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 2g6v_1_A DATA FIRST_RESID -4 DATA SEQUENCE TLYIQGQDEY YXARALKLAQ RGRFTTHPNP NVGCVIVKDG EIVGEGYHQR DATA SEQUENCE AGEPHAEVHA LRXAGEKAKG ATAYVTLEPC XXXXXXXPCC DALIAAGVAR DATA SEQUENCE VVASXQDPNP QVAGRGLYRL QQAGIDVSHG LXXSEAEQLN KGFLKRXRTG DATA SEQUENCE FPYIQLKLGA SLDGRTAXXX XESQWITSPQ ARRDVQLLRA QSHAILTSSA DATA SEQUENCE TVLADDPALT VRWSELDEQT QALYPQQNLR QPIRIVIDSQ NRVTPVHRIV DATA SEQUENCE QQPGETWFAR TQEDSREWPE TVRTLLIPEH KGHLDLVVLX XQLGKQQINS DATA SEQUENCE IWVEAGPTLA GALLQAGLVD ELIVYIAPKL LGSDARGLCT LPGXXXXXXX DATA SEQUENCE PQFKFKEIRH VGPDVCLHLV GA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 T HA 0.000 nan 4.350 nan 0.000 0.228 -4 T C 0.000 174.615 174.700 -0.142 0.000 1.109 -4 T CA 0.000 62.049 62.100 -0.086 0.000 1.349 -4 T CB 0.000 68.827 68.868 -0.069 0.000 0.612 -3 L N 0.564 121.785 121.223 -0.005 0.000 2.109 -3 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 -3 L C 2.611 179.487 176.870 0.010 0.000 1.086 -3 L CA 1.866 56.713 54.840 0.011 0.000 0.760 -3 L CB -0.185 41.910 42.059 0.060 0.000 0.910 -3 L HN 0.709 nan 8.230 nan 0.000 0.437 -2 Y N -1.742 118.566 120.300 0.012 0.000 2.333 -2 Y HA -0.150 4.399 4.550 -0.000 0.000 0.290 -2 Y C 2.037 177.952 175.900 0.024 0.000 1.144 -2 Y CA 1.059 59.164 58.100 0.008 0.000 1.228 -2 Y CB -0.855 37.608 38.460 0.005 0.000 0.985 -2 Y HN 0.052 nan 8.280 nan 0.000 0.542 -1 I N 0.886 121.047 120.570 -0.682 0.000 2.353 -1 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 -1 I C 2.836 178.876 176.117 -0.128 0.000 1.119 -1 I CA 1.631 62.674 61.300 -0.429 0.000 1.417 -1 I CB -0.456 37.245 38.000 -0.498 0.000 1.078 -1 I HN 0.329 nan 8.210 nan 0.000 0.421 0 Q N 0.919 120.653 119.800 -0.110 0.000 2.124 0 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 0 Q C 2.219 178.214 176.000 -0.008 0.000 0.977 0 Q CA 1.872 57.657 55.803 -0.031 0.000 0.850 0 Q CB -0.263 28.459 28.738 -0.027 0.000 0.901 0 Q HN 0.559 nan 8.270 nan 0.000 0.429 1 G N 0.033 108.828 108.800 -0.009 0.000 2.402 1 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 1 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 1 G C 1.342 176.228 174.900 -0.023 0.000 1.162 1 G CA 0.436 45.535 45.100 -0.002 0.000 0.777 1 G HN 0.252 nan 8.290 nan 0.000 0.539 2 Q N 0.877 120.668 119.800 -0.015 0.000 2.046 2 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 2 Q C 2.282 178.257 176.000 -0.041 0.000 0.975 2 Q CA 1.281 57.051 55.803 -0.055 0.000 0.836 2 Q CB -0.600 28.202 28.738 0.107 0.000 0.896 2 Q HN 0.349 nan 8.270 nan 0.000 0.428 3 D N 1.056 121.512 120.400 0.094 0.000 2.116 3 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 3 D C 1.833 178.114 176.300 -0.032 0.000 0.998 3 D CA 1.200 55.284 54.000 0.140 0.000 0.836 3 D CB -0.090 40.846 40.800 0.226 0.000 0.951 3 D HN 0.387 nan 8.370 nan 0.000 0.449 4 E N -0.789 119.400 120.200 -0.018 0.000 2.085 4 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 4 E C 2.007 178.553 176.600 -0.091 0.000 0.994 4 E CA 0.706 57.084 56.400 -0.036 0.000 0.801 4 E CB -0.177 29.515 29.700 -0.013 0.000 0.743 4 E HN 0.393 nan 8.360 nan 0.000 0.453 5 Y N 0.239 120.380 120.300 -0.264 0.000 2.114 5 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 5 Y C 0.658 176.336 175.900 -0.370 0.000 1.143 5 Y CA 1.274 59.164 58.100 -0.350 0.000 1.135 5 Y CB -0.194 37.966 38.460 -0.501 0.000 0.980 5 Y HN -0.058 nan 8.280 nan 0.000 0.499 9 R N 1.619 121.967 120.500 -0.253 0.000 2.073 9 R HA 0.094 4.434 4.340 -0.000 0.000 0.234 9 R C 2.069 178.314 176.300 -0.091 0.000 1.134 9 R CA 2.767 58.747 56.100 -0.201 0.000 0.952 9 R CB -0.876 29.294 30.300 -0.218 0.000 0.850 9 R HN 0.674 nan 8.270 nan 0.000 0.433 10 A N 0.604 123.398 122.820 -0.043 0.000 1.908 10 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 10 A C 2.308 179.883 177.584 -0.016 0.000 1.181 10 A CA 1.654 53.699 52.037 0.013 0.000 0.627 10 A CB -0.689 18.357 19.000 0.076 0.000 0.818 10 A HN 0.373 nan 8.150 nan 0.000 0.445 11 L N -1.206 119.992 121.223 -0.041 0.000 2.046 11 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 11 L C 2.611 179.429 176.870 -0.087 0.000 1.077 11 L CA 1.744 56.550 54.840 -0.056 0.000 0.747 11 L CB -0.376 41.648 42.059 -0.057 0.000 0.896 11 L HN 0.236 nan 8.230 nan 0.000 0.432 12 K N 0.430 120.768 120.400 -0.104 0.000 2.026 12 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 12 K C 1.978 178.480 176.600 -0.163 0.000 1.048 12 K CA 1.456 57.668 56.287 -0.125 0.000 0.929 12 K CB -0.426 31.999 32.500 -0.125 0.000 0.713 12 K HN 0.144 nan 8.250 nan 0.000 0.439 13 L N -0.365 120.772 121.223 -0.144 0.000 2.017 13 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 13 L C 2.389 179.097 176.870 -0.271 0.000 1.073 13 L CA 1.437 56.151 54.840 -0.212 0.000 0.745 13 L CB -0.730 41.316 42.059 -0.023 0.000 0.894 13 L HN 0.214 nan 8.230 nan 0.000 0.432 14 A N -0.555 122.205 122.820 -0.100 0.000 1.917 14 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 14 A C 2.238 179.735 177.584 -0.145 0.000 1.182 14 A CA 1.990 53.991 52.037 -0.059 0.000 0.633 14 A CB -0.664 18.313 19.000 -0.037 0.000 0.819 14 A HN 0.499 nan 8.150 nan 0.000 0.448 15 Q N -0.818 118.873 119.800 -0.181 0.000 2.297 15 Q HA -0.149 4.191 4.340 -0.000 0.000 0.208 15 Q C 2.084 177.938 176.000 -0.243 0.000 0.981 15 Q CA 1.054 56.736 55.803 -0.201 0.000 0.876 15 Q CB -0.073 28.563 28.738 -0.169 0.000 0.921 15 Q HN 0.674 nan 8.270 nan 0.000 0.446 16 R N -1.408 118.885 120.500 -0.344 0.000 2.237 16 R HA -0.059 4.281 4.340 -0.000 0.000 0.219 16 R C 1.757 177.959 176.300 -0.162 0.000 1.080 16 R CA 0.969 56.848 56.100 -0.368 0.000 0.995 16 R CB -0.005 29.770 30.300 -0.876 0.000 0.875 16 R HN 0.172 nan 8.270 nan 0.000 0.462 17 G N 1.230 109.966 108.800 -0.106 0.000 3.088 17 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 17 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 17 G C 1.242 176.048 174.900 -0.157 0.000 1.159 17 G CA -0.462 44.641 45.100 0.005 0.000 0.760 17 G HN 0.285 nan 8.290 nan 0.000 0.550 18 R N -0.592 119.731 120.500 -0.295 0.000 2.241 18 R HA 0.067 4.407 4.340 -0.000 0.000 0.224 18 R C 1.085 177.073 176.300 -0.521 0.000 1.101 18 R CA 0.840 56.666 56.100 -0.456 0.000 0.995 18 R CB -0.478 29.500 30.300 -0.536 0.000 0.870 18 R HN 0.305 nan 8.270 nan 0.000 0.463 19 F N 1.263 121.036 119.950 -0.295 0.000 2.754 19 F HA 0.120 4.647 4.527 -0.000 0.000 0.297 19 F C 1.419 177.043 175.800 -0.292 0.000 1.122 19 F CA 0.985 58.757 58.000 -0.381 0.000 1.400 19 F CB 0.775 39.222 39.000 -0.922 0.000 1.117 19 F HN 0.174 nan 8.300 nan 0.000 0.587 20 T N -6.468 108.032 114.554 -0.091 0.000 3.328 20 T HA 0.110 4.460 4.350 -0.000 0.000 0.305 20 T C 1.082 175.744 174.700 -0.063 0.000 0.939 20 T CA 0.266 62.354 62.100 -0.021 0.000 0.950 20 T CB -0.155 68.722 68.868 0.015 0.000 1.182 20 T HN -0.038 nan 8.240 nan 0.000 0.545 21 T N 0.986 115.438 114.554 -0.170 0.000 3.023 21 T HA 0.169 4.519 4.350 -0.000 0.000 0.249 21 T C 0.449 175.060 174.700 -0.149 0.000 1.050 21 T CA -0.039 61.974 62.100 -0.145 0.000 1.088 21 T CB -0.233 68.534 68.868 -0.168 0.000 0.946 21 T HN 0.500 nan 8.240 nan 0.000 0.480 22 H N 2.664 121.637 119.070 -0.163 0.000 3.001 22 H HA 0.063 4.619 4.556 -0.000 0.000 0.334 22 H C -1.532 173.657 175.328 -0.232 0.000 1.034 22 H CA -1.002 54.831 56.048 -0.357 0.000 1.420 22 H CB 0.862 30.078 29.762 -0.909 0.000 1.405 22 H HN 0.287 nan 8.280 nan 0.000 0.593 23 P HA -0.042 nan 4.420 nan 0.000 0.249 23 P C -0.010 177.400 177.300 0.183 0.000 1.229 23 P CA 0.082 63.350 63.100 0.281 0.000 0.788 23 P CB 0.477 32.435 31.700 0.429 0.000 1.072 24 N N 2.103 120.826 118.700 0.038 0.000 2.508 24 N HA 0.143 4.883 4.740 -0.000 0.000 0.264 24 N C -2.159 173.111 175.510 -0.401 0.000 1.216 24 N CA -1.736 51.223 53.050 -0.153 0.000 0.943 24 N CB -0.288 38.191 38.487 -0.014 0.000 1.113 24 N HN 0.177 nan 8.380 nan 0.000 0.447 25 P HA 0.049 nan 4.420 nan 0.000 0.272 25 P C -0.630 176.458 177.300 -0.354 0.000 1.240 25 P CA -0.258 62.385 63.100 -0.762 0.000 0.791 25 P CB 0.674 31.757 31.700 -1.029 0.000 0.978 26 N N 0.142 118.691 118.700 -0.250 0.000 2.458 26 N HA 0.257 4.997 4.740 -0.000 0.000 0.270 26 N C -0.546 174.908 175.510 -0.093 0.000 1.102 26 N CA -0.020 52.955 53.050 -0.126 0.000 0.967 26 N CB 0.649 39.051 38.487 -0.141 0.000 1.078 26 N HN 0.156 nan 8.380 nan 0.000 0.471 27 V N 0.226 120.136 119.914 -0.007 0.000 2.760 27 V HA 0.725 4.845 4.120 -0.000 0.000 0.309 27 V C 0.385 176.538 176.094 0.098 0.000 1.077 27 V CA -0.985 61.316 62.300 0.003 0.000 0.910 27 V CB 2.149 33.934 31.823 -0.065 0.000 1.008 27 V HN 0.734 nan 8.190 nan 0.000 0.424 28 G N 1.057 109.905 108.800 0.079 0.000 2.524 28 G HA2 0.621 4.581 3.960 -0.000 0.000 0.310 28 G HA3 0.621 4.581 3.960 -0.000 0.000 0.310 28 G C -1.419 173.545 174.900 0.107 0.000 1.279 28 G CA -0.570 44.601 45.100 0.118 0.000 0.974 28 G HN 0.895 nan 8.290 nan 0.000 0.484 29 C N 1.548 120.926 119.300 0.129 0.000 2.609 29 C HA 0.781 5.241 4.460 -0.000 0.000 0.313 29 C C -0.797 174.267 174.990 0.125 0.000 1.175 29 C CA -0.275 58.815 59.018 0.120 0.000 1.434 29 C CB 0.716 28.518 27.740 0.103 0.000 2.005 29 C HN 0.609 nan 8.230 nan 0.000 0.471 30 V N 7.193 127.195 119.914 0.147 0.000 2.483 30 V HA 0.478 4.598 4.120 -0.000 0.000 0.297 30 V C -0.268 175.907 176.094 0.135 0.000 1.027 30 V CA -0.244 62.135 62.300 0.132 0.000 0.855 30 V CB 1.538 33.439 31.823 0.129 0.000 0.995 30 V HN 0.762 nan 8.190 nan 0.000 0.424 31 I N 5.016 125.621 120.570 0.059 0.000 2.353 31 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 31 I C -0.414 175.678 176.117 -0.042 0.000 0.992 31 I CA -0.598 60.710 61.300 0.014 0.000 1.268 31 I CB 1.786 39.789 38.000 0.006 0.000 1.387 31 I HN 0.277 nan 8.210 nan 0.000 0.478 32 V N 5.739 125.606 119.914 -0.077 0.000 2.495 32 V HA 0.442 4.562 4.120 -0.000 0.000 0.298 32 V C -0.281 175.774 176.094 -0.064 0.000 1.031 32 V CA -0.783 61.428 62.300 -0.149 0.000 0.871 32 V CB 1.873 33.479 31.823 -0.361 0.000 0.988 32 V HN 0.573 nan 8.190 nan 0.000 0.432 33 K N 3.832 124.210 120.400 -0.036 0.000 2.483 33 K HA 0.414 4.734 4.320 -0.000 0.000 0.256 33 K C -0.356 176.253 176.600 0.015 0.000 0.961 33 K CA -0.443 55.840 56.287 -0.007 0.000 0.873 33 K CB 0.474 32.972 32.500 -0.002 0.000 1.107 33 K HN 0.830 nan 8.250 nan 0.000 0.432 34 D N 3.542 123.960 120.400 0.029 0.000 3.025 34 D HA -0.202 4.438 4.640 -0.000 0.000 0.201 34 D C 0.800 177.142 176.300 0.070 0.000 1.267 34 D CA 1.487 55.519 54.000 0.054 0.000 0.736 34 D CB -1.371 39.456 40.800 0.046 0.000 0.883 34 D HN 0.926 nan 8.370 nan 0.000 0.388 35 G N 0.140 108.999 108.800 0.099 0.000 2.225 35 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 35 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 35 G C -0.007 174.981 174.900 0.145 0.000 0.988 35 G CA 0.262 45.454 45.100 0.153 0.000 0.625 35 G HN 0.700 nan 8.290 nan 0.000 0.527 36 E N -0.153 120.091 120.200 0.074 0.000 2.195 36 E HA 0.596 4.946 4.350 -0.000 0.000 0.271 36 E C -0.136 176.474 176.600 0.015 0.000 0.923 36 E CA -0.966 55.473 56.400 0.066 0.000 0.790 36 E CB 1.885 31.615 29.700 0.050 0.000 1.155 36 E HN 0.289 nan 8.360 nan 0.000 0.402 37 I N 3.146 123.743 120.570 0.045 0.000 2.379 37 I HA -0.031 4.139 4.170 -0.000 0.000 0.290 37 I C 1.124 177.257 176.117 0.026 0.000 1.063 37 I CA -0.021 61.286 61.300 0.012 0.000 1.351 37 I CB 0.608 38.658 38.000 0.084 0.000 1.410 37 I HN 0.448 nan 8.210 nan 0.000 0.505 38 V N 2.677 122.596 119.914 0.009 0.000 3.605 38 V HA 0.552 4.672 4.120 -0.000 0.000 0.284 38 V C 0.618 176.727 176.094 0.024 0.000 1.386 38 V CA 0.129 62.440 62.300 0.018 0.000 1.053 38 V CB 0.208 32.037 31.823 0.009 0.000 0.857 38 V HN 0.742 nan 8.190 nan 0.000 0.436 39 G N -0.236 108.581 108.800 0.029 0.000 2.761 39 G HA2 0.626 4.586 3.960 -0.000 0.000 0.296 39 G HA3 0.626 4.586 3.960 -0.000 0.000 0.296 39 G C -1.497 173.438 174.900 0.058 0.000 1.416 39 G CA -0.384 44.741 45.100 0.042 0.000 1.105 39 G HN 0.210 nan 8.290 nan 0.000 0.565 40 E N -0.237 120.006 120.200 0.072 0.000 2.336 40 E HA 0.782 5.132 4.350 -0.000 0.000 0.267 40 E C -0.296 176.367 176.600 0.106 0.000 0.906 40 E CA -1.082 55.374 56.400 0.094 0.000 0.781 40 E CB 2.953 32.711 29.700 0.097 0.000 1.261 40 E HN 0.872 nan 8.360 nan 0.000 0.436 41 G N 1.080 109.963 108.800 0.138 0.000 2.616 41 G HA2 0.490 4.450 3.960 -0.000 0.000 0.294 41 G HA3 0.490 4.450 3.960 -0.000 0.000 0.294 41 G C -1.990 173.030 174.900 0.200 0.000 1.489 41 G CA -0.713 44.458 45.100 0.117 0.000 0.836 41 G HN 0.460 nan 8.290 nan 0.000 0.527 42 Y N -1.025 119.276 120.300 0.001 0.000 2.615 42 Y HA 0.796 5.346 4.550 0.000 0.000 0.341 42 Y C -0.419 175.535 175.900 0.090 0.000 1.089 42 Y CA -1.630 56.492 58.100 0.036 0.000 1.049 42 Y CB 1.199 39.650 38.460 -0.015 0.000 1.296 42 Y HN 0.715 nan 8.280 nan 0.000 0.470 43 H N 1.321 120.479 119.070 0.146 0.000 2.652 43 H HA 0.297 4.853 4.556 -0.000 0.000 0.349 43 H C 0.079 175.447 175.328 0.066 0.000 1.099 43 H CA 0.619 56.720 56.048 0.088 0.000 1.417 43 H CB 1.616 31.422 29.762 0.074 0.000 1.457 43 H HN 0.886 nan 8.280 nan 0.000 0.568 44 Q N 2.550 122.068 119.800 -0.470 0.000 2.532 44 Q HA 0.321 4.661 4.340 -0.000 0.000 0.247 44 Q C -0.098 175.705 176.000 -0.328 0.000 0.872 44 Q CA 0.158 55.790 55.803 -0.284 0.000 0.963 44 Q CB 1.047 29.631 28.738 -0.257 0.000 1.159 44 Q HN 0.515 nan 8.270 nan 0.000 0.598 45 R N -1.525 118.635 120.500 -0.567 0.000 2.594 45 R HA 0.392 4.732 4.340 -0.000 0.000 0.265 45 R C -0.261 175.956 176.300 -0.138 0.000 1.070 45 R CA 0.131 56.075 56.100 -0.261 0.000 0.909 45 R CB 1.116 31.353 30.300 -0.104 0.000 1.243 45 R HN 0.129 nan 8.270 nan 0.000 0.455 46 A N 1.619 124.505 122.820 0.110 0.000 1.958 46 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 46 A C 1.787 179.449 177.584 0.130 0.000 1.178 46 A CA 2.383 54.548 52.037 0.214 0.000 0.642 46 A CB -0.812 18.284 19.000 0.161 0.000 0.816 46 A HN 0.876 nan 8.150 nan 0.000 0.453 47 G N -0.933 107.903 108.800 0.061 0.000 2.403 47 G HA2 0.061 4.020 3.960 -0.000 0.000 0.216 47 G HA3 0.061 4.020 3.960 -0.000 0.000 0.216 47 G C 0.777 175.680 174.900 0.004 0.000 1.154 47 G CA 0.817 45.935 45.100 0.031 0.000 0.784 47 G HN 0.560 nan 8.290 nan 0.000 0.538 48 E N 0.456 120.645 120.200 -0.018 0.000 2.351 48 E HA 0.380 4.730 4.350 -0.000 0.000 0.255 48 E C -2.108 174.486 176.600 -0.010 0.000 1.188 48 E CA -1.616 54.764 56.400 -0.032 0.000 0.940 48 E CB 0.669 30.341 29.700 -0.046 0.000 1.094 48 E HN 0.038 nan 8.360 nan 0.000 0.474 49 P HA 0.040 nan 4.420 nan 0.000 0.270 49 P C -0.889 176.438 177.300 0.045 0.000 1.223 49 P CA 0.248 63.217 63.100 -0.218 0.000 0.785 49 P CB 0.369 31.752 31.700 -0.529 0.000 0.923 50 H N -0.223 118.872 119.070 0.043 0.000 2.690 50 H HA 0.192 4.748 4.556 0.000 0.000 0.365 50 H C 1.478 176.884 175.328 0.131 0.000 1.142 50 H CA -0.213 55.890 56.048 0.093 0.000 1.417 50 H CB 0.695 30.431 29.762 -0.043 0.000 1.446 50 H HN 0.449 nan 8.280 nan 0.000 0.599 51 A N 2.779 125.795 122.820 0.326 0.000 1.903 51 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 51 A C 2.019 179.714 177.584 0.186 0.000 1.191 51 A CA 2.225 54.422 52.037 0.268 0.000 0.638 51 A CB -0.521 18.593 19.000 0.190 0.000 0.823 51 A HN 0.864 nan 8.150 nan 0.000 0.451 52 E N -0.280 119.994 120.200 0.123 0.000 2.110 52 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 52 E C 1.848 178.481 176.600 0.055 0.000 0.988 52 E CA 1.207 57.654 56.400 0.077 0.000 0.804 52 E CB -0.623 29.105 29.700 0.048 0.000 0.745 52 E HN 0.368 nan 8.360 nan 0.000 0.458 53 V N 0.891 120.823 119.914 0.029 0.000 2.295 53 V HA -0.290 3.829 4.120 -0.000 0.000 0.246 53 V C 1.883 177.935 176.094 -0.069 0.000 1.049 53 V CA 2.211 64.479 62.300 -0.053 0.000 1.024 53 V CB -0.682 31.064 31.823 -0.128 0.000 0.648 53 V HN 0.330 nan 8.190 nan 0.000 0.447 54 H N 0.247 119.322 119.070 0.008 0.000 2.289 54 H HA -0.169 4.387 4.556 -0.000 0.000 0.296 54 H C 2.304 177.631 175.328 -0.001 0.000 1.091 54 H CA 1.971 58.009 56.048 -0.017 0.000 1.274 54 H CB -0.326 29.404 29.762 -0.054 0.000 1.364 54 H HN 0.452 nan 8.280 nan 0.000 0.490 55 A N 0.506 123.414 122.820 0.146 0.000 1.902 55 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 55 A C 2.145 179.763 177.584 0.057 0.000 1.181 55 A CA 1.343 53.437 52.037 0.094 0.000 0.623 55 A CB -0.515 18.539 19.000 0.090 0.000 0.818 55 A HN 0.205 nan 8.150 nan 0.000 0.443 56 L N -0.274 120.973 121.223 0.041 0.000 2.046 56 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 56 L C 1.728 178.607 176.870 0.015 0.000 1.077 56 L CA 1.205 56.056 54.840 0.019 0.000 0.747 56 L CB -0.981 41.082 42.059 0.007 0.000 0.896 56 L HN 0.325 nan 8.230 nan 0.000 0.432 60 G N 0.573 109.379 108.800 0.009 0.000 2.684 60 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.332 60 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.332 60 G C 0.775 175.676 174.900 0.002 0.000 1.306 60 G CA 1.122 46.225 45.100 0.005 0.000 1.002 60 G HN 0.707 nan 8.290 nan 0.000 0.545 61 E N 0.722 120.924 120.200 0.002 0.000 2.265 61 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 61 E C 2.527 179.128 176.600 0.001 0.000 0.996 61 E CA 1.272 57.672 56.400 0.001 0.000 0.832 61 E CB -0.139 29.562 29.700 0.002 0.000 0.756 61 E HN 0.589 nan 8.360 nan 0.000 0.491 62 K N 0.487 120.889 120.400 0.003 0.000 2.280 62 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 62 K C 2.002 178.602 176.600 -0.001 0.000 1.047 62 K CA 0.828 57.117 56.287 0.003 0.000 0.942 62 K CB 0.002 32.506 32.500 0.007 0.000 0.739 62 K HN 0.036 nan 8.250 nan 0.000 0.457 63 A N 1.603 124.422 122.820 -0.002 0.000 2.015 63 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 63 A C 1.765 179.342 177.584 -0.012 0.000 1.163 63 A CA 1.093 53.125 52.037 -0.008 0.000 0.646 63 A CB -0.168 18.828 19.000 -0.007 0.000 0.806 63 A HN 0.030 nan 8.150 nan 0.000 0.448 64 K N -0.063 120.332 120.400 -0.008 0.000 2.032 64 K HA -0.215 4.105 4.320 -0.000 0.000 0.218 64 K C 2.010 178.604 176.600 -0.011 0.000 1.054 64 K CA 1.656 57.938 56.287 -0.009 0.000 0.941 64 K CB -1.294 31.203 32.500 -0.006 0.000 0.720 64 K HN 0.462 nan 8.250 nan 0.000 0.449 65 G N 0.026 108.821 108.800 -0.008 0.000 2.877 65 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.211 65 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.211 65 G C 0.808 175.699 174.900 -0.015 0.000 1.367 65 G CA 1.983 47.079 45.100 -0.008 0.000 0.807 65 G HN 0.645 nan 8.290 nan 0.000 0.666 66 A N -2.724 120.083 122.820 -0.021 0.000 4.208 66 A HA 0.634 4.954 4.320 -0.000 0.000 0.243 66 A C 0.250 177.796 177.584 -0.064 0.000 0.946 66 A CA 0.453 52.469 52.037 -0.035 0.000 0.652 66 A CB -0.388 18.599 19.000 -0.021 0.000 1.617 66 A HN 0.733 nan 8.150 nan 0.000 0.824 67 T N 1.610 116.108 114.554 -0.093 0.000 2.588 67 T HA 0.306 4.656 4.350 -0.000 0.000 0.236 67 T C 0.222 174.780 174.700 -0.236 0.000 1.027 67 T CA 1.052 63.032 62.100 -0.201 0.000 1.167 67 T CB -0.611 68.108 68.868 -0.249 0.000 1.014 67 T HN 1.542 nan 8.240 nan 0.000 0.476 68 A N 3.932 126.585 122.820 -0.279 0.000 2.303 68 A HA 0.622 4.942 4.320 -0.000 0.000 0.320 68 A C -0.819 176.561 177.584 -0.341 0.000 1.192 68 A CA -0.811 51.103 52.037 -0.206 0.000 0.821 68 A CB 0.610 19.555 19.000 -0.092 0.000 1.188 68 A HN 0.790 nan 8.150 nan 0.000 0.492 69 Y N 2.178 122.480 120.300 0.003 0.000 2.404 69 Y HA 0.436 4.986 4.550 -0.000 0.000 0.344 69 Y C 0.489 176.406 175.900 0.028 0.000 0.970 69 Y CA -0.463 57.655 58.100 0.030 0.000 1.180 69 Y CB 1.442 39.939 38.460 0.062 0.000 1.138 69 Y HN 0.580 nan 8.280 nan 0.000 0.510 70 V N -0.124 119.861 119.914 0.118 0.000 2.628 70 V HA 0.438 4.558 4.120 -0.000 0.000 0.306 70 V C 0.491 176.633 176.094 0.080 0.000 1.045 70 V CA -0.638 61.711 62.300 0.082 0.000 0.905 70 V CB 1.784 33.627 31.823 0.034 0.000 0.997 70 V HN 0.737 nan 8.190 nan 0.000 0.436 71 T N 2.698 117.287 114.554 0.058 0.000 3.081 71 T HA 0.277 4.627 4.350 -0.000 0.000 0.255 71 T C 0.028 174.744 174.700 0.026 0.000 1.113 71 T CA 0.851 62.976 62.100 0.043 0.000 1.082 71 T CB -0.586 68.296 68.868 0.024 0.000 0.939 71 T HN 0.705 nan 8.240 nan 0.000 0.506 72 L N 1.059 122.290 121.223 0.013 0.000 2.472 72 L HA 0.658 4.998 4.340 -0.000 0.000 0.260 72 L C -0.502 176.364 176.870 -0.007 0.000 0.963 72 L CA -0.390 54.451 54.840 0.002 0.000 0.829 72 L CB 1.215 43.256 42.059 -0.030 0.000 1.348 72 L HN 0.061 nan 8.230 nan 0.000 0.408 73 E N 4.452 124.651 120.200 -0.002 0.000 2.465 73 E HA 0.380 4.729 4.350 -0.000 0.000 0.260 73 E C -2.535 174.045 176.600 -0.033 0.000 0.980 73 E CA -0.902 55.491 56.400 -0.013 0.000 0.927 73 E CB -0.868 28.820 29.700 -0.021 0.000 0.934 73 E HN 0.530 nan 8.360 nan 0.000 0.459 74 P HA 0.471 nan 4.420 nan 0.000 0.279 74 P C -0.270 177.007 177.300 -0.038 0.000 1.252 74 P CA -0.442 62.628 63.100 -0.050 0.000 0.811 74 P CB 0.724 32.406 31.700 -0.030 0.000 1.035 84 C N -1.570 117.762 119.300 0.052 0.000 4.405 84 C HA 0.192 4.652 4.460 -0.000 0.000 0.362 84 C C 1.882 176.891 174.990 0.033 0.000 1.885 84 C CA 0.723 59.779 59.018 0.063 0.000 1.776 84 C CB -0.804 27.033 27.740 0.161 0.000 2.989 84 C HN 0.721 nan 8.230 nan 0.000 0.612 85 C N 0.424 119.736 119.300 0.019 0.000 2.512 85 C HA 0.081 4.541 4.460 -0.000 0.000 0.276 85 C C 2.292 177.281 174.990 -0.001 0.000 1.368 85 C CA 1.525 60.547 59.018 0.005 0.000 1.755 85 C CB -0.913 26.829 27.740 0.003 0.000 2.008 85 C HN 0.741 nan 8.230 nan 0.000 0.511 86 D N 0.985 121.385 120.400 0.001 0.000 2.117 86 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 86 D C 2.260 178.557 176.300 -0.006 0.000 0.987 86 D CA 1.530 55.528 54.000 -0.004 0.000 0.829 86 D CB -0.097 40.701 40.800 -0.003 0.000 0.961 86 D HN 0.462 nan 8.370 nan 0.000 0.460 87 A N 0.377 123.195 122.820 -0.003 0.000 1.948 87 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 87 A C 2.202 179.782 177.584 -0.007 0.000 1.177 87 A CA 1.076 53.110 52.037 -0.006 0.000 0.636 87 A CB -0.626 18.372 19.000 -0.004 0.000 0.815 87 A HN 0.312 nan 8.150 nan 0.000 0.449 88 L N -0.471 120.748 121.223 -0.007 0.000 2.068 88 L HA 0.024 4.364 4.340 -0.000 0.000 0.204 88 L C 2.326 179.185 176.870 -0.017 0.000 1.076 88 L CA 1.481 56.314 54.840 -0.012 0.000 0.753 88 L CB -0.478 41.573 42.059 -0.014 0.000 0.910 88 L HN 0.427 nan 8.230 nan 0.000 0.439 89 I N -0.918 119.642 120.570 -0.018 0.000 2.252 89 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 89 I C 2.524 178.630 176.117 -0.018 0.000 1.102 89 I CA 1.127 62.414 61.300 -0.021 0.000 1.385 89 I CB -0.593 37.394 38.000 -0.022 0.000 1.064 89 I HN 0.238 nan 8.210 nan 0.000 0.414 90 A N 0.820 123.632 122.820 -0.014 0.000 1.933 90 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 90 A C 1.768 179.345 177.584 -0.012 0.000 1.175 90 A CA 1.363 53.392 52.037 -0.013 0.000 0.628 90 A CB -0.623 18.370 19.000 -0.011 0.000 0.814 90 A HN 0.366 nan 8.150 nan 0.000 0.444 91 A N 0.632 123.444 122.820 -0.012 0.000 2.923 91 A HA 0.500 4.820 4.320 -0.000 0.000 0.306 91 A C 0.942 178.517 177.584 -0.015 0.000 1.542 91 A CA 0.110 52.140 52.037 -0.012 0.000 1.225 91 A CB -1.088 17.906 19.000 -0.010 0.000 1.147 91 A HN 0.843 nan 8.150 nan 0.000 0.542 92 G N 2.250 111.041 108.800 -0.016 0.000 2.608 92 G HA2 0.281 4.241 3.960 -0.000 0.000 0.283 92 G HA3 0.281 4.241 3.960 -0.000 0.000 0.283 92 G C 0.524 175.411 174.900 -0.022 0.000 0.648 92 G CA 0.507 45.596 45.100 -0.019 0.000 2.117 92 G HN 1.483 nan 8.290 nan 0.000 0.545 93 V N 0.064 119.961 119.914 -0.028 0.000 2.740 93 V HA 0.668 4.788 4.120 -0.000 0.000 0.303 93 V C 0.599 176.669 176.094 -0.039 0.000 1.054 93 V CA -0.736 61.542 62.300 -0.036 0.000 1.106 93 V CB 0.847 32.642 31.823 -0.047 0.000 0.957 93 V HN 0.751 nan 8.190 nan 0.000 0.486 94 A N 5.239 128.035 122.820 -0.040 0.000 2.290 94 A HA 0.772 5.092 4.320 -0.000 0.000 0.310 94 A C 0.413 177.960 177.584 -0.062 0.000 1.202 94 A CA -0.445 51.567 52.037 -0.041 0.000 0.837 94 A CB 0.154 19.137 19.000 -0.029 0.000 1.139 94 A HN 1.542 nan 8.150 nan 0.000 0.509 95 R N -0.248 120.212 120.500 -0.067 0.000 1.181 95 R HA -0.053 4.287 4.340 -0.000 0.000 0.422 95 R C -1.014 175.206 176.300 -0.133 0.000 1.335 95 R CA 0.667 56.710 56.100 -0.095 0.000 1.047 95 R CB -1.370 28.864 30.300 -0.108 0.000 3.189 95 R HN 1.929 nan 8.270 nan 0.000 0.504 96 V N 3.093 122.935 119.914 -0.119 0.000 2.604 96 V HA 0.864 4.984 4.120 -0.000 0.000 0.305 96 V C -0.662 175.351 176.094 -0.136 0.000 1.043 96 V CA -0.529 61.682 62.300 -0.148 0.000 0.888 96 V CB 2.383 34.154 31.823 -0.087 0.000 0.995 96 V HN 0.414 nan 8.190 nan 0.000 0.429 97 V N 5.716 125.510 119.914 -0.200 0.000 2.326 97 V HA 0.810 4.930 4.120 -0.000 0.000 0.281 97 V C 0.643 176.748 176.094 0.019 0.000 1.015 97 V CA 0.145 62.392 62.300 -0.089 0.000 0.823 97 V CB 0.970 32.719 31.823 -0.123 0.000 1.009 97 V HN 1.324 nan 8.190 nan 0.000 0.436 98 A N 3.711 126.566 122.820 0.058 0.000 2.305 98 A HA 0.775 5.095 4.320 -0.000 0.000 0.322 98 A C 0.377 178.028 177.584 0.112 0.000 1.187 98 A CA -0.236 51.849 52.037 0.080 0.000 0.825 98 A CB 1.447 20.487 19.000 0.066 0.000 1.164 98 A HN 0.721 nan 8.150 nan 0.000 0.498 102 D N 1.639 122.031 120.400 -0.014 0.000 2.455 102 D HA 0.217 4.857 4.640 -0.000 0.000 0.241 102 D C -1.686 174.617 176.300 0.005 0.000 1.138 102 D CA -0.766 53.245 54.000 0.017 0.000 0.877 102 D CB 1.033 41.842 40.800 0.015 0.000 1.187 102 D HN 0.312 nan 8.370 nan 0.000 0.451 103 P HA 0.169 nan 4.420 nan 0.000 0.263 103 P C -0.612 176.662 177.300 -0.043 0.000 1.448 103 P CA 0.118 63.207 63.100 -0.019 0.000 0.983 103 P CB -0.275 31.409 31.700 -0.027 0.000 1.481 104 N N 1.223 119.906 118.700 -0.029 0.000 2.914 104 N HA 0.323 5.062 4.740 -0.000 0.000 0.304 104 N C -2.055 173.443 175.510 -0.020 0.000 1.727 104 N CA -0.868 52.159 53.050 -0.038 0.000 0.986 104 N CB -0.097 38.375 38.487 -0.026 0.000 1.297 104 N HN 0.150 nan 8.380 nan 0.000 0.490 105 P HA 0.303 nan 4.420 nan 0.000 0.307 105 P C 1.252 178.537 177.300 -0.025 0.000 1.371 105 P CA 1.021 64.105 63.100 -0.027 0.000 0.850 105 P CB -0.147 31.539 31.700 -0.023 0.000 2.144 106 Q N -0.674 119.112 119.800 -0.024 0.000 2.403 106 Q HA 0.372 4.712 4.340 -0.000 0.000 0.203 106 Q C 1.960 177.941 176.000 -0.031 0.000 0.932 106 Q CA 1.225 57.012 55.803 -0.027 0.000 0.945 106 Q CB -1.533 27.191 28.738 -0.024 0.000 1.045 106 Q HN 0.369 nan 8.270 nan 0.000 0.511 107 V N -1.163 118.735 119.914 -0.026 0.000 3.052 107 V HA 0.461 4.581 4.120 -0.000 0.000 0.254 107 V C 2.495 178.576 176.094 -0.023 0.000 1.100 107 V CA 1.721 64.006 62.300 -0.026 0.000 1.112 107 V CB -0.509 31.303 31.823 -0.019 0.000 0.738 107 V HN 0.574 nan 8.190 nan 0.000 0.469 108 A N 0.646 123.455 122.820 -0.019 0.000 2.067 108 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 108 A C 2.283 179.856 177.584 -0.019 0.000 1.156 108 A CA 1.216 53.246 52.037 -0.012 0.000 0.683 108 A CB -0.957 18.041 19.000 -0.005 0.000 0.808 108 A HN 1.056 nan 8.150 nan 0.000 0.455 109 G N -0.849 107.929 108.800 -0.036 0.000 2.663 109 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.212 109 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.212 109 G C 1.375 176.248 174.900 -0.046 0.000 1.142 109 G CA 1.363 46.428 45.100 -0.058 0.000 0.762 109 G HN 0.781 nan 8.290 nan 0.000 0.551 110 R N 0.209 120.701 120.500 -0.013 0.000 2.148 110 R HA 0.202 4.542 4.340 -0.000 0.000 0.223 110 R C 2.798 179.135 176.300 0.062 0.000 1.088 110 R CA 1.499 57.618 56.100 0.033 0.000 0.985 110 R CB -1.390 28.934 30.300 0.039 0.000 0.880 110 R HN 0.454 nan 8.270 nan 0.000 0.451 111 G N 1.640 110.454 108.800 0.024 0.000 2.679 111 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.222 111 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.222 111 G C 1.686 176.601 174.900 0.024 0.000 1.164 111 G CA 1.399 46.508 45.100 0.016 0.000 0.769 111 G HN 0.492 nan 8.290 nan 0.000 0.610 112 L N -1.522 119.716 121.223 0.025 0.000 2.056 112 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 112 L C 2.598 179.514 176.870 0.077 0.000 1.078 112 L CA 1.263 56.126 54.840 0.037 0.000 0.749 112 L CB -0.529 41.546 42.059 0.026 0.000 0.901 112 L HN 0.264 nan 8.230 nan 0.000 0.433 113 Y N 0.484 120.769 120.300 -0.025 0.000 2.274 113 Y HA -0.221 4.329 4.550 0.000 0.000 0.290 113 Y C 2.830 178.723 175.900 -0.013 0.000 1.145 113 Y CA 1.281 59.371 58.100 -0.015 0.000 1.203 113 Y CB -0.189 38.261 38.460 -0.017 0.000 0.984 113 Y HN -0.010 nan 8.280 nan 0.000 0.533 114 R N 0.463 120.982 120.500 0.030 0.000 2.083 114 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 114 R C 2.116 178.368 176.300 -0.079 0.000 1.137 114 R CA 1.916 57.996 56.100 -0.033 0.000 0.951 114 R CB -0.833 29.473 30.300 0.009 0.000 0.851 114 R HN 0.456 nan 8.270 nan 0.000 0.434 115 L N 0.096 121.286 121.223 -0.055 0.000 2.156 115 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 115 L C 2.725 179.544 176.870 -0.084 0.000 1.095 115 L CA 0.935 55.740 54.840 -0.058 0.000 0.770 115 L CB -0.374 41.663 42.059 -0.035 0.000 0.914 115 L HN 0.239 nan 8.230 nan 0.000 0.439 116 Q N -0.099 119.631 119.800 -0.115 0.000 2.119 116 Q HA -0.250 4.089 4.340 -0.000 0.000 0.201 116 Q C 2.213 178.104 176.000 -0.182 0.000 0.972 116 Q CA 1.310 57.032 55.803 -0.135 0.000 0.847 116 Q CB 0.140 28.799 28.738 -0.131 0.000 0.903 116 Q HN 0.407 nan 8.270 nan 0.000 0.433 117 Q N -0.335 119.308 119.800 -0.262 0.000 2.234 117 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 117 Q C 1.430 177.355 176.000 -0.124 0.000 0.980 117 Q CA 1.516 57.186 55.803 -0.221 0.000 0.869 117 Q CB -0.100 28.496 28.738 -0.238 0.000 0.912 117 Q HN 0.428 nan 8.270 nan 0.000 0.436 118 A N -1.022 121.737 122.820 -0.101 0.000 2.259 118 A HA 0.390 4.710 4.320 -0.000 0.000 0.208 118 A C 1.353 178.903 177.584 -0.057 0.000 1.201 118 A CA 0.680 52.677 52.037 -0.067 0.000 0.824 118 A CB -0.535 18.433 19.000 -0.055 0.000 0.838 118 A HN 0.420 nan 8.150 nan 0.000 0.485 119 G N -0.834 107.927 108.800 -0.065 0.000 2.143 119 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.249 119 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.249 119 G C 0.069 174.943 174.900 -0.044 0.000 0.981 119 G CA 0.256 45.326 45.100 -0.050 0.000 0.665 119 G HN 0.481 nan 8.290 nan 0.000 0.528 120 I N 0.968 121.508 120.570 -0.050 0.000 2.395 120 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 120 I C 0.412 176.505 176.117 -0.040 0.000 1.023 120 I CA -0.485 60.788 61.300 -0.045 0.000 1.350 120 I CB 1.080 39.052 38.000 -0.047 0.000 1.409 120 I HN 0.142 nan 8.210 nan 0.000 0.507 121 D N 6.641 127.019 120.400 -0.036 0.000 2.338 121 D HA 0.300 4.940 4.640 -0.000 0.000 0.255 121 D C -0.519 175.764 176.300 -0.027 0.000 1.237 121 D CA -0.235 53.749 54.000 -0.027 0.000 0.883 121 D CB 0.716 41.500 40.800 -0.027 0.000 1.087 121 D HN 0.272 nan 8.370 nan 0.000 0.485 122 V N 1.499 121.410 119.914 -0.006 0.000 2.769 122 V HA 0.909 5.029 4.120 -0.000 0.000 0.312 122 V C -0.218 175.901 176.094 0.041 0.000 1.058 122 V CA -0.704 61.603 62.300 0.012 0.000 0.952 122 V CB 1.712 33.551 31.823 0.028 0.000 1.019 122 V HN 0.576 nan 8.190 nan 0.000 0.445 123 S N 2.299 118.033 115.700 0.056 0.000 2.638 123 S HA 0.790 5.260 4.470 -0.000 0.000 0.274 123 S C -1.111 173.578 174.600 0.149 0.000 1.157 123 S CA -0.713 57.530 58.200 0.071 0.000 0.826 123 S CB 1.815 65.023 63.200 0.013 0.000 1.139 123 S HN 1.516 nan 8.310 nan 0.000 0.474 124 H N -2.149 116.932 119.070 0.019 0.000 3.064 124 H HA 0.660 5.216 4.556 -0.000 0.000 0.352 124 H C 0.189 175.532 175.328 0.025 0.000 1.260 124 H CA -0.430 55.632 56.048 0.023 0.000 1.160 124 H CB 1.148 30.923 29.762 0.021 0.000 1.879 124 H HN 1.404 nan 8.280 nan 0.000 0.544 125 G N 1.096 109.916 108.800 0.033 0.000 2.336 125 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.194 125 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.194 125 G C 0.104 175.008 174.900 0.005 0.000 0.999 125 G CA 0.002 45.092 45.100 -0.017 0.000 0.669 125 G HN 0.630 nan 8.290 nan 0.000 0.482 130 E N 2.304 122.499 120.200 -0.008 0.000 2.031 130 E HA 0.162 4.512 4.350 -0.000 0.000 0.193 130 E C 2.230 178.817 176.600 -0.021 0.000 0.994 130 E CA 1.614 58.002 56.400 -0.020 0.000 0.800 130 E CB -0.361 29.324 29.700 -0.025 0.000 0.752 130 E HN 0.588 nan 8.360 nan 0.000 0.447 131 A N 0.728 123.543 122.820 -0.008 0.000 1.978 131 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 131 A C 2.118 179.702 177.584 0.001 0.000 1.170 131 A CA 1.886 53.921 52.037 -0.003 0.000 0.636 131 A CB -0.489 18.521 19.000 0.016 0.000 0.810 131 A HN 0.191 nan 8.150 nan 0.000 0.448 132 E N -0.158 120.045 120.200 0.006 0.000 2.047 132 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 132 E C 2.121 178.711 176.600 -0.018 0.000 0.987 132 E CA 1.669 58.073 56.400 0.007 0.000 0.799 132 E CB -0.354 29.353 29.700 0.013 0.000 0.752 132 E HN 0.673 nan 8.360 nan 0.000 0.449 133 Q N -0.603 119.179 119.800 -0.030 0.000 2.291 133 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 133 Q C 1.983 177.938 176.000 -0.075 0.000 0.976 133 Q CA 0.823 56.593 55.803 -0.055 0.000 0.875 133 Q CB -0.071 28.639 28.738 -0.046 0.000 0.927 133 Q HN 0.293 nan 8.270 nan 0.000 0.450 134 L N 0.312 121.498 121.223 -0.061 0.000 2.217 134 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 134 L C 0.317 177.141 176.870 -0.077 0.000 1.107 134 L CA 1.417 56.211 54.840 -0.077 0.000 0.783 134 L CB 0.321 42.341 42.059 -0.065 0.000 0.919 134 L HN 0.073 nan 8.230 nan 0.000 0.442 135 N N -0.945 117.730 118.700 -0.041 0.000 2.598 135 N HA 0.083 4.823 4.740 -0.000 0.000 0.295 135 N C 0.638 176.164 175.510 0.028 0.000 1.729 135 N CA -0.028 53.032 53.050 0.016 0.000 0.877 135 N CB 0.584 39.122 38.487 0.085 0.000 1.405 135 N HN 0.226 nan 8.380 nan 0.000 0.491 136 K N 0.477 120.807 120.400 -0.118 0.000 2.034 136 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 136 K C 1.924 178.435 176.600 -0.148 0.000 1.051 136 K CA 2.002 58.127 56.287 -0.269 0.000 0.931 136 K CB -0.124 31.915 32.500 -0.767 0.000 0.715 136 K HN 0.253 nan 8.250 nan 0.000 0.446 137 G N 0.883 109.636 108.800 -0.079 0.000 2.480 137 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 137 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 137 G C 1.373 176.410 174.900 0.228 0.000 1.200 137 G CA 0.875 46.083 45.100 0.180 0.000 0.782 137 G HN 0.312 nan 8.290 nan 0.000 0.554 138 F N 1.444 121.461 119.950 0.112 0.000 2.095 138 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 138 F C 2.472 178.317 175.800 0.075 0.000 1.104 138 F CA 1.410 59.474 58.000 0.107 0.000 1.232 138 F CB -0.208 38.839 39.000 0.079 0.000 0.987 138 F HN 0.060 nan 8.300 nan 0.000 0.475 139 L N 0.266 121.536 121.223 0.078 0.000 2.093 139 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 139 L C 2.557 179.393 176.870 -0.058 0.000 1.085 139 L CA 1.768 56.586 54.840 -0.037 0.000 0.755 139 L CB -0.896 41.206 42.059 0.071 0.000 0.904 139 L HN 0.143 nan 8.230 nan 0.000 0.435 140 K N 0.843 121.261 120.400 0.031 0.000 2.057 140 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 140 K C 1.554 178.183 176.600 0.049 0.000 1.050 140 K CA 0.558 56.894 56.287 0.080 0.000 0.935 140 K CB 0.103 32.723 32.500 0.200 0.000 0.715 140 K HN 0.095 nan 8.250 nan 0.000 0.439 144 T N -1.587 112.994 114.554 0.045 0.000 2.890 144 T HA 0.422 4.772 4.350 -0.000 0.000 0.295 144 T C 0.786 175.580 174.700 0.157 0.000 0.993 144 T CA -0.176 61.999 62.100 0.124 0.000 0.979 144 T CB 1.933 70.895 68.868 0.157 0.000 0.967 144 T HN 0.278 nan 8.240 nan 0.000 0.441 145 G N 2.553 111.406 108.800 0.088 0.000 3.158 145 G HA2 0.167 4.127 3.960 -0.000 0.000 0.204 145 G HA3 0.167 4.127 3.960 -0.000 0.000 0.204 145 G C -0.219 174.605 174.900 -0.128 0.000 1.226 145 G CA -0.066 45.006 45.100 -0.046 0.000 1.039 145 G HN 0.676 nan 8.290 nan 0.000 0.496 146 F N -0.166 119.785 119.950 0.001 0.000 2.450 146 F HA 0.419 4.946 4.527 -0.000 0.000 0.332 146 F C -1.971 173.853 175.800 0.041 0.000 1.093 146 F CA -2.678 55.330 58.000 0.014 0.000 1.003 146 F CB 2.281 41.283 39.000 0.003 0.000 1.151 146 F HN -0.152 nan 8.300 nan 0.000 0.474 147 P HA -0.036 nan 4.420 nan 0.000 0.271 147 P C -1.169 176.273 177.300 0.236 0.000 1.218 147 P CA -0.072 63.149 63.100 0.201 0.000 0.780 147 P CB 0.292 32.073 31.700 0.135 0.000 0.901 148 Y N 3.155 123.527 120.300 0.120 0.000 2.496 148 Y HA 0.263 4.813 4.550 -0.000 0.000 0.334 148 Y C -0.071 175.888 175.900 0.098 0.000 1.080 148 Y CA 0.256 58.419 58.100 0.105 0.000 1.355 148 Y CB -0.050 38.479 38.460 0.115 0.000 1.193 148 Y HN 0.194 nan 8.280 nan 0.000 0.523 149 I N 6.986 127.425 120.570 -0.219 0.000 2.354 149 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 149 I C -0.725 175.263 176.117 -0.214 0.000 0.989 149 I CA -0.693 60.533 61.300 -0.124 0.000 1.188 149 I CB 1.536 39.479 38.000 -0.094 0.000 1.342 149 I HN 0.513 nan 8.210 nan 0.000 0.457 150 Q N 5.688 125.461 119.800 -0.046 0.000 2.348 150 Q HA 0.426 4.766 4.340 -0.000 0.000 0.265 150 Q C -1.153 174.680 176.000 -0.278 0.000 0.998 150 Q CA -0.910 54.854 55.803 -0.065 0.000 0.831 150 Q CB 2.831 31.689 28.738 0.199 0.000 1.251 150 Q HN 0.387 nan 8.270 nan 0.000 0.456 151 L N 4.080 125.119 121.223 -0.307 0.000 2.264 151 L HA 0.359 4.699 4.340 -0.000 0.000 0.289 151 L C -0.691 175.887 176.870 -0.487 0.000 1.044 151 L CA -0.310 54.303 54.840 -0.379 0.000 0.807 151 L CB 0.714 42.619 42.059 -0.257 0.000 1.192 151 L HN 0.400 nan 8.230 nan 0.000 0.425 152 K N 4.682 124.690 120.400 -0.653 0.000 2.110 152 K HA 0.756 5.076 4.320 -0.000 0.000 0.263 152 K C -1.603 174.821 176.600 -0.294 0.000 0.975 152 K CA -0.369 55.608 56.287 -0.516 0.000 0.895 152 K CB 1.341 33.442 32.500 -0.665 0.000 1.060 152 K HN 0.459 nan 8.250 nan 0.000 0.448 153 L N 1.765 122.880 121.223 -0.179 0.000 2.445 153 L HA 0.663 5.003 4.340 -0.000 0.000 0.262 153 L C -0.423 176.406 176.870 -0.070 0.000 0.974 153 L CA -0.290 54.460 54.840 -0.150 0.000 0.822 153 L CB 2.208 44.165 42.059 -0.171 0.000 1.339 153 L HN 0.967 nan 8.230 nan 0.000 0.409 154 G N 1.209 109.938 108.800 -0.119 0.000 2.666 154 G HA2 0.824 4.784 3.960 -0.000 0.000 0.303 154 G HA3 0.824 4.784 3.960 -0.000 0.000 0.303 154 G C -1.622 173.219 174.900 -0.098 0.000 1.412 154 G CA -0.213 44.818 45.100 -0.115 0.000 0.979 154 G HN 0.814 nan 8.290 nan 0.000 0.507 155 A N 1.690 124.479 122.820 -0.051 0.000 2.486 155 A HA 0.862 5.182 4.320 -0.000 0.000 0.300 155 A C 0.276 177.848 177.584 -0.020 0.000 1.048 155 A CA -0.222 51.790 52.037 -0.041 0.000 0.696 155 A CB 1.424 20.400 19.000 -0.041 0.000 1.278 155 A HN 1.722 nan 8.150 nan 0.000 0.405 156 S N 1.122 116.812 115.700 -0.017 0.000 2.634 156 S HA 0.450 4.920 4.470 -0.000 0.000 0.261 156 S C 1.106 175.702 174.600 -0.006 0.000 1.271 156 S CA -0.485 57.712 58.200 -0.005 0.000 0.985 156 S CB 0.167 63.366 63.200 -0.001 0.000 0.968 156 S HN 0.632 nan 8.310 nan 0.000 0.568 157 L N 0.387 121.610 121.223 -0.001 0.000 2.127 157 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 157 L C 1.347 178.214 176.870 -0.005 0.000 1.089 157 L CA 1.539 56.377 54.840 -0.003 0.000 0.757 157 L CB -0.841 41.218 42.059 0.001 0.000 0.899 157 L HN 0.798 nan 8.230 nan 0.000 0.434 158 D N -0.216 120.182 120.400 -0.003 0.000 2.690 158 D HA 0.120 4.760 4.640 -0.000 0.000 0.236 158 D C 1.342 177.637 176.300 -0.008 0.000 1.218 158 D CA 0.301 54.299 54.000 -0.004 0.000 0.829 158 D CB -0.138 40.661 40.800 -0.001 0.000 1.009 158 D HN 0.237 nan 8.370 nan 0.000 0.482 159 G N -0.881 107.911 108.800 -0.013 0.000 2.205 159 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.269 159 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.269 159 G C 0.769 175.655 174.900 -0.023 0.000 0.977 159 G CA 0.566 45.654 45.100 -0.020 0.000 0.652 159 G HN 0.891 nan 8.290 nan 0.000 0.539 160 R N 0.192 120.682 120.500 -0.017 0.000 2.438 160 R HA 0.707 5.047 4.340 -0.000 0.000 0.287 160 R C 0.747 177.032 176.300 -0.025 0.000 1.077 160 R CA 0.743 56.833 56.100 -0.017 0.000 1.034 160 R CB 0.233 30.529 30.300 -0.007 0.000 0.993 160 R HN 0.969 nan 8.270 nan 0.000 0.459 161 T N 1.522 116.058 114.554 -0.030 0.000 2.734 161 T HA 0.433 4.783 4.350 -0.000 0.000 0.269 161 T C 0.199 174.872 174.700 -0.045 0.000 0.964 161 T CA 0.794 62.865 62.100 -0.047 0.000 1.226 161 T CB -0.880 67.960 68.868 -0.046 0.000 0.910 161 T HN 0.969 nan 8.240 nan 0.000 0.534 168 S N 0.439 115.872 115.700 -0.445 0.000 2.648 168 S HA -0.070 4.400 4.470 -0.000 0.000 0.270 168 S C 1.062 175.227 174.600 -0.725 0.000 1.082 168 S CA -0.269 57.365 58.200 -0.944 0.000 1.116 168 S CB 0.373 63.266 63.200 -0.511 0.000 1.040 168 S HN 0.396 nan 8.310 nan 0.000 0.572 169 Q N 1.372 120.987 119.800 -0.309 0.000 2.336 169 Q HA 0.064 4.404 4.340 -0.000 0.000 0.231 169 Q C -0.737 175.291 176.000 0.047 0.000 0.900 169 Q CA -0.277 55.461 55.803 -0.109 0.000 0.966 169 Q CB -0.653 28.064 28.738 -0.036 0.000 1.219 169 Q HN 0.374 nan 8.270 nan 0.000 0.412 170 W N 1.221 122.517 121.300 -0.005 0.000 2.231 170 W HA -0.032 4.628 4.660 -0.000 0.000 0.341 170 W C 1.480 177.996 176.519 -0.005 0.000 1.298 170 W CA -1.327 56.013 57.345 -0.008 0.000 1.266 170 W CB 0.208 29.654 29.460 -0.022 0.000 1.172 170 W HN 0.366 nan 8.180 nan 0.000 0.568 171 I N 2.682 123.391 120.570 0.232 0.000 3.291 171 I HA -0.161 4.009 4.170 -0.000 0.000 0.279 171 I C 1.360 177.543 176.117 0.110 0.000 1.294 171 I CA 1.206 62.582 61.300 0.127 0.000 1.428 171 I CB -0.845 37.205 38.000 0.083 0.000 1.070 171 I HN 0.370 nan 8.210 nan 0.000 0.478 172 T N 0.476 115.115 114.554 0.141 0.000 5.270 172 T HA 0.104 4.454 4.350 -0.000 0.000 0.226 172 T C 0.773 175.546 174.700 0.120 0.000 0.799 172 T CA 0.507 62.671 62.100 0.107 0.000 2.020 172 T CB -0.600 68.304 68.868 0.060 0.000 1.350 172 T HN 0.531 nan 8.240 nan 0.000 0.268 173 S N -0.164 115.616 115.700 0.133 0.000 2.565 173 S HA 0.486 4.956 4.470 -0.000 0.000 0.269 173 S C -2.649 172.005 174.600 0.090 0.000 1.153 173 S CA -1.281 56.978 58.200 0.100 0.000 0.835 173 S CB 1.624 64.875 63.200 0.084 0.000 1.122 173 S HN 0.289 nan 8.310 nan 0.000 0.462 174 P HA -0.229 nan 4.420 nan 0.000 0.216 174 P C 1.260 178.581 177.300 0.036 0.000 1.167 174 P CA 1.804 64.919 63.100 0.025 0.000 0.914 174 P CB -0.136 31.571 31.700 0.011 0.000 0.793 175 Q N -0.439 119.390 119.800 0.048 0.000 2.152 175 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 175 Q C 2.361 178.408 176.000 0.078 0.000 0.985 175 Q CA 2.307 58.145 55.803 0.060 0.000 0.863 175 Q CB -1.253 27.529 28.738 0.074 0.000 0.904 175 Q HN 0.290 nan 8.270 nan 0.000 0.422 176 A N 0.347 123.215 122.820 0.079 0.000 1.968 176 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 176 A C 2.028 179.605 177.584 -0.012 0.000 1.169 176 A CA 1.238 53.289 52.037 0.023 0.000 0.638 176 A CB -0.383 18.601 19.000 -0.028 0.000 0.812 176 A HN 0.251 nan 8.150 nan 0.000 0.446 177 R N -0.145 120.412 120.500 0.094 0.000 2.075 177 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 177 R C 2.279 178.608 176.300 0.049 0.000 1.126 177 R CA 1.361 57.541 56.100 0.134 0.000 0.963 177 R CB -0.224 30.087 30.300 0.018 0.000 0.858 177 R HN 0.524 nan 8.270 nan 0.000 0.435 178 R N 0.083 120.597 120.500 0.022 0.000 2.096 178 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 178 R C 1.938 178.254 176.300 0.025 0.000 1.127 178 R CA 1.789 57.891 56.100 0.003 0.000 0.968 178 R CB -0.413 29.885 30.300 -0.003 0.000 0.861 178 R HN 0.333 nan 8.270 nan 0.000 0.440 179 D N 0.192 120.632 120.400 0.067 0.000 2.097 179 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 179 D C 1.832 178.189 176.300 0.095 0.000 0.984 179 D CA 1.002 55.075 54.000 0.122 0.000 0.826 179 D CB 0.194 41.142 40.800 0.246 0.000 0.973 179 D HN -0.081 nan 8.370 nan 0.000 0.460 180 V N 0.710 120.668 119.914 0.074 0.000 2.282 180 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 180 V C 2.521 178.542 176.094 -0.122 0.000 1.057 180 V CA 1.614 63.929 62.300 0.025 0.000 1.032 180 V CB -0.674 31.255 31.823 0.176 0.000 0.645 180 V HN 0.332 nan 8.190 nan 0.000 0.447 181 Q N -0.752 119.028 119.800 -0.033 0.000 2.077 181 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 181 Q C 2.285 178.252 176.000 -0.056 0.000 0.989 181 Q CA 1.839 57.612 55.803 -0.050 0.000 0.853 181 Q CB -0.734 27.982 28.738 -0.036 0.000 0.907 181 Q HN 0.569 nan 8.270 nan 0.000 0.418 182 L N 0.288 121.497 121.223 -0.023 0.000 2.012 182 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 182 L C 2.028 178.921 176.870 0.039 0.000 1.073 182 L CA 1.529 56.403 54.840 0.057 0.000 0.748 182 L CB -0.714 41.391 42.059 0.076 0.000 0.891 182 L HN 0.138 nan 8.230 nan 0.000 0.431 183 L N -0.614 120.514 121.223 -0.158 0.000 2.109 183 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 183 L C 2.711 179.226 176.870 -0.593 0.000 1.086 183 L CA 1.404 56.023 54.840 -0.368 0.000 0.760 183 L CB -1.102 40.605 42.059 -0.587 0.000 0.910 183 L HN 0.274 nan 8.230 nan 0.000 0.437 184 R N -0.578 119.472 120.500 -0.750 0.000 2.094 184 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 184 R C 2.178 178.411 176.300 -0.111 0.000 1.137 184 R CA 1.554 57.345 56.100 -0.515 0.000 0.943 184 R CB -0.613 29.502 30.300 -0.309 0.000 0.850 184 R HN 0.363 nan 8.270 nan 0.000 0.433 185 A N 1.638 124.477 122.820 0.032 0.000 2.032 185 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 185 A C 1.936 179.742 177.584 0.370 0.000 1.165 185 A CA 1.827 54.027 52.037 0.271 0.000 0.645 185 A CB -0.411 18.805 19.000 0.359 0.000 0.807 185 A HN 0.598 nan 8.150 nan 0.000 0.453 186 Q N -0.958 118.946 119.800 0.175 0.000 2.319 186 Q HA 0.233 4.572 4.340 -0.000 0.000 0.209 186 Q C 0.020 176.104 176.000 0.139 0.000 0.884 186 Q CA 0.201 56.029 55.803 0.041 0.000 0.938 186 Q CB 0.048 28.617 28.738 -0.281 0.000 1.098 186 Q HN 0.393 nan 8.270 nan 0.000 0.517 187 S N 1.503 117.256 115.700 0.089 0.000 2.549 187 S HA 0.017 4.487 4.470 -0.000 0.000 0.279 187 S C 0.467 175.022 174.600 -0.074 0.000 1.321 187 S CA -0.525 57.713 58.200 0.064 0.000 1.054 187 S CB 0.806 64.099 63.200 0.155 0.000 0.899 187 S HN 0.292 nan 8.310 nan 0.000 0.497 188 H N 2.028 120.758 119.070 -0.567 0.000 2.319 188 H HA 0.001 4.557 4.556 -0.000 0.000 0.297 188 H C 0.721 175.913 175.328 -0.227 0.000 1.097 188 H CA 1.668 57.375 56.048 -0.568 0.000 1.285 188 H CB -0.117 29.302 29.762 -0.571 0.000 1.368 188 H HN 0.735 nan 8.280 nan 0.000 0.495 189 A N -0.457 122.360 122.820 -0.004 0.000 2.527 189 A HA 0.624 4.943 4.320 -0.000 0.000 0.293 189 A C -0.929 176.674 177.584 0.032 0.000 1.117 189 A CA -0.638 51.350 52.037 -0.081 0.000 0.723 189 A CB 1.531 20.389 19.000 -0.237 0.000 1.313 189 A HN 0.156 nan 8.150 nan 0.000 0.411 190 I N 0.717 121.298 120.570 0.019 0.000 2.474 190 I HA 0.502 4.672 4.170 -0.000 0.000 0.294 190 I C -0.881 175.252 176.117 0.026 0.000 1.005 190 I CA -0.541 60.831 61.300 0.120 0.000 1.113 190 I CB 1.898 40.000 38.000 0.169 0.000 1.289 190 I HN 0.600 nan 8.210 nan 0.000 0.436 191 L N 5.524 126.768 121.223 0.036 0.000 2.362 191 L HA 0.706 5.046 4.340 -0.000 0.000 0.275 191 L C -0.455 176.407 176.870 -0.013 0.000 0.998 191 L CA 0.207 55.038 54.840 -0.014 0.000 0.820 191 L CB 1.975 44.023 42.059 -0.019 0.000 1.270 191 L HN 0.668 nan 8.230 nan 0.000 0.415 192 T N 1.436 115.976 114.554 -0.024 0.000 2.812 192 T HA 0.630 4.980 4.350 -0.000 0.000 0.294 192 T C -0.883 173.807 174.700 -0.016 0.000 1.159 192 T CA -0.152 61.941 62.100 -0.013 0.000 1.008 192 T CB 1.558 70.432 68.868 0.009 0.000 1.289 192 T HN 0.746 nan 8.240 nan 0.000 0.514 193 S N 0.448 116.147 115.700 -0.002 0.000 2.651 193 S HA 0.418 4.888 4.470 -0.000 0.000 0.291 193 S C 1.507 176.116 174.600 0.014 0.000 1.141 193 S CA 0.061 58.264 58.200 0.006 0.000 1.027 193 S CB 1.355 64.560 63.200 0.008 0.000 1.043 193 S HN 0.897 nan 8.310 nan 0.000 0.530 194 S N 1.392 117.108 115.700 0.026 0.000 2.419 194 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 194 S C 1.942 176.555 174.600 0.020 0.000 1.016 194 S CA 0.674 58.893 58.200 0.031 0.000 0.974 194 S CB -1.100 62.132 63.200 0.053 0.000 0.786 194 S HN 1.090 nan 8.310 nan 0.000 0.492 195 A N 1.800 124.633 122.820 0.023 0.000 1.933 195 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 195 A C 2.409 180.015 177.584 0.037 0.000 1.175 195 A CA 2.023 54.077 52.037 0.027 0.000 0.628 195 A CB -1.527 17.485 19.000 0.021 0.000 0.814 195 A HN 0.524 nan 8.150 nan 0.000 0.444 196 T N -0.469 114.107 114.554 0.037 0.000 2.812 196 T HA -0.079 4.271 4.350 -0.000 0.000 0.264 196 T C 1.907 176.647 174.700 0.068 0.000 1.042 196 T CA 1.462 63.594 62.100 0.053 0.000 1.140 196 T CB -0.336 68.561 68.868 0.049 0.000 0.870 196 T HN 0.161 nan 8.240 nan 0.000 0.445 197 V N 1.735 121.679 119.914 0.049 0.000 2.287 197 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 197 V C 2.472 178.608 176.094 0.069 0.000 1.053 197 V CA 1.548 63.877 62.300 0.049 0.000 1.027 197 V CB -0.693 31.125 31.823 -0.008 0.000 0.646 197 V HN 0.442 nan 8.190 nan 0.000 0.447 198 L N -0.181 121.065 121.223 0.040 0.000 2.093 198 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 198 L C 2.673 179.630 176.870 0.145 0.000 1.085 198 L CA 1.483 56.392 54.840 0.115 0.000 0.755 198 L CB -0.739 41.366 42.059 0.077 0.000 0.904 198 L HN 0.366 nan 8.230 nan 0.000 0.435 199 A N -0.159 122.723 122.820 0.102 0.000 1.855 199 A HA -0.150 4.170 4.320 -0.000 0.000 0.213 199 A C 1.853 179.498 177.584 0.101 0.000 1.195 199 A CA 1.666 53.758 52.037 0.092 0.000 0.610 199 A CB -0.293 18.751 19.000 0.073 0.000 0.837 199 A HN 0.334 nan 8.150 nan 0.000 0.444 200 D N -1.378 119.088 120.400 0.111 0.000 2.301 200 D HA 0.058 4.698 4.640 -0.000 0.000 0.206 200 D C -0.110 176.260 176.300 0.117 0.000 0.979 200 D CA 0.926 54.993 54.000 0.111 0.000 0.874 200 D CB -0.159 40.717 40.800 0.126 0.000 0.968 200 D HN 0.361 nan 8.370 nan 0.000 0.510 201 D N 0.706 121.201 120.400 0.158 0.000 2.697 201 D HA -0.112 4.528 4.640 -0.000 0.000 0.238 201 D C -2.438 173.945 176.300 0.139 0.000 1.152 201 D CA 0.130 54.248 54.000 0.197 0.000 0.666 201 D CB -0.310 40.585 40.800 0.157 0.000 1.037 201 D HN 0.175 nan 8.370 nan 0.000 0.423 202 P HA 0.389 nan 4.420 nan 0.000 0.278 202 P C 0.363 177.720 177.300 0.095 0.000 1.258 202 P CA -0.112 63.047 63.100 0.098 0.000 0.811 202 P CB 1.291 33.057 31.700 0.110 0.000 1.063 203 A N 1.567 124.429 122.820 0.070 0.000 2.021 203 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 203 A C 1.360 178.984 177.584 0.067 0.000 1.163 203 A CA 0.274 52.351 52.037 0.067 0.000 0.676 203 A CB -1.064 17.964 19.000 0.046 0.000 0.818 203 A HN 0.604 nan 8.150 nan 0.000 0.453 204 L N 0.569 121.837 121.223 0.075 0.000 3.737 204 L HA -0.211 4.129 4.340 -0.000 0.000 0.418 204 L C 0.418 177.330 176.870 0.070 0.000 1.216 204 L CA 0.497 55.389 54.840 0.086 0.000 0.915 204 L CB -2.664 39.443 42.059 0.079 0.000 1.834 204 L HN 0.690 nan 8.230 nan 0.000 0.943 205 T N -4.091 110.497 114.554 0.057 0.000 2.948 205 T HA 0.675 5.025 4.350 -0.000 0.000 0.285 205 T C 0.181 174.908 174.700 0.045 0.000 1.019 205 T CA -0.864 61.266 62.100 0.049 0.000 1.013 205 T CB 2.582 71.475 68.868 0.042 0.000 1.117 205 T HN -0.059 nan 8.240 nan 0.000 0.533 206 V N 2.088 122.033 119.914 0.051 0.000 2.461 206 V HA 0.331 4.451 4.120 -0.000 0.000 0.275 206 V C 0.563 176.683 176.094 0.044 0.000 1.047 206 V CA -0.618 61.711 62.300 0.049 0.000 0.955 206 V CB 0.373 32.250 31.823 0.090 0.000 0.988 206 V HN 0.721 nan 8.190 nan 0.000 0.471 207 R N 3.726 124.240 120.500 0.024 0.000 2.215 207 R HA 0.126 4.466 4.340 -0.000 0.000 0.336 207 R C 0.380 176.708 176.300 0.046 0.000 0.996 207 R CA -0.497 55.623 56.100 0.034 0.000 0.847 207 R CB 1.070 31.371 30.300 0.001 0.000 1.127 207 R HN 0.891 nan 8.270 nan 0.000 0.465 208 W N 3.558 124.788 121.300 -0.117 0.000 2.342 208 W HA -0.246 4.415 4.660 0.000 0.000 0.297 208 W C 2.048 178.495 176.519 -0.119 0.000 1.213 208 W CA 2.203 59.453 57.345 -0.158 0.000 1.251 208 W CB 0.100 29.432 29.460 -0.213 0.000 1.136 208 W HN 0.639 nan 8.180 nan 0.000 0.526 209 S N -0.497 115.237 115.700 0.056 0.000 2.400 209 S HA -0.285 4.185 4.470 -0.000 0.000 0.232 209 S C 1.618 176.105 174.600 -0.189 0.000 1.025 209 S CA 1.592 59.739 58.200 -0.088 0.000 0.993 209 S CB -0.685 62.533 63.200 0.031 0.000 0.808 209 S HN 0.515 nan 8.310 nan 0.000 0.478 210 E N 0.308 120.421 120.200 -0.146 0.000 2.516 210 E HA 0.190 4.540 4.350 -0.000 0.000 0.199 210 E C 0.037 176.531 176.600 -0.177 0.000 1.069 210 E CA -0.044 56.276 56.400 -0.132 0.000 0.876 210 E CB -0.118 29.529 29.700 -0.089 0.000 0.843 210 E HN 0.609 nan 8.360 nan 0.000 0.530 211 L N 0.938 121.981 121.223 -0.300 0.000 2.421 211 L HA 0.238 4.578 4.340 -0.000 0.000 0.263 211 L C 0.496 177.159 176.870 -0.345 0.000 1.122 211 L CA -0.892 53.748 54.840 -0.334 0.000 0.804 211 L CB 0.728 42.502 42.059 -0.474 0.000 1.150 211 L HN 0.094 nan 8.230 nan 0.000 0.457 212 D N -0.919 119.333 120.400 -0.246 0.000 2.494 212 D HA 0.033 4.673 4.640 -0.000 0.000 0.256 212 D C 0.985 177.170 176.300 -0.192 0.000 1.197 212 D CA -0.121 53.763 54.000 -0.193 0.000 1.096 212 D CB -0.200 40.537 40.800 -0.105 0.000 1.191 212 D HN 0.675 nan 8.370 nan 0.000 0.608 213 E N -0.260 119.873 120.200 -0.112 0.000 2.368 213 E HA -0.447 3.903 4.350 -0.000 0.000 0.222 213 E C 1.556 178.118 176.600 -0.065 0.000 1.099 213 E CA 2.025 58.382 56.400 -0.072 0.000 0.885 213 E CB -0.662 29.017 29.700 -0.035 0.000 0.754 213 E HN 0.575 nan 8.360 nan 0.000 0.466 214 Q N 0.516 120.267 119.800 -0.082 0.000 2.437 214 Q HA -0.076 4.264 4.340 -0.000 0.000 0.210 214 Q C 1.697 177.626 176.000 -0.119 0.000 0.972 214 Q CA 1.580 57.339 55.803 -0.073 0.000 0.903 214 Q CB -0.498 28.190 28.738 -0.084 0.000 0.967 214 Q HN 0.263 nan 8.270 nan 0.000 0.486 215 T N 1.539 115.951 114.554 -0.237 0.000 2.699 215 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 215 T C 2.132 176.887 174.700 0.091 0.000 1.036 215 T CA 2.797 64.732 62.100 -0.275 0.000 1.147 215 T CB -0.231 68.304 68.868 -0.555 0.000 0.862 215 T HN 0.752 nan 8.240 nan 0.000 0.446 216 Q N -0.048 119.774 119.800 0.036 0.000 2.398 216 Q HA 0.593 4.933 4.340 -0.000 0.000 0.204 216 Q C 1.914 177.966 176.000 0.087 0.000 0.932 216 Q CA 1.016 56.866 55.803 0.078 0.000 0.916 216 Q CB -0.583 28.177 28.738 0.037 0.000 1.024 216 Q HN 0.706 nan 8.270 nan 0.000 0.504 217 A N 0.432 123.299 122.820 0.078 0.000 3.447 217 A HA 0.519 4.839 4.320 -0.000 0.000 0.142 217 A C 1.210 178.865 177.584 0.117 0.000 1.271 217 A CA 0.477 52.560 52.037 0.076 0.000 1.067 217 A CB -0.840 18.201 19.000 0.070 0.000 1.324 217 A HN 0.990 nan 8.150 nan 0.000 0.654 218 L N -4.033 117.270 121.223 0.133 0.000 2.456 218 L HA 0.304 4.644 4.340 -0.000 0.000 0.246 218 L C -0.063 176.978 176.870 0.285 0.000 1.238 218 L CA 0.291 55.250 54.840 0.199 0.000 0.826 218 L CB -0.086 42.090 42.059 0.195 0.000 1.150 218 L HN 0.704 nan 8.230 nan 0.000 0.514 219 Y N -0.827 119.535 120.300 0.102 0.000 3.612 219 Y HA -0.106 4.444 4.550 -0.000 0.000 0.225 219 Y C -2.251 173.838 175.900 0.315 0.000 1.521 219 Y CA -0.161 58.018 58.100 0.131 0.000 1.743 219 Y CB -2.440 35.997 38.460 -0.038 0.000 1.583 219 Y HN 0.558 nan 8.280 nan 0.000 0.611 220 P HA -0.010 nan 4.420 nan 0.000 0.269 220 P C 0.991 177.978 177.300 -0.522 0.000 1.209 220 P CA 0.318 63.406 63.100 -0.020 0.000 0.776 220 P CB 0.774 32.444 31.700 -0.050 0.000 0.876 221 Q N 1.692 120.675 119.800 -1.362 0.000 2.217 221 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 221 Q C 1.922 177.441 176.000 -0.802 0.000 0.988 221 Q CA 1.748 56.499 55.803 -1.753 0.000 0.878 221 Q CB -0.067 27.627 28.738 -1.740 0.000 0.909 221 Q HN 0.496 nan 8.270 nan 0.000 0.424 222 Q N -0.548 118.950 119.800 -0.503 0.000 2.472 222 Q HA -0.091 4.249 4.340 -0.000 0.000 0.208 222 Q C 0.151 176.036 176.000 -0.192 0.000 0.958 222 Q CA 1.177 56.808 55.803 -0.287 0.000 0.932 222 Q CB 0.170 28.789 28.738 -0.198 0.000 1.007 222 Q HN 0.405 nan 8.270 nan 0.000 0.508 223 N N 0.347 118.930 118.700 -0.195 0.000 2.280 223 N HA 0.191 4.931 4.740 -0.000 0.000 0.192 223 N C -0.036 175.477 175.510 0.005 0.000 1.109 223 N CA -0.135 52.902 53.050 -0.021 0.000 0.855 223 N CB 0.434 39.002 38.487 0.134 0.000 0.974 223 N HN 0.163 nan 8.380 nan 0.000 0.482 224 L N 1.878 122.919 121.223 -0.305 0.000 2.667 224 L HA -0.049 4.291 4.340 -0.000 0.000 0.278 224 L C 0.434 177.331 176.870 0.045 0.000 1.217 224 L CA 0.540 55.186 54.840 -0.323 0.000 0.935 224 L CB 0.259 42.127 42.059 -0.319 0.000 1.193 224 L HN 0.201 nan 8.230 nan 0.000 0.493 225 R N 4.525 125.199 120.500 0.290 0.000 2.239 225 R HA 0.173 4.513 4.340 -0.000 0.000 0.332 225 R C -0.626 175.801 176.300 0.210 0.000 0.988 225 R CA -0.853 55.392 56.100 0.241 0.000 0.859 225 R CB 0.949 31.414 30.300 0.275 0.000 1.148 225 R HN 0.544 nan 8.270 nan 0.000 0.482 226 Q N 4.761 124.638 119.800 0.127 0.000 2.271 226 Q HA 0.176 4.516 4.340 -0.000 0.000 0.273 226 Q C -2.224 173.832 176.000 0.092 0.000 1.051 226 Q CA -1.678 54.184 55.803 0.099 0.000 0.901 226 Q CB 0.995 29.772 28.738 0.065 0.000 1.174 226 Q HN 0.417 nan 8.270 nan 0.000 0.385 227 P HA 0.030 nan 4.420 nan 0.000 0.268 227 P C -0.399 176.889 177.300 -0.020 0.000 1.205 227 P CA -0.074 63.062 63.100 0.060 0.000 0.771 227 P CB 0.468 32.206 31.700 0.064 0.000 0.858 228 I N 3.041 123.550 120.570 -0.102 0.000 2.668 228 I HA -0.053 4.117 4.170 -0.000 0.000 0.285 228 I C 1.243 177.162 176.117 -0.330 0.000 1.168 228 I CA 0.621 61.726 61.300 -0.325 0.000 1.424 228 I CB 0.088 37.682 38.000 -0.677 0.000 1.377 228 I HN 0.152 nan 8.210 nan 0.000 0.560 229 R N 7.049 127.376 120.500 -0.288 0.000 2.234 229 R HA 0.569 4.909 4.340 -0.000 0.000 0.324 229 R C -0.831 175.299 176.300 -0.284 0.000 1.054 229 R CA -0.312 55.661 56.100 -0.211 0.000 0.912 229 R CB 0.727 30.949 30.300 -0.129 0.000 1.030 229 R HN 0.523 nan 8.270 nan 0.000 0.455 230 I N 3.308 123.747 120.570 -0.218 0.000 2.433 230 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 230 I C -0.678 175.342 176.117 -0.162 0.000 1.001 230 I CA -1.036 60.161 61.300 -0.171 0.000 1.119 230 I CB 2.068 40.005 38.000 -0.104 0.000 1.289 230 I HN 0.211 nan 8.210 nan 0.000 0.438 231 V N 6.800 126.574 119.914 -0.234 0.000 2.588 231 V HA 0.441 4.561 4.120 -0.000 0.000 0.304 231 V C -0.082 175.968 176.094 -0.073 0.000 1.042 231 V CA -0.564 61.612 62.300 -0.207 0.000 0.877 231 V CB 2.182 33.747 31.823 -0.430 0.000 0.996 231 V HN 0.483 nan 8.190 nan 0.000 0.425 232 I N 5.464 126.030 120.570 -0.006 0.000 2.291 232 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 232 I C -0.753 175.404 176.117 0.068 0.000 1.064 232 I CA -0.039 61.284 61.300 0.038 0.000 1.269 232 I CB 0.662 38.678 38.000 0.027 0.000 1.418 232 I HN 0.724 nan 8.210 nan 0.000 0.485 233 D N 3.991 124.459 120.400 0.113 0.000 2.402 233 D HA 0.081 4.721 4.640 -0.000 0.000 0.252 233 D C 0.602 176.938 176.300 0.060 0.000 1.294 233 D CA -0.689 53.366 54.000 0.091 0.000 0.948 233 D CB 1.399 42.269 40.800 0.118 0.000 1.202 233 D HN 0.436 nan 8.370 nan 0.000 0.561 234 S N 2.061 117.779 115.700 0.031 0.000 2.481 234 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 234 S C 0.966 175.571 174.600 0.008 0.000 0.996 234 S CA 0.524 58.733 58.200 0.016 0.000 0.942 234 S CB -0.277 62.923 63.200 0.000 0.000 0.768 234 S HN 0.518 nan 8.310 nan 0.000 0.520 235 Q N 0.727 120.533 119.800 0.010 0.000 2.172 235 Q HA 0.281 4.621 4.340 -0.000 0.000 0.217 235 Q C -0.653 175.359 176.000 0.020 0.000 0.832 235 Q CA -0.455 55.354 55.803 0.009 0.000 1.010 235 Q CB 0.082 28.822 28.738 0.004 0.000 1.133 235 Q HN 0.377 nan 8.270 nan 0.000 0.489 236 N N 1.404 120.116 118.700 0.021 0.000 2.716 236 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 236 N C 0.233 175.773 175.510 0.050 0.000 1.033 236 N CA 0.830 53.891 53.050 0.017 0.000 0.727 236 N CB -0.723 37.773 38.487 0.014 0.000 0.950 236 N HN 0.423 nan 8.380 nan 0.000 0.541 237 R N -0.754 119.778 120.500 0.053 0.000 2.161 237 R HA 0.139 4.479 4.340 -0.000 0.000 0.213 237 R C 0.812 177.156 176.300 0.074 0.000 1.055 237 R CA 0.333 56.470 56.100 0.061 0.000 0.996 237 R CB 0.381 30.708 30.300 0.045 0.000 0.901 237 R HN 0.071 nan 8.270 nan 0.000 0.456 238 V N 1.199 121.156 119.914 0.072 0.000 2.963 238 V HA 0.028 4.147 4.120 -0.000 0.000 0.306 238 V C 0.547 176.795 176.094 0.257 0.000 1.077 238 V CA 0.423 62.753 62.300 0.050 0.000 1.124 238 V CB 1.496 33.445 31.823 0.210 0.000 0.987 238 V HN 0.186 nan 8.190 nan 0.000 0.487 239 T N 5.418 120.194 114.554 0.371 0.000 2.912 239 T HA 0.381 4.731 4.350 -0.000 0.000 0.288 239 T C -1.882 172.924 174.700 0.176 0.000 1.030 239 T CA -1.065 61.212 62.100 0.294 0.000 1.020 239 T CB 1.971 71.043 68.868 0.341 0.000 1.056 239 T HN 0.582 nan 8.240 nan 0.000 0.480 240 P HA 0.063 nan 4.420 nan 0.000 0.239 240 P C 0.809 178.071 177.300 -0.065 0.000 1.184 240 P CA 0.384 63.184 63.100 -0.499 0.000 0.760 240 P CB 0.277 31.360 31.700 -1.027 0.000 0.884 241 V N -1.461 118.452 119.914 -0.001 0.000 3.578 241 V HA 0.115 4.235 4.120 -0.000 0.000 0.290 241 V C 0.516 176.625 176.094 0.024 0.000 1.376 241 V CA -0.092 62.204 62.300 -0.007 0.000 1.083 241 V CB -0.958 30.822 31.823 -0.072 0.000 0.911 241 V HN 0.093 nan 8.190 nan 0.000 0.433 242 H N 0.045 119.177 119.070 0.104 0.000 2.815 242 H HA 0.198 4.754 4.556 -0.000 0.000 0.350 242 H C 1.481 176.889 175.328 0.134 0.000 1.080 242 H CA 0.468 56.595 56.048 0.131 0.000 1.433 242 H CB 0.663 30.540 29.762 0.191 0.000 1.432 242 H HN 0.116 nan 8.280 nan 0.000 0.592 243 R N 2.294 122.916 120.500 0.203 0.000 2.117 243 R HA -0.180 4.160 4.340 -0.000 0.000 0.243 243 R C 2.059 178.455 176.300 0.160 0.000 1.143 243 R CA 1.632 57.816 56.100 0.140 0.000 0.968 243 R CB -0.274 30.087 30.300 0.102 0.000 0.863 243 R HN 0.664 nan 8.270 nan 0.000 0.444 244 I N 1.232 121.919 120.570 0.195 0.000 2.423 244 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 244 I C 1.933 178.156 176.117 0.177 0.000 1.151 244 I CA 1.284 62.678 61.300 0.156 0.000 1.421 244 I CB 0.162 38.236 38.000 0.124 0.000 1.079 244 I HN 0.094 nan 8.210 nan 0.000 0.431 245 V N -1.287 118.784 119.914 0.261 0.000 3.506 245 V HA -0.054 4.066 4.120 -0.000 0.000 0.263 245 V C 1.692 177.916 176.094 0.218 0.000 1.203 245 V CA 0.871 63.352 62.300 0.301 0.000 1.133 245 V CB -0.534 31.590 31.823 0.501 0.000 0.802 245 V HN 0.637 nan 8.190 nan 0.000 0.459 246 Q N -0.323 119.577 119.800 0.167 0.000 2.246 246 Q HA 0.298 4.638 4.340 -0.000 0.000 0.202 246 Q C 0.207 176.263 176.000 0.093 0.000 0.883 246 Q CA -0.268 55.607 55.803 0.119 0.000 0.952 246 Q CB 0.034 28.827 28.738 0.092 0.000 1.078 246 Q HN 0.535 nan 8.270 nan 0.000 0.493 247 Q N 2.349 122.207 119.800 0.097 0.000 2.260 247 Q HA 0.353 4.693 4.340 -0.000 0.000 0.242 247 Q C -2.191 173.852 176.000 0.071 0.000 0.932 247 Q CA -2.357 53.490 55.803 0.073 0.000 0.891 247 Q CB 0.374 29.153 28.738 0.069 0.000 1.222 247 Q HN 0.136 nan 8.270 nan 0.000 0.453 248 P HA 0.205 nan 4.420 nan 0.000 0.267 248 P C 0.175 177.512 177.300 0.061 0.000 1.200 248 P CA 0.525 63.657 63.100 0.053 0.000 0.772 248 P CB 0.419 32.139 31.700 0.034 0.000 0.855 249 G N 1.863 110.706 108.800 0.072 0.000 2.655 249 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.680 249 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.680 249 G C -1.181 173.775 174.900 0.095 0.000 1.302 249 G CA -0.805 44.341 45.100 0.077 0.000 0.872 249 G HN 0.558 nan 8.290 nan 0.000 0.540 250 E N -0.533 119.722 120.200 0.093 0.000 2.277 250 E HA 0.580 4.930 4.350 -0.000 0.000 0.274 250 E C 0.149 176.790 176.600 0.067 0.000 1.022 250 E CA -0.074 56.420 56.400 0.157 0.000 0.853 250 E CB 1.793 31.676 29.700 0.305 0.000 1.086 250 E HN 0.703 nan 8.360 nan 0.000 0.397 251 T N 1.100 115.753 114.554 0.165 0.000 2.848 251 T HA 0.418 4.768 4.350 -0.000 0.000 0.285 251 T C -1.609 173.228 174.700 0.227 0.000 0.995 251 T CA -0.736 61.387 62.100 0.039 0.000 0.970 251 T CB 0.439 69.273 68.868 -0.056 0.000 0.976 251 T HN 0.338 nan 8.240 nan 0.000 0.441 252 W N 4.418 125.579 121.300 -0.231 0.000 2.475 252 W HA 0.601 5.261 4.660 -0.000 0.000 0.317 252 W C -1.066 175.266 176.519 -0.312 0.000 1.046 252 W CA -1.908 55.337 57.345 -0.166 0.000 1.215 252 W CB 0.466 29.865 29.460 -0.103 0.000 1.335 252 W HN 0.570 nan 8.180 nan 0.000 0.471 253 F N 2.365 122.338 119.950 0.038 0.000 2.404 253 F HA 0.537 5.064 4.527 -0.000 0.000 0.354 253 F C 0.781 176.559 175.800 -0.038 0.000 1.122 253 F CA -0.910 57.054 58.000 -0.060 0.000 1.080 253 F CB 1.056 39.917 39.000 -0.232 0.000 1.131 253 F HN 0.390 nan 8.300 nan 0.000 0.471 254 A N 6.273 129.171 122.820 0.129 0.000 2.343 254 A HA 0.608 4.928 4.320 -0.000 0.000 0.305 254 A C 0.016 177.648 177.584 0.080 0.000 1.308 254 A CA -0.582 51.505 52.037 0.084 0.000 0.949 254 A CB -0.020 19.019 19.000 0.064 0.000 1.148 254 A HN 0.832 nan 8.150 nan 0.000 0.545 255 R N 1.698 122.228 120.500 0.050 0.000 2.778 255 R HA 0.515 4.855 4.340 -0.000 0.000 0.277 255 R C 0.219 176.529 176.300 0.016 0.000 0.977 255 R CA -0.717 55.399 56.100 0.027 0.000 0.950 255 R CB 1.407 31.702 30.300 -0.008 0.000 1.165 255 R HN 0.530 nan 8.270 nan 0.000 0.474 256 T N 0.726 115.289 114.554 0.015 0.000 2.937 256 T HA -0.069 4.281 4.350 -0.000 0.000 0.260 256 T C 0.160 174.864 174.700 0.006 0.000 1.051 256 T CA 1.104 63.213 62.100 0.015 0.000 1.141 256 T CB 0.225 69.104 68.868 0.017 0.000 0.879 256 T HN 0.611 nan 8.240 nan 0.000 0.459 257 Q N 0.501 120.301 119.800 0.000 0.000 2.345 257 Q HA 0.436 4.776 4.340 -0.000 0.000 0.275 257 Q C -1.158 174.835 176.000 -0.012 0.000 1.063 257 Q CA -0.831 54.970 55.803 -0.003 0.000 0.819 257 Q CB 1.511 30.251 28.738 0.003 0.000 1.356 257 Q HN 0.077 nan 8.270 nan 0.000 0.418 258 E N 1.661 121.853 120.200 -0.013 0.000 2.608 258 E HA -0.108 4.242 4.350 -0.000 0.000 0.259 258 E C -0.818 175.779 176.600 -0.005 0.000 0.951 258 E CA 0.367 56.756 56.400 -0.018 0.000 0.945 258 E CB 0.526 30.221 29.700 -0.009 0.000 0.916 258 E HN 0.585 nan 8.360 nan 0.000 0.477 259 D N 1.548 121.938 120.400 -0.017 0.000 2.357 259 D HA 0.061 4.701 4.640 -0.000 0.000 0.242 259 D C -0.007 176.356 176.300 0.105 0.000 1.153 259 D CA 0.101 54.132 54.000 0.052 0.000 0.918 259 D CB 0.960 41.797 40.800 0.061 0.000 1.181 259 D HN 0.232 nan 8.370 nan 0.000 0.435 260 S N 0.710 116.486 115.700 0.127 0.000 2.559 260 S HA 0.192 4.662 4.470 -0.000 0.000 0.226 260 S C 0.527 175.187 174.600 0.099 0.000 1.000 260 S CA -0.333 57.924 58.200 0.095 0.000 0.948 260 S CB 0.322 63.552 63.200 0.051 0.000 0.870 260 S HN 0.333 nan 8.310 nan 0.000 0.497 261 R N 1.774 122.363 120.500 0.149 0.000 2.546 261 R HA 0.364 4.704 4.340 -0.000 0.000 0.266 261 R C -0.275 175.999 176.300 -0.044 0.000 1.086 261 R CA -0.314 55.762 56.100 -0.041 0.000 1.160 261 R CB 0.588 30.726 30.300 -0.269 0.000 1.138 261 R HN 0.266 nan 8.270 nan 0.000 0.567 262 E N 0.644 120.738 120.200 -0.178 0.000 2.259 262 E HA 0.051 4.401 4.350 -0.000 0.000 0.281 262 E C -1.101 175.329 176.600 -0.284 0.000 1.037 262 E CA 0.176 56.516 56.400 -0.100 0.000 0.854 262 E CB 0.690 30.344 29.700 -0.075 0.000 1.051 262 E HN 0.257 nan 8.360 nan 0.000 0.409 263 W N 2.732 124.034 121.300 0.004 0.000 2.781 263 W HA 0.359 5.019 4.660 -0.000 0.000 0.345 263 W C -1.944 174.603 176.519 0.047 0.000 1.085 263 W CA -1.976 55.383 57.345 0.025 0.000 1.198 263 W CB 0.137 29.609 29.460 0.021 0.000 1.423 263 W HN 0.405 nan 8.180 nan 0.000 0.532 264 P HA 0.016 nan 4.420 nan 0.000 0.268 264 P C 0.494 177.915 177.300 0.201 0.000 1.208 264 P CA 0.077 63.298 63.100 0.201 0.000 0.777 264 P CB 0.738 32.558 31.700 0.200 0.000 0.875 265 E N 0.099 120.385 120.200 0.143 0.000 2.219 265 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 265 E C 1.228 177.910 176.600 0.136 0.000 0.998 265 E CA 1.746 58.219 56.400 0.122 0.000 0.818 265 E CB -0.457 29.298 29.700 0.092 0.000 0.741 265 E HN 0.647 nan 8.360 nan 0.000 0.477 266 T N -1.818 112.832 114.554 0.160 0.000 3.148 266 T HA 0.116 4.466 4.350 -0.000 0.000 0.253 266 T C 0.626 175.461 174.700 0.225 0.000 1.134 266 T CA -0.194 62.012 62.100 0.177 0.000 1.051 266 T CB 0.071 69.037 68.868 0.164 0.000 0.959 266 T HN -0.183 nan 8.240 nan 0.000 0.525 267 V N 1.628 121.681 119.914 0.232 0.000 2.472 267 V HA 0.576 4.696 4.120 -0.000 0.000 0.290 267 V C 0.094 176.269 176.094 0.134 0.000 1.037 267 V CA -1.012 61.440 62.300 0.252 0.000 0.908 267 V CB 1.477 33.496 31.823 0.327 0.000 0.985 267 V HN 0.359 nan 8.190 nan 0.000 0.454 268 R N 1.528 122.088 120.500 0.100 0.000 2.837 268 R HA 0.714 5.054 4.340 -0.000 0.000 0.271 268 R C -0.600 175.667 176.300 -0.055 0.000 0.993 268 R CA -0.644 55.408 56.100 -0.080 0.000 0.931 268 R CB 2.301 32.387 30.300 -0.356 0.000 1.206 268 R HN 0.803 nan 8.270 nan 0.000 0.474 269 T N 0.149 114.633 114.554 -0.117 0.000 2.885 269 T HA 0.592 4.942 4.350 -0.000 0.000 0.285 269 T C -0.689 173.944 174.700 -0.112 0.000 1.019 269 T CA -0.750 61.303 62.100 -0.079 0.000 1.010 269 T CB 0.875 69.676 68.868 -0.111 0.000 1.022 269 T HN 0.304 nan 8.240 nan 0.000 0.466 270 L N 3.927 125.112 121.223 -0.063 0.000 2.319 270 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 270 L C -0.234 176.616 176.870 -0.033 0.000 1.005 270 L CA -0.928 53.869 54.840 -0.071 0.000 0.828 270 L CB 1.581 43.612 42.059 -0.047 0.000 1.227 270 L HN 0.549 nan 8.230 nan 0.000 0.415 271 L N 5.138 126.336 121.223 -0.042 0.000 2.369 271 L HA 0.334 4.674 4.340 -0.000 0.000 0.279 271 L C -0.427 176.434 176.870 -0.014 0.000 1.108 271 L CA -0.140 54.685 54.840 -0.024 0.000 0.852 271 L CB 0.580 42.622 42.059 -0.028 0.000 1.169 271 L HN 0.423 nan 8.230 nan 0.000 0.452 272 I N 5.701 126.272 120.570 0.002 0.000 2.418 272 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 272 I C -2.004 174.127 176.117 0.022 0.000 1.008 272 I CA -2.491 58.816 61.300 0.011 0.000 1.104 272 I CB 1.415 39.429 38.000 0.024 0.000 1.264 272 I HN 0.308 nan 8.210 nan 0.000 0.438 273 P HA 0.141 nan 4.420 nan 0.000 0.269 273 P C -0.255 177.083 177.300 0.063 0.000 1.215 273 P CA -0.109 63.013 63.100 0.037 0.000 0.780 273 P CB 1.019 32.739 31.700 0.032 0.000 0.898 274 E N 0.331 120.576 120.200 0.075 0.000 2.349 274 E HA 0.206 4.556 4.350 -0.000 0.000 0.265 274 E C -0.406 176.293 176.600 0.166 0.000 1.064 274 E CA -0.146 56.318 56.400 0.107 0.000 0.886 274 E CB 0.352 30.101 29.700 0.082 0.000 1.036 274 E HN 0.493 nan 8.360 nan 0.000 0.413 275 H N 0.727 119.828 119.070 0.053 0.000 2.658 275 H HA 0.264 4.820 4.556 -0.000 0.000 0.337 275 H C -0.834 174.513 175.328 0.032 0.000 1.009 275 H CA 0.023 56.090 56.048 0.032 0.000 1.231 275 H CB 0.716 30.491 29.762 0.022 0.000 1.508 275 H HN 0.532 nan 8.280 nan 0.000 0.517 276 K N 2.971 123.212 120.400 -0.264 0.000 4.116 276 K HA -0.076 4.244 4.320 -0.000 0.000 0.277 276 K C 1.373 177.961 176.600 -0.021 0.000 0.835 276 K CA 1.608 57.777 56.287 -0.197 0.000 0.740 276 K CB -2.733 29.567 32.500 -0.333 0.000 1.714 276 K HN 1.902 nan 8.250 nan 0.000 0.433 277 G N -0.875 107.967 108.800 0.069 0.000 2.284 277 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.261 277 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.261 277 G C 0.335 175.412 174.900 0.294 0.000 0.997 277 G CA 1.021 46.224 45.100 0.172 0.000 0.621 277 G HN 1.725 nan 8.290 nan 0.000 0.534 278 H N -0.942 118.137 119.070 0.014 0.000 2.616 278 H HA 0.671 5.227 4.556 -0.000 0.000 0.353 278 H C 0.429 175.788 175.328 0.053 0.000 1.170 278 H CA -0.861 55.207 56.048 0.032 0.000 1.212 278 H CB 1.304 31.087 29.762 0.035 0.000 1.653 278 H HN 0.337 nan 8.280 nan 0.000 0.537 279 L N 1.527 122.840 121.223 0.149 0.000 2.513 279 L HA 0.026 4.366 4.340 -0.000 0.000 0.272 279 L C 0.175 177.126 176.870 0.134 0.000 1.187 279 L CA -0.016 54.891 54.840 0.111 0.000 0.895 279 L CB 0.192 42.293 42.059 0.070 0.000 1.147 279 L HN 0.559 nan 8.230 nan 0.000 0.483 280 D N 5.127 125.597 120.400 0.115 0.000 2.348 280 D HA 0.033 4.673 4.640 -0.000 0.000 0.259 280 D C 1.117 177.457 176.300 0.067 0.000 1.296 280 D CA 0.146 54.204 54.000 0.096 0.000 0.931 280 D CB 0.761 41.594 40.800 0.056 0.000 1.067 280 D HN 0.605 nan 8.370 nan 0.000 0.503 281 L N 3.372 124.640 121.223 0.074 0.000 2.083 281 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 281 L C 2.497 179.417 176.870 0.084 0.000 1.083 281 L CA 0.504 55.385 54.840 0.069 0.000 0.752 281 L CB -0.266 41.831 42.059 0.063 0.000 0.899 281 L HN 0.301 nan 8.230 nan 0.000 0.433 282 V N -0.552 119.411 119.914 0.082 0.000 2.287 282 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 282 V C 2.417 178.592 176.094 0.136 0.000 1.053 282 V CA 1.744 64.137 62.300 0.155 0.000 1.027 282 V CB -0.434 31.444 31.823 0.092 0.000 0.646 282 V HN 0.227 nan 8.190 nan 0.000 0.447 283 V N -0.386 119.554 119.914 0.044 0.000 2.427 283 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 283 V C 1.442 177.526 176.094 -0.017 0.000 1.051 283 V CA 0.728 63.024 62.300 -0.006 0.000 1.048 283 V CB -0.527 31.287 31.823 -0.014 0.000 0.666 283 V HN 0.453 nan 8.190 nan 0.000 0.456 288 L N 0.152 121.371 121.223 -0.007 0.000 2.201 288 L HA 0.085 4.425 4.340 -0.000 0.000 0.212 288 L C 1.945 178.829 176.870 0.024 0.000 1.105 288 L CA 1.488 56.370 54.840 0.069 0.000 0.775 288 L CB -0.313 41.791 42.059 0.077 0.000 0.913 288 L HN 0.393 nan 8.230 nan 0.000 0.440 289 G N 0.298 109.062 108.800 -0.061 0.000 2.404 289 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 289 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 289 G C 1.664 176.541 174.900 -0.038 0.000 1.174 289 G CA 0.408 45.466 45.100 -0.070 0.000 0.780 289 G HN 0.293 nan 8.290 nan 0.000 0.537 290 K N -0.303 120.061 120.400 -0.060 0.000 2.147 290 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 290 K C 2.387 178.990 176.600 0.005 0.000 1.049 290 K CA 0.992 57.258 56.287 -0.036 0.000 0.936 290 K CB -0.031 32.435 32.500 -0.056 0.000 0.722 290 K HN 0.161 nan 8.250 nan 0.000 0.446 291 Q N 0.645 120.460 119.800 0.025 0.000 2.482 291 Q HA -0.019 4.321 4.340 -0.000 0.000 0.209 291 Q C -0.306 175.783 176.000 0.148 0.000 0.961 291 Q CA 0.625 56.475 55.803 0.080 0.000 0.945 291 Q CB 0.079 28.886 28.738 0.115 0.000 1.012 291 Q HN 0.174 nan 8.270 nan 0.000 0.515 292 Q N -1.122 118.744 119.800 0.109 0.000 2.466 292 Q HA -0.183 4.157 4.340 -0.000 0.000 0.248 292 Q C -0.707 175.378 176.000 0.142 0.000 0.791 292 Q CA 0.150 56.045 55.803 0.153 0.000 1.225 292 Q CB -1.370 27.494 28.738 0.210 0.000 1.418 292 Q HN 0.249 nan 8.270 nan 0.000 0.662 293 I N 1.518 122.086 120.570 -0.003 0.000 2.578 293 I HA -0.042 4.128 4.170 -0.000 0.000 0.286 293 I C 1.561 177.717 176.117 0.065 0.000 1.126 293 I CA 0.823 61.996 61.300 -0.210 0.000 1.380 293 I CB 0.103 37.972 38.000 -0.218 0.000 1.408 293 I HN 0.241 nan 8.210 nan 0.000 0.532 294 N N 3.481 122.356 118.700 0.292 0.000 2.171 294 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 294 N C 0.096 175.751 175.510 0.243 0.000 1.021 294 N CA 0.765 54.021 53.050 0.343 0.000 0.854 294 N CB 0.270 39.078 38.487 0.534 0.000 0.994 294 N HN 0.750 nan 8.380 nan 0.000 0.426 295 S N -0.379 115.419 115.700 0.163 0.000 2.537 295 S HA 0.562 5.032 4.470 -0.000 0.000 0.271 295 S C -1.310 173.367 174.600 0.129 0.000 1.148 295 S CA -0.948 57.367 58.200 0.192 0.000 0.868 295 S CB 1.695 65.031 63.200 0.227 0.000 1.115 295 S HN 0.032 nan 8.310 nan 0.000 0.461 296 I N 2.288 122.963 120.570 0.175 0.000 2.500 296 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 296 I C -1.116 175.127 176.117 0.211 0.000 1.063 296 I CA -0.385 60.996 61.300 0.136 0.000 1.062 296 I CB 1.637 39.675 38.000 0.064 0.000 1.223 296 I HN 0.782 nan 8.210 nan 0.000 0.435 297 W N 8.169 129.494 121.300 0.042 0.000 2.332 297 W HA 0.527 5.187 4.660 0.000 0.000 0.306 297 W C -1.487 175.050 176.519 0.030 0.000 1.149 297 W CA -0.544 56.834 57.345 0.055 0.000 1.271 297 W CB 1.348 30.853 29.460 0.075 0.000 1.243 297 W HN 0.138 nan 8.180 nan 0.000 0.459 298 V N 6.851 126.529 119.914 -0.393 0.000 2.364 298 V HA 0.177 4.297 4.120 -0.000 0.000 0.272 298 V C -0.018 175.851 176.094 -0.375 0.000 1.036 298 V CA -0.317 61.816 62.300 -0.278 0.000 0.880 298 V CB 1.234 32.928 31.823 -0.215 0.000 0.991 298 V HN 0.398 nan 8.190 nan 0.000 0.460 299 E N 4.212 124.326 120.200 -0.143 0.000 2.149 299 E HA 0.694 5.044 4.350 -0.000 0.000 0.255 299 E C -0.126 176.456 176.600 -0.030 0.000 0.888 299 E CA -0.162 56.198 56.400 -0.067 0.000 0.742 299 E CB 2.094 31.869 29.700 0.125 0.000 1.164 299 E HN 0.804 nan 8.360 nan 0.000 0.422 300 A N 2.235 125.015 122.820 -0.067 0.000 2.681 300 A HA 0.929 5.249 4.320 -0.000 0.000 0.278 300 A C -0.126 177.433 177.584 -0.041 0.000 1.272 300 A CA -0.340 51.673 52.037 -0.040 0.000 0.750 300 A CB 1.319 20.289 19.000 -0.050 0.000 1.351 300 A HN 0.479 nan 8.150 nan 0.000 0.514 301 G N -1.815 106.967 108.800 -0.029 0.000 2.644 301 G HA2 0.542 4.502 3.960 -0.000 0.000 0.307 301 G HA3 0.542 4.502 3.960 -0.000 0.000 0.307 301 G C -2.224 172.656 174.900 -0.034 0.000 1.250 301 G CA -1.354 43.728 45.100 -0.028 0.000 0.996 301 G HN 0.288 nan 8.290 nan 0.000 0.489 302 P HA -0.198 nan 4.420 nan 0.000 0.219 302 P C 2.106 179.394 177.300 -0.019 0.000 1.158 302 P CA 2.365 65.446 63.100 -0.030 0.000 0.895 302 P CB 0.050 31.738 31.700 -0.022 0.000 0.792 303 T N -0.233 114.317 114.554 -0.006 0.000 2.635 303 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 303 T C 1.723 176.427 174.700 0.007 0.000 1.040 303 T CA 1.095 63.199 62.100 0.007 0.000 1.156 303 T CB -0.944 67.933 68.868 0.015 0.000 0.863 303 T HN 0.061 nan 8.240 nan 0.000 0.430 304 L N 0.534 121.755 121.223 -0.002 0.000 2.109 304 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 304 L C 2.839 179.695 176.870 -0.023 0.000 1.086 304 L CA 1.444 56.281 54.840 -0.005 0.000 0.760 304 L CB -0.852 41.200 42.059 -0.012 0.000 0.910 304 L HN 0.298 nan 8.230 nan 0.000 0.437 305 A N -0.086 122.708 122.820 -0.043 0.000 1.940 305 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 305 A C 2.251 179.808 177.584 -0.044 0.000 1.176 305 A CA 1.801 53.799 52.037 -0.065 0.000 0.631 305 A CB -1.128 17.821 19.000 -0.085 0.000 0.814 305 A HN 0.519 nan 8.150 nan 0.000 0.446 306 G N -0.993 107.791 108.800 -0.026 0.000 2.408 306 G HA2 0.123 4.083 3.960 -0.000 0.000 0.215 306 G HA3 0.123 4.083 3.960 -0.000 0.000 0.215 306 G C 1.716 176.614 174.900 -0.003 0.000 1.156 306 G CA 1.182 46.273 45.100 -0.014 0.000 0.793 306 G HN 0.764 nan 8.290 nan 0.000 0.535 307 A N 0.721 123.546 122.820 0.008 0.000 1.902 307 A HA 0.109 4.428 4.320 -0.000 0.000 0.217 307 A C 2.416 180.005 177.584 0.009 0.000 1.181 307 A CA 1.174 53.224 52.037 0.021 0.000 0.623 307 A CB -0.417 18.613 19.000 0.051 0.000 0.818 307 A HN 0.338 nan 8.150 nan 0.000 0.443 308 L N -0.651 120.571 121.223 -0.001 0.000 2.012 308 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 308 L C 2.571 179.433 176.870 -0.013 0.000 1.073 308 L CA 1.215 56.049 54.840 -0.011 0.000 0.748 308 L CB -0.598 41.444 42.059 -0.027 0.000 0.891 308 L HN 0.365 nan 8.230 nan 0.000 0.431 309 L N -0.896 120.324 121.223 -0.005 0.000 2.046 309 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 309 L C 2.597 179.466 176.870 -0.001 0.000 1.077 309 L CA 1.314 56.166 54.840 0.019 0.000 0.747 309 L CB -0.384 41.694 42.059 0.032 0.000 0.896 309 L HN 0.329 nan 8.230 nan 0.000 0.432 310 Q N -0.806 118.989 119.800 -0.009 0.000 2.311 310 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 310 Q C 2.135 178.119 176.000 -0.027 0.000 0.954 310 Q CA 0.918 56.711 55.803 -0.018 0.000 0.885 310 Q CB 0.083 28.813 28.738 -0.014 0.000 0.963 310 Q HN 0.521 nan 8.270 nan 0.000 0.471 311 A N -0.386 122.419 122.820 -0.025 0.000 2.167 311 A HA 0.214 4.534 4.320 -0.000 0.000 0.214 311 A C 1.383 178.925 177.584 -0.069 0.000 1.151 311 A CA 0.808 52.825 52.037 -0.033 0.000 0.735 311 A CB -0.356 18.636 19.000 -0.013 0.000 0.802 311 A HN 0.434 nan 8.150 nan 0.000 0.467 312 G N -1.111 107.641 108.800 -0.080 0.000 2.198 312 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 312 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 312 G C 0.439 175.246 174.900 -0.156 0.000 1.042 312 G CA 0.488 45.512 45.100 -0.126 0.000 0.791 312 G HN 0.511 nan 8.290 nan 0.000 0.502 313 L N -0.803 120.352 121.223 -0.113 0.000 2.664 313 L HA 0.257 4.597 4.340 -0.000 0.000 0.233 313 L C 1.030 177.834 176.870 -0.110 0.000 1.113 313 L CA -0.100 54.667 54.840 -0.122 0.000 0.896 313 L CB 0.694 42.721 42.059 -0.054 0.000 1.163 313 L HN 0.138 nan 8.230 nan 0.000 0.497 314 V N 1.042 120.909 119.914 -0.078 0.000 2.432 314 V HA 0.043 4.163 4.120 -0.000 0.000 0.271 314 V C 0.620 176.664 176.094 -0.084 0.000 1.046 314 V CA -0.003 62.264 62.300 -0.054 0.000 0.945 314 V CB 1.226 33.086 31.823 0.061 0.000 0.992 314 V HN 0.201 nan 8.190 nan 0.000 0.471 315 D N 3.395 123.653 120.400 -0.238 0.000 2.216 315 D HA 0.041 4.681 4.640 -0.000 0.000 0.208 315 D C 0.700 176.906 176.300 -0.157 0.000 0.960 315 D CA 0.761 54.550 54.000 -0.352 0.000 0.861 315 D CB 0.834 41.063 40.800 -0.952 0.000 0.985 315 D HN 0.852 nan 8.370 nan 0.000 0.493 316 E N 0.114 120.228 120.200 -0.143 0.000 2.356 316 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 316 E C -1.274 175.274 176.600 -0.086 0.000 0.904 316 E CA -0.722 55.693 56.400 0.025 0.000 0.757 316 E CB 1.807 31.596 29.700 0.148 0.000 1.232 316 E HN -0.127 nan 8.360 nan 0.000 0.442 317 L N 2.637 123.740 121.223 -0.201 0.000 2.309 317 L HA 0.488 4.828 4.340 -0.000 0.000 0.282 317 L C -0.763 175.938 176.870 -0.282 0.000 1.036 317 L CA -1.146 53.486 54.840 -0.346 0.000 0.806 317 L CB 1.146 42.849 42.059 -0.593 0.000 1.220 317 L HN 0.575 nan 8.230 nan 0.000 0.429 318 I N 3.881 124.254 120.570 -0.328 0.000 2.390 318 I HA 0.263 4.433 4.170 -0.000 0.000 0.283 318 I C -0.394 175.463 176.117 -0.433 0.000 1.016 318 I CA -0.224 60.809 61.300 -0.446 0.000 1.151 318 I CB 1.662 39.469 38.000 -0.321 0.000 1.293 318 I HN 0.114 nan 8.210 nan 0.000 0.458 319 V N 7.019 126.665 119.914 -0.447 0.000 2.334 319 V HA 0.332 4.452 4.120 -0.000 0.000 0.281 319 V C -0.660 175.224 176.094 -0.351 0.000 1.016 319 V CA -0.783 61.337 62.300 -0.300 0.000 0.832 319 V CB 0.440 32.148 31.823 -0.192 0.000 0.999 319 V HN 0.389 nan 8.190 nan 0.000 0.439 320 Y N 5.202 125.431 120.300 -0.118 0.000 2.350 320 Y HA 0.583 5.133 4.550 -0.000 0.000 0.340 320 Y C 0.307 176.158 175.900 -0.082 0.000 1.006 320 Y CA -0.365 57.685 58.100 -0.084 0.000 1.166 320 Y CB 0.946 39.359 38.460 -0.078 0.000 1.168 320 Y HN 0.476 nan 8.280 nan 0.000 0.502 321 I N 3.233 123.837 120.570 0.056 0.000 2.441 321 I HA 0.632 4.802 4.170 -0.000 0.000 0.295 321 I C -0.148 175.994 176.117 0.042 0.000 0.994 321 I CA -0.898 60.416 61.300 0.024 0.000 1.144 321 I CB 1.647 39.639 38.000 -0.013 0.000 1.314 321 I HN 0.641 nan 8.210 nan 0.000 0.445 322 A N 7.433 130.273 122.820 0.033 0.000 2.303 322 A HA 0.681 5.001 4.320 -0.000 0.000 0.317 322 A C -2.142 175.459 177.584 0.029 0.000 1.149 322 A CA -1.544 50.517 52.037 0.039 0.000 0.822 322 A CB 0.336 19.358 19.000 0.037 0.000 1.131 322 A HN 0.560 nan 8.150 nan 0.000 0.493 323 P HA 0.154 nan 4.420 nan 0.000 0.249 323 P C -0.318 176.997 177.300 0.025 0.000 1.593 323 P CA 0.203 63.320 63.100 0.029 0.000 0.896 323 P CB -0.225 31.498 31.700 0.038 0.000 1.581 324 K N 0.172 120.586 120.400 0.024 0.000 2.098 324 K HA 0.474 4.794 4.320 -0.000 0.000 0.261 324 K C -0.350 176.259 176.600 0.015 0.000 0.987 324 K CA -0.607 55.692 56.287 0.021 0.000 0.916 324 K CB 0.679 33.193 32.500 0.024 0.000 1.039 324 K HN -0.082 nan 8.250 nan 0.000 0.455 325 L N 3.403 124.634 121.223 0.013 0.000 2.276 325 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 325 L C -0.972 175.904 176.870 0.010 0.000 1.024 325 L CA 0.120 54.965 54.840 0.010 0.000 0.826 325 L CB 0.726 42.790 42.059 0.009 0.000 1.211 325 L HN 0.393 nan 8.230 nan 0.000 0.422 326 L N 3.628 124.856 121.223 0.008 0.000 2.457 326 L HA 0.377 4.717 4.340 -0.000 0.000 0.252 326 L C 1.249 178.122 176.870 0.006 0.000 1.132 326 L CA -0.305 54.540 54.840 0.008 0.000 0.938 326 L CB 1.114 43.178 42.059 0.009 0.000 1.246 326 L HN 0.781 nan 8.230 nan 0.000 0.476 327 G N 1.285 110.089 108.800 0.006 0.000 2.637 327 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 327 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 327 G C 1.403 176.306 174.900 0.005 0.000 1.289 327 G CA 1.178 46.281 45.100 0.004 0.000 0.816 327 G HN 0.572 nan 8.290 nan 0.000 0.580 328 S N 0.102 115.805 115.700 0.006 0.000 2.528 328 S HA 0.080 4.550 4.470 -0.000 0.000 0.219 328 S C 1.492 176.097 174.600 0.008 0.000 0.985 328 S CA 1.119 59.323 58.200 0.007 0.000 0.914 328 S CB 0.071 63.275 63.200 0.007 0.000 0.776 328 S HN 0.306 nan 8.310 nan 0.000 0.526 329 D N 3.145 123.551 120.400 0.010 0.000 2.212 329 D HA 0.070 4.710 4.640 -0.000 0.000 0.197 329 D C 0.794 177.102 176.300 0.013 0.000 1.004 329 D CA 2.069 56.077 54.000 0.013 0.000 0.864 329 D CB -0.152 40.657 40.800 0.015 0.000 1.027 329 D HN 0.605 nan 8.370 nan 0.000 0.455 330 A N -1.077 121.750 122.820 0.011 0.000 2.943 330 A HA 0.728 5.048 4.320 -0.000 0.000 0.327 330 A C 0.122 177.707 177.584 0.002 0.000 1.141 330 A CA 0.280 52.323 52.037 0.010 0.000 0.773 330 A CB 0.053 19.062 19.000 0.015 0.000 1.143 330 A HN 0.449 nan 8.150 nan 0.000 0.463 331 R N -0.201 120.300 120.500 0.001 0.000 3.460 331 R HA 0.064 4.404 4.340 -0.000 0.000 0.622 331 R C 0.859 177.152 176.300 -0.011 0.000 0.241 331 R CA 1.733 57.831 56.100 -0.003 0.000 1.913 331 R CB -1.328 28.971 30.300 -0.002 0.000 0.884 331 R HN 2.563 nan 8.270 nan 0.000 0.616 332 G N -1.771 107.020 108.800 -0.014 0.000 2.552 332 G HA2 0.595 4.555 3.960 -0.000 0.000 0.324 332 G HA3 0.595 4.555 3.960 -0.000 0.000 0.324 332 G C 0.955 175.836 174.900 -0.031 0.000 1.217 332 G CA -0.155 44.932 45.100 -0.022 0.000 0.989 332 G HN 0.771 nan 8.290 nan 0.000 0.490 333 L N -0.630 120.568 121.223 -0.041 0.000 2.131 333 L HA 0.145 4.485 4.340 -0.000 0.000 0.206 333 L C 0.798 177.635 176.870 -0.055 0.000 1.087 333 L CA 1.107 55.913 54.840 -0.057 0.000 0.767 333 L CB -1.097 40.919 42.059 -0.073 0.000 0.917 333 L HN 0.526 nan 8.230 nan 0.000 0.441 334 C N -3.489 115.784 119.300 -0.044 0.000 2.971 334 C HA 0.527 4.987 4.460 -0.000 0.000 0.310 334 C C 1.690 176.667 174.990 -0.022 0.000 1.285 334 C CA -0.519 58.477 59.018 -0.037 0.000 1.593 334 C CB 1.364 29.079 27.740 -0.042 0.000 2.076 334 C HN 0.307 nan 8.230 nan 0.000 0.472 335 T N -0.252 114.294 114.554 -0.014 0.000 2.988 335 T HA 0.160 4.510 4.350 -0.000 0.000 0.240 335 T C 0.689 175.386 174.700 -0.005 0.000 1.014 335 T CA 0.573 62.670 62.100 -0.005 0.000 1.155 335 T CB -0.347 68.523 68.868 0.004 0.000 0.872 335 T HN 0.662 nan 8.240 nan 0.000 0.440 336 L N 2.128 123.348 121.223 -0.005 0.000 3.790 336 L HA -0.097 4.243 4.340 -0.000 0.000 0.602 336 L C -1.859 175.007 176.870 -0.006 0.000 1.172 336 L CA -0.028 54.808 54.840 -0.006 0.000 0.901 336 L CB -1.109 40.945 42.059 -0.008 0.000 1.342 336 L HN 0.420 nan 8.230 nan 0.000 0.820 337 P HA -0.060 nan 4.420 nan 0.000 0.231 337 P C 1.283 178.576 177.300 -0.012 0.000 1.158 337 P CA 1.234 64.329 63.100 -0.008 0.000 0.763 337 P CB 0.217 31.910 31.700 -0.010 0.000 0.805 347 Q N -0.949 118.594 119.800 -0.427 0.000 2.486 347 Q HA 0.829 5.169 4.340 -0.000 0.000 0.274 347 Q C -1.138 174.482 176.000 -0.634 0.000 1.076 347 Q CA -0.316 55.279 55.803 -0.346 0.000 0.872 347 Q CB 0.925 29.579 28.738 -0.140 0.000 1.383 347 Q HN 0.441 nan 8.270 nan 0.000 0.478 348 F N -0.397 119.465 119.950 -0.147 0.000 2.603 348 F HA 0.555 5.082 4.527 -0.000 0.000 0.317 348 F C -0.353 175.319 175.800 -0.213 0.000 1.066 348 F CA -0.924 56.962 58.000 -0.191 0.000 0.941 348 F CB 1.875 40.720 39.000 -0.259 0.000 1.291 348 F HN 0.294 nan 8.300 nan 0.000 0.472 349 K N 0.671 121.079 120.400 0.014 0.000 2.422 349 K HA 0.635 4.955 4.320 -0.000 0.000 0.251 349 K C -1.740 174.827 176.600 -0.055 0.000 0.933 349 K CA -0.654 55.606 56.287 -0.045 0.000 0.798 349 K CB 1.643 34.155 32.500 0.019 0.000 1.238 349 K HN 0.337 nan 8.250 nan 0.000 0.428 350 F N 2.359 122.351 119.950 0.069 0.000 2.484 350 F HA 0.201 4.728 4.527 -0.000 0.000 0.360 350 F C 1.278 177.111 175.800 0.054 0.000 1.101 350 F CA 0.080 58.111 58.000 0.051 0.000 1.251 350 F CB 0.709 39.724 39.000 0.025 0.000 1.132 350 F HN 0.518 nan 8.300 nan 0.000 0.570 351 K N 1.161 121.720 120.400 0.265 0.000 4.324 351 K HA 0.189 4.509 4.320 -0.000 0.000 0.228 351 K C -0.191 176.498 176.600 0.149 0.000 1.063 351 K CA -0.541 55.845 56.287 0.166 0.000 1.901 351 K CB -0.199 32.377 32.500 0.128 0.000 2.896 351 K HN 0.576 nan 8.250 nan 0.000 0.708 352 E N 1.647 121.900 120.200 0.088 0.000 2.392 352 E HA 0.122 4.472 4.350 -0.000 0.000 0.264 352 E C -0.470 176.204 176.600 0.125 0.000 1.024 352 E CA -0.053 56.376 56.400 0.048 0.000 0.903 352 E CB 0.353 30.004 29.700 -0.081 0.000 0.963 352 E HN 0.343 nan 8.360 nan 0.000 0.432 353 I N 1.281 121.886 120.570 0.058 0.000 2.608 353 I HA 0.665 4.835 4.170 -0.000 0.000 0.295 353 I C -0.743 175.378 176.117 0.005 0.000 1.049 353 I CA -0.972 60.340 61.300 0.020 0.000 1.063 353 I CB 1.920 39.867 38.000 -0.088 0.000 1.248 353 I HN 0.557 nan 8.210 nan 0.000 0.424 354 R N 2.401 122.891 120.500 -0.016 0.000 2.690 354 R HA 0.469 4.809 4.340 -0.000 0.000 0.269 354 R C -1.724 174.550 176.300 -0.045 0.000 1.037 354 R CA -0.991 55.117 56.100 0.012 0.000 0.877 354 R CB 1.038 31.386 30.300 0.081 0.000 1.255 354 R HN 0.750 nan 8.270 nan 0.000 0.467 355 H N -0.199 118.896 119.070 0.042 0.000 2.562 355 H HA 0.455 5.011 4.556 -0.000 0.000 0.352 355 H C -0.572 174.801 175.328 0.075 0.000 1.125 355 H CA 0.126 56.203 56.048 0.049 0.000 1.379 355 H CB 1.786 31.569 29.762 0.035 0.000 1.464 355 H HN 0.279 nan 8.280 nan 0.000 0.563 356 V N 3.652 123.691 119.914 0.209 0.000 2.538 356 V HA 0.358 4.478 4.120 -0.000 0.000 0.265 356 V C 0.851 177.042 176.094 0.161 0.000 0.977 356 V CA 0.201 62.613 62.300 0.187 0.000 0.852 356 V CB 0.544 32.510 31.823 0.239 0.000 1.058 356 V HN 1.222 nan 8.190 nan 0.000 0.462 357 G N 6.593 115.472 108.800 0.131 0.000 2.591 357 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.298 357 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.298 357 G C -0.936 174.034 174.900 0.117 0.000 1.195 357 G CA 0.519 45.678 45.100 0.099 0.000 0.989 357 G HN 0.584 nan 8.290 nan 0.000 0.551 358 P HA 0.271 nan 4.420 nan 0.000 0.255 358 P C -0.378 176.992 177.300 0.117 0.000 1.248 358 P CA 0.606 63.769 63.100 0.105 0.000 0.807 358 P CB 0.240 31.983 31.700 0.073 0.000 1.150 359 D N 0.398 120.874 120.400 0.126 0.000 2.326 359 D HA 0.311 4.951 4.640 -0.000 0.000 0.251 359 D C 0.087 176.439 176.300 0.086 0.000 1.023 359 D CA -0.521 53.547 54.000 0.113 0.000 0.966 359 D CB 2.229 43.118 40.800 0.148 0.000 1.156 359 D HN -0.128 nan 8.370 nan 0.000 0.494 360 V N -2.233 117.692 119.914 0.018 0.000 2.715 360 V HA 0.620 4.740 4.120 -0.000 0.000 0.310 360 V C -0.545 175.514 176.094 -0.059 0.000 1.054 360 V CA -0.863 61.384 62.300 -0.089 0.000 0.928 360 V CB 1.582 33.283 31.823 -0.203 0.000 1.007 360 V HN 0.677 nan 8.190 nan 0.000 0.437 361 C N 6.019 125.253 119.300 -0.111 0.000 2.340 361 C HA 0.758 5.218 4.460 -0.000 0.000 0.323 361 C C -0.481 174.390 174.990 -0.199 0.000 1.260 361 C CA -0.486 58.364 59.018 -0.280 0.000 1.464 361 C CB -0.359 27.164 27.740 -0.362 0.000 2.156 361 C HN 0.972 nan 8.230 nan 0.000 0.476 362 L N 7.367 128.450 121.223 -0.234 0.000 2.305 362 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 362 L C 0.011 176.826 176.870 -0.093 0.000 1.013 362 L CA -0.379 54.431 54.840 -0.049 0.000 0.819 362 L CB 0.908 43.002 42.059 0.059 0.000 1.227 362 L HN 0.642 nan 8.230 nan 0.000 0.417 363 H N 4.464 123.554 119.070 0.035 0.000 2.489 363 H HA 0.583 5.139 4.556 -0.000 0.000 0.322 363 H C -0.788 174.576 175.328 0.061 0.000 1.091 363 H CA -0.465 55.597 56.048 0.023 0.000 1.291 363 H CB 2.332 32.120 29.762 0.043 0.000 1.436 363 H HN 0.333 nan 8.280 nan 0.000 0.480 364 L N 2.528 123.784 121.223 0.054 0.000 2.371 364 L HA 0.455 4.795 4.340 -0.000 0.000 0.262 364 L C -0.357 176.582 176.870 0.114 0.000 1.006 364 L CA -0.766 54.067 54.840 -0.011 0.000 0.818 364 L CB 2.295 44.167 42.059 -0.312 0.000 1.354 364 L HN 0.274 nan 8.230 nan 0.000 0.415 365 V N 0.237 120.272 119.914 0.201 0.000 2.823 365 V HA 0.472 4.591 4.120 -0.000 0.000 0.312 365 V C 0.939 177.151 176.094 0.197 0.000 1.072 365 V CA 0.008 62.440 62.300 0.219 0.000 0.937 365 V CB 1.966 33.879 31.823 0.150 0.000 1.013 365 V HN 0.860 nan 8.190 nan 0.000 0.430 366 G N 2.665 111.479 108.800 0.023 0.000 2.553 366 G HA2 0.139 4.099 3.960 -0.000 0.000 0.218 366 G HA3 0.139 4.099 3.960 -0.000 0.000 0.218 366 G C 0.425 175.199 174.900 -0.210 0.000 1.195 366 G CA 1.434 46.355 45.100 -0.299 0.000 0.779 366 G HN 1.313 nan 8.290 nan 0.000 0.577 367 A N 0.000 122.767 122.820 -0.088 0.000 2.254 367 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 367 A CA 0.000 52.001 52.037 -0.060 0.000 0.836 367 A CB 0.000 18.952 19.000 -0.081 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486