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 1q9h_1_A DATA FIRST_RESID 2 DATA SEQUENCE QAGTATAENH PPLTWQEcTA PGScTTQNGA VVLDANWRWV HDVNGYTNcY DATA SEQUENCE TGNTWDPTYc PDDETcAQNc ALDGADYEGT YGVTSSGSSL KLNFVTGSNV DATA SEQUENCE GSRLYLLQDD STYQIFKLLN REFSFDVDVS NLPcGLNGAL YFVAMDADGG DATA SEQUENCE VSKYPNNKAG AKYGTGYcDS QcPRDLKFID GEANVEGWQP SXXXXXTGIG DATA SEQUENCE DHGSccAEMD VWEANSISNA VTPHPcDTPG QTMcSGDDcG GTYSNDRYAG DATA SEQUENCE TcDPDGcDFN PYRMGNTSFY GPGKIIDTTK PFTVVTQFLT DDGTDTGTLS DATA SEQUENCE EIKRFYIQNS NVIPQPNSDI SGVTGNSITT EFcTAQKQAF GDTDDFSQHG DATA SEQUENCE GLAKMGAAMQ QGMVLVMSLW DDYAAQMLWL DSDYPTDADP TTPGIARGTc DATA SEQUENCE PTDSGVPSDV ESQSPNSYVT YSNIKFGPIN STFT 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.724 176.000 -0.460 0.000 1.003 2 Q CA 0.000 55.599 55.803 -0.341 0.000 1.022 2 Q CB 0.000 28.570 28.738 -0.280 0.000 1.108 3 A N 0.539 123.104 122.820 -0.425 0.000 2.362 3 A HA 0.695 5.015 4.320 0.000 0.000 0.276 3 A C 0.594 177.920 177.584 -0.431 0.000 1.153 3 A CA 0.589 52.246 52.037 -0.634 0.000 0.813 3 A CB 0.208 18.993 19.000 -0.358 0.000 1.081 3 A HN 0.597 nan 8.150 nan 0.000 0.507 4 G N 0.368 108.895 108.800 -0.454 0.000 2.537 4 G HA2 0.430 4.391 3.960 0.000 0.000 0.273 4 G HA3 0.430 4.391 3.960 0.000 0.000 0.273 4 G C 0.754 175.726 174.900 0.120 0.000 1.189 4 G CA 0.417 45.441 45.100 -0.126 0.000 0.881 4 G HN 1.153 nan 8.290 nan 0.000 0.535 5 T N -3.335 111.366 114.554 0.246 0.000 2.986 5 T HA 0.380 4.730 4.350 0.000 0.000 0.264 5 T C 2.144 176.937 174.700 0.155 0.000 0.964 5 T CA 1.094 63.296 62.100 0.171 0.000 0.895 5 T CB 0.349 69.285 68.868 0.113 0.000 1.163 5 T HN 0.650 nan 8.240 nan 0.000 0.517 6 A N 2.193 125.111 122.820 0.163 0.000 1.858 6 A HA 0.186 4.506 4.320 0.000 0.000 0.216 6 A C 1.366 179.040 177.584 0.148 0.000 1.190 6 A CA 1.172 53.276 52.037 0.110 0.000 0.617 6 A CB -0.852 18.233 19.000 0.141 0.000 0.827 6 A HN 0.507 nan 8.150 nan 0.000 0.443 7 T N 0.087 114.772 114.554 0.218 0.000 2.807 7 T HA 0.621 4.971 4.350 0.000 0.000 0.279 7 T C -0.103 174.714 174.700 0.196 0.000 0.993 7 T CA 0.018 62.232 62.100 0.190 0.000 0.970 7 T CB 1.527 70.525 68.868 0.217 0.000 0.950 7 T HN 0.569 nan 8.240 nan 0.000 0.441 8 A N 2.280 125.185 122.820 0.142 0.000 2.351 8 A HA 0.572 4.892 4.320 0.000 0.000 0.257 8 A C 0.201 177.850 177.584 0.109 0.000 1.087 8 A CA -0.432 51.678 52.037 0.121 0.000 0.798 8 A CB 0.236 19.280 19.000 0.073 0.000 1.033 8 A HN 0.725 nan 8.150 nan 0.000 0.488 9 E N 1.578 121.804 120.200 0.042 0.000 2.081 9 E HA 0.288 4.638 4.350 0.000 0.000 0.276 9 E C -1.213 175.268 176.600 -0.199 0.000 0.950 9 E CA -0.262 56.098 56.400 -0.066 0.000 0.776 9 E CB 0.278 29.785 29.700 -0.323 0.000 1.094 9 E HN 0.532 nan 8.360 nan 0.000 0.402 10 N N 3.883 122.526 118.700 -0.095 0.000 2.442 10 N HA 0.185 4.925 4.740 0.000 0.000 0.274 10 N C -1.155 174.236 175.510 -0.199 0.000 1.002 10 N CA -0.540 52.405 53.050 -0.176 0.000 0.910 10 N CB 0.986 39.443 38.487 -0.049 0.000 1.244 10 N HN 0.546 nan 8.380 nan 0.000 0.492 11 H N 1.405 120.375 119.070 -0.167 0.000 2.742 11 H HA 0.230 4.786 4.556 0.000 0.000 0.302 11 H C -1.917 173.221 175.328 -0.317 0.000 1.069 11 H CA -1.545 54.315 56.048 -0.314 0.000 1.446 11 H CB 0.602 30.260 29.762 -0.173 0.000 1.462 11 H HN 0.237 nan 8.280 nan 0.000 0.499 12 P HA -0.005 nan 4.420 nan 0.000 0.268 12 P C -2.457 174.788 177.300 -0.091 0.000 1.204 12 P CA -1.051 61.920 63.100 -0.214 0.000 0.768 12 P CB 0.316 31.852 31.700 -0.274 0.000 0.842 13 P HA 0.252 nan 4.420 nan 0.000 0.278 13 P C -1.140 176.179 177.300 0.032 0.000 1.238 13 P CA -0.115 62.992 63.100 0.010 0.000 0.794 13 P CB 0.723 32.431 31.700 0.014 0.000 0.955 14 L N 2.270 123.538 121.223 0.075 0.000 2.580 14 L HA 0.373 4.713 4.340 0.000 0.000 0.266 14 L C -0.307 176.680 176.870 0.196 0.000 0.955 14 L CA -0.069 54.840 54.840 0.116 0.000 0.886 14 L CB 1.688 43.812 42.059 0.108 0.000 1.263 14 L HN 0.500 nan 8.230 nan 0.000 0.406 15 T N 1.597 116.251 114.554 0.166 0.000 2.913 15 T HA 0.730 5.080 4.350 0.000 0.000 0.287 15 T C -0.421 174.462 174.700 0.305 0.000 1.008 15 T CA -0.440 61.761 62.100 0.168 0.000 1.067 15 T CB 1.022 69.926 68.868 0.060 0.000 0.996 15 T HN 0.699 nan 8.240 nan 0.000 0.513 16 W N 0.294 121.637 121.300 0.072 0.000 3.003 16 W HA 0.589 5.249 4.660 0.000 0.000 0.362 16 W C -1.701 174.875 176.519 0.095 0.000 1.213 16 W CA -1.174 56.226 57.345 0.091 0.000 1.157 16 W CB 1.024 30.565 29.460 0.136 0.000 1.493 16 W HN 0.636 nan 8.180 nan 0.000 0.589 17 Q N 1.236 121.166 119.800 0.217 0.000 2.323 17 Q HA 0.285 4.626 4.340 0.000 0.000 0.271 17 Q C -1.318 174.777 176.000 0.157 0.000 1.048 17 Q CA -0.669 55.137 55.803 0.006 0.000 0.792 17 Q CB 3.581 32.356 28.738 0.061 0.000 1.280 17 Q HN 0.499 nan 8.270 nan 0.000 0.441 18 E N 1.518 121.700 120.200 -0.029 0.000 2.175 18 E HA 0.392 4.742 4.350 0.000 0.000 0.278 18 E C -1.236 175.410 176.600 0.076 0.000 0.969 18 E CA -0.459 56.040 56.400 0.164 0.000 0.796 18 E CB 0.866 30.631 29.700 0.108 0.000 1.104 18 E HN 0.590 nan 8.360 nan 0.000 0.395 19 c N 2.538 121.189 118.600 0.084 0.000 2.493 19 c HA 0.408 4.978 4.570 0.000 0.000 0.326 19 c C 1.443 175.531 174.090 -0.003 0.000 1.200 19 c CA -0.431 55.914 56.329 0.027 0.000 1.739 19 c CB 1.272 43.799 42.510 0.028 0.000 2.300 19 c HN 0.949 nan 8.230 nan 0.000 0.500 20 T N -1.717 112.830 114.554 -0.012 0.000 2.990 20 T HA 0.531 4.881 4.350 0.000 0.000 0.249 20 T C 0.289 174.972 174.700 -0.030 0.000 1.039 20 T CA 0.680 62.767 62.100 -0.021 0.000 1.036 20 T CB 0.229 69.087 68.868 -0.016 0.000 0.994 20 T HN 1.308 nan 8.240 nan 0.000 0.489 21 A N 1.229 124.031 122.820 -0.031 0.000 2.566 21 A HA 0.692 5.013 4.320 0.000 0.000 0.290 21 A C -3.238 174.318 177.584 -0.047 0.000 1.071 21 A CA -1.632 50.379 52.037 -0.044 0.000 0.658 21 A CB 0.295 19.270 19.000 -0.042 0.000 1.285 21 A HN 0.036 nan 8.150 nan 0.000 0.427 22 P HA 0.326 nan 4.420 nan 0.000 0.264 22 P C 1.049 178.320 177.300 -0.048 0.000 1.193 22 P CA 2.085 65.139 63.100 -0.076 0.000 0.763 22 P CB 0.550 32.175 31.700 -0.126 0.000 0.810 23 G N 2.087 110.869 108.800 -0.030 0.000 2.189 23 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 23 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 23 G C 0.423 175.313 174.900 -0.016 0.000 0.975 23 G CA 0.411 45.499 45.100 -0.019 0.000 0.644 23 G HN 0.759 nan 8.290 nan 0.000 0.537 24 S N -0.035 115.654 115.700 -0.017 0.000 2.150 24 S HA 0.589 5.059 4.470 0.000 0.000 0.171 24 S C 0.187 174.780 174.600 -0.011 0.000 1.620 24 S CA 0.059 58.249 58.200 -0.016 0.000 1.190 24 S CB -0.483 62.705 63.200 -0.020 0.000 1.102 24 S HN 0.628 nan 8.310 nan 0.000 0.464 25 c N 1.944 120.539 118.600 -0.009 0.000 2.529 25 c HA 0.783 5.353 4.570 0.000 0.000 0.329 25 c C 0.362 174.436 174.090 -0.027 0.000 1.194 25 c CA -0.623 55.702 56.329 -0.008 0.000 1.779 25 c CB 1.540 44.056 42.510 0.010 0.000 2.322 25 c HN 0.619 nan 8.230 nan 0.000 0.500 26 T N 1.727 116.252 114.554 -0.049 0.000 2.792 26 T HA 0.510 4.860 4.350 0.000 0.000 0.280 26 T C 0.067 174.681 174.700 -0.144 0.000 0.990 26 T CA -0.138 61.913 62.100 -0.081 0.000 0.960 26 T CB 1.246 70.065 68.868 -0.081 0.000 0.939 26 T HN 0.883 nan 8.240 nan 0.000 0.439 27 T N 2.685 117.156 114.554 -0.137 0.000 2.869 27 T HA 0.432 4.782 4.350 0.000 0.000 0.295 27 T C -0.352 174.175 174.700 -0.287 0.000 0.987 27 T CA -0.916 61.069 62.100 -0.191 0.000 1.109 27 T CB 0.709 69.513 68.868 -0.107 0.000 0.932 27 T HN 0.325 nan 8.240 nan 0.000 0.518 28 Q N 2.606 122.103 119.800 -0.505 0.000 2.309 28 Q HA 0.360 4.700 4.340 0.000 0.000 0.264 28 Q C -0.486 175.331 176.000 -0.305 0.000 1.008 28 Q CA -0.730 54.747 55.803 -0.544 0.000 0.853 28 Q CB 1.521 29.589 28.738 -1.117 0.000 1.314 28 Q HN 0.704 nan 8.270 nan 0.000 0.448 29 N N 1.475 120.105 118.700 -0.117 0.000 2.918 29 N HA 0.215 4.955 4.740 0.000 0.000 0.247 29 N C -0.046 175.521 175.510 0.095 0.000 1.117 29 N CA 0.056 53.105 53.050 -0.001 0.000 1.005 29 N CB 1.092 39.575 38.487 -0.006 0.000 1.297 29 N HN 0.619 nan 8.380 nan 0.000 0.513 30 G N 0.302 109.232 108.800 0.217 0.000 2.543 30 G HA2 0.736 4.696 3.960 0.000 0.000 0.290 30 G HA3 0.736 4.696 3.960 0.000 0.000 0.290 30 G C -0.692 174.303 174.900 0.159 0.000 1.310 30 G CA -0.326 44.948 45.100 0.290 0.000 1.025 30 G HN 0.496 nan 8.290 nan 0.000 0.502 31 A N -1.883 121.003 122.820 0.110 0.000 2.602 31 A HA 0.764 5.084 4.320 0.000 0.000 0.290 31 A C -0.713 176.855 177.584 -0.026 0.000 1.114 31 A CA 0.007 52.065 52.037 0.035 0.000 0.683 31 A CB 1.298 20.324 19.000 0.044 0.000 1.281 31 A HN 2.024 nan 8.150 nan 0.000 0.416 32 V N -1.868 117.992 119.914 -0.090 0.000 2.960 32 V HA 0.947 5.067 4.120 0.000 0.000 0.315 32 V C -0.587 175.390 176.094 -0.194 0.000 1.087 32 V CA -0.796 61.429 62.300 -0.124 0.000 0.982 32 V CB 1.207 32.965 31.823 -0.109 0.000 1.039 32 V HN 1.746 nan 8.190 nan 0.000 0.437 33 V N 3.863 123.701 119.914 -0.127 0.000 2.709 33 V HA 0.640 4.760 4.120 0.000 0.000 0.308 33 V C -0.669 175.447 176.094 0.037 0.000 1.062 33 V CA -0.806 61.479 62.300 -0.026 0.000 0.901 33 V CB 1.790 33.513 31.823 -0.166 0.000 1.003 33 V HN 1.122 nan 8.190 nan 0.000 0.425 34 L N 4.984 126.297 121.223 0.150 0.000 2.416 34 L HA 0.412 4.752 4.340 0.000 0.000 0.272 34 L C 0.315 177.133 176.870 -0.087 0.000 1.161 34 L CA 0.472 55.226 54.840 -0.144 0.000 0.845 34 L CB 0.823 42.646 42.059 -0.394 0.000 1.119 34 L HN 0.923 nan 8.230 nan 0.000 0.464 35 D N 3.338 123.611 120.400 -0.212 0.000 2.449 35 D HA 0.162 4.802 4.640 0.000 0.000 0.236 35 D C 1.174 177.601 176.300 0.213 0.000 1.149 35 D CA 0.786 54.833 54.000 0.079 0.000 0.878 35 D CB 1.328 42.110 40.800 -0.030 0.000 1.198 35 D HN 0.785 nan 8.370 nan 0.000 0.446 36 A N 3.537 126.528 122.820 0.285 0.000 1.978 36 A HA -0.261 4.059 4.320 0.000 0.000 0.220 36 A C 1.975 179.708 177.584 0.249 0.000 1.170 36 A CA 1.553 53.746 52.037 0.260 0.000 0.636 36 A CB -0.636 18.518 19.000 0.256 0.000 0.810 36 A HN 0.728 nan 8.150 nan 0.000 0.448 37 N N -1.295 117.568 118.700 0.272 0.000 2.381 37 N HA -0.096 4.644 4.740 0.000 0.000 0.182 37 N C 1.224 176.775 175.510 0.068 0.000 1.025 37 N CA 0.755 53.885 53.050 0.133 0.000 0.888 37 N CB -0.192 38.320 38.487 0.043 0.000 0.965 37 N HN 0.725 nan 8.380 nan 0.000 0.438 38 W N 1.098 122.396 121.300 -0.003 0.000 3.139 38 W HA 0.137 4.797 4.660 0.000 0.000 0.260 38 W C 0.159 176.758 176.519 0.134 0.000 1.312 38 W CA -0.282 57.088 57.345 0.041 0.000 1.606 38 W CB 0.225 29.624 29.460 -0.102 0.000 1.118 38 W HN -0.040 nan 8.180 nan 0.000 0.675 39 R N -0.255 120.415 120.500 0.284 0.000 2.528 39 R HA 0.081 4.421 4.340 0.000 0.000 0.271 39 R C -0.551 175.950 176.300 0.335 0.000 1.056 39 R CA -0.796 55.488 56.100 0.307 0.000 1.117 39 R CB 0.653 31.093 30.300 0.233 0.000 1.085 39 R HN -0.218 nan 8.270 nan 0.000 0.530 40 W N 3.345 124.761 121.300 0.193 0.000 2.304 40 W HA 0.227 4.888 4.660 0.000 0.000 0.313 40 W C -0.581 176.027 176.519 0.150 0.000 1.323 40 W CA -0.592 56.848 57.345 0.159 0.000 1.223 40 W CB 0.581 30.138 29.460 0.163 0.000 1.237 40 W HN 0.221 nan 8.180 nan 0.000 0.535 41 V N 9.071 128.827 119.914 -0.263 0.000 2.350 41 V HA 0.478 4.598 4.120 0.000 0.000 0.276 41 V C -0.692 174.992 176.094 -0.683 0.000 1.028 41 V CA -0.342 61.737 62.300 -0.367 0.000 0.860 41 V CB 0.145 31.973 31.823 0.008 0.000 0.990 41 V HN 0.710 nan 8.190 nan 0.000 0.453 42 H N 3.717 122.259 119.070 -0.879 0.000 2.731 42 H HA 0.659 5.216 4.556 0.000 0.000 0.368 42 H C -0.341 174.680 175.328 -0.513 0.000 1.168 42 H CA -0.663 54.852 56.048 -0.887 0.000 1.181 42 H CB 1.291 30.183 29.762 -1.450 0.000 1.743 42 H HN 0.723 nan 8.280 nan 0.000 0.547 43 D N 1.520 121.714 120.400 -0.344 0.000 2.399 43 D HA -0.075 4.565 4.640 0.000 0.000 0.241 43 D C 0.681 176.886 176.300 -0.159 0.000 1.133 43 D CA -0.421 53.330 54.000 -0.416 0.000 0.890 43 D CB 1.838 42.102 40.800 -0.895 0.000 1.201 43 D HN 0.369 nan 8.370 nan 0.000 0.432 44 V N 3.105 122.919 119.914 -0.167 0.000 2.626 44 V HA -0.231 3.890 4.120 0.000 0.000 0.252 44 V C 2.011 178.106 176.094 0.002 0.000 1.067 44 V CA 1.834 64.080 62.300 -0.091 0.000 1.081 44 V CB -0.740 31.024 31.823 -0.098 0.000 0.686 44 V HN 0.591 nan 8.190 nan 0.000 0.468 45 N N -1.489 117.210 118.700 -0.001 0.000 2.402 45 N HA 0.116 4.856 4.740 0.000 0.000 0.174 45 N C 0.994 176.527 175.510 0.038 0.000 1.027 45 N CA 0.696 53.764 53.050 0.030 0.000 0.891 45 N CB 0.201 38.718 38.487 0.051 0.000 1.016 45 N HN 0.510 nan 8.380 nan 0.000 0.439 46 G N -1.276 107.543 108.800 0.031 0.000 3.286 46 G HA2 0.442 4.402 3.960 0.000 0.000 0.166 46 G HA3 0.442 4.402 3.960 0.000 0.000 0.166 46 G C -0.973 173.935 174.900 0.012 0.000 1.155 46 G CA 0.096 45.216 45.100 0.035 0.000 0.871 46 G HN 0.215 nan 8.290 nan 0.000 0.637 47 Y N 0.633 120.957 120.300 0.040 0.000 2.577 47 Y HA 0.640 5.191 4.550 0.000 0.000 0.307 47 Y C 0.599 176.647 175.900 0.248 0.000 0.940 47 Y CA -0.414 57.742 58.100 0.094 0.000 1.132 47 Y CB -0.089 38.459 38.460 0.147 0.000 1.184 47 Y HN 0.422 nan 8.280 nan 0.000 0.611 48 T N 1.600 116.218 114.554 0.107 0.000 2.829 48 T HA 0.282 4.633 4.350 0.000 0.000 0.282 48 T C -0.357 174.381 174.700 0.063 0.000 0.990 48 T CA -0.576 61.605 62.100 0.134 0.000 1.028 48 T CB 0.729 69.660 68.868 0.105 0.000 0.951 48 T HN 0.573 nan 8.240 nan 0.000 0.460 49 N N 1.254 120.079 118.700 0.209 0.000 2.411 49 N HA 0.038 4.778 4.740 0.000 0.000 0.265 49 N C 0.814 176.365 175.510 0.068 0.000 1.266 49 N CA -0.223 52.925 53.050 0.164 0.000 0.889 49 N CB 0.142 38.772 38.487 0.238 0.000 1.069 49 N HN 0.618 nan 8.380 nan 0.000 0.476 50 c N 1.607 120.211 118.600 0.005 0.000 2.467 50 c HA 0.006 4.577 4.570 0.000 0.000 0.279 50 c C 0.769 174.964 174.090 0.175 0.000 1.347 50 c CA 0.081 56.501 56.329 0.152 0.000 1.748 50 c CB -1.113 41.517 42.510 0.200 0.000 1.977 50 c HN 0.678 nan 8.230 nan 0.000 0.501 51 Y N 0.459 120.661 120.300 -0.163 0.000 2.328 51 Y HA 0.478 5.028 4.550 0.000 0.000 0.336 51 Y C 0.029 175.808 175.900 -0.201 0.000 0.960 51 Y CA -0.275 57.553 58.100 -0.453 0.000 1.134 51 Y CB 1.177 39.170 38.460 -0.777 0.000 1.166 51 Y HN -0.064 nan 8.280 nan 0.000 0.464 52 T N 5.484 119.678 114.554 -0.602 0.000 2.934 52 T HA 0.514 4.864 4.350 0.000 0.000 0.328 52 T C 0.651 175.061 174.700 -0.483 0.000 1.068 52 T CA 0.415 62.311 62.100 -0.341 0.000 1.018 52 T CB -0.357 68.421 68.868 -0.149 0.000 1.009 52 T HN 1.250 nan 8.240 nan 0.000 0.471 53 G N 5.613 114.191 108.800 -0.371 0.000 5.206 53 G HA2 -0.341 3.619 3.960 0.000 0.000 0.328 53 G HA3 -0.341 3.619 3.960 0.000 0.000 0.328 53 G C 0.435 175.144 174.900 -0.318 0.000 1.382 53 G CA 0.727 45.675 45.100 -0.253 0.000 0.994 53 G HN 1.345 nan 8.290 nan 0.000 0.800 54 N N 0.688 119.177 118.700 -0.352 0.000 2.466 54 N HA 0.402 5.142 4.740 0.000 0.000 0.272 54 N C -0.290 175.148 175.510 -0.120 0.000 1.455 54 N CA 0.881 53.836 53.050 -0.158 0.000 0.875 54 N CB 0.537 39.040 38.487 0.027 0.000 1.372 54 N HN 0.697 nan 8.380 nan 0.000 0.492 55 T N -0.378 113.812 114.554 -0.607 0.000 2.894 55 T HA 0.374 4.724 4.350 0.000 0.000 0.309 55 T C -1.207 173.135 174.700 -0.597 0.000 1.208 55 T CA -0.549 61.358 62.100 -0.323 0.000 1.016 55 T CB 1.207 70.009 68.868 -0.110 0.000 1.192 55 T HN 0.143 nan 8.240 nan 0.000 0.491 56 W N 1.531 122.723 121.300 -0.181 0.000 2.316 56 W HA 0.426 5.086 4.660 0.000 0.000 0.321 56 W C 0.333 176.816 176.519 -0.060 0.000 1.203 56 W CA -0.209 57.056 57.345 -0.133 0.000 1.214 56 W CB 0.519 29.885 29.460 -0.156 0.000 1.169 56 W HN 0.518 nan 8.180 nan 0.000 0.561 57 D N 3.610 124.154 120.400 0.240 0.000 2.365 57 D HA 0.168 4.809 4.640 0.000 0.000 0.237 57 D C -1.605 174.804 176.300 0.182 0.000 1.190 57 D CA -2.195 51.915 54.000 0.184 0.000 0.867 57 D CB 1.455 42.395 40.800 0.235 0.000 1.050 57 D HN -0.004 nan 8.370 nan 0.000 0.491 58 P HA -0.089 nan 4.420 nan 0.000 0.226 58 P C 1.306 178.602 177.300 -0.006 0.000 1.153 58 P CA 0.728 63.860 63.100 0.054 0.000 0.777 58 P CB 0.212 31.932 31.700 0.033 0.000 0.794 59 T N -2.214 112.300 114.554 -0.067 0.000 2.788 59 T HA -0.182 4.168 4.350 0.000 0.000 0.268 59 T C 1.424 175.936 174.700 -0.314 0.000 1.044 59 T CA 1.427 63.383 62.100 -0.240 0.000 1.139 59 T CB -0.669 67.970 68.868 -0.382 0.000 0.867 59 T HN 0.089 nan 8.240 nan 0.000 0.454 60 Y N -0.582 119.742 120.300 0.040 0.000 2.509 60 Y HA 0.349 4.899 4.550 0.000 0.000 0.270 60 Y C 1.528 177.439 175.900 0.019 0.000 1.103 60 Y CA -0.426 57.696 58.100 0.035 0.000 1.278 60 Y CB 0.570 39.064 38.460 0.057 0.000 1.087 60 Y HN 0.230 nan 8.280 nan 0.000 0.542 61 c N 2.041 120.734 118.600 0.155 0.000 3.401 61 c HA 0.266 4.836 4.570 0.000 0.000 0.204 61 c C -1.322 172.751 174.090 -0.030 0.000 1.522 61 c CA -1.365 54.979 56.329 0.026 0.000 1.409 61 c CB -0.132 42.397 42.510 0.031 0.000 1.967 61 c HN 0.264 nan 8.230 nan 0.000 0.496 62 P HA -0.039 nan 4.420 nan 0.000 0.222 62 P C -0.058 177.206 177.300 -0.060 0.000 1.153 62 P CA 1.532 64.612 63.100 -0.034 0.000 0.798 62 P CB 0.332 32.016 31.700 -0.027 0.000 0.796 63 D N -3.194 117.154 120.400 -0.087 0.000 2.596 63 D HA 0.148 4.788 4.640 0.000 0.000 0.262 63 D C 0.190 176.394 176.300 -0.161 0.000 1.210 63 D CA -0.715 53.220 54.000 -0.108 0.000 0.873 63 D CB 0.042 40.805 40.800 -0.061 0.000 1.408 63 D HN -0.423 nan 8.370 nan 0.000 0.441 64 D N -0.136 120.169 120.400 -0.159 0.000 2.133 64 D HA -0.199 4.441 4.640 0.000 0.000 0.192 64 D C 1.347 177.576 176.300 -0.120 0.000 1.001 64 D CA 1.445 55.338 54.000 -0.178 0.000 0.844 64 D CB 0.088 40.841 40.800 -0.078 0.000 0.944 64 D HN 0.599 nan 8.370 nan 0.000 0.447 65 E N -0.509 119.651 120.200 -0.067 0.000 2.033 65 E HA -0.088 4.262 4.350 0.000 0.000 0.189 65 E C 1.985 178.568 176.600 -0.028 0.000 0.979 65 E CA 1.111 57.490 56.400 -0.034 0.000 0.802 65 E CB 0.148 29.836 29.700 -0.021 0.000 0.763 65 E HN 0.141 nan 8.360 nan 0.000 0.449 66 T N 0.615 115.150 114.554 -0.033 0.000 2.720 66 T HA -0.235 4.115 4.350 0.000 0.000 0.268 66 T C 2.008 176.706 174.700 -0.003 0.000 1.037 66 T CA 1.178 63.269 62.100 -0.014 0.000 1.144 66 T CB -0.649 68.210 68.868 -0.014 0.000 0.864 66 T HN 0.319 nan 8.240 nan 0.000 0.444 67 c N 1.652 120.228 118.600 -0.040 0.000 2.398 67 c HA -0.106 4.464 4.570 0.000 0.000 0.276 67 c C 3.141 177.270 174.090 0.064 0.000 1.222 67 c CA 0.980 57.291 56.329 -0.031 0.000 1.746 67 c CB -1.455 40.899 42.510 -0.260 0.000 2.039 67 c HN 0.627 nan 8.230 nan 0.000 0.470 68 A N -1.153 121.712 122.820 0.074 0.000 1.969 68 A HA -0.200 4.121 4.320 0.000 0.000 0.218 68 A C 2.030 179.593 177.584 -0.034 0.000 1.169 68 A CA 1.791 53.882 52.037 0.089 0.000 0.635 68 A CB -0.582 18.462 19.000 0.074 0.000 0.810 68 A HN 0.825 nan 8.150 nan 0.000 0.445 69 Q N -0.672 119.116 119.800 -0.020 0.000 2.187 69 Q HA -0.021 4.319 4.340 0.000 0.000 0.199 69 Q C 1.316 177.293 176.000 -0.038 0.000 0.957 69 Q CA 1.089 56.871 55.803 -0.035 0.000 0.857 69 Q CB 0.062 28.791 28.738 -0.015 0.000 0.929 69 Q HN 0.583 nan 8.270 nan 0.000 0.453 70 N N -1.082 117.612 118.700 -0.009 0.000 2.392 70 N HA 0.040 4.780 4.740 0.000 0.000 0.177 70 N C -0.359 175.099 175.510 -0.086 0.000 1.066 70 N CA 0.307 53.357 53.050 0.001 0.000 0.895 70 N CB 0.530 39.085 38.487 0.113 0.000 0.988 70 N HN 0.110 nan 8.380 nan 0.000 0.457 71 c N 0.449 118.992 118.600 -0.096 0.000 2.529 71 c HA 0.893 5.463 4.570 0.000 0.000 0.329 71 c C 0.151 174.054 174.090 -0.313 0.000 1.194 71 c CA -1.136 55.094 56.329 -0.164 0.000 1.779 71 c CB 1.312 43.860 42.510 0.064 0.000 2.322 71 c HN 0.306 nan 8.230 nan 0.000 0.500 72 A N 1.901 124.430 122.820 -0.486 0.000 2.414 72 A HA 0.805 5.125 4.320 0.000 0.000 0.306 72 A C -1.169 176.047 177.584 -0.614 0.000 1.054 72 A CA -0.441 51.227 52.037 -0.614 0.000 0.724 72 A CB 0.647 19.206 19.000 -0.735 0.000 1.267 72 A HN 0.860 nan 8.150 nan 0.000 0.418 73 L N 2.171 123.085 121.223 -0.515 0.000 2.313 73 L HA 0.251 4.591 4.340 0.000 0.000 0.282 73 L C 0.021 176.766 176.870 -0.208 0.000 1.092 73 L CA -0.508 54.151 54.840 -0.303 0.000 0.831 73 L CB 0.696 42.626 42.059 -0.215 0.000 1.159 73 L HN 0.731 nan 8.230 nan 0.000 0.442 74 D N 2.096 122.511 120.400 0.025 0.000 2.344 74 D HA 0.265 4.905 4.640 0.000 0.000 0.244 74 D C 0.493 177.032 176.300 0.399 0.000 1.134 74 D CA 0.077 54.242 54.000 0.275 0.000 0.930 74 D CB 1.397 42.514 40.800 0.529 0.000 1.175 74 D HN 0.523 nan 8.370 nan 0.000 0.437 75 G N 0.110 109.171 108.800 0.435 0.000 2.699 75 G HA2 0.465 4.425 3.960 0.000 0.000 0.246 75 G HA3 0.465 4.425 3.960 0.000 0.000 0.246 75 G C -0.827 174.233 174.900 0.267 0.000 1.219 75 G CA 0.120 45.427 45.100 0.345 0.000 0.866 75 G HN 0.560 nan 8.290 nan 0.000 0.572 76 A N 0.189 123.108 122.820 0.166 0.000 2.355 76 A HA 0.544 4.864 4.320 0.000 0.000 0.317 76 A C -0.676 176.972 177.584 0.107 0.000 1.094 76 A CA -0.589 51.494 52.037 0.077 0.000 0.764 76 A CB 1.719 20.446 19.000 -0.455 0.000 1.230 76 A HN 0.571 nan 8.150 nan 0.000 0.448 77 D N 2.034 122.543 120.400 0.182 0.000 2.422 77 D HA 0.253 4.893 4.640 0.000 0.000 0.227 77 D C 0.289 176.716 176.300 0.212 0.000 1.190 77 D CA 0.059 54.162 54.000 0.173 0.000 0.905 77 D CB -0.069 40.786 40.800 0.092 0.000 1.034 77 D HN 0.478 nan 8.370 nan 0.000 0.507 78 Y N 1.725 122.153 120.300 0.213 0.000 2.114 78 Y HA -0.195 4.355 4.550 0.000 0.000 0.284 78 Y C 2.563 178.563 175.900 0.167 0.000 1.143 78 Y CA 1.552 59.779 58.100 0.210 0.000 1.135 78 Y CB -0.337 38.188 38.460 0.108 0.000 0.980 78 Y HN 0.406 nan 8.280 nan 0.000 0.499 79 E N -0.406 119.948 120.200 0.256 0.000 2.015 79 E HA -0.123 4.227 4.350 0.000 0.000 0.191 79 E C 2.439 179.094 176.600 0.092 0.000 0.991 79 E CA 1.209 57.697 56.400 0.147 0.000 0.802 79 E CB -1.086 28.677 29.700 0.104 0.000 0.759 79 E HN 0.589 nan 8.360 nan 0.000 0.447 80 G N -1.321 107.519 108.800 0.065 0.000 2.430 80 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 80 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 80 G C 1.684 176.551 174.900 -0.055 0.000 1.146 80 G CA 1.286 46.391 45.100 0.008 0.000 0.793 80 G HN 0.504 nan 8.290 nan 0.000 0.537 81 T N -0.835 113.653 114.554 -0.111 0.000 3.033 81 T HA 0.124 4.475 4.350 0.000 0.000 0.248 81 T C 1.441 175.855 174.700 -0.476 0.000 1.040 81 T CA 0.459 62.344 62.100 -0.359 0.000 1.133 81 T CB 0.022 68.546 68.868 -0.575 0.000 0.895 81 T HN 0.308 nan 8.240 nan 0.000 0.465 82 Y N 0.374 120.685 120.300 0.018 0.000 2.481 82 Y HA 0.455 5.005 4.550 0.000 0.000 0.247 82 Y C 1.696 177.624 175.900 0.048 0.000 1.151 82 Y CA -0.626 57.490 58.100 0.027 0.000 1.238 82 Y CB 0.292 38.718 38.460 -0.057 0.000 1.179 82 Y HN 0.253 nan 8.280 nan 0.000 0.524 83 G N 1.115 110.008 108.800 0.155 0.000 2.249 83 G HA2 -0.257 3.703 3.960 0.000 0.000 0.273 83 G HA3 -0.257 3.703 3.960 0.000 0.000 0.273 83 G C -0.361 174.624 174.900 0.142 0.000 1.036 83 G CA 0.387 45.563 45.100 0.126 0.000 0.824 83 G HN 0.137 nan 8.290 nan 0.000 0.504 84 V N 1.359 121.383 119.914 0.183 0.000 2.370 84 V HA 0.766 4.886 4.120 0.000 0.000 0.279 84 V C 0.620 176.802 176.094 0.146 0.000 1.029 84 V CA 0.276 62.682 62.300 0.176 0.000 0.870 84 V CB 1.476 33.456 31.823 0.261 0.000 0.984 84 V HN 0.826 nan 8.190 nan 0.000 0.451 85 T N 1.144 115.750 114.554 0.086 0.000 2.893 85 T HA 0.745 5.095 4.350 0.000 0.000 0.293 85 T C -0.338 174.384 174.700 0.036 0.000 1.027 85 T CA -0.624 61.508 62.100 0.054 0.000 0.988 85 T CB 1.904 70.789 68.868 0.028 0.000 1.043 85 T HN 0.723 nan 8.240 nan 0.000 0.461 86 S N 1.264 116.977 115.700 0.023 0.000 2.607 86 S HA 0.774 5.244 4.470 0.000 0.000 0.303 86 S C 0.498 175.110 174.600 0.020 0.000 1.086 86 S CA -0.459 57.755 58.200 0.023 0.000 0.995 86 S CB 1.984 65.193 63.200 0.015 0.000 1.084 86 S HN 0.813 nan 8.310 nan 0.000 0.507 87 S N 1.240 116.955 115.700 0.026 0.000 3.226 87 S HA 0.572 5.042 4.470 0.000 0.000 0.195 87 S C 1.078 175.694 174.600 0.027 0.000 0.793 87 S CA 0.556 58.769 58.200 0.022 0.000 0.816 87 S CB -0.325 62.886 63.200 0.018 0.000 0.847 87 S HN 1.011 nan 8.310 nan 0.000 0.630 88 G N 0.669 109.491 108.800 0.036 0.000 2.542 88 G HA2 0.196 4.156 3.960 0.000 0.000 0.208 88 G HA3 0.196 4.156 3.960 0.000 0.000 0.208 88 G C 0.850 175.788 174.900 0.062 0.000 1.976 88 G CA 0.797 45.922 45.100 0.041 0.000 0.722 88 G HN 0.776 nan 8.290 nan 0.000 0.798 89 S N 0.092 115.835 115.700 0.071 0.000 2.710 89 S HA 0.340 4.810 4.470 0.000 0.000 0.224 89 S C 0.628 175.291 174.600 0.105 0.000 0.948 89 S CA 0.625 58.886 58.200 0.102 0.000 0.949 89 S CB -0.442 62.818 63.200 0.100 0.000 0.778 89 S HN 0.905 nan 8.310 nan 0.000 0.498 90 S N 0.777 116.528 115.700 0.085 0.000 2.526 90 S HA 0.745 5.215 4.470 0.000 0.000 0.293 90 S C -1.183 173.466 174.600 0.082 0.000 1.092 90 S CA -0.844 57.409 58.200 0.089 0.000 0.980 90 S CB 1.655 64.896 63.200 0.068 0.000 1.048 90 S HN 0.370 nan 8.310 nan 0.000 0.483 91 L N 2.812 124.099 121.223 0.107 0.000 2.356 91 L HA 0.682 5.022 4.340 0.000 0.000 0.277 91 L C -0.698 176.232 176.870 0.099 0.000 0.996 91 L CA -0.309 54.593 54.840 0.104 0.000 0.822 91 L CB 1.676 43.816 42.059 0.135 0.000 1.256 91 L HN 0.912 nan 8.230 nan 0.000 0.413 92 K N 5.665 126.104 120.400 0.066 0.000 2.307 92 K HA 0.636 4.956 4.320 0.000 0.000 0.263 92 K C -1.664 174.986 176.600 0.083 0.000 0.973 92 K CA -0.508 55.810 56.287 0.051 0.000 0.846 92 K CB 0.863 33.349 32.500 -0.023 0.000 1.100 92 K HN 0.699 nan 8.250 nan 0.000 0.438 93 L N 4.082 125.376 121.223 0.118 0.000 2.280 93 L HA 0.400 4.740 4.340 0.000 0.000 0.287 93 L C -0.147 176.848 176.870 0.207 0.000 1.023 93 L CA -0.797 54.133 54.840 0.150 0.000 0.819 93 L CB 1.273 43.427 42.059 0.158 0.000 1.212 93 L HN 0.645 nan 8.230 nan 0.000 0.420 94 N N 1.218 120.036 118.700 0.197 0.000 2.524 94 N HA 0.143 4.883 4.740 0.000 0.000 0.283 94 N C 0.267 175.965 175.510 0.314 0.000 1.142 94 N CA -0.586 52.610 53.050 0.244 0.000 0.984 94 N CB 1.568 40.150 38.487 0.158 0.000 1.155 94 N HN 0.479 nan 8.380 nan 0.000 0.467 95 F N 2.489 122.529 119.950 0.149 0.000 2.053 95 F HA 0.088 4.615 4.527 0.000 0.000 0.292 95 F C 0.499 176.387 175.800 0.147 0.000 1.125 95 F CA 0.835 58.920 58.000 0.141 0.000 1.193 95 F CB 0.018 39.083 39.000 0.108 0.000 0.996 95 F HN 0.108 nan 8.300 nan 0.000 0.470 96 V N 1.208 121.085 119.914 -0.061 0.000 2.448 96 V HA 0.375 4.495 4.120 0.000 0.000 0.295 96 V C -0.719 175.356 176.094 -0.031 0.000 1.025 96 V CA -0.483 61.706 62.300 -0.185 0.000 0.859 96 V CB 1.367 33.026 31.823 -0.273 0.000 0.988 96 V HN 0.222 nan 8.190 nan 0.000 0.431 97 T N 3.911 118.451 114.554 -0.023 0.000 2.930 97 T HA 0.622 4.973 4.350 0.000 0.000 0.313 97 T C 0.693 175.363 174.700 -0.051 0.000 1.019 97 T CA 0.306 62.395 62.100 -0.019 0.000 1.004 97 T CB 1.161 70.026 68.868 -0.005 0.000 0.987 97 T HN 1.321 nan 8.240 nan 0.000 0.456 98 G N 3.626 112.397 108.800 -0.049 0.000 2.629 98 G HA2 -0.353 3.607 3.960 0.000 0.000 0.313 98 G HA3 -0.353 3.607 3.960 0.000 0.000 0.313 98 G C 1.199 176.065 174.900 -0.056 0.000 1.217 98 G CA 0.830 45.895 45.100 -0.057 0.000 0.994 98 G HN 1.403 nan 8.290 nan 0.000 0.549 99 S N 0.249 115.913 115.700 -0.060 0.000 2.557 99 S HA 0.330 4.800 4.470 0.000 0.000 0.223 99 S C 0.481 175.065 174.600 -0.027 0.000 0.969 99 S CA 0.874 59.048 58.200 -0.044 0.000 0.927 99 S CB 0.192 63.367 63.200 -0.041 0.000 0.806 99 S HN 0.891 nan 8.310 nan 0.000 0.489 100 N N 1.265 119.947 118.700 -0.029 0.000 2.488 100 N HA 0.339 5.079 4.740 0.000 0.000 0.274 100 N C -1.171 174.381 175.510 0.071 0.000 1.111 100 N CA -0.197 52.885 53.050 0.053 0.000 0.974 100 N CB 1.190 39.706 38.487 0.048 0.000 1.089 100 N HN 0.071 nan 8.380 nan 0.000 0.465 101 V N 3.410 123.418 119.914 0.155 0.000 2.334 101 V HA 0.690 4.811 4.120 0.000 0.000 0.281 101 V C 0.954 177.316 176.094 0.448 0.000 1.016 101 V CA 0.154 62.527 62.300 0.122 0.000 0.832 101 V CB 0.085 31.957 31.823 0.083 0.000 0.999 101 V HN 1.032 nan 8.190 nan 0.000 0.439 102 G N 5.039 114.091 108.800 0.419 0.000 2.645 102 G HA2 0.062 4.022 3.960 0.000 0.000 0.246 102 G HA3 0.062 4.022 3.960 0.000 0.000 0.246 102 G C -0.164 174.934 174.900 0.330 0.000 1.322 102 G CA 0.085 45.494 45.100 0.516 0.000 0.898 102 G HN 2.019 nan 8.290 nan 0.000 0.573 103 S N -1.875 113.810 115.700 -0.024 0.000 2.611 103 S HA 0.722 5.192 4.470 0.000 0.000 0.270 103 S C -0.987 173.102 174.600 -0.852 0.000 1.131 103 S CA 0.161 57.858 58.200 -0.838 0.000 0.826 103 S CB 2.170 65.103 63.200 -0.445 0.000 1.095 103 S HN 1.687 nan 8.310 nan 0.000 0.461 104 R N 0.573 120.335 120.500 -1.229 0.000 2.538 104 R HA 0.797 5.137 4.340 0.000 0.000 0.292 104 R C -2.093 173.684 176.300 -0.872 0.000 1.008 104 R CA -0.687 54.906 56.100 -0.846 0.000 0.896 104 R CB 1.073 30.880 30.300 -0.823 0.000 1.187 104 R HN 0.746 nan 8.270 nan 0.000 0.440 105 L N 3.879 124.630 121.223 -0.785 0.000 2.371 105 L HA 0.586 4.926 4.340 0.000 0.000 0.262 105 L C -1.347 175.007 176.870 -0.860 0.000 1.006 105 L CA -0.852 53.543 54.840 -0.741 0.000 0.818 105 L CB 1.944 43.791 42.059 -0.353 0.000 1.354 105 L HN 0.524 nan 8.230 nan 0.000 0.415 106 Y N 1.237 121.414 120.300 -0.205 0.000 2.468 106 Y HA 0.618 5.168 4.550 0.000 0.000 0.342 106 Y C -0.368 175.449 175.900 -0.138 0.000 1.021 106 Y CA -1.053 56.901 58.100 -0.243 0.000 1.079 106 Y CB 1.698 39.966 38.460 -0.319 0.000 1.226 106 Y HN 0.307 nan 8.280 nan 0.000 0.460 107 L N 3.481 124.708 121.223 0.007 0.000 2.305 107 L HA 0.515 4.855 4.340 0.000 0.000 0.281 107 L C -1.149 175.781 176.870 0.099 0.000 1.085 107 L CA -0.062 54.778 54.840 -0.001 0.000 0.813 107 L CB 0.275 42.282 42.059 -0.087 0.000 1.157 107 L HN 0.570 nan 8.230 nan 0.000 0.436 108 L N 4.900 126.166 121.223 0.072 0.000 2.322 108 L HA 0.355 4.695 4.340 0.000 0.000 0.279 108 L C 1.127 178.051 176.870 0.090 0.000 1.036 108 L CA -0.185 54.694 54.840 0.065 0.000 0.807 108 L CB 1.628 43.659 42.059 -0.046 0.000 1.226 108 L HN 0.779 nan 8.230 nan 0.000 0.433 109 Q N 1.418 121.262 119.800 0.073 0.000 2.049 109 Q HA -0.090 4.250 4.340 0.000 0.000 0.198 109 Q C -0.392 175.646 176.000 0.063 0.000 0.971 109 Q CA 1.603 57.457 55.803 0.086 0.000 0.833 109 Q CB 0.459 29.226 28.738 0.047 0.000 0.896 109 Q HN 0.904 nan 8.270 nan 0.000 0.434 110 D N -1.708 118.706 120.400 0.025 0.000 2.812 110 D HA 0.022 4.662 4.640 0.000 0.000 0.318 110 D C -0.307 176.001 176.300 0.012 0.000 1.234 110 D CA -0.048 53.967 54.000 0.025 0.000 0.989 110 D CB -0.034 40.775 40.800 0.016 0.000 1.442 110 D HN 0.048 nan 8.370 nan 0.000 0.537 111 D N -1.339 119.089 120.400 0.046 0.000 2.363 111 D HA 0.032 4.672 4.640 0.000 0.000 0.220 111 D C 0.440 176.782 176.300 0.071 0.000 0.994 111 D CA 0.390 54.465 54.000 0.124 0.000 0.890 111 D CB -0.041 40.828 40.800 0.116 0.000 0.906 111 D HN 0.144 nan 8.370 nan 0.000 0.530 112 S N -1.488 114.197 115.700 -0.025 0.000 2.900 112 S HA 0.222 4.692 4.470 0.000 0.000 0.253 112 S C -0.321 174.173 174.600 -0.177 0.000 1.029 112 S CA -0.466 57.686 58.200 -0.079 0.000 1.096 112 S CB 0.998 64.176 63.200 -0.036 0.000 1.067 112 S HN 0.190 nan 8.310 nan 0.000 0.610 113 T N 1.909 116.343 114.554 -0.200 0.000 3.109 113 T HA 0.393 4.743 4.350 0.000 0.000 0.311 113 T C -1.266 173.334 174.700 -0.166 0.000 1.011 113 T CA -0.530 61.451 62.100 -0.198 0.000 1.026 113 T CB 0.729 69.551 68.868 -0.077 0.000 1.047 113 T HN 0.064 nan 8.240 nan 0.000 0.448 114 Y N 1.874 122.150 120.300 -0.039 0.000 2.597 114 Y HA 0.282 4.832 4.550 0.000 0.000 0.336 114 Y C 1.035 176.907 175.900 -0.047 0.000 1.216 114 Y CA -0.558 57.514 58.100 -0.047 0.000 1.463 114 Y CB 0.372 38.788 38.460 -0.073 0.000 1.303 114 Y HN 0.517 nan 8.280 nan 0.000 0.576 115 Q N 2.973 122.845 119.800 0.120 0.000 2.297 115 Q HA 0.219 4.559 4.340 0.000 0.000 0.267 115 Q C -1.138 174.821 176.000 -0.068 0.000 1.006 115 Q CA 0.107 55.891 55.803 -0.031 0.000 0.896 115 Q CB 0.129 28.797 28.738 -0.117 0.000 1.186 115 Q HN 0.447 nan 8.270 nan 0.000 0.392 116 I N 5.587 126.076 120.570 -0.136 0.000 2.331 116 I HA 0.253 4.423 4.170 0.000 0.000 0.292 116 I C -0.476 175.463 176.117 -0.297 0.000 0.998 116 I CA -0.324 60.918 61.300 -0.097 0.000 1.267 116 I CB 0.194 38.169 38.000 -0.041 0.000 1.386 116 I HN 0.625 nan 8.210 nan 0.000 0.476 117 F N 5.165 125.024 119.950 -0.152 0.000 2.458 117 F HA 0.391 4.919 4.527 0.000 0.000 0.336 117 F C 0.514 176.178 175.800 -0.226 0.000 1.114 117 F CA -0.757 57.056 58.000 -0.311 0.000 0.987 117 F CB 1.436 40.105 39.000 -0.552 0.000 1.130 117 F HN 0.236 nan 8.300 nan 0.000 0.458 118 K N 4.198 124.653 120.400 0.091 0.000 2.334 118 K HA 0.393 4.713 4.320 0.000 0.000 0.265 118 K C 0.374 177.084 176.600 0.183 0.000 1.039 118 K CA -0.111 56.229 56.287 0.089 0.000 0.920 118 K CB 0.813 33.376 32.500 0.106 0.000 1.160 118 K HN 0.695 nan 8.250 nan 0.000 0.451 119 L N 3.085 124.289 121.223 -0.032 0.000 2.446 119 L HA 0.135 4.475 4.340 0.000 0.000 0.219 119 L C 0.416 177.308 176.870 0.037 0.000 1.116 119 L CA 0.062 54.855 54.840 -0.078 0.000 0.844 119 L CB 0.026 41.628 42.059 -0.762 0.000 0.970 119 L HN 0.466 nan 8.230 nan 0.000 0.457 120 L N 1.404 122.647 121.223 0.034 0.000 2.499 120 L HA -0.074 4.266 4.340 0.000 0.000 0.273 120 L C 1.027 177.978 176.870 0.135 0.000 1.195 120 L CA 0.469 55.364 54.840 0.091 0.000 0.882 120 L CB -0.084 42.010 42.059 0.058 0.000 1.133 120 L HN 0.402 nan 8.230 nan 0.000 0.483 121 N N 2.025 120.822 118.700 0.161 0.000 2.735 121 N HA -0.185 4.555 4.740 0.000 0.000 0.248 121 N C -0.490 175.094 175.510 0.124 0.000 1.083 121 N CA 0.314 53.442 53.050 0.129 0.000 0.703 121 N CB -0.089 38.447 38.487 0.083 0.000 1.005 121 N HN 0.537 nan 8.380 nan 0.000 0.550 122 R N 0.648 121.271 120.500 0.205 0.000 2.888 122 R HA 0.401 4.741 4.340 0.000 0.000 0.264 122 R C -0.436 176.045 176.300 0.303 0.000 1.045 122 R CA -0.558 55.637 56.100 0.158 0.000 0.962 122 R CB 1.426 31.794 30.300 0.113 0.000 1.210 122 R HN 0.427 nan 8.270 nan 0.000 0.479 123 E N 0.942 121.271 120.200 0.216 0.000 2.288 123 E HA 0.462 4.812 4.350 0.000 0.000 0.268 123 E C -1.593 175.277 176.600 0.450 0.000 0.885 123 E CA -0.561 56.015 56.400 0.293 0.000 0.767 123 E CB 2.018 31.829 29.700 0.185 0.000 1.220 123 E HN 0.352 nan 8.360 nan 0.000 0.427 124 F N 2.437 122.600 119.950 0.355 0.000 2.529 124 F HA 0.522 5.049 4.527 0.000 0.000 0.320 124 F C -1.047 174.922 175.800 0.282 0.000 1.118 124 F CA -0.351 57.906 58.000 0.428 0.000 0.915 124 F CB 2.094 41.397 39.000 0.506 0.000 1.161 124 F HN 0.525 nan 8.300 nan 0.000 0.445 125 S N 6.453 122.022 115.700 -0.219 0.000 2.546 125 S HA 0.877 5.347 4.470 0.000 0.000 0.274 125 S C -1.527 172.987 174.600 -0.143 0.000 1.121 125 S CA -0.425 57.703 58.200 -0.121 0.000 0.887 125 S CB 1.406 64.553 63.200 -0.088 0.000 1.094 125 S HN 0.891 nan 8.310 nan 0.000 0.474 126 F N 0.030 119.875 119.950 -0.175 0.000 2.678 126 F HA 0.712 5.239 4.527 0.000 0.000 0.308 126 F C -1.474 174.250 175.800 -0.127 0.000 1.118 126 F CA -0.989 56.931 58.000 -0.133 0.000 0.959 126 F CB 0.485 39.446 39.000 -0.065 0.000 1.305 126 F HN 0.370 nan 8.300 nan 0.000 0.443 127 D N 1.668 122.058 120.400 -0.016 0.000 2.225 127 D HA 0.601 5.242 4.640 0.000 0.000 0.249 127 D C -0.998 175.290 176.300 -0.020 0.000 1.052 127 D CA -0.261 53.664 54.000 -0.126 0.000 0.909 127 D CB 2.318 43.089 40.800 -0.048 0.000 1.186 127 D HN 0.638 nan 8.370 nan 0.000 0.431 128 V N 1.021 120.769 119.914 -0.276 0.000 2.932 128 V HA 0.360 4.480 4.120 0.000 0.000 0.307 128 V C -1.915 173.963 176.094 -0.359 0.000 1.147 128 V CA -0.716 61.449 62.300 -0.225 0.000 0.951 128 V CB 2.536 34.245 31.823 -0.191 0.000 1.031 128 V HN 0.496 nan 8.190 nan 0.000 0.426 129 D N 3.813 124.101 120.400 -0.187 0.000 2.462 129 D HA 0.378 5.018 4.640 0.000 0.000 0.245 129 D C 0.244 176.487 176.300 -0.095 0.000 1.122 129 D CA 0.084 54.012 54.000 -0.121 0.000 0.864 129 D CB 1.833 42.613 40.800 -0.033 0.000 1.098 129 D HN 0.554 nan 8.370 nan 0.000 0.541 130 V N 1.847 121.754 119.914 -0.013 0.000 3.483 130 V HA 0.148 4.268 4.120 0.000 0.000 0.301 130 V C 1.664 177.732 176.094 -0.043 0.000 1.389 130 V CA 0.655 62.969 62.300 0.024 0.000 1.101 130 V CB -0.348 31.629 31.823 0.257 0.000 0.971 130 V HN 0.456 nan 8.190 nan 0.000 0.434 131 S N 0.268 115.929 115.700 -0.066 0.000 2.420 131 S HA -0.197 4.273 4.470 0.000 0.000 0.237 131 S C 1.368 175.871 174.600 -0.162 0.000 1.023 131 S CA 1.921 60.068 58.200 -0.088 0.000 0.991 131 S CB -0.922 62.245 63.200 -0.055 0.000 0.792 131 S HN 0.732 nan 8.310 nan 0.000 0.488 132 N N 0.510 119.029 118.700 -0.303 0.000 2.380 132 N HA 0.249 4.989 4.740 0.000 0.000 0.255 132 N C -1.398 173.928 175.510 -0.306 0.000 1.158 132 N CA -0.103 52.733 53.050 -0.355 0.000 0.878 132 N CB 0.342 38.431 38.487 -0.664 0.000 1.138 132 N HN 0.232 nan 8.380 nan 0.000 0.509 133 L N 2.581 123.667 121.223 -0.227 0.000 2.337 133 L HA 0.478 4.818 4.340 0.000 0.000 0.269 133 L C -2.078 174.687 176.870 -0.176 0.000 1.018 133 L CA -2.110 52.605 54.840 -0.208 0.000 0.876 133 L CB 1.236 43.193 42.059 -0.171 0.000 1.236 133 L HN 0.001 nan 8.230 nan 0.000 0.436 134 P HA 0.158 nan 4.420 nan 0.000 0.279 134 P C -0.118 177.070 177.300 -0.188 0.000 1.282 134 P CA -0.661 62.346 63.100 -0.155 0.000 0.788 134 P CB 0.671 32.296 31.700 -0.125 0.000 1.139 135 c N -0.517 117.980 118.600 -0.171 0.000 2.348 135 c HA 0.258 4.828 4.570 0.000 0.000 0.391 135 c C 2.031 175.989 174.090 -0.220 0.000 1.463 135 c CA 2.104 58.315 56.329 -0.196 0.000 1.550 135 c CB -1.711 40.704 42.510 -0.159 0.000 2.539 135 c HN 0.984 nan 8.230 nan 0.000 0.588 136 G N 2.276 110.912 108.800 -0.273 0.000 2.199 136 G HA2 -0.203 3.757 3.960 0.000 0.000 0.254 136 G HA3 -0.203 3.757 3.960 0.000 0.000 0.254 136 G C -0.073 174.614 174.900 -0.355 0.000 0.982 136 G CA 0.196 45.125 45.100 -0.284 0.000 0.632 136 G HN 0.665 nan 8.290 nan 0.000 0.529 137 L N 0.045 121.027 121.223 -0.402 0.000 2.334 137 L HA 0.676 5.016 4.340 0.000 0.000 0.270 137 L C -0.231 176.341 176.870 -0.496 0.000 1.018 137 L CA -1.121 53.429 54.840 -0.484 0.000 0.811 137 L CB 1.810 43.549 42.059 -0.533 0.000 1.271 137 L HN 0.130 nan 8.230 nan 0.000 0.443 138 N N 0.736 119.106 118.700 -0.550 0.000 2.519 138 N HA 0.321 5.061 4.740 0.000 0.000 0.286 138 N C -0.666 174.713 175.510 -0.217 0.000 1.079 138 N CA -0.323 52.416 53.050 -0.519 0.000 0.878 138 N CB 1.997 39.922 38.487 -0.937 0.000 1.375 138 N HN 0.715 nan 8.380 nan 0.000 0.514 139 G N 1.855 110.633 108.800 -0.036 0.000 2.457 139 G HA2 0.606 4.566 3.960 0.000 0.000 0.316 139 G HA3 0.606 4.566 3.960 0.000 0.000 0.316 139 G C -0.474 174.661 174.900 0.393 0.000 1.030 139 G CA -0.384 44.843 45.100 0.212 0.000 1.073 139 G HN 0.649 nan 8.290 nan 0.000 0.430 140 A N 2.905 126.010 122.820 0.475 0.000 2.317 140 A HA 0.792 5.112 4.320 0.000 0.000 0.327 140 A C -0.706 177.113 177.584 0.391 0.000 1.178 140 A CA -0.690 51.642 52.037 0.491 0.000 0.817 140 A CB 1.508 20.842 19.000 0.557 0.000 1.189 140 A HN 0.892 nan 8.150 nan 0.000 0.489 141 L N 3.424 124.825 121.223 0.296 0.000 2.372 141 L HA 0.788 5.128 4.340 0.000 0.000 0.274 141 L C -1.361 175.529 176.870 0.033 0.000 0.988 141 L CA -0.605 54.134 54.840 -0.168 0.000 0.833 141 L CB 1.211 42.861 42.059 -0.680 0.000 1.236 141 L HN 0.896 nan 8.230 nan 0.000 0.410 142 Y N 2.235 122.317 120.300 -0.364 0.000 2.744 142 Y HA 0.693 5.243 4.550 0.000 0.000 0.330 142 Y C -1.974 173.585 175.900 -0.569 0.000 1.263 142 Y CA -1.866 56.067 58.100 -0.277 0.000 1.065 142 Y CB 1.005 39.454 38.460 -0.018 0.000 1.306 142 Y HN 0.278 nan 8.280 nan 0.000 0.459 143 F N 1.510 121.435 119.950 -0.042 0.000 2.540 143 F HA 0.705 5.232 4.527 0.000 0.000 0.317 143 F C -0.420 175.351 175.800 -0.048 0.000 1.104 143 F CA -1.038 56.857 58.000 -0.176 0.000 0.913 143 F CB 2.429 41.285 39.000 -0.241 0.000 1.170 143 F HN 0.561 nan 8.300 nan 0.000 0.450 144 V N 0.069 120.015 119.914 0.053 0.000 2.876 144 V HA 0.839 4.959 4.120 0.000 0.000 0.312 144 V C -0.132 175.934 176.094 -0.047 0.000 1.085 144 V CA -1.313 60.986 62.300 -0.002 0.000 0.945 144 V CB 1.476 33.246 31.823 -0.088 0.000 1.017 144 V HN 0.899 nan 8.190 nan 0.000 0.428 145 A N 4.386 127.172 122.820 -0.055 0.000 3.051 145 A HA 0.506 4.826 4.320 0.000 0.000 0.257 145 A C 0.384 177.919 177.584 -0.082 0.000 1.785 145 A CA -0.117 51.886 52.037 -0.056 0.000 1.420 145 A CB -1.096 17.879 19.000 -0.043 0.000 1.063 145 A HN 0.852 nan 8.150 nan 0.000 0.630 146 M N 0.627 120.155 119.600 -0.119 0.000 2.247 146 M HA 0.157 4.637 4.480 0.000 0.000 0.326 146 M C -0.256 176.025 176.300 -0.031 0.000 1.134 146 M CA -0.399 54.829 55.300 -0.121 0.000 1.136 146 M CB 0.471 32.912 32.600 -0.265 0.000 1.454 146 M HN 0.326 nan 8.290 nan 0.000 0.467 147 D N 1.258 121.671 120.400 0.022 0.000 2.424 147 D HA 0.116 4.756 4.640 0.000 0.000 0.244 147 D C 0.694 177.086 176.300 0.153 0.000 1.134 147 D CA 0.141 54.179 54.000 0.064 0.000 0.881 147 D CB 1.167 42.006 40.800 0.066 0.000 1.191 147 D HN 0.713 nan 8.370 nan 0.000 0.445 148 A N 3.067 125.955 122.820 0.115 0.000 1.978 148 A HA -0.220 4.100 4.320 0.000 0.000 0.220 148 A C 1.430 179.035 177.584 0.034 0.000 1.170 148 A CA 1.753 53.872 52.037 0.136 0.000 0.636 148 A CB -0.190 18.839 19.000 0.049 0.000 0.810 148 A HN 0.637 nan 8.150 nan 0.000 0.448 149 D N -2.431 117.969 120.400 -0.000 0.000 2.339 149 D HA 0.272 4.912 4.640 0.000 0.000 0.217 149 D C 1.124 177.383 176.300 -0.068 0.000 1.050 149 D CA 0.816 54.767 54.000 -0.082 0.000 0.856 149 D CB -0.642 40.131 40.800 -0.045 0.000 0.922 149 D HN 0.807 nan 8.370 nan 0.000 0.518 150 G N -0.234 108.606 108.800 0.067 0.000 2.148 150 G HA2 -0.143 3.817 3.960 0.000 0.000 0.254 150 G HA3 -0.143 3.817 3.960 0.000 0.000 0.254 150 G C 1.138 176.121 174.900 0.138 0.000 0.981 150 G CA 0.451 45.657 45.100 0.178 0.000 0.670 150 G HN 1.411 nan 8.290 nan 0.000 0.528 151 G N -2.724 106.148 108.800 0.120 0.000 2.184 151 G HA2 -0.117 3.844 3.960 0.000 0.000 0.206 151 G HA3 -0.117 3.844 3.960 0.000 0.000 0.206 151 G C 1.225 176.209 174.900 0.141 0.000 0.995 151 G CA 0.964 46.175 45.100 0.187 0.000 0.651 151 G HN 1.353 nan 8.290 nan 0.000 0.511 152 V N 1.976 121.927 119.914 0.062 0.000 2.407 152 V HA -0.169 3.951 4.120 0.000 0.000 0.248 152 V C 3.013 179.099 176.094 -0.012 0.000 1.055 152 V CA 3.251 65.570 62.300 0.032 0.000 1.049 152 V CB -0.277 31.549 31.823 0.005 0.000 0.662 152 V HN 1.024 nan 8.190 nan 0.000 0.455 153 S N -0.525 115.148 115.700 -0.044 0.000 2.461 153 S HA -0.115 4.356 4.470 0.000 0.000 0.228 153 S C 1.839 176.346 174.600 -0.154 0.000 1.005 153 S CA 0.882 59.035 58.200 -0.078 0.000 0.942 153 S CB -0.260 62.901 63.200 -0.066 0.000 0.776 153 S HN 0.635 nan 8.310 nan 0.000 0.514 154 K N -0.350 119.890 120.400 -0.266 0.000 2.262 154 K HA 0.130 4.450 4.320 0.000 0.000 0.200 154 K C -0.623 175.511 176.600 -0.777 0.000 1.049 154 K CA 0.607 56.533 56.287 -0.601 0.000 0.979 154 K CB 0.085 32.038 32.500 -0.911 0.000 0.773 154 K HN 0.434 nan 8.250 nan 0.000 0.474 155 Y N 0.128 120.417 120.300 -0.018 0.000 2.594 155 Y HA 0.233 4.783 4.550 0.000 0.000 0.338 155 Y C -2.163 173.721 175.900 -0.026 0.000 1.019 155 Y CA -2.910 55.178 58.100 -0.020 0.000 1.306 155 Y CB 1.278 39.729 38.460 -0.015 0.000 1.094 155 Y HN -0.060 nan 8.280 nan 0.000 0.534 156 P HA -0.173 nan 4.420 nan 0.000 0.217 156 P C 0.919 178.234 177.300 0.025 0.000 1.148 156 P CA 1.560 64.678 63.100 0.030 0.000 0.828 156 P CB 0.477 32.186 31.700 0.015 0.000 0.783 157 N N -1.266 117.458 118.700 0.040 0.000 2.494 157 N HA -0.058 4.682 4.740 0.000 0.000 0.182 157 N C 0.523 176.011 175.510 -0.037 0.000 1.076 157 N CA 0.479 53.528 53.050 -0.003 0.000 0.908 157 N CB -0.838 37.648 38.487 -0.002 0.000 0.967 157 N HN 0.123 nan 8.380 nan 0.000 0.449 158 N N 1.826 120.526 118.700 0.000 0.000 2.482 158 N HA 0.049 4.789 4.740 0.000 0.000 0.242 158 N C 0.250 175.735 175.510 -0.041 0.000 1.100 158 N CA 0.123 53.151 53.050 -0.037 0.000 0.946 158 N CB 0.280 38.786 38.487 0.032 0.000 1.227 158 N HN -0.009 nan 8.380 nan 0.000 0.508 159 K N 1.718 122.063 120.400 -0.092 0.000 2.374 159 K HA 0.177 4.497 4.320 0.000 0.000 0.196 159 K C 0.826 177.378 176.600 -0.081 0.000 1.023 159 K CA 0.055 56.296 56.287 -0.076 0.000 1.103 159 K CB 0.706 33.153 32.500 -0.089 0.000 0.848 159 K HN 0.462 nan 8.250 nan 0.000 0.528 160 A N 1.609 124.363 122.820 -0.110 0.000 1.887 160 A HA 0.336 4.656 4.320 0.000 0.000 0.210 160 A C 1.193 178.857 177.584 0.132 0.000 1.221 160 A CA 1.109 53.106 52.037 -0.068 0.000 0.635 160 A CB -0.447 18.400 19.000 -0.255 0.000 0.881 160 A HN 0.343 nan 8.150 nan 0.000 0.456 161 G N -1.582 107.259 108.800 0.068 0.000 2.645 161 G HA2 0.082 4.042 3.960 0.000 0.000 0.246 161 G HA3 0.082 4.042 3.960 0.000 0.000 0.246 161 G C 1.134 176.062 174.900 0.047 0.000 1.322 161 G CA 0.843 45.974 45.100 0.051 0.000 0.898 161 G HN 1.522 nan 8.290 nan 0.000 0.573 162 A N -0.453 122.273 122.820 -0.156 0.000 2.024 162 A HA -0.032 4.288 4.320 0.000 0.000 0.220 162 A C 2.250 179.710 177.584 -0.207 0.000 1.164 162 A CA 2.687 54.431 52.037 -0.489 0.000 0.643 162 A CB -0.448 17.909 19.000 -1.072 0.000 0.806 162 A HN 1.041 nan 8.150 nan 0.000 0.451 163 K N -1.841 118.527 120.400 -0.052 0.000 2.209 163 K HA -0.149 4.171 4.320 0.000 0.000 0.204 163 K C 0.329 176.883 176.600 -0.077 0.000 1.048 163 K CA 1.413 57.708 56.287 0.013 0.000 0.940 163 K CB -0.187 32.338 32.500 0.041 0.000 0.729 163 K HN 0.600 nan 8.250 nan 0.000 0.451 164 Y N -0.479 119.900 120.300 0.131 0.000 2.681 164 Y HA 0.264 4.814 4.550 0.000 0.000 0.267 164 Y C 0.721 176.725 175.900 0.174 0.000 1.166 164 Y CA 0.004 58.191 58.100 0.145 0.000 1.209 164 Y CB 1.227 39.727 38.460 0.067 0.000 1.161 164 Y HN 0.199 nan 8.280 nan 0.000 0.534 165 G N 1.649 110.644 108.800 0.325 0.000 2.273 165 G HA2 -0.314 3.646 3.960 0.000 0.000 0.280 165 G HA3 -0.314 3.646 3.960 0.000 0.000 0.280 165 G C 0.304 175.456 174.900 0.421 0.000 1.047 165 G CA 0.513 45.897 45.100 0.474 0.000 0.869 165 G HN 0.444 nan 8.290 nan 0.000 0.502 166 T N -3.178 111.572 114.554 0.327 0.000 2.874 166 T HA 0.677 5.027 4.350 0.000 0.000 0.281 166 T C 1.511 176.351 174.700 0.233 0.000 0.994 166 T CA 0.584 62.830 62.100 0.243 0.000 1.015 166 T CB 1.958 70.915 68.868 0.150 0.000 1.028 166 T HN 2.092 nan 8.240 nan 0.000 0.523 167 G N -0.285 108.620 108.800 0.174 0.000 2.131 167 G HA2 -0.230 3.730 3.960 0.000 0.000 0.223 167 G HA3 -0.230 3.730 3.960 0.000 0.000 0.223 167 G C -0.216 174.715 174.900 0.053 0.000 0.990 167 G CA -0.035 45.135 45.100 0.116 0.000 0.671 167 G HN 1.079 nan 8.290 nan 0.000 0.521 168 Y N 1.204 121.488 120.300 -0.028 0.000 2.578 168 Y HA 0.371 4.921 4.550 0.000 0.000 0.339 168 Y C 1.015 176.902 175.900 -0.021 0.000 1.231 168 Y CA 0.124 58.191 58.100 -0.055 0.000 1.461 168 Y CB 0.467 38.975 38.460 0.081 0.000 1.323 168 Y HN 0.987 nan 8.280 nan 0.000 0.590 169 c N 4.258 122.353 118.600 -0.841 0.000 3.171 169 c HA 0.806 5.376 4.570 0.000 0.000 0.336 169 c C -1.421 172.138 174.090 -0.884 0.000 1.198 169 c CA -0.643 55.289 56.329 -0.661 0.000 1.319 169 c CB 1.016 43.345 42.510 -0.301 0.000 1.682 169 c HN 0.961 nan 8.230 nan 0.000 0.497 170 D N 0.135 120.217 120.400 -0.531 0.000 2.759 170 D HA 0.471 5.111 4.640 0.000 0.000 0.321 170 D C 0.715 176.894 176.300 -0.202 0.000 1.267 170 D CA 0.223 54.034 54.000 -0.316 0.000 0.933 170 D CB 0.717 41.390 40.800 -0.211 0.000 1.431 170 D HN 0.851 nan 8.370 nan 0.000 0.504 171 S N -1.398 114.190 115.700 -0.186 0.000 2.507 171 S HA -0.148 4.322 4.470 0.000 0.000 0.235 171 S C 1.001 175.518 174.600 -0.137 0.000 0.988 171 S CA 0.563 58.675 58.200 -0.147 0.000 0.944 171 S CB -0.425 62.704 63.200 -0.119 0.000 0.762 171 S HN 0.423 nan 8.310 nan 0.000 0.526 172 Q N 0.183 119.889 119.800 -0.156 0.000 2.403 172 Q HA 0.225 4.565 4.340 0.000 0.000 0.203 172 Q C 0.628 176.575 176.000 -0.089 0.000 0.932 172 Q CA 0.095 55.825 55.803 -0.123 0.000 0.945 172 Q CB -0.976 27.683 28.738 -0.131 0.000 1.045 172 Q HN 0.691 nan 8.270 nan 0.000 0.511 173 c N 2.523 121.069 118.600 -0.090 0.000 3.727 173 c HA -0.115 4.455 4.570 0.000 0.000 0.293 173 c C -2.009 172.063 174.090 -0.030 0.000 1.339 173 c CA -1.014 55.278 56.329 -0.063 0.000 2.150 173 c CB -2.213 40.267 42.510 -0.051 0.000 1.383 173 c HN 0.330 nan 8.230 nan 0.000 0.614 174 P HA 0.129 nan 4.420 nan 0.000 0.267 174 P C 0.471 177.799 177.300 0.047 0.000 1.205 174 P CA 0.723 63.839 63.100 0.026 0.000 0.765 174 P CB 0.511 32.267 31.700 0.094 0.000 0.828 175 R N 1.603 122.122 120.500 0.030 0.000 2.432 175 R HA 0.044 4.384 4.340 0.000 0.000 0.260 175 R C 0.882 177.225 176.300 0.072 0.000 0.935 175 R CA 0.142 56.270 56.100 0.048 0.000 1.080 175 R CB 0.096 30.396 30.300 0.001 0.000 1.155 175 R HN 0.495 nan 8.270 nan 0.000 0.531 176 D N 0.266 120.706 120.400 0.066 0.000 2.340 176 D HA -0.043 4.597 4.640 0.000 0.000 0.220 176 D C 0.212 176.637 176.300 0.208 0.000 1.039 176 D CA 0.106 54.169 54.000 0.106 0.000 0.866 176 D CB 0.099 40.900 40.800 0.002 0.000 0.913 176 D HN 0.119 nan 8.370 nan 0.000 0.523 177 L N 0.782 122.120 121.223 0.191 0.000 2.319 177 L HA 0.226 4.566 4.340 0.000 0.000 0.280 177 L C 1.579 178.522 176.870 0.122 0.000 1.099 177 L CA -0.456 54.479 54.840 0.158 0.000 0.828 177 L CB 1.160 43.325 42.059 0.175 0.000 1.150 177 L HN -0.249 nan 8.230 nan 0.000 0.442 178 K N 2.651 123.044 120.400 -0.012 0.000 2.217 178 K HA 0.067 4.387 4.320 0.000 0.000 0.202 178 K C -0.458 175.815 176.600 -0.546 0.000 1.051 178 K CA 1.076 57.213 56.287 -0.250 0.000 0.952 178 K CB 0.131 32.394 32.500 -0.394 0.000 0.736 178 K HN 0.253 nan 8.250 nan 0.000 0.453 179 F N 0.573 120.551 119.950 0.048 0.000 2.562 179 F HA 0.438 4.965 4.527 0.000 0.000 0.319 179 F C -0.497 175.303 175.800 -0.000 0.000 1.154 179 F CA -0.857 57.143 58.000 -0.001 0.000 0.931 179 F CB 1.403 40.398 39.000 -0.009 0.000 1.198 179 F HN -0.256 nan 8.300 nan 0.000 0.444 180 I N 3.145 123.788 120.570 0.122 0.000 2.534 180 I HA 0.300 4.470 4.170 0.000 0.000 0.288 180 I C -0.937 175.080 176.117 -0.168 0.000 1.077 180 I CA -0.842 60.459 61.300 0.003 0.000 1.051 180 I CB 1.930 39.932 38.000 0.003 0.000 1.234 180 I HN 0.493 nan 8.210 nan 0.000 0.425 181 D N 4.881 125.072 120.400 -0.349 0.000 2.723 181 D HA -0.173 4.467 4.640 0.000 0.000 0.236 181 D C 1.041 176.900 176.300 -0.734 0.000 1.138 181 D CA 1.857 55.245 54.000 -1.021 0.000 0.676 181 D CB -1.038 39.112 40.800 -1.083 0.000 1.069 181 D HN 1.162 nan 8.370 nan 0.000 0.430 182 G N -0.398 108.245 108.800 -0.262 0.000 2.179 182 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 182 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 182 G C -0.009 174.877 174.900 -0.023 0.000 1.010 182 G CA 0.684 45.742 45.100 -0.070 0.000 0.736 182 G HN 0.529 nan 8.290 nan 0.000 0.513 183 E N -0.743 119.460 120.200 0.005 0.000 2.356 183 E HA 0.638 4.988 4.350 0.000 0.000 0.275 183 E C 0.270 176.918 176.600 0.080 0.000 0.904 183 E CA -0.474 55.947 56.400 0.035 0.000 0.757 183 E CB 1.903 31.578 29.700 -0.040 0.000 1.232 183 E HN 0.634 nan 8.360 nan 0.000 0.442 184 A N 1.896 124.678 122.820 -0.065 0.000 2.366 184 A HA 0.172 4.492 4.320 0.000 0.000 0.249 184 A C 0.290 177.590 177.584 -0.475 0.000 1.084 184 A CA -0.259 51.432 52.037 -0.577 0.000 0.794 184 A CB 0.181 18.601 19.000 -0.966 0.000 1.034 184 A HN 0.515 nan 8.150 nan 0.000 0.491 185 N N 1.053 119.430 118.700 -0.538 0.000 3.324 185 N HA 0.188 4.929 4.740 0.000 0.000 0.302 185 N C 0.632 175.980 175.510 -0.271 0.000 1.360 185 N CA 0.413 53.343 53.050 -0.200 0.000 1.190 185 N CB 0.509 39.046 38.487 0.083 0.000 1.462 185 N HN 0.533 nan 8.380 nan 0.000 0.532 186 V N -0.894 118.708 119.914 -0.519 0.000 2.690 186 V HA 0.295 4.415 4.120 0.000 0.000 0.240 186 V C 0.485 176.507 176.094 -0.121 0.000 1.078 186 V CA 0.526 62.476 62.300 -0.583 0.000 1.102 186 V CB -0.280 30.971 31.823 -0.953 0.000 0.800 186 V HN 0.210 nan 8.190 nan 0.000 0.479 187 E N 1.200 121.319 120.200 -0.134 0.000 2.376 187 E HA 0.421 4.771 4.350 0.000 0.000 0.266 187 E C 1.059 177.634 176.600 -0.041 0.000 1.009 187 E CA 0.697 57.059 56.400 -0.062 0.000 0.902 187 E CB 0.534 30.190 29.700 -0.074 0.000 0.972 187 E HN 0.789 nan 8.360 nan 0.000 0.439 188 G N 3.343 112.151 108.800 0.012 0.000 2.179 188 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 188 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 188 G C -0.215 174.736 174.900 0.086 0.000 0.977 188 G CA -0.214 44.891 45.100 0.009 0.000 0.641 188 G HN 0.686 nan 8.290 nan 0.000 0.533 189 W N 1.822 123.122 121.300 -0.000 0.000 2.565 189 W HA 0.548 5.208 4.660 0.000 0.000 0.325 189 W C 0.298 176.857 176.519 0.068 0.000 1.408 189 W CA 0.644 58.040 57.345 0.085 0.000 1.350 189 W CB 0.242 29.863 29.460 0.267 0.000 1.426 189 W HN 0.714 nan 8.180 nan 0.000 0.538 190 Q N 8.112 127.668 119.800 -0.408 0.000 2.394 190 Q HA 0.365 4.705 4.340 0.000 0.000 0.259 190 Q C -2.629 173.075 176.000 -0.494 0.000 1.021 190 Q CA -1.822 53.791 55.803 -0.318 0.000 0.805 190 Q CB 0.786 29.392 28.738 -0.221 0.000 1.226 190 Q HN 0.323 nan 8.270 nan 0.000 0.476 191 P HA 0.185 nan 4.420 nan 0.000 0.269 191 P C -0.175 177.026 177.300 -0.165 0.000 1.209 191 P CA 0.016 62.998 63.100 -0.196 0.000 0.776 191 P CB 1.122 32.814 31.700 -0.012 0.000 0.876 199 G N -0.057 108.713 108.800 -0.050 0.000 2.441 199 G HA2 0.661 4.621 3.960 0.000 0.000 0.294 199 G HA3 0.661 4.621 3.960 0.000 0.000 0.294 199 G C -1.751 172.617 174.900 -0.888 0.000 1.393 199 G CA -0.330 44.438 45.100 -0.553 0.000 0.796 199 G HN 1.730 nan 8.290 nan 0.000 0.494 200 I N -1.461 118.453 120.570 -1.094 0.000 2.785 200 I HA 0.963 5.133 4.170 0.000 0.000 0.302 200 I C 0.192 175.907 176.117 -0.670 0.000 1.069 200 I CA -0.874 60.018 61.300 -0.680 0.000 1.045 200 I CB 2.276 40.084 38.000 -0.319 0.000 1.236 200 I HN 0.944 nan 8.210 nan 0.000 0.429 201 G N 2.814 111.518 108.800 -0.161 0.000 3.013 201 G HA2 0.289 4.249 3.960 0.000 0.000 0.278 201 G HA3 0.289 4.249 3.960 0.000 0.000 0.278 201 G C -0.339 174.539 174.900 -0.038 0.000 1.353 201 G CA -0.327 44.817 45.100 0.072 0.000 1.043 201 G HN 0.668 nan 8.290 nan 0.000 0.523 202 D N -0.507 119.815 120.400 -0.129 0.000 2.144 202 D HA -0.011 4.629 4.640 0.000 0.000 0.200 202 D C 0.328 176.555 176.300 -0.122 0.000 0.978 202 D CA 1.049 54.925 54.000 -0.207 0.000 0.833 202 D CB -0.001 40.570 40.800 -0.381 0.000 0.961 202 D HN 0.239 nan 8.370 nan 0.000 0.470 203 H N -0.805 118.285 119.070 0.032 0.000 2.487 203 H HA 0.606 5.162 4.556 0.000 0.000 0.333 203 H C 0.783 176.123 175.328 0.021 0.000 1.114 203 H CA -0.327 55.729 56.048 0.014 0.000 1.310 203 H CB 1.370 31.130 29.762 -0.004 0.000 1.462 203 H HN -0.063 nan 8.280 nan 0.000 0.516 204 G N -0.286 108.595 108.800 0.136 0.000 2.714 204 G HA2 0.418 4.378 3.960 0.000 0.000 0.292 204 G HA3 0.418 4.378 3.960 0.000 0.000 0.292 204 G C -1.016 173.902 174.900 0.030 0.000 1.308 204 G CA -0.649 44.492 45.100 0.068 0.000 0.964 204 G HN 0.504 nan 8.290 nan 0.000 0.484 205 S N -1.044 114.658 115.700 0.002 0.000 2.774 205 S HA 0.487 4.957 4.470 0.000 0.000 0.297 205 S C -0.596 173.952 174.600 -0.086 0.000 1.143 205 S CA -0.594 57.584 58.200 -0.037 0.000 1.090 205 S CB -0.115 63.070 63.200 -0.025 0.000 1.019 205 S HN 0.723 nan 8.310 nan 0.000 0.482 206 c N 4.335 122.887 118.600 -0.081 0.000 2.358 206 c HA 0.929 5.499 4.570 0.000 0.000 0.342 206 c C 0.373 174.398 174.090 -0.107 0.000 1.234 206 c CA -0.760 55.511 56.329 -0.098 0.000 1.969 206 c CB -0.775 41.691 42.510 -0.073 0.000 2.346 206 c HN 1.031 nan 8.230 nan 0.000 0.525 207 c N 0.825 119.350 118.600 -0.126 0.000 3.312 207 c HA 0.854 5.425 4.570 0.000 0.000 0.332 207 c C 0.026 174.069 174.090 -0.079 0.000 1.340 207 c CA -0.953 55.317 56.329 -0.098 0.000 1.265 207 c CB 0.346 42.791 42.510 -0.109 0.000 1.563 207 c HN 1.339 nan 8.230 nan 0.000 0.471 208 A N 0.717 123.512 122.820 -0.042 0.000 2.555 208 A HA 0.479 4.799 4.320 0.000 0.000 0.233 208 A C 0.125 177.720 177.584 0.018 0.000 1.060 208 A CA 0.714 52.752 52.037 0.002 0.000 0.759 208 A CB 0.054 19.062 19.000 0.013 0.000 0.995 208 A HN 1.128 nan 8.150 nan 0.000 0.506 209 E N 1.375 121.621 120.200 0.077 0.000 2.274 209 E HA 0.472 4.822 4.350 0.000 0.000 0.269 209 E C -1.516 175.211 176.600 0.212 0.000 0.891 209 E CA -0.633 55.832 56.400 0.109 0.000 0.784 209 E CB 1.156 30.846 29.700 -0.016 0.000 1.225 209 E HN 0.607 nan 8.360 nan 0.000 0.412 210 M N 4.845 124.592 119.600 0.245 0.000 2.055 210 M HA 0.308 4.788 4.480 0.000 0.000 0.346 210 M C -1.527 174.991 176.300 0.363 0.000 1.074 210 M CA -0.383 55.094 55.300 0.295 0.000 1.009 210 M CB 0.875 33.600 32.600 0.209 0.000 1.423 210 M HN 0.253 nan 8.290 nan 0.000 0.410 211 D N 5.113 125.721 120.400 0.347 0.000 2.453 211 D HA 0.089 4.729 4.640 0.000 0.000 0.223 211 D C 1.096 177.614 176.300 0.363 0.000 1.183 211 D CA 0.042 54.232 54.000 0.316 0.000 0.933 211 D CB 0.975 41.908 40.800 0.221 0.000 1.038 211 D HN 0.462 nan 8.370 nan 0.000 0.513 212 V N 1.954 122.117 119.914 0.415 0.000 2.427 212 V HA -0.081 4.039 4.120 0.000 0.000 0.248 212 V C 0.698 177.147 176.094 0.593 0.000 1.051 212 V CA 0.842 63.426 62.300 0.473 0.000 1.048 212 V CB 0.103 32.206 31.823 0.466 0.000 0.666 212 V HN 0.614 nan 8.190 nan 0.000 0.456 213 W N 0.608 122.083 121.300 0.292 0.000 3.423 213 W HA 0.431 5.091 4.660 0.000 0.000 0.330 213 W C -1.649 175.039 176.519 0.282 0.000 1.102 213 W CA -0.625 56.916 57.345 0.327 0.000 1.261 213 W CB 1.504 31.252 29.460 0.480 0.000 1.283 213 W HN 0.064 nan 8.180 nan 0.000 0.447 214 E N 3.954 124.034 120.200 -0.200 0.000 2.260 214 E HA 0.700 5.050 4.350 0.000 0.000 0.266 214 E C -0.846 175.436 176.600 -0.531 0.000 0.887 214 E CA -0.458 55.824 56.400 -0.197 0.000 0.777 214 E CB 2.196 31.942 29.700 0.077 0.000 1.205 214 E HN 0.440 nan 8.360 nan 0.000 0.414 215 A N 3.094 125.613 122.820 -0.502 0.000 2.597 215 A HA 0.636 4.956 4.320 0.000 0.000 0.292 215 A C -1.382 176.073 177.584 -0.214 0.000 1.057 215 A CA -0.908 50.825 52.037 -0.507 0.000 0.674 215 A CB 1.338 19.775 19.000 -0.938 0.000 1.278 215 A HN 0.692 nan 8.150 nan 0.000 0.416 216 N N -1.013 117.615 118.700 -0.119 0.000 3.513 216 N HA 0.468 5.208 4.740 0.000 0.000 0.351 216 N C 0.654 176.218 175.510 0.091 0.000 1.624 216 N CA 0.115 53.134 53.050 -0.052 0.000 0.712 216 N CB 0.176 38.559 38.487 -0.174 0.000 2.106 216 N HN 0.704 nan 8.380 nan 0.000 0.649 217 S N -1.292 114.412 115.700 0.008 0.000 2.561 217 S HA 0.111 4.581 4.470 0.000 0.000 0.225 217 S C 1.027 175.594 174.600 -0.055 0.000 0.977 217 S CA 0.219 58.411 58.200 -0.014 0.000 0.926 217 S CB -0.467 62.689 63.200 -0.072 0.000 0.769 217 S HN 0.467 nan 8.310 nan 0.000 0.533 218 I N 0.485 121.052 120.570 -0.006 0.000 2.947 218 I HA 0.300 4.470 4.170 0.000 0.000 0.263 218 I C 0.672 176.860 176.117 0.119 0.000 1.130 218 I CA 0.363 61.645 61.300 -0.029 0.000 1.448 218 I CB -1.009 36.915 38.000 -0.128 0.000 1.222 218 I HN 0.201 nan 8.210 nan 0.000 0.453 219 S N 1.550 117.314 115.700 0.107 0.000 2.588 219 S HA 0.529 4.999 4.470 0.000 0.000 0.275 219 S C -0.649 173.801 174.600 -0.251 0.000 1.130 219 S CA -0.759 57.432 58.200 -0.015 0.000 0.855 219 S CB 2.851 65.941 63.200 -0.183 0.000 1.116 219 S HN 0.426 nan 8.310 nan 0.000 0.472 220 N N -0.046 118.351 118.700 -0.505 0.000 2.455 220 N HA 0.787 5.527 4.740 0.000 0.000 0.278 220 N C -1.621 173.723 175.510 -0.277 0.000 1.291 220 N CA -0.838 51.851 53.050 -0.603 0.000 0.780 220 N CB 2.135 39.985 38.487 -1.062 0.000 1.520 220 N HN 0.664 nan 8.380 nan 0.000 0.486 221 A N 0.324 123.033 122.820 -0.185 0.000 2.520 221 A HA 0.598 4.918 4.320 0.000 0.000 0.298 221 A C -1.534 176.126 177.584 0.126 0.000 1.051 221 A CA -0.740 51.326 52.037 0.049 0.000 0.690 221 A CB 1.717 20.795 19.000 0.130 0.000 1.281 221 A HN 0.573 nan 8.150 nan 0.000 0.402 222 V N 1.486 121.522 119.914 0.204 0.000 2.495 222 V HA 0.877 4.997 4.120 0.000 0.000 0.298 222 V C -0.878 175.342 176.094 0.211 0.000 1.031 222 V CA 0.158 62.596 62.300 0.231 0.000 0.871 222 V CB 1.839 33.787 31.823 0.209 0.000 0.988 222 V HN 1.053 nan 8.190 nan 0.000 0.432 223 T N 8.625 123.315 114.554 0.228 0.000 3.348 223 T HA 0.369 4.719 4.350 0.000 0.000 0.328 223 T C -3.042 171.798 174.700 0.234 0.000 0.913 223 T CA -0.598 61.606 62.100 0.173 0.000 1.043 223 T CB 1.615 70.593 68.868 0.184 0.000 1.021 223 T HN 0.651 nan 8.240 nan 0.000 0.461 224 P HA 0.230 nan 4.420 nan 0.000 0.275 224 P C -0.894 176.564 177.300 0.265 0.000 1.227 224 P CA -0.295 62.987 63.100 0.303 0.000 0.781 224 P CB 0.692 32.604 31.700 0.353 0.000 0.906 225 H N 3.272 122.484 119.070 0.236 0.000 2.953 225 H HA 0.279 4.835 4.556 0.000 0.000 0.290 225 H C -2.177 173.228 175.328 0.129 0.000 1.113 225 H CA -1.753 54.416 56.048 0.201 0.000 1.454 225 H CB 1.939 31.761 29.762 0.100 0.000 1.525 225 H HN 0.360 nan 8.280 nan 0.000 0.505 226 P HA 0.183 nan 4.420 nan 0.000 0.276 226 P C -0.219 177.095 177.300 0.024 0.000 1.244 226 P CA -0.312 62.828 63.100 0.066 0.000 0.801 226 P CB 1.369 33.038 31.700 -0.050 0.000 1.006 227 c N 1.042 119.635 118.600 -0.011 0.000 2.779 227 c HA 0.284 4.854 4.570 0.000 0.000 0.314 227 c C 1.828 175.915 174.090 -0.004 0.000 1.231 227 c CA -0.322 55.968 56.329 -0.064 0.000 1.652 227 c CB 1.409 43.877 42.510 -0.069 0.000 2.198 227 c HN 0.586 nan 8.230 nan 0.000 0.483 228 D N 0.779 121.192 120.400 0.021 0.000 2.104 228 D HA -0.069 4.571 4.640 0.000 0.000 0.194 228 D C 0.665 176.978 176.300 0.022 0.000 0.994 228 D CA 1.537 55.575 54.000 0.063 0.000 0.830 228 D CB -0.106 40.752 40.800 0.097 0.000 0.959 228 D HN 0.558 nan 8.370 nan 0.000 0.452 229 T N 3.464 118.020 114.554 0.004 0.000 2.743 229 T HA 0.317 4.667 4.350 0.000 0.000 0.292 229 T C -2.416 172.276 174.700 -0.014 0.000 0.972 229 T CA -1.381 60.716 62.100 -0.004 0.000 0.967 229 T CB 2.209 71.074 68.868 -0.005 0.000 0.926 229 T HN -0.017 nan 8.240 nan 0.000 0.459 230 P HA 0.464 nan 4.420 nan 0.000 0.276 230 P C 0.283 177.570 177.300 -0.022 0.000 1.230 230 P CA 0.246 63.336 63.100 -0.017 0.000 0.776 230 P CB 0.735 32.427 31.700 -0.013 0.000 0.888 231 G N 1.417 110.198 108.800 -0.031 0.000 2.675 231 G HA2 -0.122 3.838 3.960 0.000 0.000 0.686 231 G HA3 -0.122 3.838 3.960 0.000 0.000 0.686 231 G C -0.906 173.975 174.900 -0.031 0.000 1.215 231 G CA -0.848 44.234 45.100 -0.031 0.000 0.777 231 G HN 0.713 nan 8.290 nan 0.000 0.638 232 Q N 0.325 120.108 119.800 -0.028 0.000 2.289 232 Q HA 0.481 4.821 4.340 0.000 0.000 0.273 232 Q C -0.160 175.837 176.000 -0.006 0.000 1.029 232 Q CA 0.800 56.586 55.803 -0.029 0.000 0.896 232 Q CB 0.513 29.242 28.738 -0.016 0.000 1.182 232 Q HN 0.640 nan 8.270 nan 0.000 0.385 233 T N 4.039 118.581 114.554 -0.021 0.000 2.903 233 T HA 0.435 4.786 4.350 0.000 0.000 0.299 233 T C -0.611 174.074 174.700 -0.025 0.000 1.093 233 T CA -0.562 61.531 62.100 -0.011 0.000 1.002 233 T CB 1.293 70.152 68.868 -0.016 0.000 1.127 233 T HN 0.660 nan 8.240 nan 0.000 0.488 234 M N 2.714 122.297 119.600 -0.028 0.000 2.277 234 M HA 0.585 5.065 4.480 0.000 0.000 0.350 234 M C -0.229 176.053 176.300 -0.031 0.000 1.180 234 M CA -0.425 54.844 55.300 -0.051 0.000 1.103 234 M CB 0.279 32.813 32.600 -0.110 0.000 1.577 234 M HN 0.934 nan 8.290 nan 0.000 0.459 235 c N 1.031 119.626 118.600 -0.008 0.000 3.028 235 c HA 1.015 5.585 4.570 0.000 0.000 0.338 235 c C -0.620 173.515 174.090 0.074 0.000 1.366 235 c CA -0.702 55.638 56.329 0.018 0.000 1.610 235 c CB 1.399 43.915 42.510 0.011 0.000 2.063 235 c HN 0.919 nan 8.230 nan 0.000 0.463 236 S N -0.319 115.431 115.700 0.083 0.000 2.536 236 S HA 0.845 5.315 4.470 0.000 0.000 0.271 236 S C 0.079 174.718 174.600 0.064 0.000 1.134 236 S CA 0.325 58.605 58.200 0.134 0.000 0.897 236 S CB 0.778 64.088 63.200 0.184 0.000 1.094 236 S HN 2.971 nan 8.310 nan 0.000 0.473 237 G N 2.375 111.199 108.800 0.039 0.000 2.575 237 G HA2 -0.264 3.697 3.960 0.000 0.000 0.267 237 G HA3 -0.264 3.697 3.960 0.000 0.000 0.267 237 G C -0.013 174.889 174.900 0.004 0.000 1.264 237 G CA 0.631 45.736 45.100 0.007 0.000 0.935 237 G HN 0.744 nan 8.290 nan 0.000 0.568 238 D N 0.670 121.070 120.400 -0.000 0.000 2.348 238 D HA 0.052 4.692 4.640 0.000 0.000 0.216 238 D C 1.923 178.227 176.300 0.007 0.000 0.970 238 D CA 0.972 54.971 54.000 -0.002 0.000 0.889 238 D CB -0.172 40.627 40.800 -0.001 0.000 0.912 238 D HN 0.401 nan 8.370 nan 0.000 0.524 239 D N -0.476 119.934 120.400 0.016 0.000 2.309 239 D HA -0.095 4.545 4.640 0.000 0.000 0.212 239 D C 1.802 178.112 176.300 0.018 0.000 0.968 239 D CA 0.284 54.298 54.000 0.023 0.000 0.882 239 D CB -0.114 40.703 40.800 0.028 0.000 0.918 239 D HN 0.246 nan 8.370 nan 0.000 0.503 240 c N 0.324 118.929 118.600 0.009 0.000 2.425 240 c HA 0.140 4.710 4.570 0.000 0.000 0.277 240 c C 1.744 175.823 174.090 -0.018 0.000 1.280 240 c CA 0.791 57.118 56.329 -0.003 0.000 1.744 240 c CB -1.172 41.336 42.510 -0.004 0.000 1.989 240 c HN 0.586 nan 8.230 nan 0.000 0.491 241 G N -0.603 108.186 108.800 -0.019 0.000 2.645 241 G HA2 0.332 4.293 3.960 0.000 0.000 0.246 241 G HA3 0.332 4.293 3.960 0.000 0.000 0.246 241 G C 0.275 175.135 174.900 -0.067 0.000 1.322 241 G CA -0.215 44.861 45.100 -0.040 0.000 0.898 241 G HN 2.024 nan 8.290 nan 0.000 0.573 242 G N -3.604 105.134 108.800 -0.103 0.000 2.760 242 G HA2 0.178 4.138 3.960 0.000 0.000 0.246 242 G HA3 0.178 4.138 3.960 0.000 0.000 0.246 242 G C 1.019 175.854 174.900 -0.109 0.000 1.359 242 G CA 0.841 45.875 45.100 -0.110 0.000 0.861 242 G HN 2.072 nan 8.290 nan 0.000 0.541 243 T N -0.169 114.327 114.554 -0.097 0.000 2.653 243 T HA -0.184 4.166 4.350 0.000 0.000 0.268 243 T C 2.459 177.131 174.700 -0.046 0.000 1.035 243 T CA 4.181 66.240 62.100 -0.068 0.000 1.154 243 T CB -0.740 68.098 68.868 -0.049 0.000 0.862 243 T HN 1.562 nan 8.240 nan 0.000 0.441 244 Y N 1.149 121.419 120.300 -0.049 0.000 2.448 244 Y HA 0.389 4.939 4.550 0.000 0.000 0.289 244 Y C 2.025 177.895 175.900 -0.049 0.000 1.114 244 Y CA 0.001 58.072 58.100 -0.048 0.000 1.235 244 Y CB -0.545 37.881 38.460 -0.057 0.000 1.045 244 Y HN 0.289 nan 8.280 nan 0.000 0.554 245 S N 0.426 116.096 115.700 -0.049 0.000 2.624 245 S HA 0.085 4.555 4.470 0.000 0.000 0.263 245 S C 0.611 175.188 174.600 -0.039 0.000 1.287 245 S CA 0.011 58.186 58.200 -0.041 0.000 0.990 245 S CB 0.749 63.927 63.200 -0.036 0.000 0.950 245 S HN 0.655 nan 8.310 nan 0.000 0.561 246 N N 1.224 119.908 118.700 -0.027 0.000 2.109 246 N HA -0.044 4.697 4.740 0.000 0.000 0.188 246 N C 0.097 175.596 175.510 -0.018 0.000 1.034 246 N CA 1.094 54.134 53.050 -0.017 0.000 0.846 246 N CB -0.067 38.415 38.487 -0.007 0.000 1.010 246 N HN 0.590 nan 8.380 nan 0.000 0.425 247 D N -0.078 120.314 120.400 -0.014 0.000 2.428 247 D HA 0.197 4.837 4.640 0.000 0.000 0.221 247 D C 0.820 177.077 176.300 -0.073 0.000 1.123 247 D CA -0.182 53.812 54.000 -0.010 0.000 0.869 247 D CB 0.491 41.316 40.800 0.040 0.000 1.032 247 D HN -0.037 nan 8.370 nan 0.000 0.506 248 R N 2.458 122.842 120.500 -0.194 0.000 2.190 248 R HA -0.270 4.070 4.340 0.000 0.000 0.255 248 R C 0.535 176.598 176.300 -0.395 0.000 1.143 248 R CA 1.858 57.707 56.100 -0.418 0.000 0.965 248 R CB -0.146 29.648 30.300 -0.843 0.000 0.889 248 R HN 0.552 nan 8.270 nan 0.000 0.448 249 Y N -1.461 118.873 120.300 0.056 0.000 2.532 249 Y HA 0.322 4.872 4.550 0.000 0.000 0.283 249 Y C 1.315 177.265 175.900 0.083 0.000 1.181 249 Y CA 0.041 58.190 58.100 0.082 0.000 1.256 249 Y CB 0.317 38.825 38.460 0.080 0.000 1.112 249 Y HN 0.131 nan 8.280 nan 0.000 0.521 250 A N -0.247 122.654 122.820 0.134 0.000 2.169 250 A HA 0.323 4.643 4.320 0.000 0.000 0.212 250 A C 1.675 179.319 177.584 0.100 0.000 1.153 250 A CA 0.845 52.945 52.037 0.106 0.000 0.756 250 A CB -0.552 18.483 19.000 0.059 0.000 0.813 250 A HN 0.401 nan 8.150 nan 0.000 0.471 251 G N -1.592 107.264 108.800 0.092 0.000 2.671 251 G HA2 0.376 4.337 3.960 0.000 0.000 0.275 251 G HA3 0.376 4.337 3.960 0.000 0.000 0.275 251 G C 0.813 175.754 174.900 0.069 0.000 1.368 251 G CA 0.616 45.747 45.100 0.051 0.000 1.044 251 G HN 0.382 nan 8.290 nan 0.000 0.543 252 T N -3.668 110.869 114.554 -0.028 0.000 3.107 252 T HA 0.217 4.567 4.350 0.000 0.000 0.249 252 T C 0.438 174.838 174.700 -0.501 0.000 1.096 252 T CA -0.213 61.834 62.100 -0.089 0.000 1.012 252 T CB -0.652 68.201 68.868 -0.024 0.000 0.977 252 T HN 0.314 nan 8.240 nan 0.000 0.527 253 c N 1.664 119.950 118.600 -0.523 0.000 2.614 253 c HA 0.639 5.209 4.570 0.000 0.000 0.320 253 c C -0.210 173.655 174.090 -0.375 0.000 1.200 253 c CA -1.152 54.889 56.329 -0.479 0.000 1.700 253 c CB 1.549 43.950 42.510 -0.182 0.000 2.275 253 c HN 0.524 nan 8.230 nan 0.000 0.492 254 D N 2.499 122.832 120.400 -0.111 0.000 2.352 254 D HA 0.233 4.873 4.640 0.000 0.000 0.245 254 D C -1.249 175.210 176.300 0.265 0.000 1.224 254 D CA -1.697 52.422 54.000 0.198 0.000 0.879 254 D CB 0.994 41.975 40.800 0.302 0.000 1.057 254 D HN 0.264 nan 8.370 nan 0.000 0.491 255 P HA 0.013 nan 4.420 nan 0.000 0.231 255 P C 0.116 177.552 177.300 0.226 0.000 1.168 255 P CA 0.523 63.715 63.100 0.153 0.000 0.779 255 P CB 0.766 32.450 31.700 -0.027 0.000 0.844 256 D N -0.479 120.047 120.400 0.210 0.000 2.414 256 D HA 0.208 4.848 4.640 0.000 0.000 0.237 256 D C 1.326 177.545 176.300 -0.136 0.000 0.975 256 D CA 1.378 55.441 54.000 0.105 0.000 0.917 256 D CB -0.512 40.390 40.800 0.170 0.000 1.061 256 D HN 0.145 nan 8.370 nan 0.000 0.480 257 G N 0.038 108.725 108.800 -0.188 0.000 2.795 257 G HA2 -0.232 3.728 3.960 0.000 0.000 0.664 257 G HA3 -0.232 3.728 3.960 0.000 0.000 0.664 257 G C -0.201 174.551 174.900 -0.246 0.000 1.381 257 G CA -0.430 44.437 45.100 -0.388 0.000 0.853 257 G HN 0.505 nan 8.290 nan 0.000 0.545 258 c N 2.534 120.878 118.600 -0.426 0.000 2.225 258 c HA 0.640 5.211 4.570 0.000 0.000 0.328 258 c C 0.282 174.307 174.090 -0.108 0.000 1.187 258 c CA -0.262 55.790 56.329 -0.462 0.000 1.665 258 c CB -1.438 40.381 42.510 -1.152 0.000 2.253 258 c HN 0.837 nan 8.230 nan 0.000 0.497 259 D N 3.739 124.175 120.400 0.059 0.000 2.198 259 D HA 0.308 4.948 4.640 0.000 0.000 0.247 259 D C -1.110 175.366 176.300 0.293 0.000 1.010 259 D CA -0.460 53.637 54.000 0.162 0.000 0.880 259 D CB 1.600 42.490 40.800 0.150 0.000 1.209 259 D HN 0.532 nan 8.370 nan 0.000 0.451 260 F N 1.766 121.787 119.950 0.118 0.000 2.513 260 F HA 0.210 4.737 4.527 0.000 0.000 0.358 260 F C -0.670 175.184 175.800 0.090 0.000 1.118 260 F CA -0.929 57.131 58.000 0.100 0.000 1.037 260 F CB 1.181 40.124 39.000 -0.095 0.000 1.276 260 F HN 0.264 nan 8.300 nan 0.000 0.446 261 N N 8.051 126.864 118.700 0.187 0.000 2.446 261 N HA 0.362 5.102 4.740 0.000 0.000 0.265 261 N C -2.109 173.488 175.510 0.146 0.000 0.975 261 N CA -2.706 50.445 53.050 0.168 0.000 0.928 261 N CB 1.993 40.539 38.487 0.099 0.000 1.160 261 N HN 0.198 nan 8.380 nan 0.000 0.495 262 P HA -0.162 nan 4.420 nan 0.000 0.219 262 P C 0.950 178.353 177.300 0.173 0.000 1.146 262 P CA 1.099 64.352 63.100 0.256 0.000 0.808 262 P CB 0.158 32.052 31.700 0.324 0.000 0.779 263 Y N 1.134 121.482 120.300 0.081 0.000 2.153 263 Y HA -0.063 4.487 4.550 0.000 0.000 0.289 263 Y C 2.874 178.779 175.900 0.009 0.000 1.127 263 Y CA 1.493 59.624 58.100 0.053 0.000 1.131 263 Y CB -0.581 37.904 38.460 0.041 0.000 0.995 263 Y HN -0.286 nan 8.280 nan 0.000 0.505 264 R N -0.580 120.056 120.500 0.226 0.000 2.159 264 R HA -0.164 4.176 4.340 0.000 0.000 0.237 264 R C 1.339 177.673 176.300 0.056 0.000 1.131 264 R CA 1.453 57.603 56.100 0.083 0.000 0.982 264 R CB -0.077 30.238 30.300 0.026 0.000 0.868 264 R HN 0.320 nan 8.270 nan 0.000 0.453 265 M N -1.179 118.426 119.600 0.009 0.000 2.561 265 M HA 0.186 4.666 4.480 0.000 0.000 0.238 265 M C 1.036 177.328 176.300 -0.012 0.000 1.131 265 M CA 0.657 55.944 55.300 -0.022 0.000 1.046 265 M CB 0.561 32.966 32.600 -0.326 0.000 1.532 265 M HN 0.395 nan 8.290 nan 0.000 0.497 266 G N 0.894 109.666 108.800 -0.047 0.000 2.184 266 G HA2 -0.200 3.761 3.960 0.000 0.000 0.206 266 G HA3 -0.200 3.761 3.960 0.000 0.000 0.206 266 G C 0.105 174.937 174.900 -0.114 0.000 0.995 266 G CA -0.276 44.771 45.100 -0.088 0.000 0.651 266 G HN 0.422 nan 8.290 nan 0.000 0.511 267 N N 1.350 120.000 118.700 -0.084 0.000 2.527 267 N HA 0.398 5.138 4.740 0.000 0.000 0.236 267 N C 1.434 176.900 175.510 -0.074 0.000 0.999 267 N CA 0.571 53.596 53.050 -0.042 0.000 0.935 267 N CB 1.080 39.588 38.487 0.035 0.000 1.132 267 N HN 0.332 nan 8.380 nan 0.000 0.511 268 T N -1.430 113.016 114.554 -0.179 0.000 3.086 268 T HA -0.009 4.341 4.350 0.000 0.000 0.250 268 T C 1.250 175.968 174.700 0.029 0.000 1.074 268 T CA 0.255 62.211 62.100 -0.239 0.000 0.988 268 T CB -0.118 68.466 68.868 -0.472 0.000 0.988 268 T HN 0.306 nan 8.240 nan 0.000 0.530 269 S N -0.525 115.206 115.700 0.053 0.000 2.557 269 S HA 0.300 4.770 4.470 0.000 0.000 0.223 269 S C 1.069 175.733 174.600 0.107 0.000 0.969 269 S CA -0.788 57.452 58.200 0.067 0.000 0.927 269 S CB -0.653 62.569 63.200 0.037 0.000 0.806 269 S HN 0.381 nan 8.310 nan 0.000 0.489 270 F N 1.778 121.741 119.950 0.023 0.000 2.179 270 F HA 0.381 4.908 4.527 0.000 0.000 0.292 270 F C 0.342 176.144 175.800 0.004 0.000 1.089 270 F CA -0.062 57.944 58.000 0.010 0.000 1.295 270 F CB 0.129 39.148 39.000 0.032 0.000 1.041 270 F HN 0.323 nan 8.300 nan 0.000 0.487 271 Y N 0.781 120.998 120.300 -0.139 0.000 2.338 271 Y HA 0.569 5.119 4.550 0.000 0.000 0.333 271 Y C -0.180 175.643 175.900 -0.128 0.000 0.968 271 Y CA -0.103 57.831 58.100 -0.278 0.000 1.123 271 Y CB 1.124 39.517 38.460 -0.111 0.000 1.165 271 Y HN 0.320 nan 8.280 nan 0.000 0.452 272 G N 4.858 113.266 108.800 -0.653 0.000 2.356 272 G HA2 0.137 4.097 3.960 0.000 0.000 0.288 272 G HA3 0.137 4.097 3.960 0.000 0.000 0.288 272 G C -3.440 171.247 174.900 -0.355 0.000 1.302 272 G CA -1.262 43.577 45.100 -0.436 0.000 0.887 272 G HN 0.337 nan 8.290 nan 0.000 0.521 273 P HA 0.369 nan 4.420 nan 0.000 0.267 273 P C 1.006 178.222 177.300 -0.140 0.000 1.209 273 P CA 1.896 64.897 63.100 -0.165 0.000 0.763 273 P CB 0.942 32.573 31.700 -0.115 0.000 0.816 274 G N 1.784 110.503 108.800 -0.136 0.000 2.189 274 G HA2 -0.254 3.706 3.960 0.000 0.000 0.267 274 G HA3 -0.254 3.706 3.960 0.000 0.000 0.267 274 G C 0.540 175.363 174.900 -0.128 0.000 0.975 274 G CA 0.184 45.217 45.100 -0.111 0.000 0.644 274 G HN 0.448 nan 8.290 nan 0.000 0.537 275 K N -0.143 120.146 120.400 -0.185 0.000 2.583 275 K HA 0.518 4.838 4.320 0.000 0.000 0.266 275 K C 2.089 178.545 176.600 -0.240 0.000 1.037 275 K CA -0.354 55.818 56.287 -0.192 0.000 0.996 275 K CB -0.045 32.324 32.500 -0.219 0.000 1.307 275 K HN 0.005 nan 8.250 nan 0.000 0.502 276 I N 0.768 121.172 120.570 -0.277 0.000 2.113 276 I HA -0.162 4.008 4.170 0.000 0.000 0.238 276 I C 1.183 177.024 176.117 -0.460 0.000 1.070 276 I CA 1.124 62.246 61.300 -0.296 0.000 1.332 276 I CB -0.384 37.473 38.000 -0.238 0.000 1.044 276 I HN 0.270 nan 8.210 nan 0.000 0.402 277 I N 2.911 122.996 120.570 -0.808 0.000 2.308 277 I HA 0.083 4.253 4.170 0.000 0.000 0.293 277 I C 0.035 175.741 176.117 -0.685 0.000 1.078 277 I CA -0.436 60.376 61.300 -0.813 0.000 1.292 277 I CB -0.213 37.103 38.000 -1.139 0.000 1.423 277 I HN 0.066 nan 8.210 nan 0.000 0.493 278 D N 5.175 125.304 120.400 -0.451 0.000 2.380 278 D HA 0.082 4.722 4.640 0.000 0.000 0.230 278 D C 1.268 177.417 176.300 -0.251 0.000 1.154 278 D CA -0.219 53.594 54.000 -0.312 0.000 0.859 278 D CB 1.058 41.751 40.800 -0.178 0.000 1.045 278 D HN 0.605 nan 8.370 nan 0.000 0.495 279 T N -0.413 113.955 114.554 -0.311 0.000 3.160 279 T HA -0.093 4.257 4.350 0.000 0.000 0.257 279 T C 1.493 176.175 174.700 -0.029 0.000 1.147 279 T CA 0.766 62.783 62.100 -0.138 0.000 1.064 279 T CB -0.459 68.241 68.868 -0.280 0.000 0.949 279 T HN 0.365 nan 8.240 nan 0.000 0.526 280 T N -1.351 113.170 114.554 -0.056 0.000 3.118 280 T HA 0.244 4.594 4.350 0.000 0.000 0.260 280 T C 0.488 175.193 174.700 0.008 0.000 1.139 280 T CA 0.029 62.111 62.100 -0.029 0.000 1.085 280 T CB -0.155 68.688 68.868 -0.042 0.000 0.934 280 T HN 0.427 nan 8.240 nan 0.000 0.518 281 K N 1.083 121.509 120.400 0.045 0.000 2.444 281 K HA 0.566 4.886 4.320 0.000 0.000 0.252 281 K C -3.147 173.540 176.600 0.144 0.000 0.993 281 K CA -2.716 53.612 56.287 0.069 0.000 0.847 281 K CB 1.788 34.320 32.500 0.053 0.000 1.340 281 K HN -0.120 nan 8.250 nan 0.000 0.446 282 P HA 0.098 nan 4.420 nan 0.000 0.269 282 P C -1.192 176.188 177.300 0.133 0.000 1.215 282 P CA -0.054 63.055 63.100 0.014 0.000 0.780 282 P CB 0.270 31.961 31.700 -0.015 0.000 0.898 283 F N -2.416 117.531 119.950 -0.004 0.000 2.715 283 F HA 0.695 5.222 4.527 0.000 0.000 0.318 283 F C -0.949 174.798 175.800 -0.088 0.000 1.141 283 F CA -0.981 57.009 58.000 -0.017 0.000 0.950 283 F CB 0.655 39.669 39.000 0.022 0.000 1.374 283 F HN -0.017 nan 8.300 nan 0.000 0.477 284 T N 1.683 116.279 114.554 0.070 0.000 2.824 284 T HA 0.651 5.001 4.350 0.000 0.000 0.280 284 T C -0.986 173.606 174.700 -0.180 0.000 0.995 284 T CA -0.577 61.425 62.100 -0.162 0.000 1.009 284 T CB 1.671 70.478 68.868 -0.102 0.000 0.955 284 T HN 0.558 nan 8.240 nan 0.000 0.452 285 V N 3.901 123.456 119.914 -0.599 0.000 2.448 285 V HA 0.549 4.669 4.120 0.000 0.000 0.295 285 V C -0.362 175.404 176.094 -0.546 0.000 1.025 285 V CA -0.716 61.184 62.300 -0.667 0.000 0.859 285 V CB 1.722 32.850 31.823 -1.158 0.000 0.988 285 V HN 0.693 nan 8.190 nan 0.000 0.431 286 V N 3.713 123.394 119.914 -0.389 0.000 2.540 286 V HA 0.671 4.791 4.120 0.000 0.000 0.302 286 V C -0.082 175.925 176.094 -0.144 0.000 1.035 286 V CA -0.312 61.843 62.300 -0.242 0.000 0.873 286 V CB 2.288 33.869 31.823 -0.404 0.000 0.992 286 V HN 0.943 nan 8.190 nan 0.000 0.428 287 T N 4.656 119.189 114.554 -0.035 0.000 2.879 287 T HA 0.512 4.863 4.350 0.000 0.000 0.290 287 T C -0.773 173.755 174.700 -0.286 0.000 0.993 287 T CA -0.634 61.366 62.100 -0.167 0.000 0.975 287 T CB 1.517 70.325 68.868 -0.100 0.000 0.981 287 T HN 0.675 nan 8.240 nan 0.000 0.439 288 Q N 1.772 121.361 119.800 -0.351 0.000 2.309 288 Q HA 0.568 4.909 4.340 0.000 0.000 0.264 288 Q C -1.211 174.499 176.000 -0.484 0.000 1.008 288 Q CA -0.743 54.905 55.803 -0.258 0.000 0.853 288 Q CB 1.957 30.702 28.738 0.012 0.000 1.314 288 Q HN 0.603 nan 8.270 nan 0.000 0.448 289 F N 2.310 122.323 119.950 0.104 0.000 2.359 289 F HA 0.302 4.830 4.527 0.000 0.000 0.370 289 F C -0.728 175.115 175.800 0.070 0.000 1.077 289 F CA -0.810 57.238 58.000 0.079 0.000 1.136 289 F CB 0.531 39.575 39.000 0.074 0.000 1.387 289 F HN 0.244 nan 8.300 nan 0.000 0.468 290 L N 2.425 123.744 121.223 0.159 0.000 2.350 290 L HA 0.500 4.840 4.340 0.000 0.000 0.275 290 L C 0.687 177.627 176.870 0.117 0.000 1.099 290 L CA -0.187 54.723 54.840 0.117 0.000 0.808 290 L CB 1.316 43.421 42.059 0.076 0.000 1.149 290 L HN 0.587 nan 8.230 nan 0.000 0.442 291 T N -2.823 111.789 114.554 0.096 0.000 2.943 291 T HA 0.311 4.662 4.350 0.000 0.000 0.284 291 T C 0.795 175.533 174.700 0.063 0.000 1.015 291 T CA -0.442 61.706 62.100 0.079 0.000 1.042 291 T CB 1.271 70.181 68.868 0.070 0.000 1.055 291 T HN 0.643 nan 8.240 nan 0.000 0.500 292 D N 1.148 121.581 120.400 0.056 0.000 2.158 292 D HA -0.204 4.437 4.640 0.000 0.000 0.197 292 D C 1.018 177.342 176.300 0.039 0.000 0.995 292 D CA 1.854 55.882 54.000 0.046 0.000 0.846 292 D CB -0.514 40.311 40.800 0.042 0.000 0.941 292 D HN 0.767 nan 8.370 nan 0.000 0.456 293 D N -2.136 118.287 120.400 0.038 0.000 2.363 293 D HA 0.240 4.880 4.640 0.000 0.000 0.214 293 D C 1.592 177.911 176.300 0.032 0.000 1.093 293 D CA 0.243 54.262 54.000 0.032 0.000 0.837 293 D CB -0.119 40.698 40.800 0.028 0.000 0.948 293 D HN 0.357 nan 8.370 nan 0.000 0.507 294 G N 0.201 109.024 108.800 0.038 0.000 2.160 294 G HA2 -0.253 3.707 3.960 0.000 0.000 0.251 294 G HA3 -0.253 3.707 3.960 0.000 0.000 0.251 294 G C 0.404 175.326 174.900 0.036 0.000 1.008 294 G CA 0.871 45.994 45.100 0.038 0.000 0.724 294 G HN 0.894 nan 8.290 nan 0.000 0.514 295 T N -4.056 110.520 114.554 0.038 0.000 2.926 295 T HA 0.618 4.968 4.350 0.000 0.000 0.289 295 T C 0.608 175.334 174.700 0.043 0.000 1.054 295 T CA 0.228 62.349 62.100 0.036 0.000 1.015 295 T CB 1.829 70.714 68.868 0.029 0.000 1.167 295 T HN -0.174 nan 8.240 nan 0.000 0.526 296 D N 0.694 121.119 120.400 0.041 0.000 2.312 296 D HA 0.052 4.692 4.640 0.000 0.000 0.211 296 D C 1.792 178.116 176.300 0.041 0.000 0.964 296 D CA 1.275 55.303 54.000 0.047 0.000 0.877 296 D CB -0.207 40.620 40.800 0.045 0.000 0.924 296 D HN 0.799 nan 8.370 nan 0.000 0.515 297 T N -2.421 112.154 114.554 0.034 0.000 3.069 297 T HA 0.314 4.664 4.350 0.000 0.000 0.252 297 T C 1.173 175.890 174.700 0.029 0.000 1.053 297 T CA -0.216 61.901 62.100 0.029 0.000 0.964 297 T CB 0.508 69.390 68.868 0.023 0.000 1.005 297 T HN 0.045 nan 8.240 nan 0.000 0.532 298 G N 1.287 110.108 108.800 0.035 0.000 2.621 298 G HA2 0.455 4.415 3.960 0.000 0.000 0.271 298 G HA3 0.455 4.415 3.960 0.000 0.000 0.271 298 G C -0.393 174.531 174.900 0.040 0.000 1.236 298 G CA -0.553 44.569 45.100 0.036 0.000 0.958 298 G HN 0.235 nan 8.290 nan 0.000 0.512 299 T N 0.473 115.051 114.554 0.041 0.000 2.869 299 T HA 0.234 4.585 4.350 0.000 0.000 0.295 299 T C 0.325 175.062 174.700 0.061 0.000 0.987 299 T CA -0.299 61.828 62.100 0.044 0.000 1.109 299 T CB 1.354 70.245 68.868 0.039 0.000 0.932 299 T HN 0.387 nan 8.240 nan 0.000 0.518 300 L N 3.869 125.134 121.223 0.070 0.000 2.499 300 L HA 0.236 4.576 4.340 0.000 0.000 0.273 300 L C 1.126 178.057 176.870 0.103 0.000 1.195 300 L CA 0.944 55.844 54.840 0.100 0.000 0.882 300 L CB 0.569 42.696 42.059 0.113 0.000 1.133 300 L HN 0.806 nan 8.230 nan 0.000 0.483 301 S N 2.116 117.880 115.700 0.107 0.000 2.769 301 S HA 0.319 4.789 4.470 0.000 0.000 0.258 301 S C 0.268 174.925 174.600 0.096 0.000 1.080 301 S CA -0.122 58.135 58.200 0.096 0.000 0.943 301 S CB 0.036 63.281 63.200 0.075 0.000 0.893 301 S HN 0.695 nan 8.310 nan 0.000 0.490 302 E N -0.008 120.247 120.200 0.091 0.000 2.335 302 E HA 0.565 4.915 4.350 0.000 0.000 0.280 302 E C -1.971 174.652 176.600 0.038 0.000 0.918 302 E CA -0.683 55.749 56.400 0.054 0.000 0.765 302 E CB 1.908 31.623 29.700 0.025 0.000 1.218 302 E HN 0.402 nan 8.360 nan 0.000 0.425 303 I N 3.966 124.526 120.570 -0.016 0.000 2.362 303 I HA 0.386 4.556 4.170 0.000 0.000 0.289 303 I C -0.209 175.783 176.117 -0.209 0.000 0.994 303 I CA -0.667 60.572 61.300 -0.100 0.000 1.158 303 I CB 1.384 39.367 38.000 -0.028 0.000 1.315 303 I HN 0.218 nan 8.210 nan 0.000 0.451 304 K N 5.076 125.327 120.400 -0.248 0.000 2.208 304 K HA 0.713 5.033 4.320 0.000 0.000 0.247 304 K C -0.741 175.630 176.600 -0.382 0.000 0.953 304 K CA -1.134 54.962 56.287 -0.317 0.000 0.837 304 K CB 2.675 35.053 32.500 -0.202 0.000 1.131 304 K HN 0.318 nan 8.250 nan 0.000 0.431 305 R N 1.914 122.068 120.500 -0.577 0.000 2.575 305 R HA 0.451 4.791 4.340 0.000 0.000 0.293 305 R C -1.897 173.901 176.300 -0.836 0.000 0.983 305 R CA -0.396 55.370 56.100 -0.557 0.000 0.887 305 R CB 0.542 30.558 30.300 -0.473 0.000 1.184 305 R HN 0.442 nan 8.270 nan 0.000 0.445 306 F N 3.397 123.109 119.950 -0.396 0.000 2.577 306 F HA 0.544 5.071 4.527 0.000 0.000 0.318 306 F C -0.713 174.799 175.800 -0.481 0.000 1.065 306 F CA -0.653 57.157 58.000 -0.318 0.000 0.929 306 F CB 1.654 40.471 39.000 -0.305 0.000 1.237 306 F HN 0.358 nan 8.300 nan 0.000 0.468 307 Y N 1.533 121.918 120.300 0.142 0.000 2.549 307 Y HA 0.762 5.312 4.550 0.000 0.000 0.339 307 Y C -0.390 175.544 175.900 0.057 0.000 1.053 307 Y CA -1.269 56.885 58.100 0.089 0.000 1.105 307 Y CB 1.724 40.256 38.460 0.120 0.000 1.258 307 Y HN 0.263 nan 8.280 nan 0.000 0.478 308 I N 1.991 122.675 120.570 0.189 0.000 2.478 308 I HA 0.375 4.546 4.170 0.000 0.000 0.287 308 I C -1.060 175.146 176.117 0.149 0.000 1.042 308 I CA -0.601 60.773 61.300 0.123 0.000 1.067 308 I CB 2.037 40.063 38.000 0.043 0.000 1.233 308 I HN 0.509 nan 8.210 nan 0.000 0.431 309 Q N 4.821 124.691 119.800 0.116 0.000 2.323 309 Q HA 0.403 4.743 4.340 0.000 0.000 0.271 309 Q C -0.744 175.292 176.000 0.061 0.000 1.048 309 Q CA -0.678 55.184 55.803 0.098 0.000 0.792 309 Q CB 1.583 30.359 28.738 0.062 0.000 1.280 309 Q HN 0.609 nan 8.270 nan 0.000 0.441 310 N N 1.976 120.709 118.700 0.055 0.000 2.688 310 N HA -0.279 4.461 4.740 0.000 0.000 0.258 310 N C -0.176 175.360 175.510 0.044 0.000 1.016 310 N CA 1.381 54.456 53.050 0.041 0.000 0.747 310 N CB -1.169 37.336 38.487 0.029 0.000 0.895 310 N HN 0.875 nan 8.380 nan 0.000 0.543 311 S N -3.876 111.855 115.700 0.051 0.000 3.077 311 S HA -0.350 4.120 4.470 0.000 0.000 0.307 311 S C 0.097 174.736 174.600 0.064 0.000 1.291 311 S CA 1.308 59.542 58.200 0.056 0.000 1.069 311 S CB -1.352 61.875 63.200 0.044 0.000 1.218 311 S HN 0.581 nan 8.310 nan 0.000 0.699 312 N N 1.185 119.925 118.700 0.067 0.000 2.434 312 N HA 0.539 5.279 4.740 0.000 0.000 0.272 312 N C -0.578 174.995 175.510 0.105 0.000 1.040 312 N CA -0.278 52.818 53.050 0.077 0.000 0.956 312 N CB 1.641 40.166 38.487 0.064 0.000 1.108 312 N HN 0.287 nan 8.380 nan 0.000 0.481 313 V N 4.169 124.157 119.914 0.123 0.000 2.385 313 V HA 0.367 4.487 4.120 0.000 0.000 0.269 313 V C 0.317 176.538 176.094 0.212 0.000 1.043 313 V CA -0.394 62.003 62.300 0.161 0.000 0.906 313 V CB -0.028 31.891 31.823 0.161 0.000 0.995 313 V HN 0.480 nan 8.190 nan 0.000 0.467 314 I N 8.182 128.919 120.570 0.279 0.000 2.439 314 I HA 0.404 4.574 4.170 0.000 0.000 0.285 314 I C -2.316 174.047 176.117 0.410 0.000 1.021 314 I CA -1.954 59.538 61.300 0.320 0.000 1.091 314 I CB 2.491 40.670 38.000 0.297 0.000 1.242 314 I HN 0.433 nan 8.210 nan 0.000 0.439 315 P HA 0.076 nan 4.420 nan 0.000 0.274 315 P C -0.740 176.538 177.300 -0.037 0.000 1.237 315 P CA -0.527 62.606 63.100 0.056 0.000 0.793 315 P CB 0.650 32.343 31.700 -0.012 0.000 0.977 316 Q N 3.067 122.728 119.800 -0.232 0.000 2.310 316 Q HA 0.030 4.370 4.340 0.000 0.000 0.315 316 Q C -1.932 173.804 176.000 -0.441 0.000 1.081 316 Q CA -0.510 55.088 55.803 -0.343 0.000 0.981 316 Q CB -0.513 27.910 28.738 -0.525 0.000 1.184 316 Q HN 0.316 nan 8.270 nan 0.000 0.389 317 P HA -0.018 nan 4.420 nan 0.000 0.272 317 P C -0.850 176.383 177.300 -0.111 0.000 1.223 317 P CA -0.125 62.743 63.100 -0.387 0.000 0.784 317 P CB 0.575 31.968 31.700 -0.511 0.000 0.923 318 N N 0.258 118.937 118.700 -0.035 0.000 2.479 318 N HA 0.006 4.746 4.740 0.000 0.000 0.257 318 N C 0.527 176.124 175.510 0.145 0.000 1.232 318 N CA 0.167 53.258 53.050 0.068 0.000 0.920 318 N CB 0.060 38.568 38.487 0.035 0.000 1.105 318 N HN 0.367 nan 8.380 nan 0.000 0.444 319 S N 0.112 115.945 115.700 0.221 0.000 2.552 319 S HA -0.090 4.380 4.470 0.000 0.000 0.289 319 S C 0.396 175.031 174.600 0.058 0.000 1.304 319 S CA -0.126 58.152 58.200 0.130 0.000 1.063 319 S CB 0.186 63.482 63.200 0.159 0.000 0.848 319 S HN 0.477 nan 8.310 nan 0.000 0.499 320 D N 3.227 123.641 120.400 0.023 0.000 2.559 320 D HA 0.300 4.940 4.640 0.000 0.000 0.234 320 D C -0.393 175.907 176.300 -0.001 0.000 1.226 320 D CA -0.229 53.775 54.000 0.007 0.000 0.830 320 D CB -0.030 40.769 40.800 -0.002 0.000 1.028 320 D HN 0.407 nan 8.370 nan 0.000 0.492 321 I N 1.185 121.749 120.570 -0.009 0.000 2.353 321 I HA 0.186 4.356 4.170 0.000 0.000 0.293 321 I C 0.515 176.601 176.117 -0.052 0.000 0.992 321 I CA -0.596 60.691 61.300 -0.020 0.000 1.268 321 I CB 1.362 39.333 38.000 -0.048 0.000 1.387 321 I HN -0.096 nan 8.210 nan 0.000 0.478 322 S N 4.767 120.444 115.700 -0.038 0.000 2.596 322 S HA 0.204 4.675 4.470 0.000 0.000 0.298 322 S C 1.229 175.783 174.600 -0.076 0.000 1.255 322 S CA 0.621 58.795 58.200 -0.043 0.000 1.083 322 S CB 0.148 63.331 63.200 -0.029 0.000 0.837 322 S HN 1.090 nan 8.310 nan 0.000 0.499 323 G N 1.887 110.647 108.800 -0.066 0.000 2.179 323 G HA2 -0.235 3.725 3.960 0.000 0.000 0.260 323 G HA3 -0.235 3.725 3.960 0.000 0.000 0.260 323 G C -0.023 174.811 174.900 -0.111 0.000 0.977 323 G CA 0.041 45.093 45.100 -0.079 0.000 0.641 323 G HN 0.826 nan 8.290 nan 0.000 0.533 324 V N 0.638 120.477 119.914 -0.125 0.000 2.444 324 V HA 0.764 4.884 4.120 0.000 0.000 0.294 324 V C 0.138 176.212 176.094 -0.033 0.000 1.022 324 V CA -0.258 61.944 62.300 -0.163 0.000 0.850 324 V CB 1.820 33.447 31.823 -0.327 0.000 0.992 324 V HN 0.249 nan 8.190 nan 0.000 0.426 325 T N 3.184 117.765 114.554 0.045 0.000 2.863 325 T HA 0.845 5.195 4.350 0.000 0.000 0.285 325 T C 0.137 174.956 174.700 0.198 0.000 1.009 325 T CA 0.590 62.747 62.100 0.096 0.000 0.989 325 T CB 1.626 70.524 68.868 0.050 0.000 1.004 325 T HN 1.572 nan 8.240 nan 0.000 0.455 326 G N 2.722 111.617 108.800 0.158 0.000 2.498 326 G HA2 -0.052 3.908 3.960 0.000 0.000 0.651 326 G HA3 -0.052 3.908 3.960 0.000 0.000 0.651 326 G C -0.341 174.642 174.900 0.137 0.000 1.284 326 G CA -0.084 45.090 45.100 0.123 0.000 0.950 326 G HN 0.915 nan 8.290 nan 0.000 0.511 327 N N -1.119 117.551 118.700 -0.049 0.000 2.305 327 N HA 0.369 5.109 4.740 0.000 0.000 0.248 327 N C 0.141 175.288 175.510 -0.605 0.000 1.290 327 N CA 0.860 53.741 53.050 -0.281 0.000 0.873 327 N CB 0.428 38.751 38.487 -0.273 0.000 1.261 327 N HN 1.596 nan 8.380 nan 0.000 0.504 328 S N -0.513 114.905 115.700 -0.470 0.000 2.588 328 S HA 0.643 5.114 4.470 0.000 0.000 0.275 328 S C -0.602 173.700 174.600 -0.496 0.000 1.130 328 S CA -0.887 57.025 58.200 -0.481 0.000 0.855 328 S CB 1.279 64.311 63.200 -0.280 0.000 1.116 328 S HN 0.094 nan 8.310 nan 0.000 0.472 329 I N 2.586 122.932 120.570 -0.372 0.000 2.352 329 I HA 0.468 4.639 4.170 0.000 0.000 0.290 329 I C 0.387 176.493 176.117 -0.019 0.000 1.036 329 I CA 0.239 61.398 61.300 -0.234 0.000 1.336 329 I CB 1.217 39.150 38.000 -0.113 0.000 1.407 329 I HN 0.964 nan 8.210 nan 0.000 0.497 330 T N -0.346 114.273 114.554 0.108 0.000 2.864 330 T HA 0.245 4.595 4.350 0.000 0.000 0.299 330 T C 0.756 175.590 174.700 0.224 0.000 1.166 330 T CA -0.688 61.504 62.100 0.154 0.000 1.007 330 T CB 1.563 70.504 68.868 0.121 0.000 1.219 330 T HN 0.420 nan 8.240 nan 0.000 0.506 331 T N 0.722 115.399 114.554 0.206 0.000 2.685 331 T HA -0.108 4.242 4.350 0.000 0.000 0.268 331 T C 2.434 177.232 174.700 0.164 0.000 1.034 331 T CA 2.563 64.792 62.100 0.215 0.000 1.149 331 T CB -0.915 68.047 68.868 0.156 0.000 0.860 331 T HN 0.911 nan 8.240 nan 0.000 0.449 332 E N 0.979 121.260 120.200 0.135 0.000 2.051 332 E HA -0.127 4.223 4.350 0.000 0.000 0.192 332 E C 1.742 178.398 176.600 0.093 0.000 0.991 332 E CA 1.513 57.970 56.400 0.094 0.000 0.799 332 E CB -1.241 28.509 29.700 0.084 0.000 0.748 332 E HN 0.660 nan 8.360 nan 0.000 0.449 333 F N 0.727 120.683 119.950 0.010 0.000 2.095 333 F HA -0.202 4.326 4.527 0.000 0.000 0.298 333 F C 2.526 178.294 175.800 -0.053 0.000 1.104 333 F CA 2.030 60.023 58.000 -0.012 0.000 1.232 333 F CB -0.529 38.488 39.000 0.029 0.000 0.987 333 F HN 0.312 nan 8.300 nan 0.000 0.475 334 c N 0.041 118.709 118.600 0.112 0.000 2.425 334 c HA -0.146 4.424 4.570 0.000 0.000 0.277 334 c C 2.720 176.723 174.090 -0.145 0.000 1.280 334 c CA 1.655 57.939 56.329 -0.075 0.000 1.744 334 c CB -1.483 40.980 42.510 -0.078 0.000 1.989 334 c HN 0.589 nan 8.230 nan 0.000 0.491 335 T N 1.091 115.612 114.554 -0.055 0.000 2.737 335 T HA -0.091 4.260 4.350 0.000 0.000 0.265 335 T C 2.139 176.746 174.700 -0.154 0.000 1.038 335 T CA 1.682 63.747 62.100 -0.057 0.000 1.144 335 T CB -0.368 68.497 68.868 -0.004 0.000 0.866 335 T HN 0.631 nan 8.240 nan 0.000 0.434 336 A N 1.735 124.425 122.820 -0.218 0.000 1.898 336 A HA -0.165 4.155 4.320 0.000 0.000 0.216 336 A C 2.257 179.574 177.584 -0.445 0.000 1.181 336 A CA 1.987 53.855 52.037 -0.282 0.000 0.620 336 A CB -0.651 18.192 19.000 -0.262 0.000 0.819 336 A HN 0.649 nan 8.150 nan 0.000 0.442 337 Q N -0.432 118.976 119.800 -0.653 0.000 2.123 337 Q HA -0.066 4.274 4.340 0.000 0.000 0.199 337 Q C 1.696 177.339 176.000 -0.594 0.000 0.966 337 Q CA 1.592 56.874 55.803 -0.868 0.000 0.845 337 Q CB -0.204 27.862 28.738 -1.121 0.000 0.907 337 Q HN 0.365 nan 8.270 nan 0.000 0.439 338 K N 0.740 120.947 120.400 -0.320 0.000 2.097 338 K HA -0.127 4.193 4.320 0.000 0.000 0.206 338 K C 2.130 178.661 176.600 -0.116 0.000 1.049 338 K CA 1.636 57.843 56.287 -0.134 0.000 0.933 338 K CB -0.108 32.352 32.500 -0.067 0.000 0.717 338 K HN 0.521 nan 8.250 nan 0.000 0.442 339 Q N -0.148 119.553 119.800 -0.165 0.000 2.083 339 Q HA -0.011 4.329 4.340 0.000 0.000 0.198 339 Q C 2.013 177.939 176.000 -0.123 0.000 0.969 339 Q CA 1.281 57.013 55.803 -0.119 0.000 0.838 339 Q CB -0.069 28.599 28.738 -0.116 0.000 0.900 339 Q HN 0.309 nan 8.270 nan 0.000 0.436 340 A N -0.316 122.362 122.820 -0.237 0.000 2.119 340 A HA -0.080 4.240 4.320 0.000 0.000 0.217 340 A C 1.208 178.764 177.584 -0.046 0.000 1.153 340 A CA 0.847 52.753 52.037 -0.218 0.000 0.692 340 A CB -0.126 18.645 19.000 -0.381 0.000 0.799 340 A HN 0.268 nan 8.150 nan 0.000 0.458 341 F N -1.084 118.821 119.950 -0.074 0.000 2.731 341 F HA 0.331 4.858 4.527 0.000 0.000 0.298 341 F C 1.854 177.634 175.800 -0.033 0.000 1.106 341 F CA -0.301 57.670 58.000 -0.050 0.000 1.329 341 F CB -0.557 38.414 39.000 -0.048 0.000 1.100 341 F HN 0.320 nan 8.300 nan 0.000 0.592 342 G N 1.176 110.049 108.800 0.122 0.000 2.198 342 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 342 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 342 G C -0.275 174.661 174.900 0.059 0.000 1.025 342 G CA 0.154 45.291 45.100 0.062 0.000 0.769 342 G HN 0.232 nan 8.290 nan 0.000 0.507 343 D N 0.052 120.500 120.400 0.081 0.000 2.225 343 D HA 0.496 5.136 4.640 0.000 0.000 0.249 343 D C 0.967 177.264 176.300 -0.005 0.000 1.052 343 D CA 0.482 54.518 54.000 0.061 0.000 0.909 343 D CB 1.355 42.224 40.800 0.116 0.000 1.186 343 D HN 0.197 nan 8.370 nan 0.000 0.431 344 T N 0.288 114.799 114.554 -0.073 0.000 2.928 344 T HA -0.072 4.278 4.350 0.000 0.000 0.305 344 T C 0.148 174.793 174.700 -0.092 0.000 1.035 344 T CA -0.320 61.688 62.100 -0.153 0.000 1.145 344 T CB 0.375 69.017 68.868 -0.377 0.000 0.963 344 T HN 0.095 nan 8.240 nan 0.000 0.545 345 D N 3.242 123.609 120.400 -0.055 0.000 2.631 345 D HA 0.181 4.821 4.640 0.000 0.000 0.227 345 D C 0.620 176.941 176.300 0.035 0.000 1.146 345 D CA -0.385 53.626 54.000 0.019 0.000 1.009 345 D CB 0.131 40.943 40.800 0.019 0.000 1.057 345 D HN 0.642 nan 8.370 nan 0.000 0.509 346 D N 0.634 121.075 120.400 0.068 0.000 2.277 346 D HA -0.110 4.530 4.640 0.000 0.000 0.208 346 D C 1.538 177.979 176.300 0.236 0.000 0.962 346 D CA 0.301 54.377 54.000 0.126 0.000 0.865 346 D CB -0.032 40.913 40.800 0.242 0.000 0.939 346 D HN 0.352 nan 8.370 nan 0.000 0.510 347 F N 1.129 121.132 119.950 0.089 0.000 2.069 347 F HA -0.229 4.298 4.527 0.000 0.000 0.298 347 F C 2.473 178.315 175.800 0.070 0.000 1.113 347 F CA 2.027 60.081 58.000 0.090 0.000 1.214 347 F CB -0.628 38.406 39.000 0.057 0.000 0.978 347 F HN 0.010 nan 8.300 nan 0.000 0.474 348 S N -0.712 115.042 115.700 0.090 0.000 2.461 348 S HA -0.199 4.271 4.470 0.000 0.000 0.228 348 S C 1.992 176.532 174.600 -0.099 0.000 1.005 348 S CA 0.845 59.016 58.200 -0.048 0.000 0.942 348 S CB -0.712 62.520 63.200 0.054 0.000 0.776 348 S HN 0.691 nan 8.310 nan 0.000 0.514 349 Q N 0.649 120.381 119.800 -0.114 0.000 2.170 349 Q HA -0.122 4.219 4.340 0.000 0.000 0.203 349 Q C 0.830 176.628 176.000 -0.338 0.000 0.976 349 Q CA 1.656 57.314 55.803 -0.241 0.000 0.858 349 Q CB -0.259 28.277 28.738 -0.338 0.000 0.907 349 Q HN 0.864 nan 8.270 nan 0.000 0.433 350 H N -1.765 117.270 119.070 -0.059 0.000 2.507 350 H HA 0.351 4.907 4.556 0.000 0.000 0.294 350 H C 0.428 175.677 175.328 -0.131 0.000 1.064 350 H CA 0.289 56.298 56.048 -0.065 0.000 1.138 350 H CB 1.022 30.770 29.762 -0.022 0.000 1.515 350 H HN 0.475 nan 8.280 nan 0.000 0.547 351 G N -0.432 108.301 108.800 -0.111 0.000 2.179 351 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 351 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 351 G C 0.971 175.719 174.900 -0.254 0.000 0.990 351 G CA -0.082 44.938 45.100 -0.133 0.000 0.646 351 G HN 0.915 nan 8.290 nan 0.000 0.517 352 G N -0.120 108.347 108.800 -0.555 0.000 2.594 352 G HA2 -0.263 3.698 3.960 0.000 0.000 0.297 352 G HA3 -0.263 3.698 3.960 0.000 0.000 0.297 352 G C 1.168 175.760 174.900 -0.514 0.000 1.273 352 G CA 0.747 45.232 45.100 -1.024 0.000 0.974 352 G HN 1.203 nan 8.290 nan 0.000 0.552 353 L N 0.781 121.926 121.223 -0.130 0.000 2.201 353 L HA 0.080 4.420 4.340 0.000 0.000 0.212 353 L C 3.455 180.344 176.870 0.031 0.000 1.105 353 L CA 1.688 56.579 54.840 0.086 0.000 0.775 353 L CB -0.796 41.382 42.059 0.199 0.000 0.913 353 L HN 0.764 nan 8.230 nan 0.000 0.440 354 A N 0.275 123.091 122.820 -0.007 0.000 1.902 354 A HA -0.253 4.067 4.320 0.000 0.000 0.217 354 A C 2.331 179.908 177.584 -0.013 0.000 1.181 354 A CA 1.935 53.971 52.037 -0.002 0.000 0.623 354 A CB -0.310 18.684 19.000 -0.010 0.000 0.818 354 A HN 0.226 nan 8.150 nan 0.000 0.443 355 K N -1.685 118.690 120.400 -0.043 0.000 2.228 355 K HA 0.073 4.393 4.320 0.000 0.000 0.202 355 K C 1.882 178.472 176.600 -0.016 0.000 1.051 355 K CA 1.067 57.334 56.287 -0.033 0.000 0.960 355 K CB -0.156 32.316 32.500 -0.047 0.000 0.743 355 K HN 0.395 nan 8.250 nan 0.000 0.458 356 M N -0.276 119.320 119.600 -0.006 0.000 2.117 356 M HA -0.020 4.460 4.480 0.000 0.000 0.262 356 M C 1.808 178.120 176.300 0.020 0.000 1.065 356 M CA 1.941 57.264 55.300 0.038 0.000 1.114 356 M CB -0.713 31.953 32.600 0.110 0.000 1.361 356 M HN 0.181 nan 8.290 nan 0.000 0.408 357 G N -0.853 107.961 108.800 0.024 0.000 2.418 357 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 357 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 357 G C 1.570 176.468 174.900 -0.002 0.000 1.158 357 G CA 1.032 46.141 45.100 0.014 0.000 0.771 357 G HN 0.673 nan 8.290 nan 0.000 0.545 358 A N 1.241 124.060 122.820 -0.002 0.000 1.908 358 A HA 0.187 4.507 4.320 0.000 0.000 0.218 358 A C 2.826 180.403 177.584 -0.013 0.000 1.181 358 A CA 2.435 54.468 52.037 -0.005 0.000 0.627 358 A CB -0.829 18.168 19.000 -0.005 0.000 0.818 358 A HN 0.821 nan 8.150 nan 0.000 0.445 359 A N -0.659 122.152 122.820 -0.016 0.000 1.898 359 A HA -0.101 4.219 4.320 0.000 0.000 0.216 359 A C 2.237 179.794 177.584 -0.044 0.000 1.181 359 A CA 1.758 53.780 52.037 -0.024 0.000 0.620 359 A CB -0.548 18.442 19.000 -0.016 0.000 0.819 359 A HN 0.535 nan 8.150 nan 0.000 0.442 360 M N -1.091 118.471 119.600 -0.064 0.000 2.213 360 M HA -0.220 4.261 4.480 0.000 0.000 0.263 360 M C 2.320 178.582 176.300 -0.065 0.000 1.062 360 M CA 1.512 56.747 55.300 -0.109 0.000 1.105 360 M CB -0.333 32.173 32.600 -0.155 0.000 1.385 360 M HN 0.493 nan 8.290 nan 0.000 0.417 361 Q N -0.227 119.553 119.800 -0.032 0.000 2.172 361 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 361 Q C 2.065 178.058 176.000 -0.011 0.000 0.964 361 Q CA 0.878 56.674 55.803 -0.012 0.000 0.855 361 Q CB 0.144 28.880 28.738 -0.003 0.000 0.918 361 Q HN 0.450 nan 8.270 nan 0.000 0.444 362 Q N -0.601 119.188 119.800 -0.017 0.000 2.291 362 Q HA 0.056 4.396 4.340 0.000 0.000 0.205 362 Q C 0.629 176.620 176.000 -0.014 0.000 0.970 362 Q CA 1.035 56.830 55.803 -0.014 0.000 0.876 362 Q CB 0.154 28.882 28.738 -0.016 0.000 0.935 362 Q HN 0.363 nan 8.270 nan 0.000 0.455 363 G N 0.424 109.210 108.800 -0.024 0.000 2.788 363 G HA2 -0.137 3.823 3.960 0.000 0.000 0.686 363 G HA3 -0.137 3.823 3.960 0.000 0.000 0.686 363 G C -0.773 174.115 174.900 -0.018 0.000 1.147 363 G CA -0.395 44.693 45.100 -0.020 0.000 0.755 363 G HN 0.066 nan 8.290 nan 0.000 0.634 364 M N 0.594 120.193 119.600 -0.003 0.000 2.593 364 M HA 0.614 5.094 4.480 0.000 0.000 0.290 364 M C -0.053 176.345 176.300 0.163 0.000 1.244 364 M CA -1.111 54.214 55.300 0.041 0.000 0.857 364 M CB 2.701 35.298 32.600 -0.005 0.000 1.738 364 M HN 0.452 nan 8.290 nan 0.000 0.461 365 V N 2.301 122.271 119.914 0.093 0.000 2.483 365 V HA 0.382 4.502 4.120 0.000 0.000 0.295 365 V C -0.710 175.300 176.094 -0.139 0.000 1.035 365 V CA -0.853 61.441 62.300 -0.011 0.000 0.896 365 V CB 1.769 33.425 31.823 -0.278 0.000 0.986 365 V HN 0.631 nan 8.190 nan 0.000 0.447 366 L N 6.968 128.041 121.223 -0.250 0.000 2.313 366 L HA 0.509 4.849 4.340 0.000 0.000 0.282 366 L C -0.339 176.186 176.870 -0.575 0.000 1.092 366 L CA 0.554 54.923 54.840 -0.785 0.000 0.831 366 L CB 1.035 42.649 42.059 -0.741 0.000 1.159 366 L HN 0.441 nan 8.230 nan 0.000 0.442 367 V N 6.589 126.031 119.914 -0.786 0.000 2.459 367 V HA 0.531 4.651 4.120 0.000 0.000 0.295 367 V C 0.145 175.801 176.094 -0.730 0.000 1.029 367 V CA -0.538 61.337 62.300 -0.710 0.000 0.874 367 V CB 1.510 32.687 31.823 -1.076 0.000 0.985 367 V HN 0.804 nan 8.190 nan 0.000 0.438 368 M N 3.290 122.566 119.600 -0.540 0.000 2.393 368 M HA 0.664 5.145 4.480 0.000 0.000 0.316 368 M C -0.447 175.741 176.300 -0.187 0.000 1.087 368 M CA -0.113 54.940 55.300 -0.412 0.000 0.937 368 M CB 2.266 34.595 32.600 -0.451 0.000 1.668 368 M HN 0.659 nan 8.290 nan 0.000 0.438 369 S N 2.096 117.841 115.700 0.076 0.000 2.550 369 S HA 0.817 5.287 4.470 0.000 0.000 0.270 369 S C -2.191 172.620 174.600 0.352 0.000 1.145 369 S CA -0.643 57.663 58.200 0.178 0.000 0.852 369 S CB 1.822 65.211 63.200 0.314 0.000 1.119 369 S HN 0.618 nan 8.310 nan 0.000 0.465 370 L N 5.299 126.725 121.223 0.338 0.000 2.446 370 L HA 0.840 5.180 4.340 0.000 0.000 0.268 370 L C -1.664 175.511 176.870 0.508 0.000 0.975 370 L CA -0.055 54.992 54.840 0.346 0.000 0.848 370 L CB 1.185 43.398 42.059 0.256 0.000 1.225 370 L HN 0.773 nan 8.230 nan 0.000 0.410 371 W N 3.340 124.759 121.300 0.199 0.000 3.107 371 W HA 0.646 5.306 4.660 0.000 0.000 0.331 371 W C -1.401 175.234 176.519 0.195 0.000 1.204 371 W CA -0.934 56.587 57.345 0.293 0.000 1.184 371 W CB 0.859 30.507 29.460 0.313 0.000 1.421 371 W HN 0.632 nan 8.180 nan 0.000 0.544 372 D N 0.073 120.737 120.400 0.439 0.000 2.384 372 D HA 0.395 5.035 4.640 0.000 0.000 0.250 372 D C -1.261 175.272 176.300 0.388 0.000 1.029 372 D CA -0.463 53.645 54.000 0.180 0.000 0.990 372 D CB 1.797 42.719 40.800 0.204 0.000 1.175 372 D HN 0.171 nan 8.370 nan 0.000 0.532 373 D N -0.462 120.046 120.400 0.181 0.000 2.454 373 D HA 0.161 4.801 4.640 0.000 0.000 0.247 373 D C -0.403 176.031 176.300 0.224 0.000 1.129 373 D CA -0.618 53.586 54.000 0.340 0.000 0.877 373 D CB 0.195 41.108 40.800 0.188 0.000 1.082 373 D HN 0.293 nan 8.370 nan 0.000 0.537 374 Y N 2.120 122.550 120.300 0.216 0.000 2.439 374 Y HA 0.057 4.607 4.550 0.000 0.000 0.292 374 Y C 2.211 178.185 175.900 0.123 0.000 1.130 374 Y CA 1.113 59.298 58.100 0.141 0.000 1.254 374 Y CB 0.041 38.569 38.460 0.114 0.000 1.000 374 Y HN 0.557 nan 8.280 nan 0.000 0.554 375 A N -0.901 122.087 122.820 0.280 0.000 1.911 375 A HA 0.390 4.710 4.320 0.000 0.000 0.212 375 A C 1.898 179.594 177.584 0.187 0.000 1.189 375 A CA 1.235 53.393 52.037 0.202 0.000 0.639 375 A CB -0.454 18.652 19.000 0.177 0.000 0.839 375 A HN 0.246 nan 8.150 nan 0.000 0.449 376 A N -2.488 120.459 122.820 0.212 0.000 2.671 376 A HA 0.473 4.793 4.320 0.000 0.000 0.265 376 A C 0.591 178.261 177.584 0.143 0.000 1.148 376 A CA 0.749 52.919 52.037 0.222 0.000 0.977 376 A CB 0.001 19.154 19.000 0.255 0.000 1.242 376 A HN 0.338 nan 8.150 nan 0.000 0.591 377 Q N -2.502 117.344 119.800 0.077 0.000 2.452 377 Q HA -0.297 4.043 4.340 0.000 0.000 0.248 377 Q C 0.487 176.389 176.000 -0.163 0.000 0.874 377 Q CA 0.788 56.569 55.803 -0.037 0.000 1.208 377 Q CB -1.310 27.414 28.738 -0.024 0.000 1.569 377 Q HN 0.741 nan 8.270 nan 0.000 0.579 378 M N -1.797 117.667 119.600 -0.228 0.000 2.762 378 M HA -0.269 4.211 4.480 0.000 0.000 0.190 378 M C 0.244 176.092 176.300 -0.752 0.000 0.586 378 M CA 1.079 55.982 55.300 -0.662 0.000 0.620 378 M CB -0.943 31.261 32.600 -0.660 0.000 2.269 378 M HN 0.453 nan 8.290 nan 0.000 0.563 379 L N -0.949 120.033 121.223 -0.401 0.000 2.217 379 L HA -0.125 4.215 4.340 0.000 0.000 0.211 379 L C 2.252 178.970 176.870 -0.253 0.000 1.107 379 L CA 1.605 56.309 54.840 -0.228 0.000 0.783 379 L CB -0.851 41.242 42.059 0.057 0.000 0.919 379 L HN 0.793 nan 8.230 nan 0.000 0.442 380 W N 0.057 121.125 121.300 -0.388 0.000 2.387 380 W HA -0.187 4.473 4.660 0.000 0.000 0.272 380 W C 1.818 178.221 176.519 -0.194 0.000 1.224 380 W CA 0.411 57.510 57.345 -0.410 0.000 1.210 380 W CB -0.659 28.415 29.460 -0.644 0.000 1.125 380 W HN 0.202 nan 8.180 nan 0.000 0.572 381 L N 2.374 123.033 121.223 -0.940 0.000 2.221 381 L HA 0.030 4.370 4.340 0.000 0.000 0.202 381 L C 1.351 177.945 176.870 -0.460 0.000 1.074 381 L CA 2.567 56.942 54.840 -0.775 0.000 0.795 381 L CB -0.621 40.663 42.059 -1.290 0.000 0.960 381 L HN -0.033 nan 8.230 nan 0.000 0.458 382 D N -2.615 117.510 120.400 -0.458 0.000 2.540 382 D HA 0.237 4.877 4.640 0.000 0.000 0.229 382 D C 0.541 176.658 176.300 -0.304 0.000 1.250 382 D CA 0.097 53.879 54.000 -0.363 0.000 0.817 382 D CB 0.251 40.839 40.800 -0.353 0.000 1.060 382 D HN 0.138 nan 8.370 nan 0.000 0.508 383 S N -0.901 114.660 115.700 -0.231 0.000 3.132 383 S HA 0.412 4.882 4.470 0.000 0.000 0.322 383 S C -1.616 172.945 174.600 -0.064 0.000 1.124 383 S CA -0.777 57.336 58.200 -0.146 0.000 0.906 383 S CB 0.713 63.851 63.200 -0.103 0.000 1.349 383 S HN 0.026 nan 8.310 nan 0.000 0.686 384 D N 1.567 121.960 120.400 -0.012 0.000 2.280 384 D HA 0.271 4.911 4.640 0.000 0.000 0.243 384 D C -0.143 176.212 176.300 0.091 0.000 1.129 384 D CA -0.196 53.820 54.000 0.026 0.000 0.848 384 D CB 1.116 41.919 40.800 0.006 0.000 1.107 384 D HN 0.481 nan 8.370 nan 0.000 0.471 385 Y N 4.111 124.401 120.300 -0.017 0.000 2.280 385 Y HA 0.148 4.699 4.550 0.000 0.000 0.267 385 Y C -1.798 174.119 175.900 0.029 0.000 1.070 385 Y CA -0.173 57.941 58.100 0.023 0.000 1.079 385 Y CB -1.284 37.227 38.460 0.085 0.000 1.026 385 Y HN 0.136 nan 8.280 nan 0.000 0.479 386 P HA 0.024 nan 4.420 nan 0.000 0.260 386 P C 0.450 177.590 177.300 -0.267 0.000 1.207 386 P CA 0.996 63.714 63.100 -0.636 0.000 0.780 386 P CB 0.420 31.889 31.700 -0.385 0.000 0.789 387 T N -0.728 113.709 114.554 -0.195 0.000 2.985 387 T HA -0.122 4.228 4.350 0.000 0.000 0.266 387 T C 0.475 175.138 174.700 -0.062 0.000 1.076 387 T CA 0.665 62.720 62.100 -0.074 0.000 1.135 387 T CB -0.714 68.138 68.868 -0.026 0.000 0.890 387 T HN 0.332 nan 8.240 nan 0.000 0.480 388 D N 1.920 122.274 120.400 -0.076 0.000 2.896 388 D HA 0.583 5.224 4.640 0.000 0.000 0.240 388 D C -0.186 176.081 176.300 -0.055 0.000 1.193 388 D CA -0.573 53.394 54.000 -0.054 0.000 0.983 388 D CB -0.236 40.535 40.800 -0.049 0.000 1.074 388 D HN 0.586 nan 8.370 nan 0.000 0.496 389 A N 0.508 123.298 122.820 -0.050 0.000 2.599 389 A HA 0.429 4.749 4.320 0.000 0.000 0.294 389 A C -1.630 175.934 177.584 -0.033 0.000 1.055 389 A CA -1.140 50.870 52.037 -0.045 0.000 0.683 389 A CB 1.026 19.988 19.000 -0.064 0.000 1.278 389 A HN 0.126 nan 8.150 nan 0.000 0.412 390 D N 2.169 122.555 120.400 -0.024 0.000 2.358 390 D HA 0.373 5.013 4.640 0.000 0.000 0.258 390 D C -1.196 175.095 176.300 -0.015 0.000 1.223 390 D CA -1.159 52.832 54.000 -0.016 0.000 0.886 390 D CB 1.045 41.839 40.800 -0.011 0.000 1.120 390 D HN 0.188 nan 8.370 nan 0.000 0.482 391 P HA -0.091 nan 4.420 nan 0.000 0.239 391 P C 0.747 178.049 177.300 0.004 0.000 1.184 391 P CA 0.786 63.885 63.100 -0.000 0.000 0.760 391 P CB 0.037 31.742 31.700 0.009 0.000 0.884 392 T N -4.174 110.380 114.554 0.000 0.000 3.054 392 T HA -0.007 4.343 4.350 0.000 0.000 0.259 392 T C 1.085 175.786 174.700 0.001 0.000 1.092 392 T CA 0.360 62.461 62.100 0.002 0.000 1.121 392 T CB -1.188 67.681 68.868 0.002 0.000 0.912 392 T HN 0.209 nan 8.240 nan 0.000 0.489 393 T N 2.367 116.920 114.554 -0.002 0.000 2.916 393 T HA 0.275 4.625 4.350 0.000 0.000 0.303 393 T C -2.789 171.912 174.700 0.001 0.000 1.025 393 T CA -1.639 60.464 62.100 0.006 0.000 1.142 393 T CB 0.036 68.908 68.868 0.006 0.000 0.947 393 T HN -0.042 nan 8.240 nan 0.000 0.544 394 P HA 0.176 nan 4.420 nan 0.000 0.257 394 P C 1.022 178.248 177.300 -0.124 0.000 1.162 394 P CA 1.421 64.588 63.100 0.112 0.000 0.762 394 P CB -0.183 31.691 31.700 0.290 0.000 0.753 395 G N 3.051 111.534 108.800 -0.529 0.000 2.179 395 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 395 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 395 G C 0.755 175.356 174.900 -0.498 0.000 0.990 395 G CA -0.145 44.224 45.100 -1.219 0.000 0.646 395 G HN 0.417 nan 8.290 nan 0.000 0.517 396 I N 1.328 121.759 120.570 -0.232 0.000 2.494 396 I HA 0.338 4.508 4.170 0.000 0.000 0.250 396 I C 2.001 178.099 176.117 -0.032 0.000 1.112 396 I CA 1.275 62.517 61.300 -0.096 0.000 1.438 396 I CB -1.240 36.725 38.000 -0.059 0.000 1.111 396 I HN 0.448 nan 8.210 nan 0.000 0.431 397 A N 1.086 123.903 122.820 -0.005 0.000 2.320 397 A HA 0.429 4.750 4.320 0.000 0.000 0.287 397 A C 0.868 178.549 177.584 0.162 0.000 1.181 397 A CA -0.206 51.889 52.037 0.096 0.000 0.831 397 A CB 0.143 19.260 19.000 0.195 0.000 1.102 397 A HN 0.311 nan 8.150 nan 0.000 0.513 398 R N 1.509 122.037 120.500 0.047 0.000 2.469 398 R HA 0.402 4.742 4.340 0.000 0.000 0.250 398 R C 0.691 176.764 176.300 -0.379 0.000 0.909 398 R CA 0.641 56.736 56.100 -0.009 0.000 1.050 398 R CB 1.262 31.531 30.300 -0.051 0.000 1.256 398 R HN 0.948 nan 8.270 nan 0.000 0.550 399 G N -0.940 107.395 108.800 -0.776 0.000 2.356 399 G HA2 0.100 4.061 3.960 0.000 0.000 0.294 399 G HA3 0.100 4.061 3.960 0.000 0.000 0.294 399 G C -0.027 174.440 174.900 -0.723 0.000 1.423 399 G CA -0.211 44.212 45.100 -1.129 0.000 0.806 399 G HN -0.052 nan 8.290 nan 0.000 0.527 400 T N -2.410 111.841 114.554 -0.505 0.000 3.169 400 T HA 0.191 4.541 4.350 0.000 0.000 0.250 400 T C 0.904 175.511 174.700 -0.154 0.000 1.111 400 T CA 0.143 62.112 62.100 -0.217 0.000 1.010 400 T CB -0.737 68.064 68.868 -0.110 0.000 0.984 400 T HN 0.555 nan 8.240 nan 0.000 0.537 401 c N 4.254 122.743 118.600 -0.185 0.000 2.644 401 c HA 0.411 4.981 4.570 0.000 0.000 0.417 401 c C -1.583 172.443 174.090 -0.105 0.000 1.304 401 c CA -1.508 54.736 56.329 -0.142 0.000 2.035 401 c CB 0.446 42.854 42.510 -0.171 0.000 2.673 401 c HN 0.439 nan 8.230 nan 0.000 0.602 402 P HA 0.137 nan 4.420 nan 0.000 0.274 402 P C 0.605 177.873 177.300 -0.053 0.000 1.237 402 P CA 0.178 63.245 63.100 -0.056 0.000 0.793 402 P CB 0.375 32.048 31.700 -0.045 0.000 0.977 403 T N -3.044 111.489 114.554 -0.034 0.000 3.113 403 T HA -0.100 4.250 4.350 0.000 0.000 0.263 403 T C 0.888 175.577 174.700 -0.018 0.000 1.143 403 T CA 0.827 62.915 62.100 -0.020 0.000 1.090 403 T CB -0.777 68.087 68.868 -0.007 0.000 0.922 403 T HN 0.449 nan 8.240 nan 0.000 0.521 404 D N 1.833 122.217 120.400 -0.025 0.000 2.339 404 D HA 0.029 4.669 4.640 0.000 0.000 0.217 404 D C 0.954 177.232 176.300 -0.036 0.000 1.050 404 D CA -0.031 53.955 54.000 -0.024 0.000 0.856 404 D CB -0.381 40.408 40.800 -0.019 0.000 0.922 404 D HN 0.531 nan 8.370 nan 0.000 0.518 405 S N -1.098 114.571 115.700 -0.052 0.000 2.603 405 S HA 0.458 4.929 4.470 0.000 0.000 0.268 405 S C 1.398 175.948 174.600 -0.083 0.000 1.317 405 S CA 0.259 58.416 58.200 -0.071 0.000 1.012 405 S CB 1.188 64.332 63.200 -0.093 0.000 0.926 405 S HN 0.679 nan 8.310 nan 0.000 0.539 406 G N -0.293 108.450 108.800 -0.095 0.000 2.175 406 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 406 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 406 G C 0.179 175.017 174.900 -0.103 0.000 0.982 406 G CA -0.046 44.983 45.100 -0.118 0.000 0.641 406 G HN 2.023 nan 8.290 nan 0.000 0.527 407 V N 0.467 120.332 119.914 -0.082 0.000 2.521 407 V HA 0.515 4.635 4.120 0.000 0.000 0.286 407 V C 0.084 176.099 176.094 -0.132 0.000 1.034 407 V CA -0.353 61.887 62.300 -0.100 0.000 1.045 407 V CB 1.214 33.000 31.823 -0.062 0.000 0.974 407 V HN 0.043 nan 8.190 nan 0.000 0.480 408 P HA -0.191 nan 4.420 nan 0.000 0.216 408 P C 1.963 179.193 177.300 -0.116 0.000 1.157 408 P CA 2.501 65.421 63.100 -0.299 0.000 0.880 408 P CB -0.031 31.095 31.700 -0.957 0.000 0.791 409 S N -1.726 113.917 115.700 -0.096 0.000 2.442 409 S HA -0.154 4.316 4.470 0.000 0.000 0.236 409 S C 1.585 176.181 174.600 -0.007 0.000 1.007 409 S CA 1.324 59.512 58.200 -0.020 0.000 0.965 409 S CB -1.064 62.137 63.200 0.001 0.000 0.773 409 S HN 0.084 nan 8.310 nan 0.000 0.504 410 D N 1.996 122.387 120.400 -0.015 0.000 2.106 410 D HA -0.037 4.604 4.640 0.000 0.000 0.203 410 D C 2.437 178.753 176.300 0.026 0.000 0.977 410 D CA 1.684 55.683 54.000 -0.001 0.000 0.844 410 D CB -0.732 40.059 40.800 -0.016 0.000 1.002 410 D HN 0.496 nan 8.370 nan 0.000 0.461 411 V N -0.171 119.769 119.914 0.044 0.000 2.427 411 V HA -0.152 3.969 4.120 0.000 0.000 0.248 411 V C 1.864 178.104 176.094 0.243 0.000 1.051 411 V CA 1.510 63.879 62.300 0.114 0.000 1.048 411 V CB -0.914 30.963 31.823 0.089 0.000 0.666 411 V HN 0.033 nan 8.190 nan 0.000 0.456 412 E N 0.756 121.066 120.200 0.183 0.000 2.204 412 E HA -0.133 4.217 4.350 0.000 0.000 0.194 412 E C 2.316 178.927 176.600 0.017 0.000 0.989 412 E CA 1.383 57.806 56.400 0.038 0.000 0.824 412 E CB -0.118 29.541 29.700 -0.067 0.000 0.756 412 E HN 0.690 nan 8.360 nan 0.000 0.477 413 S N -0.424 115.297 115.700 0.035 0.000 2.456 413 S HA -0.034 4.437 4.470 0.000 0.000 0.224 413 S C 1.781 176.402 174.600 0.035 0.000 1.035 413 S CA 0.390 58.604 58.200 0.022 0.000 0.940 413 S CB 0.245 63.453 63.200 0.014 0.000 0.799 413 S HN 0.091 nan 8.310 nan 0.000 0.508 414 Q N 0.518 120.347 119.800 0.048 0.000 2.297 414 Q HA 0.307 4.647 4.340 0.000 0.000 0.203 414 Q C 0.327 176.363 176.000 0.059 0.000 0.931 414 Q CA 0.526 56.353 55.803 0.041 0.000 0.885 414 Q CB 0.410 29.163 28.738 0.025 0.000 0.991 414 Q HN 0.387 nan 8.270 nan 0.000 0.498 415 S N 1.647 117.409 115.700 0.103 0.000 2.422 415 S HA 0.190 4.660 4.470 0.000 0.000 0.226 415 S C -1.971 172.774 174.600 0.241 0.000 1.242 415 S CA -0.780 57.498 58.200 0.130 0.000 1.231 415 S CB 1.038 64.289 63.200 0.084 0.000 1.067 415 S HN 0.135 nan 8.310 nan 0.000 0.462 416 P HA -0.059 nan 4.420 nan 0.000 0.219 416 P C 0.279 177.698 177.300 0.198 0.000 1.150 416 P CA 1.047 64.236 63.100 0.148 0.000 0.814 416 P CB -0.154 31.574 31.700 0.048 0.000 0.787 417 N N -0.512 118.292 118.700 0.173 0.000 2.362 417 N HA 0.067 4.807 4.740 0.000 0.000 0.204 417 N C 0.056 175.723 175.510 0.261 0.000 1.166 417 N CA -0.213 52.956 53.050 0.197 0.000 0.831 417 N CB -0.164 38.409 38.487 0.145 0.000 1.008 417 N HN 0.014 nan 8.380 nan 0.000 0.472 418 S N 0.837 116.679 115.700 0.235 0.000 2.573 418 S HA 0.127 4.598 4.470 0.000 0.000 0.277 418 S C -0.443 174.299 174.600 0.235 0.000 1.346 418 S CA 0.022 58.295 58.200 0.121 0.000 1.034 418 S CB 0.148 63.355 63.200 0.012 0.000 0.879 418 S HN 0.430 nan 8.310 nan 0.000 0.528 419 Y N -1.401 118.917 120.300 0.029 0.000 2.713 419 Y HA 0.736 5.286 4.550 0.000 0.000 0.335 419 Y C -1.319 174.560 175.900 -0.034 0.000 1.222 419 Y CA -1.327 56.788 58.100 0.026 0.000 1.061 419 Y CB 0.725 39.206 38.460 0.036 0.000 1.314 419 Y HN 0.421 nan 8.280 nan 0.000 0.453 420 V N 1.099 121.078 119.914 0.108 0.000 2.735 420 V HA 0.798 4.919 4.120 0.000 0.000 0.310 420 V C -1.217 174.837 176.094 -0.066 0.000 1.061 420 V CA -0.299 61.946 62.300 -0.091 0.000 0.913 420 V CB 2.209 33.901 31.823 -0.220 0.000 1.005 420 V HN 1.003 nan 8.190 nan 0.000 0.428 421 T N 6.380 120.839 114.554 -0.160 0.000 2.840 421 T HA 0.597 4.947 4.350 0.000 0.000 0.287 421 T C -1.369 173.185 174.700 -0.244 0.000 0.991 421 T CA 0.009 62.042 62.100 -0.111 0.000 0.964 421 T CB 0.754 69.663 68.868 0.069 0.000 0.954 421 T HN 0.543 nan 8.240 nan 0.000 0.438 422 Y N 1.901 122.248 120.300 0.079 0.000 2.360 422 Y HA 0.632 5.182 4.550 0.000 0.000 0.337 422 Y C 0.852 176.792 175.900 0.068 0.000 1.039 422 Y CA -0.720 57.420 58.100 0.068 0.000 1.109 422 Y CB 1.698 40.150 38.460 -0.014 0.000 1.201 422 Y HN 0.717 nan 8.280 nan 0.000 0.458 423 S N 0.938 116.783 115.700 0.242 0.000 2.596 423 S HA 0.423 4.893 4.470 0.000 0.000 0.270 423 S C -0.701 173.989 174.600 0.150 0.000 1.155 423 S CA -1.092 57.204 58.200 0.161 0.000 0.827 423 S CB 1.525 64.786 63.200 0.102 0.000 1.130 423 S HN 0.741 nan 8.310 nan 0.000 0.467 424 N N -0.033 118.743 118.700 0.126 0.000 2.738 424 N HA -0.141 4.599 4.740 0.000 0.000 0.249 424 N C -0.813 174.767 175.510 0.116 0.000 1.047 424 N CA 0.665 53.780 53.050 0.109 0.000 0.707 424 N CB -1.630 36.898 38.487 0.069 0.000 0.937 424 N HN 0.726 nan 8.380 nan 0.000 0.545 425 I N 0.541 121.202 120.570 0.151 0.000 2.598 425 I HA -0.012 4.158 4.170 0.000 0.000 0.284 425 I C 0.723 176.929 176.117 0.148 0.000 1.140 425 I CA 0.586 61.937 61.300 0.086 0.000 1.420 425 I CB 0.406 38.466 38.000 0.099 0.000 1.387 425 I HN 0.102 nan 8.210 nan 0.000 0.553 426 K N 6.545 126.944 120.400 -0.002 0.000 2.422 426 K HA 0.602 4.922 4.320 0.000 0.000 0.251 426 K C -1.294 175.403 176.600 0.163 0.000 0.933 426 K CA -0.724 55.651 56.287 0.147 0.000 0.798 426 K CB 2.809 35.370 32.500 0.103 0.000 1.238 426 K HN 0.307 nan 8.250 nan 0.000 0.428 427 F N 0.503 120.589 119.950 0.226 0.000 2.581 427 F HA 0.737 5.264 4.527 0.000 0.000 0.311 427 F C -0.387 175.589 175.800 0.292 0.000 1.113 427 F CA -0.076 58.120 58.000 0.327 0.000 0.935 427 F CB 2.148 41.531 39.000 0.639 0.000 1.232 427 F HN 0.677 nan 8.300 nan 0.000 0.445 428 G N 3.859 112.376 108.800 -0.471 0.000 2.341 428 G HA2 0.425 4.385 3.960 0.000 0.000 0.299 428 G HA3 0.425 4.385 3.960 0.000 0.000 0.299 428 G C -3.431 171.281 174.900 -0.313 0.000 1.274 428 G CA -0.946 43.915 45.100 -0.398 0.000 0.853 428 G HN 0.402 nan 8.290 nan 0.000 0.493 429 P HA 0.363 nan 4.420 nan 0.000 0.270 429 P C 0.145 177.430 177.300 -0.026 0.000 1.223 429 P CA -0.311 62.744 63.100 -0.075 0.000 0.785 429 P CB 0.454 32.124 31.700 -0.051 0.000 0.923 430 I N 2.592 123.168 120.570 0.011 0.000 2.826 430 I HA -0.167 4.003 4.170 0.000 0.000 0.295 430 I C 1.022 177.133 176.117 -0.009 0.000 1.213 430 I CA 1.207 62.531 61.300 0.039 0.000 1.436 430 I CB -0.545 37.487 38.000 0.053 0.000 1.348 430 I HN 0.452 nan 8.210 nan 0.000 0.570 431 N N 2.296 120.990 118.700 -0.009 0.000 2.828 431 N HA -0.218 4.522 4.740 0.000 0.000 0.248 431 N C 1.132 176.518 175.510 -0.207 0.000 1.044 431 N CA 1.272 54.201 53.050 -0.200 0.000 0.851 431 N CB -1.296 37.037 38.487 -0.257 0.000 1.136 431 N HN 0.819 nan 8.380 nan 0.000 0.572 432 S N -1.698 113.959 115.700 -0.071 0.000 2.478 432 S HA -0.006 4.464 4.470 0.000 0.000 0.222 432 S C 1.750 176.349 174.600 -0.001 0.000 1.008 432 S CA 1.134 59.301 58.200 -0.055 0.000 0.928 432 S CB -0.139 63.040 63.200 -0.036 0.000 0.781 432 S HN 0.462 nan 8.310 nan 0.000 0.518 433 T N -0.622 113.995 114.554 0.105 0.000 3.100 433 T HA 0.393 4.743 4.350 0.000 0.000 0.253 433 T C 0.201 175.058 174.700 0.262 0.000 1.118 433 T CA -0.175 62.027 62.100 0.170 0.000 1.058 433 T CB -0.735 68.239 68.868 0.177 0.000 0.953 433 T HN 0.631 nan 8.240 nan 0.000 0.515 434 F N -0.152 119.767 119.950 -0.052 0.000 2.831 434 F HA 0.723 5.250 4.527 0.000 0.000 0.318 434 F C -0.622 175.133 175.800 -0.075 0.000 1.174 434 F CA -0.993 56.971 58.000 -0.060 0.000 0.918 434 F CB 0.936 39.892 39.000 -0.073 0.000 1.364 434 F HN 0.065 nan 8.300 nan 0.000 0.475 435 T N 0.000 114.415 114.554 -0.232 0.000 3.816 435 T HA 0.000 4.350 4.350 0.000 0.000 0.228 435 T CA 0.000 61.913 62.100 -0.312 0.000 1.349 435 T CB 0.000 68.807 68.868 -0.102 0.000 0.612 435 T HN 0.000 nan 8.240 nan 0.000 0.658