000 0.219 385 P C 1.604 178.844 177.300 -0.099 0.000 1.146 385 P CA 0.804 63.821 63.100 -0.140 0.000 0.808 385 P CB 0.529 32.111 31.700 -0.197 0.000 0.779 386 L N -0.542 120.639 121.223 -0.070 0.000 2.017 386 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 386 L C 2.595 179.447 176.870 -0.030 0.000 1.073 386 L CA 1.688 56.503 54.840 -0.042 0.000 0.745 386 L CB -0.685 41.361 42.059 -0.022 0.000 0.894 386 L HN -0.030 nan 8.230 nan 0.000 0.432 387 K N -0.903 119.478 120.400 -0.031 0.000 2.044 387 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 387 K C 0.687 177.270 176.600 -0.027 0.000 1.049 387 K CA 0.740 57.013 56.287 -0.023 0.000 0.945 387 K CB 0.315 32.802 32.500 -0.021 0.000 0.724 387 K HN 0.107 nan 8.250 nan 0.000 0.440 388 S N -0.274 115.401 115.700 -0.043 0.000 2.548 388 S HA 0.275 4.744 4.470 -0.000 0.000 0.276 388 S C -1.223 173.334 174.600 -0.070 0.000 1.129 388 S CA -0.838 57.336 58.200 -0.043 0.000 0.931 388 S CB 2.055 65.231 63.200 -0.041 0.000 1.068 388 S HN -0.011 nan 8.310 nan 0.000 0.480 389 V N 4.809 124.687 119.914 -0.060 0.000 2.615 389 V HA 0.415 4.535 4.120 -0.000 0.000 0.308 389 V C -0.522 175.535 176.094 -0.061 0.000 1.257 389 V CA -0.052 62.183 62.300 -0.109 0.000 1.454 389 V CB 0.049 31.817 31.823 -0.092 0.000 1.537 389 V HN 0.891 nan 8.190 nan 0.000 0.566 390 D N 0.236 120.603 120.400 -0.054 0.000 2.469 390 D HA 0.031 4.670 4.640 -0.000 0.000 0.240 390 D C 1.934 178.242 176.300 0.013 0.000 1.087 390 D CA 1.112 55.110 54.000 -0.005 0.000 0.876 390 D CB 0.339 41.132 40.800 -0.011 0.000 1.160 390 D HN 0.714 nan 8.370 nan 0.000 0.497 391 C N 0.522 119.792 119.300 -0.051 0.000 2.430 391 C HA 0.138 4.598 4.460 -0.000 0.000 0.288 391 C C 2.384 177.388 174.990 0.024 0.000 1.448 391 C CA -0.015 58.999 59.018 -0.007 0.000 1.784 391 C CB -1.559 26.137 27.740 -0.074 0.000 1.776 391 C HN 0.188 nan 8.230 nan 0.000 0.547 392 L N 0.052 121.229 121.223 -0.077 0.000 2.408 392 L HA 0.239 4.579 4.340 -0.000 0.000 0.215 392 L C 1.337 178.222 176.870 0.025 0.000 1.081 392 L CA 0.098 54.850 54.840 -0.147 0.000 0.840 392 L CB -0.414 41.339 42.059 -0.510 0.000 1.002 392 L HN 0.274 nan 8.230 nan 0.000 0.468 393 L N 0.376 121.655 121.223 0.093 0.000 2.482 393 L HA 0.279 4.619 4.340 -0.000 0.000 0.273 393 L C 1.100 178.043 176.870 0.120 0.000 1.228 393 L CA 0.696 55.628 54.840 0.154 0.000 0.827 393 L CB -0.561 41.587 42.059 0.148 0.000 1.099 393 L HN 0.338 nan 8.230 nan 0.000 0.494 394 G N 1.671 110.545 108.800 0.123 0.000 2.632 394 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.224 394 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.224 394 G C -0.145 174.800 174.900 0.075 0.000 1.341 394 G CA -0.505 44.644 45.100 0.080 0.000 0.880 394 G HN 0.570 nan 8.290 nan 0.000 0.566 395 Q N 1.295 121.119 119.800 0.040 0.000 2.642 395 Q HA 0.396 4.736 4.340 -0.000 0.000 0.319 395 Q C 1.481 177.495 176.000 0.023 0.000 1.030 395 Q CA 0.972 56.804 55.803 0.047 0.000 0.943 395 Q CB -0.176 28.584 28.738 0.036 0.000 1.323 395 Q HN 2.312 nan 8.270 nan 0.000 0.419 396 G N 1.269 110.078 108.800 0.015 0.000 2.305 396 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.287 396 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.287 396 G C 0.681 175.544 174.900 -0.062 0.000 1.036 396 G CA 0.738 45.832 45.100 -0.010 0.000 0.887 396 G HN 0.410 nan 8.290 nan 0.000 0.505 397 E N -0.333 119.771 120.200 -0.160 0.000 2.077 397 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 397 E C 1.750 178.189 176.600 -0.267 0.000 0.989 397 E CA 1.327 57.568 56.400 -0.265 0.000 0.800 397 E CB -0.089 29.346 29.700 -0.441 0.000 0.746 397 E HN 0.724 nan 8.360 nan 0.000 0.452 398 H N -0.479 118.588 119.070 -0.005 0.000 2.567 398 H HA 0.230 4.786 4.556 -0.000 0.000 0.294 398 H C -0.154 175.156 175.328 -0.030 0.000 1.050 398 H CA 0.300 56.337 56.048 -0.017 0.000 1.168 398 H CB -0.330 29.417 29.762 -0.025 0.000 1.422 398 H HN 0.127 nan 8.280 nan 0.000 0.562 399 I N 2.556 123.146 120.570 0.034 0.000 2.668 399 I HA 0.141 4.311 4.170 -0.000 0.000 0.276 399 I C -1.759 174.368 176.117 0.016 0.000 1.139 399 I CA -1.599 59.708 61.300 0.011 0.000 1.133 399 I CB 1.962 39.951 38.000 -0.018 0.000 1.327 399 I HN -0.170 nan 8.210 nan 0.000 0.520 400 P HA -0.069 nan 4.420 nan 0.000 0.225 400 P C 0.296 177.616 177.300 0.033 0.000 1.148 400 P CA 0.979 64.095 63.100 0.027 0.000 0.779 400 P CB 0.995 32.717 31.700 0.037 0.000 0.780 401 L N -0.632 120.616 121.223 0.042 0.000 2.431 401 L HA 0.525 4.864 4.340 -0.000 0.000 0.266 401 L C -1.485 175.416 176.870 0.052 0.000 0.978 401 L CA -0.941 53.934 54.840 0.058 0.000 0.822 401 L CB 2.675 44.797 42.059 0.104 0.000 1.310 401 L HN -0.448 nan 8.230 nan 0.000 0.409 402 V N 5.638 125.599 119.914 0.080 0.000 2.488 402 V HA 0.420 4.540 4.120 -0.000 0.000 0.293 402 V C -0.307 175.839 176.094 0.087 0.000 1.027 402 V CA -0.295 62.057 62.300 0.087 0.000 0.862 402 V CB 1.554 33.484 31.823 0.180 0.000 1.008 402 V HN 0.832 nan 8.190 nan 0.000 0.428 403 M N 5.051 124.662 119.600 0.018 0.000 2.336 403 M HA 0.645 5.125 4.480 -0.000 0.000 0.342 403 M C -0.902 175.381 176.300 -0.028 0.000 1.128 403 M CA -0.458 54.838 55.300 -0.007 0.000 1.016 403 M CB 1.698 34.284 32.600 -0.023 0.000 1.665 403 M HN 0.678 nan 8.290 nan 0.000 0.445 404 K N 3.794 124.179 120.400 -0.024 0.000 2.525 404 K HA 0.217 4.537 4.320 -0.000 0.000 0.254 404 K C -1.098 175.479 176.600 -0.038 0.000 0.934 404 K CA -0.320 55.939 56.287 -0.048 0.000 0.802 404 K CB 1.289 33.745 32.500 -0.073 0.000 1.295 404 K HN 0.838 nan 8.250 nan 0.000 0.433 405 D N 2.676 123.041 120.400 -0.058 0.000 2.811 405 D HA -0.178 4.462 4.640 -0.000 0.000 0.231 405 D C 0.438 176.751 176.300 0.023 0.000 1.157 405 D CA 1.938 55.912 54.000 -0.042 0.000 0.716 405 D CB -1.154 39.624 40.800 -0.038 0.000 1.077 405 D HN 1.117 nan 8.370 nan 0.000 0.428 406 G N -0.037 108.780 108.800 0.028 0.000 2.273 406 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 406 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 406 G C 0.146 175.087 174.900 0.068 0.000 1.047 406 G CA 0.748 45.898 45.100 0.083 0.000 0.869 406 G HN 0.518 nan 8.290 nan 0.000 0.502 407 R N -1.137 119.362 120.500 -0.001 0.000 2.574 407 R HA 0.562 4.902 4.340 -0.000 0.000 0.288 407 R C 0.382 176.652 176.300 -0.050 0.000 1.004 407 R CA -0.898 55.201 56.100 -0.000 0.000 0.895 407 R CB 1.193 31.531 30.300 0.063 0.000 1.191 407 R HN 0.187 nan 8.270 nan 0.000 0.444 408 L N 4.492 125.646 121.223 -0.115 0.000 2.410 408 L HA 0.153 4.493 4.340 -0.000 0.000 0.273 408 L C 0.630 177.539 176.870 0.066 0.000 1.144 408 L CA 0.337 55.137 54.840 -0.068 0.000 0.863 408 L CB 0.430 42.415 42.059 -0.123 0.000 1.140 408 L HN 0.730 nan 8.230 nan 0.000 0.463 409 F N 4.048 123.972 119.950 -0.044 0.000 2.490 409 F HA 0.288 4.815 4.527 -0.000 0.000 0.280 409 F C 0.426 176.217 175.800 -0.014 0.000 1.030 409 F CA 0.089 58.076 58.000 -0.022 0.000 1.367 409 F CB 0.727 39.716 39.000 -0.018 0.000 1.131 409 F HN 0.112 nan 8.300 nan 0.000 0.632 410 V N 2.037 121.894 119.914 -0.094 0.000 2.531 410 V HA 0.376 4.496 4.120 -0.000 0.000 0.301 410 V C -1.221 174.845 176.094 -0.047 0.000 1.034 410 V CA -0.642 61.547 62.300 -0.184 0.000 0.865 410 V CB 1.482 33.267 31.823 -0.063 0.000 0.995 410 V HN 0.355 nan 8.190 nan 0.000 0.424 411 N N 3.232 121.896 118.700 -0.061 0.000 2.751 411 N HA 0.152 4.892 4.740 -0.000 0.000 0.234 411 N C 0.402 175.907 175.510 -0.009 0.000 1.403 411 N CA -0.317 52.726 53.050 -0.011 0.000 0.747 411 N CB 1.240 39.728 38.487 0.003 0.000 1.326 411 N HN 0.833 nan 8.380 nan 0.000 0.532 412 E N 1.122 121.317 120.200 -0.007 0.000 2.368 412 E HA 0.024 4.374 4.350 -0.000 0.000 0.188 412 E C 0.869 177.477 176.600 0.013 0.000 1.061 412 E CA -0.285 56.112 56.400 -0.005 0.000 0.933 412 E CB 0.420 30.112 29.700 -0.012 0.000 1.091 412 E HN 0.283 nan 8.360 nan 0.000 0.458 413 L N 1.310 122.548 121.223 0.025 0.000 2.007 413 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 413 L C 1.049 177.938 176.870 0.032 0.000 1.073 413 L CA 1.618 56.480 54.840 0.036 0.000 0.744 413 L CB -0.017 42.074 42.059 0.054 0.000 0.898 413 L HN 0.087 nan 8.230 nan 0.000 0.435 414 E N 0.000 120.221 120.200 0.036 0.000 2.725 414 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 414 E CA 0.000 56.421 56.400 0.035 0.000 0.976 414 E CB 0.000 29.734 29.700 0.057 0.000 0.812 414 E HN 0.000 nan 8.360 nan 0.000 0.440