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 1rfu_1_E DATA FIRST_RESID 1 DATA SEQUENCE MEEECRVLSI QSHVVRGYVG NRAATFPLQV LGFEVDAVNS VQFSNHTGYS DATA SEQUENCE HWKGQVLNSD ELQELYDGLK LNHVNQYDYV LTGYTRDKSF LAMVVDIVQE DATA SEQUENCE LKQQNPRLVY VCDPVMGDQR NGEGAMYVPD DLLPVYREKV VPVADIITPN DATA SEQUENCE QFEAELLTGR KIHSQEEALE VMDMLHSMGP DTVVITSSNL LSPRGSDYLM DATA SEQUENCE ALGSQRTRAP DGSVVTQRIR MEMHKVDAVF VGTGDLFAAM LLAWTHKHPN DATA SEQUENCE NLKVACEKTV SAMHHVLQRT IKCAKAKSGE GVKPSPAQLE LRMVQSKKDI DATA SEQUENCE ESPEIVVQAT VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.213 176.300 -0.145 0.000 1.140 1 M CA 0.000 55.214 55.300 -0.143 0.000 0.988 1 M CB 0.000 32.436 32.600 -0.274 0.000 1.302 2 E N 0.260 120.401 120.200 -0.099 0.000 2.995 2 E HA 0.417 4.766 4.350 -0.000 0.000 0.203 2 E C -1.522 175.036 176.600 -0.071 0.000 0.980 2 E CA 0.056 56.408 56.400 -0.080 0.000 1.172 2 E CB 0.574 30.248 29.700 -0.043 0.000 1.088 2 E HN 0.727 nan 8.360 nan 0.000 0.463 3 E N -0.332 119.810 120.200 -0.096 0.000 2.359 3 E HA 0.363 4.713 4.350 -0.000 0.000 0.266 3 E C -0.648 175.894 176.600 -0.097 0.000 0.920 3 E CA -0.935 55.429 56.400 -0.059 0.000 0.788 3 E CB 0.897 30.598 29.700 0.002 0.000 1.279 3 E HN -0.097 nan 8.360 nan 0.000 0.438 4 E N 0.881 121.049 120.200 -0.053 0.000 1.814 4 E HA 0.144 4.494 4.350 -0.000 0.000 0.264 4 E C -0.975 175.608 176.600 -0.029 0.000 1.179 4 E CA -0.077 56.291 56.400 -0.052 0.000 0.972 4 E CB 0.054 29.738 29.700 -0.026 0.000 1.077 4 E HN 0.345 nan 8.360 nan 0.000 0.417 5 C N 3.328 122.575 119.300 -0.088 0.000 2.281 5 C HA 0.380 4.840 4.460 -0.000 0.000 0.323 5 C C 0.717 175.786 174.990 0.131 0.000 1.270 5 C CA -0.755 58.277 59.018 0.023 0.000 1.559 5 C CB 0.413 28.083 27.740 -0.116 0.000 2.239 5 C HN 0.563 nan 8.230 nan 0.000 0.488 6 R N 2.685 123.306 120.500 0.201 0.000 2.407 6 R HA 0.766 5.105 4.340 -0.000 0.000 0.303 6 R C -1.409 175.114 176.300 0.372 0.000 0.981 6 R CA -0.238 56.007 56.100 0.240 0.000 0.905 6 R CB 0.994 31.388 30.300 0.156 0.000 1.099 6 R HN 0.581 nan 8.270 nan 0.000 0.459 7 V N 5.719 125.825 119.914 0.321 0.000 2.531 7 V HA 0.275 4.395 4.120 -0.000 0.000 0.301 7 V C -0.844 175.326 176.094 0.127 0.000 1.034 7 V CA -0.942 61.498 62.300 0.232 0.000 0.865 7 V CB 1.548 33.401 31.823 0.051 0.000 0.995 7 V HN 0.619 nan 8.190 nan 0.000 0.424 8 L N 4.493 125.661 121.223 -0.092 0.000 2.288 8 L HA 0.570 4.910 4.340 -0.000 0.000 0.283 8 L C 0.293 177.062 176.870 -0.168 0.000 1.072 8 L CA 0.647 55.264 54.840 -0.372 0.000 0.862 8 L CB 1.014 42.409 42.059 -1.107 0.000 1.245 8 L HN 0.667 nan 8.230 nan 0.000 0.432 9 S N 5.880 121.545 115.700 -0.059 0.000 2.475 9 S HA 0.605 5.075 4.470 -0.000 0.000 0.281 9 S C -0.237 174.374 174.600 0.019 0.000 1.198 9 S CA -0.588 57.609 58.200 -0.005 0.000 1.063 9 S CB 0.192 63.402 63.200 0.018 0.000 0.972 9 S HN 0.555 nan 8.310 nan 0.000 0.486 10 I N 5.578 126.176 120.570 0.046 0.000 2.405 10 I HA 0.388 4.558 4.170 -0.000 0.000 0.280 10 I C -0.067 176.147 176.117 0.162 0.000 1.027 10 I CA -0.316 61.048 61.300 0.107 0.000 1.161 10 I CB 0.905 38.959 38.000 0.089 0.000 1.300 10 I HN 0.648 nan 8.210 nan 0.000 0.463 11 Q N 2.952 122.836 119.800 0.140 0.000 2.814 11 Q HA 0.405 4.745 4.340 -0.000 0.000 0.322 11 Q C -0.580 175.461 176.000 0.069 0.000 0.888 11 Q CA -1.040 54.841 55.803 0.131 0.000 0.768 11 Q CB 1.813 30.620 28.738 0.114 0.000 1.443 11 Q HN 0.611 nan 8.270 nan 0.000 0.497 12 S N -0.435 115.290 115.700 0.041 0.000 2.584 12 S HA 0.267 4.736 4.470 -0.000 0.000 0.270 12 S C -0.670 173.867 174.600 -0.105 0.000 1.346 12 S CA -0.222 57.909 58.200 -0.115 0.000 1.018 12 S CB 0.486 63.492 63.200 -0.325 0.000 0.899 12 S HN 0.661 nan 8.310 nan 0.000 0.542 13 H N -0.241 118.673 119.070 -0.260 0.000 2.679 13 H HA 0.612 5.167 4.556 -0.000 0.000 0.360 13 H C -0.946 174.251 175.328 -0.217 0.000 1.105 13 H CA -0.934 55.004 56.048 -0.183 0.000 1.196 13 H CB 1.639 31.332 29.762 -0.116 0.000 1.636 13 H HN 0.765 nan 8.280 nan 0.000 0.531 14 V N 3.304 122.883 119.914 -0.560 0.000 2.604 14 V HA 0.359 4.479 4.120 -0.000 0.000 0.305 14 V C 0.581 176.462 176.094 -0.356 0.000 1.043 14 V CA -0.738 61.384 62.300 -0.296 0.000 0.888 14 V CB 0.971 32.635 31.823 -0.266 0.000 0.995 14 V HN 0.732 nan 8.190 nan 0.000 0.429 15 V N 2.492 122.362 119.914 -0.074 0.000 2.233 15 V HA -0.067 4.052 4.120 -0.000 0.000 0.247 15 V C 1.542 177.542 176.094 -0.156 0.000 1.050 15 V CA 2.271 64.556 62.300 -0.025 0.000 1.010 15 V CB -0.446 31.385 31.823 0.013 0.000 0.637 15 V HN 1.021 nan 8.190 nan 0.000 0.444 16 R N -0.271 120.113 120.500 -0.194 0.000 2.532 16 R HA 0.530 4.870 4.340 -0.000 0.000 0.295 16 R C -0.039 176.080 176.300 -0.302 0.000 0.968 16 R CA 0.689 56.649 56.100 -0.232 0.000 0.916 16 R CB 1.316 31.501 30.300 -0.193 0.000 1.124 16 R HN 0.550 nan 8.270 nan 0.000 0.463 17 G N 2.131 110.704 108.800 -0.377 0.000 2.661 17 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.685 17 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.685 17 G C -1.786 172.660 174.900 -0.757 0.000 1.298 17 G CA -0.710 44.171 45.100 -0.365 0.000 0.855 17 G HN 0.532 nan 8.290 nan 0.000 0.560 18 Y N -0.748 119.560 120.300 0.012 0.000 2.388 18 Y HA 0.676 5.226 4.550 -0.000 0.000 0.328 18 Y C 0.598 176.502 175.900 0.006 0.000 0.963 18 Y CA -0.586 57.507 58.100 -0.012 0.000 1.240 18 Y CB 1.947 40.404 38.460 -0.005 0.000 1.118 18 Y HN 0.664 nan 8.280 nan 0.000 0.484 19 V N 1.602 121.519 119.914 0.005 0.000 3.174 19 V HA 0.672 4.791 4.120 -0.000 0.000 0.280 19 V C 0.218 176.261 176.094 -0.084 0.000 1.554 19 V CA -0.225 62.056 62.300 -0.031 0.000 1.016 19 V CB 1.731 33.512 31.823 -0.070 0.000 1.197 19 V HN 0.966 nan 8.190 nan 0.000 0.453 20 G N 3.783 112.544 108.800 -0.064 0.000 2.564 20 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.273 20 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.273 20 G C 0.699 175.598 174.900 -0.000 0.000 1.242 20 G CA 1.117 46.189 45.100 -0.046 0.000 0.951 20 G HN 1.034 nan 8.290 nan 0.000 0.564 21 N N 0.026 118.732 118.700 0.010 0.000 2.272 21 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 21 N C 2.429 177.967 175.510 0.047 0.000 1.014 21 N CA 1.175 54.254 53.050 0.049 0.000 0.870 21 N CB -0.091 38.446 38.487 0.085 0.000 0.975 21 N HN 0.370 nan 8.380 nan 0.000 0.433 22 R N 0.347 120.826 120.500 -0.036 0.000 2.096 22 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 22 R C 1.808 178.199 176.300 0.152 0.000 1.127 22 R CA 1.141 57.214 56.100 -0.044 0.000 0.968 22 R CB -0.462 29.664 30.300 -0.291 0.000 0.861 22 R HN 0.264 nan 8.270 nan 0.000 0.440 23 A N -0.053 122.850 122.820 0.139 0.000 2.081 23 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 23 A C 2.077 179.749 177.584 0.147 0.000 1.158 23 A CA 0.999 53.157 52.037 0.201 0.000 0.724 23 A CB 0.001 19.093 19.000 0.154 0.000 0.826 23 A HN 0.293 nan 8.150 nan 0.000 0.463 24 A N -0.859 122.024 122.820 0.104 0.000 1.984 24 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 24 A C 2.179 179.800 177.584 0.062 0.000 1.173 24 A CA 1.741 53.816 52.037 0.063 0.000 0.673 24 A CB -0.806 18.217 19.000 0.038 0.000 0.830 24 A HN 0.360 nan 8.150 nan 0.000 0.453 25 T N -0.430 114.187 114.554 0.104 0.000 2.737 25 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 25 T C 1.648 176.431 174.700 0.138 0.000 1.038 25 T CA 1.503 63.667 62.100 0.107 0.000 1.144 25 T CB -0.442 68.505 68.868 0.132 0.000 0.866 25 T HN 0.379 nan 8.240 nan 0.000 0.434 26 F N 3.214 123.191 119.950 0.044 0.000 2.046 26 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 26 F C -0.981 174.821 175.800 0.003 0.000 1.123 26 F CA 0.946 58.965 58.000 0.032 0.000 1.199 26 F CB -1.353 37.668 39.000 0.035 0.000 0.972 26 F HN 0.122 nan 8.300 nan 0.000 0.474 27 P HA -0.237 nan 4.420 nan 0.000 0.214 27 P C 2.160 179.370 177.300 -0.150 0.000 1.169 27 P CA 2.172 65.239 63.100 -0.056 0.000 0.908 27 P CB -0.207 31.495 31.700 0.003 0.000 0.791 28 L N -1.185 119.958 121.223 -0.133 0.000 2.081 28 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 28 L C 2.684 179.534 176.870 -0.032 0.000 1.080 28 L CA 1.671 56.426 54.840 -0.142 0.000 0.754 28 L CB -0.974 40.970 42.059 -0.191 0.000 0.893 28 L HN 0.100 nan 8.230 nan 0.000 0.433 29 Q N -0.294 119.452 119.800 -0.090 0.000 1.990 29 Q HA -0.177 4.162 4.340 -0.000 0.000 0.200 29 Q C 2.324 178.208 176.000 -0.194 0.000 0.980 29 Q CA 1.890 57.627 55.803 -0.110 0.000 0.832 29 Q CB -0.426 28.243 28.738 -0.114 0.000 0.897 29 Q HN 0.562 nan 8.270 nan 0.000 0.427 30 V N -1.118 118.569 119.914 -0.378 0.000 2.982 30 V HA -0.152 3.968 4.120 -0.000 0.000 0.265 30 V C 1.703 177.684 176.094 -0.189 0.000 1.122 30 V CA 1.399 63.489 62.300 -0.351 0.000 1.143 30 V CB -0.583 30.914 31.823 -0.545 0.000 0.726 30 V HN 0.266 nan 8.190 nan 0.000 0.507 31 L N 0.499 121.634 121.223 -0.146 0.000 2.509 31 L HA 0.435 4.775 4.340 -0.000 0.000 0.222 31 L C 2.019 178.828 176.870 -0.101 0.000 1.123 31 L CA 0.938 55.719 54.840 -0.098 0.000 0.856 31 L CB -0.001 41.991 42.059 -0.113 0.000 0.985 31 L HN 0.641 nan 8.230 nan 0.000 0.456 32 G N -1.006 107.730 108.800 -0.106 0.000 2.255 32 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.196 32 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.196 32 G C 0.111 174.832 174.900 -0.298 0.000 0.998 32 G CA -0.646 44.324 45.100 -0.216 0.000 0.656 32 G HN 0.067 nan 8.290 nan 0.000 0.490 33 F N 1.401 121.236 119.950 -0.192 0.000 2.410 33 F HA 0.632 5.159 4.527 -0.000 0.000 0.334 33 F C 0.780 176.519 175.800 -0.103 0.000 1.134 33 F CA -0.567 57.328 58.000 -0.174 0.000 1.227 33 F CB 1.051 39.910 39.000 -0.236 0.000 1.194 33 F HN 0.026 nan 8.300 nan 0.000 0.571 34 E N 1.685 121.945 120.200 0.099 0.000 2.167 34 E HA 0.449 4.799 4.350 -0.000 0.000 0.284 34 E C -1.354 175.322 176.600 0.127 0.000 1.016 34 E CA -0.306 56.141 56.400 0.077 0.000 0.817 34 E CB 0.791 30.522 29.700 0.051 0.000 1.080 34 E HN 0.339 nan 8.360 nan 0.000 0.397 35 V N 4.117 124.093 119.914 0.105 0.000 2.630 35 V HA 0.414 4.533 4.120 -0.000 0.000 0.305 35 V C -0.594 175.576 176.094 0.126 0.000 1.046 35 V CA -0.807 61.559 62.300 0.110 0.000 0.934 35 V CB 1.959 33.826 31.823 0.072 0.000 1.003 35 V HN 0.652 nan 8.190 nan 0.000 0.451 36 D N 2.687 123.175 120.400 0.145 0.000 2.505 36 D HA 0.657 5.297 4.640 -0.000 0.000 0.250 36 D C -0.348 176.003 176.300 0.085 0.000 1.164 36 D CA 0.080 54.174 54.000 0.157 0.000 0.870 36 D CB 1.768 42.757 40.800 0.314 0.000 1.160 36 D HN 0.801 nan 8.370 nan 0.000 0.549 37 A N 2.161 125.031 122.820 0.082 0.000 2.288 37 A HA 0.650 4.970 4.320 -0.000 0.000 0.320 37 A C -0.541 177.086 177.584 0.071 0.000 1.217 37 A CA -0.562 51.518 52.037 0.071 0.000 0.840 37 A CB 0.893 19.942 19.000 0.083 0.000 1.179 37 A HN 0.366 nan 8.150 nan 0.000 0.504 38 V N 4.053 124.012 119.914 0.074 0.000 2.409 38 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 38 V C -0.624 175.537 176.094 0.111 0.000 1.020 38 V CA -0.960 61.400 62.300 0.098 0.000 0.848 38 V CB 1.678 33.571 31.823 0.117 0.000 0.990 38 V HN 0.871 nan 8.190 nan 0.000 0.430 39 N N 3.054 121.802 118.700 0.080 0.000 2.500 39 N HA 0.118 4.857 4.740 -0.000 0.000 0.236 39 N C 1.291 176.796 175.510 -0.008 0.000 1.022 39 N CA -0.001 53.075 53.050 0.043 0.000 0.935 39 N CB 1.797 40.286 38.487 0.004 0.000 1.147 39 N HN 0.785 nan 8.380 nan 0.000 0.512 40 S N 0.639 116.304 115.700 -0.059 0.000 2.440 40 S HA -0.075 4.394 4.470 -0.000 0.000 0.238 40 S C 0.999 175.393 174.600 -0.344 0.000 1.010 40 S CA 0.653 58.616 58.200 -0.395 0.000 0.972 40 S CB -0.314 62.612 63.200 -0.456 0.000 0.774 40 S HN 0.441 nan 8.310 nan 0.000 0.501 41 V N -2.411 117.362 119.914 -0.235 0.000 3.204 41 V HA 0.660 4.780 4.120 -0.000 0.000 0.298 41 V C -1.546 174.381 176.094 -0.278 0.000 1.328 41 V CA -1.114 61.008 62.300 -0.296 0.000 1.035 41 V CB 1.903 33.339 31.823 -0.645 0.000 1.095 41 V HN 0.228 nan 8.190 nan 0.000 0.442 42 Q N 1.978 121.693 119.800 -0.142 0.000 2.337 42 Q HA 0.655 4.995 4.340 -0.000 0.000 0.264 42 Q C -2.240 173.929 176.000 0.281 0.000 1.007 42 Q CA -0.476 55.340 55.803 0.023 0.000 0.727 42 Q CB 1.497 30.255 28.738 0.033 0.000 1.256 42 Q HN 0.730 nan 8.270 nan 0.000 0.467 43 F N 0.158 120.168 119.950 0.100 0.000 2.594 43 F HA 0.366 4.893 4.527 -0.000 0.000 0.335 43 F C 1.675 177.501 175.800 0.044 0.000 1.058 43 F CA -0.974 57.093 58.000 0.112 0.000 0.981 43 F CB 1.372 40.447 39.000 0.125 0.000 1.289 43 F HN 0.674 nan 8.300 nan 0.000 0.490 44 S N 0.751 116.602 115.700 0.252 0.000 2.348 44 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 44 S C 0.266 174.833 174.600 -0.055 0.000 1.033 44 S CA 1.442 59.677 58.200 0.059 0.000 1.010 44 S CB -0.815 62.390 63.200 0.007 0.000 0.891 44 S HN 0.824 nan 8.310 nan 0.000 0.442 45 N N -0.141 118.515 118.700 -0.073 0.000 3.522 45 N HA 0.429 5.168 4.740 -0.000 0.000 0.328 45 N C -1.129 174.313 175.510 -0.112 0.000 1.623 45 N CA -0.852 52.020 53.050 -0.296 0.000 0.812 45 N CB 0.165 38.130 38.487 -0.870 0.000 2.008 45 N HN 0.450 nan 8.380 nan 0.000 0.601 46 H N -2.447 116.542 119.070 -0.135 0.000 2.481 46 H HA 0.372 4.927 4.556 -0.000 0.000 0.339 46 H C 0.691 175.983 175.328 -0.061 0.000 1.131 46 H CA -0.091 55.893 56.048 -0.107 0.000 1.301 46 H CB 0.759 30.462 29.762 -0.097 0.000 1.476 46 H HN 0.714 nan 8.280 nan 0.000 0.529 47 T N -0.546 113.928 114.554 -0.133 0.000 3.026 47 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 47 T C 2.001 176.750 174.700 0.083 0.000 1.149 47 T CA 0.860 62.756 62.100 -0.340 0.000 1.088 47 T CB -0.835 67.593 68.868 -0.732 0.000 0.857 47 T HN 0.814 nan 8.240 nan 0.000 0.551 48 G N -0.357 108.729 108.800 0.476 0.000 2.471 48 G HA2 0.062 4.022 3.960 -0.000 0.000 0.219 48 G HA3 0.062 4.022 3.960 -0.000 0.000 0.219 48 G C 0.231 175.207 174.900 0.127 0.000 1.125 48 G CA -0.216 45.074 45.100 0.317 0.000 0.775 48 G HN 0.585 nan 8.290 nan 0.000 0.548 49 Y N 0.477 120.752 120.300 -0.041 0.000 2.314 49 Y HA 0.194 4.743 4.550 -0.000 0.000 0.334 49 Y C 2.108 178.019 175.900 0.017 0.000 1.266 49 Y CA -0.122 57.947 58.100 -0.052 0.000 1.391 49 Y CB 1.156 39.566 38.460 -0.084 0.000 1.306 49 Y HN -0.016 nan 8.280 nan 0.000 0.558 50 S N -0.067 115.696 115.700 0.106 0.000 2.365 50 S HA -0.173 4.296 4.470 -0.000 0.000 0.225 50 S C 0.099 174.544 174.600 -0.258 0.000 1.039 50 S CA 1.237 59.359 58.200 -0.129 0.000 1.033 50 S CB -0.352 62.695 63.200 -0.255 0.000 0.887 50 S HN 0.543 nan 8.310 nan 0.000 0.447 51 H N -0.961 118.204 119.070 0.158 0.000 2.731 51 H HA 0.461 5.017 4.556 -0.001 0.000 0.368 51 H C -0.653 174.778 175.328 0.172 0.000 1.168 51 H CA -0.875 55.221 56.048 0.082 0.000 1.181 51 H CB 1.467 31.223 29.762 -0.011 0.000 1.743 51 H HN 0.480 nan 8.280 nan 0.000 0.547 52 W N 0.747 122.063 121.300 0.025 0.000 3.800 52 W HA 0.487 5.147 4.660 0.001 0.000 0.299 52 W C -2.104 174.311 176.519 -0.175 0.000 1.231 52 W CA -0.826 56.462 57.345 -0.095 0.000 1.232 52 W CB 1.130 30.516 29.460 -0.122 0.000 1.291 52 W HN 0.432 nan 8.180 nan 0.000 0.514 53 K N 1.868 122.212 120.400 -0.094 0.000 2.444 53 K HA 0.865 5.184 4.320 -0.000 0.000 0.252 53 K C -0.120 176.460 176.600 -0.034 0.000 0.993 53 K CA -0.790 55.341 56.287 -0.259 0.000 0.847 53 K CB 2.769 35.162 32.500 -0.177 0.000 1.340 53 K HN 0.862 nan 8.250 nan 0.000 0.446 54 G N 0.444 109.226 108.800 -0.031 0.000 2.324 54 G HA2 0.100 4.060 3.960 -0.000 0.000 0.293 54 G HA3 0.100 4.060 3.960 -0.000 0.000 0.293 54 G C -2.041 173.027 174.900 0.280 0.000 1.297 54 G CA -0.742 44.517 45.100 0.265 0.000 0.853 54 G HN 0.423 nan 8.290 nan 0.000 0.535 55 Q N -0.767 119.268 119.800 0.392 0.000 2.359 55 Q HA 0.832 5.172 4.340 -0.000 0.000 0.275 55 Q C -0.869 175.345 176.000 0.357 0.000 1.082 55 Q CA -1.026 54.948 55.803 0.285 0.000 0.849 55 Q CB 2.385 31.212 28.738 0.148 0.000 1.377 55 Q HN 0.772 nan 8.270 nan 0.000 0.452 56 V N 0.680 120.734 119.914 0.233 0.000 3.001 56 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 56 V C -0.594 175.526 176.094 0.044 0.000 1.099 56 V CA -0.939 61.450 62.300 0.147 0.000 0.989 56 V CB 1.947 33.886 31.823 0.194 0.000 1.040 56 V HN 0.623 nan 8.190 nan 0.000 0.434 57 L N 2.864 124.047 121.223 -0.067 0.000 2.334 57 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 57 L C -0.071 176.823 176.870 0.039 0.000 1.020 57 L CA 0.016 54.845 54.840 -0.018 0.000 0.812 57 L CB 1.697 43.746 42.059 -0.016 0.000 1.264 57 L HN 0.954 nan 8.230 nan 0.000 0.439 58 N N -1.582 117.213 118.700 0.158 0.000 2.453 58 N HA 0.352 5.092 4.740 -0.000 0.000 0.290 58 N C 0.533 176.201 175.510 0.262 0.000 1.250 58 N CA -0.355 52.815 53.050 0.200 0.000 0.815 58 N CB 0.813 39.370 38.487 0.117 0.000 1.381 58 N HN 0.432 nan 8.380 nan 0.000 0.510 59 S N -0.538 115.280 115.700 0.197 0.000 2.399 59 S HA -0.285 4.185 4.470 -0.000 0.000 0.235 59 S C 0.810 175.447 174.600 0.062 0.000 1.063 59 S CA 1.759 60.011 58.200 0.086 0.000 1.070 59 S CB -0.659 62.562 63.200 0.034 0.000 0.904 59 S HN 0.677 nan 8.310 nan 0.000 0.456 60 D N 1.501 121.946 120.400 0.075 0.000 2.117 60 D HA -0.047 4.592 4.640 -0.000 0.000 0.198 60 D C 2.154 178.500 176.300 0.076 0.000 0.982 60 D CA 1.212 55.248 54.000 0.061 0.000 0.828 60 D CB -0.393 40.439 40.800 0.053 0.000 0.967 60 D HN 0.629 nan 8.370 nan 0.000 0.464 61 E N 0.158 120.423 120.200 0.108 0.000 2.150 61 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 61 E C 2.074 178.757 176.600 0.138 0.000 0.985 61 E CA 0.332 56.801 56.400 0.116 0.000 0.814 61 E CB -0.052 29.724 29.700 0.126 0.000 0.752 61 E HN 0.156 nan 8.360 nan 0.000 0.466 62 L N 1.354 122.677 121.223 0.166 0.000 2.109 62 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 62 L C 2.434 179.336 176.870 0.052 0.000 1.086 62 L CA 1.710 56.609 54.840 0.099 0.000 0.760 62 L CB -0.423 41.546 42.059 -0.149 0.000 0.910 62 L HN -0.035 nan 8.230 nan 0.000 0.437 63 Q N 0.209 120.034 119.800 0.042 0.000 2.030 63 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 63 Q C 2.163 178.220 176.000 0.094 0.000 0.986 63 Q CA 2.311 58.156 55.803 0.070 0.000 0.843 63 Q CB -0.351 28.414 28.738 0.045 0.000 0.904 63 Q HN 0.621 nan 8.270 nan 0.000 0.420 64 E N -0.428 119.813 120.200 0.069 0.000 2.068 64 E HA -0.259 4.091 4.350 -0.000 0.000 0.207 64 E C 1.979 178.612 176.600 0.055 0.000 1.032 64 E CA 1.881 58.313 56.400 0.053 0.000 0.839 64 E CB -0.332 29.398 29.700 0.050 0.000 0.758 64 E HN 0.410 nan 8.360 nan 0.000 0.457 65 L N -0.439 120.831 121.223 0.079 0.000 1.989 65 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 65 L C 2.586 179.513 176.870 0.096 0.000 1.071 65 L CA 1.450 56.339 54.840 0.082 0.000 0.749 65 L CB -0.703 41.419 42.059 0.105 0.000 0.890 65 L HN 0.240 nan 8.230 nan 0.000 0.431 66 Y N 1.334 121.632 120.300 -0.004 0.000 2.128 66 Y HA -0.309 4.240 4.550 -0.001 0.000 0.284 66 Y C 2.372 178.270 175.900 -0.003 0.000 1.154 66 Y CA 1.769 59.865 58.100 -0.006 0.000 1.149 66 Y CB -0.420 38.019 38.460 -0.036 0.000 0.976 66 Y HN 0.230 nan 8.280 nan 0.000 0.505 67 D N -0.634 119.753 120.400 -0.022 0.000 2.133 67 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 67 D C 2.412 178.632 176.300 -0.133 0.000 0.997 67 D CA 1.571 55.513 54.000 -0.097 0.000 0.840 67 D CB -0.979 39.810 40.800 -0.019 0.000 0.947 67 D HN 0.513 nan 8.370 nan 0.000 0.452 68 G N 0.682 109.436 108.800 -0.076 0.000 2.491 68 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 68 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 68 G C 1.760 176.589 174.900 -0.118 0.000 1.180 68 G CA 0.704 45.760 45.100 -0.075 0.000 0.774 68 G HN 0.286 nan 8.290 nan 0.000 0.562 69 L N -0.156 120.988 121.223 -0.132 0.000 2.056 69 L HA -0.014 4.325 4.340 -0.000 0.000 0.207 69 L C 2.759 179.486 176.870 -0.238 0.000 1.078 69 L CA 1.320 56.075 54.840 -0.142 0.000 0.749 69 L CB -0.361 41.648 42.059 -0.083 0.000 0.901 69 L HN 0.136 nan 8.230 nan 0.000 0.433 70 K N 1.168 121.345 120.400 -0.372 0.000 1.987 70 K HA -0.184 4.136 4.320 -0.000 0.000 0.216 70 K C 1.972 178.395 176.600 -0.295 0.000 1.051 70 K CA 1.806 57.878 56.287 -0.359 0.000 0.942 70 K CB -0.824 31.442 32.500 -0.391 0.000 0.722 70 K HN 0.107 nan 8.250 nan 0.000 0.444 71 L N 0.889 121.948 121.223 -0.274 0.000 2.151 71 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 71 L C 1.732 178.288 176.870 -0.525 0.000 1.084 71 L CA 1.427 56.072 54.840 -0.324 0.000 0.764 71 L CB -0.482 41.459 42.059 -0.195 0.000 0.891 71 L HN 0.319 nan 8.230 nan 0.000 0.435 72 N N -1.720 116.744 118.700 -0.394 0.000 2.299 72 N HA -0.036 4.704 4.740 -0.000 0.000 0.187 72 N C -0.209 175.148 175.510 -0.255 0.000 1.099 72 N CA 0.188 53.041 53.050 -0.329 0.000 0.867 72 N CB 0.257 38.658 38.487 -0.142 0.000 0.974 72 N HN 0.348 nan 8.380 nan 0.000 0.477 73 H N -1.181 117.840 119.070 -0.081 0.000 2.931 73 H HA -0.071 4.485 4.556 -0.000 0.000 0.290 73 H C 0.503 175.776 175.328 -0.092 0.000 1.264 73 H CA 0.696 56.695 56.048 -0.082 0.000 1.140 73 H CB -2.006 27.719 29.762 -0.061 0.000 1.343 73 H HN 0.119 nan 8.280 nan 0.000 0.403 74 V N -1.605 118.288 119.914 -0.034 0.000 3.159 74 V HA 0.118 4.238 4.120 -0.000 0.000 0.333 74 V C 1.158 177.157 176.094 -0.157 0.000 1.424 74 V CA 0.099 62.350 62.300 -0.082 0.000 1.125 74 V CB 0.717 32.502 31.823 -0.063 0.000 1.075 74 V HN 0.418 nan 8.190 nan 0.000 0.482 75 N N 1.779 120.413 118.700 -0.110 0.000 3.245 75 N HA 0.199 4.939 4.740 -0.000 0.000 0.296 75 N C -0.384 175.066 175.510 -0.100 0.000 1.254 75 N CA 0.019 53.055 53.050 -0.023 0.000 1.190 75 N CB 0.388 38.844 38.487 -0.052 0.000 1.460 75 N HN 0.733 nan 8.380 nan 0.000 0.538 76 Q N 1.539 121.042 119.800 -0.496 0.000 2.275 76 Q HA 0.371 4.711 4.340 -0.000 0.000 0.266 76 Q C -1.365 174.225 176.000 -0.684 0.000 1.002 76 Q CA -0.545 55.043 55.803 -0.358 0.000 0.761 76 Q CB 1.561 30.174 28.738 -0.209 0.000 1.255 76 Q HN 0.402 nan 8.270 nan 0.000 0.446 77 Y N -0.144 120.191 120.300 0.057 0.000 2.662 77 Y HA 0.380 4.930 4.550 -0.000 0.000 0.335 77 Y C 0.679 176.616 175.900 0.061 0.000 1.066 77 Y CA -0.816 57.327 58.100 0.071 0.000 1.116 77 Y CB 1.543 40.050 38.460 0.080 0.000 1.308 77 Y HN 0.515 nan 8.280 nan 0.000 0.502 78 D N -1.152 119.415 120.400 0.279 0.000 2.473 78 D HA 0.102 4.741 4.640 -0.000 0.000 0.230 78 D C -0.801 175.491 176.300 -0.014 0.000 1.097 78 D CA 0.840 54.924 54.000 0.140 0.000 0.861 78 D CB 0.919 41.859 40.800 0.234 0.000 1.114 78 D HN 0.328 nan 8.370 nan 0.000 0.500 79 Y N -0.389 120.014 120.300 0.171 0.000 2.677 79 Y HA 0.500 5.049 4.550 -0.001 0.000 0.334 79 Y C -0.510 175.431 175.900 0.067 0.000 1.154 79 Y CA -0.960 57.209 58.100 0.115 0.000 1.070 79 Y CB 2.165 40.663 38.460 0.064 0.000 1.294 79 Y HN -0.434 nan 8.280 nan 0.000 0.475 80 V N 2.184 122.250 119.914 0.254 0.000 2.817 80 V HA 0.439 4.558 4.120 -0.000 0.000 0.303 80 V C -1.781 174.450 176.094 0.228 0.000 1.151 80 V CA -0.601 61.746 62.300 0.079 0.000 0.929 80 V CB 2.297 34.031 31.823 -0.148 0.000 1.030 80 V HN 0.483 nan 8.190 nan 0.000 0.427 81 L N 5.200 126.500 121.223 0.129 0.000 2.381 81 L HA 0.942 5.282 4.340 -0.000 0.000 0.274 81 L C -0.087 176.884 176.870 0.168 0.000 0.988 81 L CA 0.247 55.187 54.840 0.167 0.000 0.824 81 L CB 2.146 44.238 42.059 0.055 0.000 1.263 81 L HN 0.903 nan 8.230 nan 0.000 0.410 82 T N 1.234 115.950 114.554 0.271 0.000 2.893 82 T HA 0.973 5.323 4.350 -0.000 0.000 0.291 82 T C -0.177 174.667 174.700 0.240 0.000 1.028 82 T CA -0.055 62.192 62.100 0.246 0.000 0.995 82 T CB 1.912 70.964 68.868 0.308 0.000 1.051 82 T HN 0.849 nan 8.240 nan 0.000 0.470 83 G N 0.308 109.249 108.800 0.235 0.000 3.198 83 G HA2 0.419 4.379 3.960 -0.000 0.000 0.166 83 G HA3 0.419 4.379 3.960 -0.000 0.000 0.166 83 G C -1.168 173.897 174.900 0.276 0.000 1.134 83 G CA -0.945 44.301 45.100 0.242 0.000 0.941 83 G HN 0.803 nan 8.290 nan 0.000 0.639 84 Y N 2.121 122.497 120.300 0.127 0.000 2.916 84 Y HA 0.327 4.877 4.550 -0.001 0.000 0.344 84 Y C 0.026 175.961 175.900 0.057 0.000 1.282 84 Y CA 1.369 59.525 58.100 0.094 0.000 1.604 84 Y CB 0.081 38.536 38.460 -0.009 0.000 1.207 84 Y HN 0.367 nan 8.280 nan 0.000 0.561 85 T N 6.932 121.290 114.554 -0.327 0.000 2.889 85 T HA 0.406 4.756 4.350 -0.000 0.000 0.315 85 T C 0.208 174.708 174.700 -0.334 0.000 1.291 85 T CA -0.995 60.958 62.100 -0.245 0.000 1.028 85 T CB 1.859 70.725 68.868 -0.004 0.000 1.235 85 T HN 0.618 nan 8.240 nan 0.000 0.491 86 R N -0.016 120.373 120.500 -0.185 0.000 2.487 86 R HA 0.205 4.545 4.340 -0.000 0.000 0.272 86 R C -0.423 175.883 176.300 0.009 0.000 0.928 86 R CA -0.308 55.751 56.100 -0.067 0.000 1.077 86 R CB 0.619 30.955 30.300 0.059 0.000 1.265 86 R HN 0.435 nan 8.270 nan 0.000 0.537 87 D N 1.807 122.209 120.400 0.004 0.000 2.373 87 D HA 0.038 4.677 4.640 -0.000 0.000 0.227 87 D C 0.721 177.075 176.300 0.090 0.000 1.091 87 D CA -0.094 53.945 54.000 0.065 0.000 0.840 87 D CB 1.441 42.295 40.800 0.090 0.000 1.060 87 D HN -0.058 nan 8.370 nan 0.000 0.502 88 K N 2.249 122.680 120.400 0.051 0.000 2.063 88 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 88 K C 1.251 177.863 176.600 0.020 0.000 1.048 88 K CA 1.257 57.553 56.287 0.016 0.000 0.928 88 K CB 0.116 32.623 32.500 0.013 0.000 0.713 88 K HN 0.206 nan 8.250 nan 0.000 0.442 89 S N 0.738 116.469 115.700 0.051 0.000 2.359 89 S HA -0.158 4.311 4.470 -0.000 0.000 0.224 89 S C 1.555 176.182 174.600 0.046 0.000 1.035 89 S CA 1.510 59.734 58.200 0.040 0.000 1.018 89 S CB -0.555 62.682 63.200 0.061 0.000 0.876 89 S HN 0.420 nan 8.310 nan 0.000 0.448 90 F N 2.036 121.958 119.950 -0.046 0.000 2.046 90 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 90 F C 2.077 177.820 175.800 -0.096 0.000 1.123 90 F CA 1.315 59.282 58.000 -0.055 0.000 1.199 90 F CB -0.619 38.360 39.000 -0.035 0.000 0.972 90 F HN 0.127 nan 8.300 nan 0.000 0.474 91 L N 0.734 122.009 121.223 0.087 0.000 1.990 91 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 91 L C 2.526 179.285 176.870 -0.185 0.000 1.072 91 L CA 2.264 57.043 54.840 -0.101 0.000 0.755 91 L CB -1.547 40.373 42.059 -0.232 0.000 0.889 91 L HN 0.215 nan 8.230 nan 0.000 0.432 92 A N -0.620 122.114 122.820 -0.143 0.000 1.859 92 A HA -0.359 3.960 4.320 -0.000 0.000 0.217 92 A C 2.463 179.948 177.584 -0.166 0.000 1.198 92 A CA 2.753 54.711 52.037 -0.132 0.000 0.629 92 A CB -0.910 18.038 19.000 -0.087 0.000 0.830 92 A HN 0.648 nan 8.150 nan 0.000 0.446 93 M N -0.325 119.159 119.600 -0.194 0.000 2.106 93 M HA -0.160 4.320 4.480 -0.000 0.000 0.259 93 M C 1.895 177.998 176.300 -0.329 0.000 1.068 93 M CA 2.197 57.350 55.300 -0.245 0.000 1.100 93 M CB -0.362 32.077 32.600 -0.269 0.000 1.351 93 M HN 0.175 nan 8.290 nan 0.000 0.404 94 V N -0.006 119.671 119.914 -0.395 0.000 2.317 94 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 94 V C 2.360 178.251 176.094 -0.338 0.000 1.065 94 V CA 1.991 64.043 62.300 -0.413 0.000 1.049 94 V CB -0.870 30.744 31.823 -0.348 0.000 0.651 94 V HN 0.486 nan 8.190 nan 0.000 0.450 95 V N 0.231 120.001 119.914 -0.240 0.000 2.233 95 V HA -0.303 3.816 4.120 -0.000 0.000 0.247 95 V C 2.293 178.279 176.094 -0.181 0.000 1.050 95 V CA 2.405 64.601 62.300 -0.173 0.000 1.010 95 V CB -0.886 30.877 31.823 -0.100 0.000 0.637 95 V HN 0.543 nan 8.190 nan 0.000 0.444 96 D N 0.120 120.418 120.400 -0.170 0.000 2.133 96 D HA -0.203 4.436 4.640 -0.000 0.000 0.192 96 D C 2.017 178.199 176.300 -0.197 0.000 1.001 96 D CA 1.657 55.568 54.000 -0.148 0.000 0.844 96 D CB -0.386 40.333 40.800 -0.134 0.000 0.944 96 D HN 0.417 nan 8.370 nan 0.000 0.447 97 I N 0.418 120.796 120.570 -0.320 0.000 2.163 97 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 97 I C 2.396 178.323 176.117 -0.317 0.000 1.085 97 I CA 0.777 61.798 61.300 -0.465 0.000 1.347 97 I CB -0.425 37.136 38.000 -0.732 0.000 1.044 97 I HN -0.058 nan 8.210 nan 0.000 0.408 98 V N 0.625 120.346 119.914 -0.322 0.000 2.282 98 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 98 V C 2.462 178.471 176.094 -0.142 0.000 1.057 98 V CA 1.996 64.122 62.300 -0.290 0.000 1.032 98 V CB -0.910 30.668 31.823 -0.409 0.000 0.645 98 V HN 0.494 nan 8.190 nan 0.000 0.447 99 Q N -0.404 119.331 119.800 -0.107 0.000 2.050 99 Q HA -0.269 4.070 4.340 -0.000 0.000 0.202 99 Q C 2.426 178.411 176.000 -0.024 0.000 0.980 99 Q CA 1.898 57.673 55.803 -0.046 0.000 0.840 99 Q CB -0.270 28.445 28.738 -0.037 0.000 0.898 99 Q HN 0.745 nan 8.270 nan 0.000 0.424 100 E N 0.706 120.890 120.200 -0.027 0.000 2.130 100 E HA -0.222 4.127 4.350 -0.000 0.000 0.196 100 E C 1.905 178.535 176.600 0.050 0.000 0.998 100 E CA 0.903 57.317 56.400 0.023 0.000 0.806 100 E CB -0.021 29.714 29.700 0.058 0.000 0.738 100 E HN 0.321 nan 8.360 nan 0.000 0.459 101 L N 0.244 121.493 121.223 0.044 0.000 2.072 101 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 101 L C 2.647 179.547 176.870 0.049 0.000 1.079 101 L CA 1.001 55.889 54.840 0.080 0.000 0.752 101 L CB -0.287 41.830 42.059 0.097 0.000 0.906 101 L HN 0.019 nan 8.230 nan 0.000 0.436 102 K N -0.337 120.075 120.400 0.021 0.000 2.147 102 K HA -0.217 4.102 4.320 -0.000 0.000 0.205 102 K C 2.200 178.813 176.600 0.021 0.000 1.049 102 K CA 1.195 57.494 56.287 0.021 0.000 0.936 102 K CB 0.042 32.553 32.500 0.018 0.000 0.722 102 K HN 0.173 nan 8.250 nan 0.000 0.446 103 Q N 0.789 120.602 119.800 0.022 0.000 2.016 103 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 103 Q C 1.946 177.960 176.000 0.022 0.000 0.978 103 Q CA 1.595 57.410 55.803 0.020 0.000 0.833 103 Q CB -0.026 28.725 28.738 0.020 0.000 0.895 103 Q HN 0.309 nan 8.270 nan 0.000 0.427 104 Q N -0.082 119.736 119.800 0.031 0.000 2.061 104 Q HA -0.103 4.236 4.340 -0.000 0.000 0.204 104 Q C 0.411 176.424 176.000 0.022 0.000 0.984 104 Q CA 1.090 56.910 55.803 0.028 0.000 0.846 104 Q CB -0.139 28.624 28.738 0.043 0.000 0.902 104 Q HN 0.296 nan 8.270 nan 0.000 0.421 105 N N 0.047 118.763 118.700 0.027 0.000 2.573 105 N HA 0.145 4.884 4.740 -0.000 0.000 0.262 105 N C -2.458 173.060 175.510 0.014 0.000 1.029 105 N CA -1.776 51.286 53.050 0.019 0.000 0.882 105 N CB 1.523 40.025 38.487 0.025 0.000 1.204 105 N HN -0.217 nan 8.380 nan 0.000 0.519 106 P HA -0.045 nan 4.420 nan 0.000 0.223 106 P C 0.801 178.101 177.300 -0.002 0.000 1.151 106 P CA 0.795 63.899 63.100 0.006 0.000 0.787 106 P CB 0.224 31.927 31.700 0.006 0.000 0.788 107 R N -0.919 119.576 120.500 -0.009 0.000 2.299 107 R HA 0.125 4.465 4.340 -0.000 0.000 0.197 107 R C 0.968 177.231 176.300 -0.062 0.000 0.971 107 R CA -0.203 55.882 56.100 -0.025 0.000 1.030 107 R CB -0.676 29.613 30.300 -0.018 0.000 0.932 107 R HN 0.298 nan 8.270 nan 0.000 0.477 108 L N 1.626 122.820 121.223 -0.047 0.000 2.485 108 L HA 0.061 4.400 4.340 -0.000 0.000 0.275 108 L C -0.529 176.281 176.870 -0.100 0.000 1.207 108 L CA 0.039 54.831 54.840 -0.081 0.000 0.855 108 L CB 0.763 42.820 42.059 -0.004 0.000 1.114 108 L HN -0.253 nan 8.230 nan 0.000 0.485 109 V N 5.624 125.407 119.914 -0.219 0.000 2.495 109 V HA 0.265 4.384 4.120 -0.000 0.000 0.298 109 V C -0.807 175.354 176.094 0.110 0.000 1.031 109 V CA -0.453 61.781 62.300 -0.109 0.000 0.871 109 V CB 1.420 33.084 31.823 -0.264 0.000 0.988 109 V HN 0.668 nan 8.190 nan 0.000 0.432 110 Y N 4.344 124.657 120.300 0.023 0.000 2.356 110 Y HA 0.651 5.201 4.550 -0.000 0.000 0.334 110 Y C -0.566 175.379 175.900 0.075 0.000 0.958 110 Y CA -0.962 57.169 58.100 0.051 0.000 1.196 110 Y CB 1.645 40.118 38.460 0.021 0.000 1.137 110 Y HN 0.435 nan 8.280 nan 0.000 0.485 111 V N 6.876 126.932 119.914 0.236 0.000 2.406 111 V HA 0.138 4.258 4.120 -0.000 0.000 0.272 111 V C -0.176 175.848 176.094 -0.117 0.000 1.043 111 V CA -0.545 61.762 62.300 0.011 0.000 0.915 111 V CB 0.852 32.722 31.823 0.079 0.000 0.988 111 V HN 0.906 nan 8.190 nan 0.000 0.466 112 C N 4.926 124.039 119.300 -0.311 0.000 2.340 112 C HA 0.595 5.055 4.460 -0.000 0.000 0.323 112 C C -0.416 174.549 174.990 -0.042 0.000 1.260 112 C CA -0.660 58.219 59.018 -0.230 0.000 1.464 112 C CB 0.561 27.993 27.740 -0.512 0.000 2.156 112 C HN 0.908 nan 8.230 nan 0.000 0.476 113 D N 7.256 127.696 120.400 0.066 0.000 2.443 113 D HA 0.358 4.998 4.640 -0.000 0.000 0.221 113 D C -1.898 174.413 176.300 0.018 0.000 1.097 113 D CA -2.011 52.023 54.000 0.056 0.000 0.865 113 D CB 1.450 42.312 40.800 0.103 0.000 1.034 113 D HN 0.525 nan 8.370 nan 0.000 0.511 114 P HA -0.000 nan 4.420 nan 0.000 0.231 114 P C -0.215 176.792 177.300 -0.488 0.000 1.756 114 P CA -0.269 62.540 63.100 -0.484 0.000 0.990 114 P CB -0.116 31.349 31.700 -0.391 0.000 1.973 115 V N 3.324 123.089 119.914 -0.248 0.000 2.409 115 V HA 0.039 4.159 4.120 -0.000 0.000 0.270 115 V C 1.569 177.594 176.094 -0.115 0.000 1.019 115 V CA 1.010 63.279 62.300 -0.050 0.000 1.066 115 V CB -0.193 31.743 31.823 0.188 0.000 1.021 115 V HN 0.395 nan 8.190 nan 0.000 0.476 116 M N 3.015 122.502 119.600 -0.188 0.000 2.069 116 M HA 0.387 4.867 4.480 -0.000 0.000 0.208 116 M C 0.872 176.927 176.300 -0.409 0.000 1.459 116 M CA 0.580 55.760 55.300 -0.199 0.000 0.992 116 M CB 1.255 33.714 32.600 -0.234 0.000 1.566 116 M HN 0.683 nan 8.290 nan 0.000 0.571 117 G N -0.342 108.159 108.800 -0.498 0.000 2.721 117 G HA2 0.529 4.489 3.960 -0.000 0.000 0.296 117 G HA3 0.529 4.489 3.960 -0.000 0.000 0.296 117 G C -2.350 172.206 174.900 -0.573 0.000 1.383 117 G CA -0.235 44.481 45.100 -0.640 0.000 0.788 117 G HN 0.027 nan 8.290 nan 0.000 0.500 118 D N -0.712 119.358 120.400 -0.550 0.000 2.498 118 D HA 0.445 5.085 4.640 -0.000 0.000 0.247 118 D C 0.149 176.118 176.300 -0.551 0.000 1.070 118 D CA -0.432 53.384 54.000 -0.306 0.000 0.842 118 D CB 1.799 42.576 40.800 -0.038 0.000 1.361 118 D HN 0.383 nan 8.370 nan 0.000 0.484 119 Q N 1.825 121.456 119.800 -0.281 0.000 2.823 119 Q HA 0.253 4.593 4.340 -0.000 0.000 0.370 119 Q C -0.286 175.622 176.000 -0.153 0.000 1.110 119 Q CA -0.653 55.002 55.803 -0.247 0.000 0.990 119 Q CB 0.101 28.824 28.738 -0.025 0.000 1.383 119 Q HN 0.244 nan 8.270 nan 0.000 0.430 120 R N -0.162 120.235 120.500 -0.172 0.000 2.598 120 R HA 0.484 4.824 4.340 -0.000 0.000 0.279 120 R C -0.661 175.583 176.300 -0.093 0.000 0.984 120 R CA -0.573 55.467 56.100 -0.100 0.000 0.999 120 R CB 0.479 30.735 30.300 -0.074 0.000 1.114 120 R HN 0.232 nan 8.270 nan 0.000 0.493 121 N N 0.174 118.836 118.700 -0.063 0.000 2.747 121 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 121 N C 0.238 175.720 175.510 -0.047 0.000 1.107 121 N CA 1.632 54.651 53.050 -0.052 0.000 0.707 121 N CB -1.043 37.413 38.487 -0.053 0.000 1.054 121 N HN 1.154 nan 8.380 nan 0.000 0.555 122 G N -0.445 108.329 108.800 -0.043 0.000 3.050 122 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.234 122 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.234 122 G C -0.897 173.981 174.900 -0.036 0.000 1.521 122 G CA -0.047 45.036 45.100 -0.029 0.000 1.090 122 G HN 0.590 nan 8.290 nan 0.000 0.556 123 E N 1.124 121.302 120.200 -0.036 0.000 2.248 123 E HA 0.617 4.966 4.350 -0.000 0.000 0.272 123 E C 0.486 177.005 176.600 -0.135 0.000 1.008 123 E CA -0.388 55.992 56.400 -0.033 0.000 0.856 123 E CB 1.943 31.654 29.700 0.019 0.000 1.120 123 E HN 0.952 nan 8.360 nan 0.000 0.397 124 G N 0.366 108.985 108.800 -0.302 0.000 2.795 124 G HA2 0.681 4.640 3.960 -0.000 0.000 0.267 124 G HA3 0.681 4.640 3.960 -0.000 0.000 0.267 124 G C -1.259 173.292 174.900 -0.582 0.000 1.362 124 G CA -0.547 44.160 45.100 -0.654 0.000 1.048 124 G HN 0.690 nan 8.290 nan 0.000 0.547 125 A N -0.815 121.612 122.820 -0.656 0.000 2.515 125 A HA 0.693 5.013 4.320 -0.000 0.000 0.298 125 A C -0.230 177.280 177.584 -0.125 0.000 1.059 125 A CA -0.652 51.275 52.037 -0.184 0.000 0.698 125 A CB 1.261 20.222 19.000 -0.065 0.000 1.289 125 A HN 0.604 nan 8.150 nan 0.000 0.404 126 M N 1.466 121.172 119.600 0.177 0.000 2.243 126 M HA 0.204 4.684 4.480 -0.000 0.000 0.341 126 M C -0.198 176.157 176.300 0.092 0.000 1.130 126 M CA 0.350 55.726 55.300 0.127 0.000 1.162 126 M CB 0.250 32.928 32.600 0.130 0.000 1.497 126 M HN 0.775 nan 8.290 nan 0.000 0.456 127 Y N 0.650 121.019 120.300 0.116 0.000 2.751 127 Y HA 0.569 5.118 4.550 -0.001 0.000 0.289 127 Y C -0.437 175.526 175.900 0.105 0.000 1.110 127 Y CA -1.346 56.814 58.100 0.099 0.000 1.251 127 Y CB -0.991 37.521 38.460 0.088 0.000 1.178 127 Y HN 0.329 nan 8.280 nan 0.000 0.540 128 V N -3.975 116.093 119.914 0.257 0.000 3.188 128 V HA 0.741 4.861 4.120 -0.000 0.000 0.305 128 V C -3.029 173.137 176.094 0.119 0.000 1.232 128 V CA -3.105 59.288 62.300 0.156 0.000 1.043 128 V CB 1.832 33.697 31.823 0.070 0.000 1.068 128 V HN -0.172 nan 8.190 nan 0.000 0.439 129 P HA 0.229 nan 4.420 nan 0.000 0.267 129 P C -0.281 177.065 177.300 0.076 0.000 1.200 129 P CA 0.240 63.393 63.100 0.089 0.000 0.772 129 P CB 0.413 32.161 31.700 0.081 0.000 0.855 130 D N 0.830 121.270 120.400 0.067 0.000 2.178 130 D HA -0.195 4.445 4.640 -0.000 0.000 0.201 130 D C 0.974 177.305 176.300 0.052 0.000 0.980 130 D CA 1.415 55.449 54.000 0.056 0.000 0.842 130 D CB -0.686 40.141 40.800 0.046 0.000 0.948 130 D HN 0.543 nan 8.370 nan 0.000 0.472 131 D N 0.317 120.746 120.400 0.050 0.000 2.411 131 D HA -0.152 4.488 4.640 -0.000 0.000 0.226 131 D C 1.493 177.820 176.300 0.045 0.000 0.988 131 D CA 0.546 54.570 54.000 0.041 0.000 0.938 131 D CB -0.338 40.483 40.800 0.035 0.000 0.883 131 D HN 0.291 nan 8.370 nan 0.000 0.525 132 L N -0.709 120.558 121.223 0.073 0.000 2.307 132 L HA 0.063 4.402 4.340 -0.000 0.000 0.211 132 L C 2.019 179.002 176.870 0.187 0.000 1.099 132 L CA -0.048 54.859 54.840 0.111 0.000 0.816 132 L CB -0.240 41.932 42.059 0.188 0.000 0.952 132 L HN 0.121 nan 8.230 nan 0.000 0.455 133 L N 1.761 123.062 121.223 0.131 0.000 1.990 133 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 133 L C -0.361 176.563 176.870 0.090 0.000 1.072 133 L CA 2.376 57.274 54.840 0.096 0.000 0.755 133 L CB -1.729 40.337 42.059 0.011 0.000 0.889 133 L HN 0.078 nan 8.230 nan 0.000 0.432 134 P HA -0.169 nan 4.420 nan 0.000 0.215 134 P C 1.995 179.315 177.300 0.035 0.000 1.157 134 P CA 2.081 65.201 63.100 0.033 0.000 0.874 134 P CB -0.159 31.553 31.700 0.020 0.000 0.790 135 V N -0.992 118.933 119.914 0.019 0.000 2.287 135 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 135 V C 2.668 178.747 176.094 -0.025 0.000 1.053 135 V CA 1.883 64.162 62.300 -0.035 0.000 1.027 135 V CB -1.703 30.055 31.823 -0.109 0.000 0.646 135 V HN -0.020 nan 8.190 nan 0.000 0.447 136 Y N -0.133 120.165 120.300 -0.003 0.000 2.145 136 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 136 Y C 2.890 178.780 175.900 -0.016 0.000 1.145 136 Y CA 1.912 60.009 58.100 -0.005 0.000 1.148 136 Y CB -0.170 38.278 38.460 -0.020 0.000 0.981 136 Y HN 0.007 nan 8.280 nan 0.000 0.507 137 R N 0.314 120.902 120.500 0.147 0.000 2.081 137 R HA -0.181 4.158 4.340 -0.000 0.000 0.235 137 R C 1.554 177.879 176.300 0.041 0.000 1.131 137 R CA 2.003 58.141 56.100 0.064 0.000 0.960 137 R CB -0.060 30.258 30.300 0.031 0.000 0.856 137 R HN 0.472 nan 8.270 nan 0.000 0.436 138 E N -1.293 118.927 120.200 0.034 0.000 2.340 138 E HA 0.028 4.378 4.350 -0.000 0.000 0.198 138 E C 1.595 178.205 176.600 0.016 0.000 0.961 138 E CA 0.264 56.676 56.400 0.019 0.000 0.905 138 E CB 0.579 30.285 29.700 0.011 0.000 0.884 138 E HN 0.093 nan 8.360 nan 0.000 0.491 139 K N 0.087 120.493 120.400 0.010 0.000 2.350 139 K HA 0.128 4.447 4.320 -0.000 0.000 0.196 139 K C 1.921 178.535 176.600 0.023 0.000 1.084 139 K CA 0.352 56.640 56.287 0.002 0.000 0.967 139 K CB 0.909 33.392 32.500 -0.027 0.000 0.950 139 K HN -0.049 nan 8.250 nan 0.000 0.512 140 V N 1.109 121.047 119.914 0.039 0.000 2.326 140 V HA -0.136 3.983 4.120 -0.000 0.000 0.238 140 V C 2.344 178.502 176.094 0.107 0.000 1.038 140 V CA 1.030 63.390 62.300 0.100 0.000 1.032 140 V CB -0.393 31.503 31.823 0.122 0.000 0.675 140 V HN -0.106 nan 8.190 nan 0.000 0.467 141 V N 0.784 120.751 119.914 0.089 0.000 2.324 141 V HA -0.203 3.916 4.120 -0.000 0.000 0.250 141 V C 0.114 176.220 176.094 0.021 0.000 1.060 141 V CA 2.668 64.987 62.300 0.032 0.000 1.042 141 V CB -2.128 29.707 31.823 0.021 0.000 0.650 141 V HN 0.481 nan 8.190 nan 0.000 0.450 142 P HA -0.176 nan 4.420 nan 0.000 0.216 142 P C 1.824 179.150 177.300 0.044 0.000 1.157 142 P CA 1.607 64.727 63.100 0.034 0.000 0.880 142 P CB -0.054 31.666 31.700 0.032 0.000 0.791 143 V N -2.034 117.923 119.914 0.072 0.000 3.623 143 V HA 0.304 4.423 4.120 -0.000 0.000 0.271 143 V C 0.689 176.867 176.094 0.140 0.000 1.248 143 V CA 0.160 62.529 62.300 0.114 0.000 1.156 143 V CB -1.287 30.626 31.823 0.150 0.000 0.870 143 V HN -0.020 nan 8.190 nan 0.000 0.453 144 A N -0.287 122.535 122.820 0.003 0.000 2.354 144 A HA 0.383 4.703 4.320 -0.000 0.000 0.269 144 A C 0.756 178.280 177.584 -0.101 0.000 1.109 144 A CA -0.121 51.789 52.037 -0.213 0.000 0.800 144 A CB 0.303 19.078 19.000 -0.375 0.000 1.045 144 A HN 0.437 nan 8.150 nan 0.000 0.489 145 D N 0.516 120.857 120.400 -0.098 0.000 2.355 145 D HA 0.191 4.830 4.640 -0.000 0.000 0.206 145 D C -0.052 176.239 176.300 -0.016 0.000 1.010 145 D CA 1.206 55.200 54.000 -0.010 0.000 0.875 145 D CB 0.409 41.233 40.800 0.039 0.000 0.966 145 D HN 0.507 nan 8.370 nan 0.000 0.512 146 I N 1.761 122.287 120.570 -0.075 0.000 2.649 146 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 146 I C -0.810 175.250 176.117 -0.095 0.000 1.222 146 I CA -0.803 60.469 61.300 -0.046 0.000 1.046 146 I CB 2.520 40.524 38.000 0.006 0.000 1.272 146 I HN -0.222 nan 8.210 nan 0.000 0.425 147 I N 2.159 122.683 120.570 -0.077 0.000 2.603 147 I HA 0.690 4.860 4.170 -0.000 0.000 0.300 147 I C 0.092 176.203 176.117 -0.009 0.000 1.017 147 I CA -0.496 60.760 61.300 -0.073 0.000 1.098 147 I CB 2.292 40.234 38.000 -0.097 0.000 1.279 147 I HN 0.598 nan 8.210 nan 0.000 0.437 148 T N 1.346 115.913 114.554 0.022 0.000 3.466 148 T HA 0.459 4.808 4.350 -0.000 0.000 0.297 148 T C -2.441 172.276 174.700 0.029 0.000 1.640 148 T CA -1.519 60.643 62.100 0.103 0.000 1.631 148 T CB 0.085 69.091 68.868 0.231 0.000 0.928 148 T HN 0.518 nan 8.240 nan 0.000 0.688 149 P HA 0.258 nan 4.420 nan 0.000 0.276 149 P C -0.460 176.805 177.300 -0.059 0.000 1.252 149 P CA -0.483 62.578 63.100 -0.066 0.000 0.802 149 P CB 1.054 32.698 31.700 -0.094 0.000 1.035 150 N N 0.311 118.976 118.700 -0.058 0.000 2.518 150 N HA -0.008 4.731 4.740 -0.000 0.000 0.283 150 N C 1.423 176.928 175.510 -0.008 0.000 1.119 150 N CA -0.374 52.662 53.050 -0.022 0.000 0.983 150 N CB 0.658 39.158 38.487 0.021 0.000 1.139 150 N HN 0.450 nan 8.380 nan 0.000 0.465 151 Q N 2.785 122.592 119.800 0.011 0.000 2.062 151 Q HA -0.269 4.071 4.340 -0.000 0.000 0.209 151 Q C 1.487 177.518 176.000 0.052 0.000 0.996 151 Q CA 1.896 57.711 55.803 0.020 0.000 0.859 151 Q CB -0.132 28.627 28.738 0.036 0.000 0.920 151 Q HN 0.767 nan 8.270 nan 0.000 0.415 152 F N 1.496 121.402 119.950 -0.073 0.000 2.025 152 F HA -0.260 4.267 4.527 -0.001 0.000 0.297 152 F C 1.952 177.692 175.800 -0.100 0.000 1.132 152 F CA 2.418 60.368 58.000 -0.083 0.000 1.191 152 F CB -0.539 38.398 39.000 -0.104 0.000 0.963 152 F HN 0.198 nan 8.300 nan 0.000 0.481 153 E N 0.350 120.428 120.200 -0.204 0.000 2.049 153 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 153 E C 2.373 178.804 176.600 -0.281 0.000 1.007 153 E CA 1.375 57.565 56.400 -0.351 0.000 0.809 153 E CB -0.680 28.887 29.700 -0.221 0.000 0.749 153 E HN 0.516 nan 8.360 nan 0.000 0.450 154 A N 1.632 124.350 122.820 -0.169 0.000 1.903 154 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 154 A C 2.000 179.501 177.584 -0.137 0.000 1.191 154 A CA 2.089 54.047 52.037 -0.131 0.000 0.638 154 A CB -0.659 18.290 19.000 -0.086 0.000 0.823 154 A HN 0.270 nan 8.150 nan 0.000 0.451 155 E N -0.784 119.331 120.200 -0.143 0.000 2.023 155 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 155 E C 1.971 178.461 176.600 -0.184 0.000 1.003 155 E CA 1.253 57.578 56.400 -0.125 0.000 0.809 155 E CB -0.424 29.220 29.700 -0.093 0.000 0.755 155 E HN 0.450 nan 8.360 nan 0.000 0.449 156 L N 1.033 122.059 121.223 -0.329 0.000 2.103 156 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 156 L C 2.213 178.962 176.870 -0.202 0.000 1.080 156 L CA 1.575 56.210 54.840 -0.342 0.000 0.764 156 L CB -0.250 41.475 42.059 -0.556 0.000 0.890 156 L HN 0.132 nan 8.230 nan 0.000 0.435 157 L N -1.809 119.309 121.223 -0.176 0.000 2.049 157 L HA -0.134 4.206 4.340 -0.000 0.000 0.203 157 L C 2.306 179.131 176.870 -0.075 0.000 1.074 157 L CA 1.577 56.351 54.840 -0.109 0.000 0.749 157 L CB -1.112 40.885 42.059 -0.103 0.000 0.907 157 L HN 0.376 nan 8.230 nan 0.000 0.439 158 T N -2.603 111.907 114.554 -0.074 0.000 3.163 158 T HA 0.091 4.441 4.350 -0.000 0.000 0.260 158 T C 1.510 176.185 174.700 -0.041 0.000 1.156 158 T CA 0.480 62.551 62.100 -0.048 0.000 1.072 158 T CB -0.215 68.626 68.868 -0.043 0.000 0.937 158 T HN 0.552 nan 8.240 nan 0.000 0.528 159 G N 1.454 110.219 108.800 -0.057 0.000 2.175 159 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.265 159 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.265 159 G C 0.389 175.272 174.900 -0.029 0.000 0.979 159 G CA 0.593 45.665 45.100 -0.046 0.000 0.663 159 G HN 0.681 nan 8.290 nan 0.000 0.533 160 R N -0.895 119.591 120.500 -0.024 0.000 2.936 160 R HA 0.836 5.176 4.340 -0.000 0.000 0.218 160 R C -0.182 176.130 176.300 0.021 0.000 1.528 160 R CA -0.728 55.377 56.100 0.009 0.000 1.005 160 R CB 0.831 31.145 30.300 0.022 0.000 2.099 160 R HN 0.105 nan 8.270 nan 0.000 0.527 161 K N 0.952 121.399 120.400 0.078 0.000 2.550 161 K HA 0.313 4.633 4.320 -0.000 0.000 0.252 161 K C -1.253 175.472 176.600 0.209 0.000 0.943 161 K CA -0.503 55.854 56.287 0.117 0.000 0.806 161 K CB 1.222 33.786 32.500 0.107 0.000 1.289 161 K HN 0.316 nan 8.250 nan 0.000 0.435 162 I N 4.783 125.427 120.570 0.123 0.000 2.472 162 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 162 I C 0.735 176.930 176.117 0.130 0.000 1.016 162 I CA -0.186 61.124 61.300 0.016 0.000 1.348 162 I CB 0.816 38.803 38.000 -0.022 0.000 1.417 162 I HN 0.835 nan 8.210 nan 0.000 0.521 163 H N 1.730 120.803 119.070 0.006 0.000 3.233 163 H HA 0.321 4.877 4.556 -0.000 0.000 0.252 163 H C -0.301 175.030 175.328 0.005 0.000 1.175 163 H CA -0.310 55.741 56.048 0.006 0.000 1.018 163 H CB 0.159 29.924 29.762 0.006 0.000 2.006 163 H HN 0.577 nan 8.280 nan 0.000 0.714 164 S N -0.688 114.920 115.700 -0.153 0.000 2.595 164 S HA 0.105 4.574 4.470 -0.000 0.000 0.270 164 S C 0.574 175.118 174.600 -0.094 0.000 1.145 164 S CA -0.561 57.580 58.200 -0.099 0.000 0.825 164 S CB 2.939 66.069 63.200 -0.116 0.000 1.107 164 S HN 0.161 nan 8.310 nan 0.000 0.461 165 Q N 0.705 120.473 119.800 -0.054 0.000 2.061 165 Q HA -0.180 4.159 4.340 -0.000 0.000 0.204 165 Q C 1.686 177.653 176.000 -0.054 0.000 0.984 165 Q CA 2.142 57.920 55.803 -0.042 0.000 0.846 165 Q CB -0.328 28.394 28.738 -0.026 0.000 0.902 165 Q HN 0.836 nan 8.270 nan 0.000 0.421 166 E N -0.015 120.149 120.200 -0.060 0.000 2.019 166 E HA -0.270 4.080 4.350 -0.000 0.000 0.208 166 E C 1.903 178.453 176.600 -0.084 0.000 1.030 166 E CA 1.613 57.978 56.400 -0.059 0.000 0.856 166 E CB -0.045 29.620 29.700 -0.058 0.000 0.781 166 E HN 0.345 nan 8.360 nan 0.000 0.471 167 E N -0.093 120.017 120.200 -0.150 0.000 2.200 167 E HA -0.342 4.007 4.350 -0.000 0.000 0.211 167 E C 1.842 178.369 176.600 -0.120 0.000 1.048 167 E CA 1.365 57.644 56.400 -0.202 0.000 0.851 167 E CB -0.433 28.996 29.700 -0.450 0.000 0.747 167 E HN 0.398 nan 8.360 nan 0.000 0.462 168 A N 1.253 124.015 122.820 -0.097 0.000 1.825 168 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 168 A C 2.445 180.007 177.584 -0.036 0.000 1.206 168 A CA 1.341 53.343 52.037 -0.057 0.000 0.609 168 A CB -0.980 17.994 19.000 -0.043 0.000 0.851 168 A HN 0.204 nan 8.150 nan 0.000 0.445 169 L N -0.338 120.869 121.223 -0.025 0.000 2.151 169 L HA -0.317 4.022 4.340 -0.000 0.000 0.215 169 L C 2.629 179.502 176.870 0.005 0.000 1.084 169 L CA 1.918 56.756 54.840 -0.002 0.000 0.764 169 L CB -0.683 41.376 42.059 -0.001 0.000 0.891 169 L HN 0.555 nan 8.230 nan 0.000 0.435 170 E N -0.579 119.613 120.200 -0.013 0.000 2.015 170 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 170 E C 2.238 178.838 176.600 0.000 0.000 0.991 170 E CA 1.401 57.798 56.400 -0.005 0.000 0.802 170 E CB -0.215 29.474 29.700 -0.019 0.000 0.759 170 E HN 0.256 nan 8.360 nan 0.000 0.447 171 V N 1.475 121.378 119.914 -0.018 0.000 2.370 171 V HA -0.327 3.793 4.120 -0.000 0.000 0.252 171 V C 2.317 178.395 176.094 -0.027 0.000 1.068 171 V CA 1.823 64.108 62.300 -0.025 0.000 1.061 171 V CB -0.461 31.338 31.823 -0.040 0.000 0.656 171 V HN 0.320 nan 8.190 nan 0.000 0.455 172 M N -0.702 118.887 119.600 -0.018 0.000 2.132 172 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 172 M C 1.987 178.322 176.300 0.058 0.000 1.065 172 M CA 1.762 57.037 55.300 -0.042 0.000 1.122 172 M CB -0.513 32.084 32.600 -0.005 0.000 1.365 172 M HN 0.335 nan 8.290 nan 0.000 0.411 173 D N 0.335 120.811 120.400 0.128 0.000 2.097 173 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 173 D C 1.960 178.333 176.300 0.120 0.000 0.989 173 D CA 1.446 55.550 54.000 0.174 0.000 0.827 173 D CB -0.289 40.559 40.800 0.081 0.000 0.966 173 D HN 0.366 nan 8.370 nan 0.000 0.456 174 M N 0.037 119.668 119.600 0.052 0.000 2.108 174 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 174 M C 2.376 178.688 176.300 0.019 0.000 1.066 174 M CA 1.139 56.456 55.300 0.027 0.000 1.107 174 M CB -0.382 32.220 32.600 0.003 0.000 1.356 174 M HN 0.021 nan 8.290 nan 0.000 0.406 175 L N -1.018 120.196 121.223 -0.015 0.000 1.976 175 L HA -0.267 4.073 4.340 -0.000 0.000 0.209 175 L C 2.703 179.555 176.870 -0.029 0.000 1.071 175 L CA 1.316 56.119 54.840 -0.062 0.000 0.746 175 L CB -1.202 40.771 42.059 -0.143 0.000 0.890 175 L HN 0.340 nan 8.230 nan 0.000 0.432 176 H N -0.417 118.649 119.070 -0.007 0.000 2.292 176 H HA -0.242 4.313 4.556 -0.000 0.000 0.292 176 H C 2.627 177.953 175.328 -0.003 0.000 1.100 176 H CA 2.112 58.158 56.048 -0.004 0.000 1.238 176 H CB -0.598 29.163 29.762 -0.001 0.000 1.355 176 H HN 0.396 nan 8.280 nan 0.000 0.484 177 S N 0.558 116.346 115.700 0.147 0.000 2.413 177 S HA -0.235 4.235 4.470 -0.000 0.000 0.237 177 S C 2.142 176.771 174.600 0.049 0.000 1.044 177 S CA 1.957 60.200 58.200 0.073 0.000 1.024 177 S CB -0.392 62.838 63.200 0.050 0.000 0.829 177 S HN 0.374 nan 8.310 nan 0.000 0.475 178 M N 0.001 119.624 119.600 0.038 0.000 2.492 178 M HA 0.245 4.725 4.480 -0.000 0.000 0.262 178 M C 1.862 178.178 176.300 0.026 0.000 1.090 178 M CA 0.921 56.235 55.300 0.023 0.000 1.110 178 M CB 0.068 32.673 32.600 0.008 0.000 1.407 178 M HN 0.660 nan 8.290 nan 0.000 0.470 179 G N -0.467 108.356 108.800 0.038 0.000 4.399 179 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.158 179 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.158 179 G C -2.460 172.471 174.900 0.051 0.000 1.911 179 G CA -0.666 44.456 45.100 0.038 0.000 0.926 179 G HN 0.203 nan 8.290 nan 0.000 0.292 180 P HA 0.187 nan 4.420 nan 0.000 0.264 180 P C -0.645 176.752 177.300 0.161 0.000 1.179 180 P CA 0.691 63.805 63.100 0.023 0.000 0.763 180 P CB 0.893 32.553 31.700 -0.067 0.000 0.806 181 D N 0.439 120.948 120.400 0.182 0.000 2.417 181 D HA 0.038 4.678 4.640 -0.000 0.000 0.207 181 D C 0.038 176.554 176.300 0.361 0.000 1.075 181 D CA 0.830 55.006 54.000 0.292 0.000 0.851 181 D CB 0.504 41.377 40.800 0.122 0.000 0.976 181 D HN 0.352 nan 8.370 nan 0.000 0.505 182 T N 1.242 115.909 114.554 0.189 0.000 2.809 182 T HA 0.462 4.811 4.350 -0.000 0.000 0.284 182 T C -0.326 174.369 174.700 -0.009 0.000 0.992 182 T CA -0.459 61.727 62.100 0.143 0.000 0.957 182 T CB 2.754 71.681 68.868 0.099 0.000 0.942 182 T HN -0.303 nan 8.240 nan 0.000 0.439 183 V N 3.687 123.554 119.914 -0.078 0.000 2.709 183 V HA 0.697 4.817 4.120 -0.000 0.000 0.308 183 V C -0.777 175.296 176.094 -0.035 0.000 1.062 183 V CA -0.718 61.484 62.300 -0.163 0.000 0.901 183 V CB 2.239 33.793 31.823 -0.448 0.000 1.003 183 V HN 0.719 nan 8.190 nan 0.000 0.425 184 V N 5.373 125.292 119.914 0.009 0.000 2.623 184 V HA 0.472 4.591 4.120 -0.000 0.000 0.304 184 V C -0.784 175.330 176.094 0.033 0.000 1.054 184 V CA -0.512 61.831 62.300 0.072 0.000 0.882 184 V CB 2.104 34.054 31.823 0.212 0.000 1.002 184 V HN 0.630 nan 8.190 nan 0.000 0.424 185 I N 4.588 125.158 120.570 0.001 0.000 2.281 185 I HA 0.162 4.331 4.170 -0.000 0.000 0.293 185 I C 1.867 177.939 176.117 -0.074 0.000 1.085 185 I CA 0.021 61.299 61.300 -0.037 0.000 1.257 185 I CB 0.731 38.712 38.000 -0.033 0.000 1.430 185 I HN 0.858 nan 8.210 nan 0.000 0.489 186 T N 1.592 116.052 114.554 -0.156 0.000 2.946 186 T HA -0.039 4.311 4.350 -0.000 0.000 0.271 186 T C 0.681 175.244 174.700 -0.228 0.000 1.104 186 T CA 0.930 62.815 62.100 -0.357 0.000 1.114 186 T CB -0.180 68.358 68.868 -0.550 0.000 0.867 186 T HN 0.693 nan 8.240 nan 0.000 0.513 187 S N -1.026 114.603 115.700 -0.119 0.000 2.686 187 S HA 0.540 5.010 4.470 -0.000 0.000 0.273 187 S C -0.966 173.616 174.600 -0.030 0.000 1.060 187 S CA -0.445 57.715 58.200 -0.067 0.000 0.845 187 S CB 1.205 64.362 63.200 -0.072 0.000 1.086 187 S HN 1.369 nan 8.310 nan 0.000 0.461 188 S N 0.095 115.789 115.700 -0.011 0.000 2.643 188 S HA 0.467 4.937 4.470 -0.000 0.000 0.266 188 S C -0.391 174.216 174.600 0.012 0.000 1.130 188 S CA -0.482 57.720 58.200 0.003 0.000 0.817 188 S CB 0.258 63.459 63.200 0.002 0.000 1.107 188 S HN 0.807 nan 8.310 nan 0.000 0.471 189 N N 0.289 119.000 118.700 0.018 0.000 2.457 189 N HA 0.062 4.802 4.740 -0.000 0.000 0.180 189 N C 0.235 175.759 175.510 0.023 0.000 1.050 189 N CA 0.139 53.202 53.050 0.022 0.000 0.906 189 N CB -0.864 37.638 38.487 0.024 0.000 0.968 189 N HN 0.510 nan 8.380 nan 0.000 0.445 190 L N 2.351 123.585 121.223 0.018 0.000 2.862 190 L HA -0.152 4.187 4.340 -0.000 0.000 0.297 190 L C 0.523 177.403 176.870 0.018 0.000 1.190 190 L CA 0.359 55.207 54.840 0.013 0.000 0.902 190 L CB -0.509 41.552 42.059 0.003 0.000 1.236 190 L HN 0.178 nan 8.230 nan 0.000 0.485 191 L N 3.942 125.175 121.223 0.016 0.000 2.774 191 L HA -0.018 4.322 4.340 -0.000 0.000 0.284 191 L C 1.138 178.012 176.870 0.007 0.000 1.149 191 L CA -0.132 54.717 54.840 0.016 0.000 1.069 191 L CB -1.013 41.054 42.059 0.013 0.000 1.407 191 L HN 0.616 nan 8.230 nan 0.000 0.460 192 S N 4.141 119.850 115.700 0.015 0.000 2.558 192 S HA 0.015 4.485 4.470 -0.000 0.000 0.291 192 S C -0.922 173.650 174.600 -0.046 0.000 1.306 192 S CA -0.806 57.389 58.200 -0.008 0.000 1.056 192 S CB 0.861 64.073 63.200 0.020 0.000 0.836 192 S HN 0.470 nan 8.310 nan 0.000 0.504 193 P HA -0.106 nan 4.420 nan 0.000 0.220 193 P C 0.042 177.272 177.300 -0.117 0.000 1.144 193 P CA 1.141 64.194 63.100 -0.079 0.000 0.800 193 P CB 0.117 31.769 31.700 -0.080 0.000 0.772 194 R N -1.406 118.971 120.500 -0.205 0.000 2.510 194 R HA 0.601 4.941 4.340 -0.000 0.000 0.294 194 R C -0.569 175.544 176.300 -0.311 0.000 1.056 194 R CA -0.588 55.347 56.100 -0.275 0.000 0.918 194 R CB 0.882 30.947 30.300 -0.392 0.000 1.187 194 R HN 0.021 nan 8.270 nan 0.000 0.437 195 G N 1.318 110.096 108.800 -0.037 0.000 2.778 195 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.686 195 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.686 195 G C 0.146 175.174 174.900 0.213 0.000 1.309 195 G CA -0.030 45.189 45.100 0.197 0.000 0.904 195 G HN 0.624 nan 8.290 nan 0.000 0.593 196 S N 0.035 115.829 115.700 0.156 0.000 2.496 196 S HA 0.022 4.492 4.470 -0.000 0.000 0.224 196 S C 1.451 176.105 174.600 0.091 0.000 0.996 196 S CA 1.412 59.671 58.200 0.099 0.000 0.927 196 S CB -0.115 63.117 63.200 0.054 0.000 0.774 196 S HN 0.813 nan 8.310 nan 0.000 0.524 197 D N 0.694 121.163 120.400 0.115 0.000 3.038 197 D HA 0.218 4.858 4.640 -0.000 0.000 0.243 197 D C -0.838 175.308 176.300 -0.258 0.000 1.245 197 D CA -0.106 53.843 54.000 -0.085 0.000 0.871 197 D CB -0.565 40.139 40.800 -0.161 0.000 1.089 197 D HN 0.311 nan 8.370 nan 0.000 0.464 198 Y N -0.444 119.827 120.300 -0.048 0.000 2.441 198 Y HA 0.321 4.871 4.550 -0.000 0.000 0.334 198 Y C -0.449 175.448 175.900 -0.004 0.000 1.061 198 Y CA -1.000 57.096 58.100 -0.006 0.000 1.032 198 Y CB 1.636 40.123 38.460 0.045 0.000 1.266 198 Y HN -0.077 nan 8.280 nan 0.000 0.441 199 L N 4.484 125.778 121.223 0.117 0.000 2.312 199 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 199 L C -0.297 176.624 176.870 0.084 0.000 1.070 199 L CA -0.564 54.318 54.840 0.070 0.000 0.805 199 L CB 1.482 43.554 42.059 0.022 0.000 1.174 199 L HN 0.631 nan 8.230 nan 0.000 0.434 200 M N 2.962 122.593 119.600 0.051 0.000 2.336 200 M HA 0.664 5.144 4.480 -0.000 0.000 0.342 200 M C -1.002 175.304 176.300 0.010 0.000 1.128 200 M CA -0.438 54.885 55.300 0.038 0.000 1.016 200 M CB 1.869 34.487 32.600 0.029 0.000 1.665 200 M HN 0.672 nan 8.290 nan 0.000 0.445 201 A N 5.522 128.348 122.820 0.010 0.000 2.393 201 A HA 0.811 5.131 4.320 -0.000 0.000 0.306 201 A C -1.800 175.794 177.584 0.015 0.000 1.050 201 A CA -0.710 51.324 52.037 -0.006 0.000 0.724 201 A CB 1.363 20.350 19.000 -0.021 0.000 1.248 201 A HN 0.875 nan 8.150 nan 0.000 0.424 202 L N 1.819 123.050 121.223 0.014 0.000 2.362 202 L HA 0.743 5.082 4.340 -0.000 0.000 0.275 202 L C 0.409 177.304 176.870 0.042 0.000 0.998 202 L CA -0.638 54.216 54.840 0.025 0.000 0.820 202 L CB 2.452 44.517 42.059 0.011 0.000 1.270 202 L HN 0.848 nan 8.230 nan 0.000 0.415 203 G N 0.677 109.511 108.800 0.058 0.000 2.626 203 G HA2 0.499 4.459 3.960 -0.000 0.000 0.304 203 G HA3 0.499 4.459 3.960 -0.000 0.000 0.304 203 G C -1.245 173.705 174.900 0.082 0.000 1.385 203 G CA -0.270 44.875 45.100 0.076 0.000 0.957 203 G HN 0.413 nan 8.290 nan 0.000 0.504 204 S N 1.123 116.884 115.700 0.103 0.000 2.501 204 S HA 0.717 5.187 4.470 -0.000 0.000 0.301 204 S C -0.533 174.223 174.600 0.259 0.000 1.096 204 S CA -0.635 57.679 58.200 0.191 0.000 1.063 204 S CB 1.811 65.192 63.200 0.302 0.000 1.042 204 S HN 0.736 nan 8.310 nan 0.000 0.494 205 Q N 2.487 122.406 119.800 0.197 0.000 2.345 205 Q HA 0.515 4.855 4.340 -0.000 0.000 0.275 205 Q C -1.405 174.599 176.000 0.007 0.000 1.063 205 Q CA -0.820 55.079 55.803 0.160 0.000 0.819 205 Q CB 1.553 30.354 28.738 0.105 0.000 1.356 205 Q HN 0.775 nan 8.270 nan 0.000 0.418 206 R N 2.210 122.676 120.500 -0.057 0.000 2.502 206 R HA 0.577 4.917 4.340 -0.000 0.000 0.300 206 R C -1.645 174.623 176.300 -0.054 0.000 0.984 206 R CA -0.191 55.824 56.100 -0.143 0.000 0.882 206 R CB 2.091 32.177 30.300 -0.357 0.000 1.180 206 R HN 0.613 nan 8.270 nan 0.000 0.444 207 T N 3.534 118.067 114.554 -0.035 0.000 2.863 207 T HA 0.444 4.794 4.350 -0.000 0.000 0.285 207 T C -0.684 174.006 174.700 -0.017 0.000 1.009 207 T CA -0.782 61.311 62.100 -0.012 0.000 0.989 207 T CB 1.423 70.293 68.868 0.003 0.000 1.004 207 T HN 0.331 nan 8.240 nan 0.000 0.455 208 R N 2.064 122.559 120.500 -0.009 0.000 2.247 208 R HA 0.568 4.907 4.340 -0.000 0.000 0.329 208 R C 0.194 176.491 176.300 -0.004 0.000 1.014 208 R CA -0.360 55.734 56.100 -0.009 0.000 0.907 208 R CB 0.878 31.174 30.300 -0.007 0.000 1.146 208 R HN 0.846 nan 8.270 nan 0.000 0.499 209 A N 4.505 127.322 122.820 -0.004 0.000 2.475 209 A HA 0.141 4.461 4.320 -0.000 0.000 0.239 209 A C -1.432 176.151 177.584 -0.001 0.000 1.087 209 A CA -0.673 51.363 52.037 -0.002 0.000 0.779 209 A CB 0.009 19.007 19.000 -0.002 0.000 1.036 209 A HN 0.437 nan 8.150 nan 0.000 0.506 210 P HA 0.026 nan 4.420 nan 0.000 0.245 210 P C -0.131 177.169 177.300 -0.001 0.000 1.212 210 P CA 1.294 64.394 63.100 0.000 0.000 0.774 210 P CB 0.023 31.724 31.700 0.001 0.000 0.999 211 D N -2.787 117.612 120.400 -0.001 0.000 2.395 211 D HA 0.211 4.851 4.640 -0.000 0.000 0.213 211 D C 1.484 177.782 176.300 -0.003 0.000 1.110 211 D CA 0.117 54.116 54.000 -0.002 0.000 0.835 211 D CB -0.425 40.374 40.800 -0.002 0.000 0.965 211 D HN 0.072 nan 8.370 nan 0.000 0.505 212 G N 0.502 109.300 108.800 -0.003 0.000 2.320 212 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.242 212 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.242 212 G C 0.593 175.489 174.900 -0.007 0.000 1.033 212 G CA 0.278 45.375 45.100 -0.005 0.000 0.620 212 G HN 0.893 nan 8.290 nan 0.000 0.517 213 S N 0.091 115.787 115.700 -0.007 0.000 2.568 213 S HA 0.469 4.938 4.470 -0.000 0.000 0.282 213 S C 0.361 174.954 174.600 -0.013 0.000 1.338 213 S CA 0.144 58.338 58.200 -0.010 0.000 1.045 213 S CB 1.802 64.998 63.200 -0.008 0.000 0.873 213 S HN 1.895 nan 8.310 nan 0.000 0.516 214 V N 1.220 121.124 119.914 -0.018 0.000 2.313 214 V HA 0.608 4.727 4.120 -0.000 0.000 0.278 214 V C 0.095 176.172 176.094 -0.028 0.000 1.017 214 V CA -1.040 61.244 62.300 -0.026 0.000 0.823 214 V CB 0.661 32.461 31.823 -0.037 0.000 1.010 214 V HN 0.858 nan 8.190 nan 0.000 0.443 215 V N 5.790 125.691 119.914 -0.022 0.000 2.470 215 V HA 0.501 4.621 4.120 -0.000 0.000 0.276 215 V C 0.431 176.508 176.094 -0.028 0.000 1.040 215 V CA 0.881 63.170 62.300 -0.019 0.000 1.008 215 V CB 1.191 33.009 31.823 -0.009 0.000 0.990 215 V HN 1.087 nan 8.190 nan 0.000 0.477 216 T N 6.898 121.435 114.554 -0.028 0.000 2.823 216 T HA 0.473 4.823 4.350 -0.000 0.000 0.279 216 T C -0.638 174.055 174.700 -0.012 0.000 0.998 216 T CA -0.270 61.809 62.100 -0.036 0.000 0.994 216 T CB 1.389 70.229 68.868 -0.047 0.000 0.960 216 T HN 0.831 nan 8.240 nan 0.000 0.448 217 Q N 2.016 121.817 119.800 0.001 0.000 2.340 217 Q HA 0.544 4.883 4.340 -0.000 0.000 0.268 217 Q C -0.723 175.298 176.000 0.035 0.000 1.031 217 Q CA -0.928 54.886 55.803 0.019 0.000 0.804 217 Q CB 1.597 30.353 28.738 0.030 0.000 1.286 217 Q HN 0.233 nan 8.270 nan 0.000 0.448 218 R N 2.932 123.449 120.500 0.029 0.000 2.514 218 R HA 0.569 4.909 4.340 -0.000 0.000 0.296 218 R C -1.029 175.287 176.300 0.028 0.000 1.012 218 R CA -0.475 55.646 56.100 0.036 0.000 0.897 218 R CB 1.484 31.800 30.300 0.027 0.000 1.184 218 R HN 0.780 nan 8.270 nan 0.000 0.440 219 I N -1.203 119.388 120.570 0.035 0.000 2.619 219 I HA 0.606 4.776 4.170 -0.000 0.000 0.292 219 I C -0.567 175.566 176.117 0.028 0.000 1.100 219 I CA -1.031 60.285 61.300 0.027 0.000 1.043 219 I CB 2.777 40.795 38.000 0.030 0.000 1.239 219 I HN 0.350 nan 8.210 nan 0.000 0.420 220 R N 6.097 126.608 120.500 0.018 0.000 2.711 220 R HA 0.827 5.167 4.340 -0.000 0.000 0.284 220 R C -1.797 174.514 176.300 0.018 0.000 0.968 220 R CA -0.800 55.310 56.100 0.017 0.000 0.924 220 R CB 2.230 32.534 30.300 0.007 0.000 1.162 220 R HN 0.923 nan 8.270 nan 0.000 0.465 221 M N 2.090 121.705 119.600 0.025 0.000 2.433 221 M HA 0.329 4.809 4.480 -0.000 0.000 0.290 221 M C -1.264 175.063 176.300 0.045 0.000 1.173 221 M CA -0.533 54.786 55.300 0.031 0.000 0.905 221 M CB 3.096 35.720 32.600 0.040 0.000 1.692 221 M HN 0.471 nan 8.290 nan 0.000 0.462 222 E N 3.133 123.369 120.200 0.061 0.000 2.129 222 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 222 E C -1.272 175.442 176.600 0.190 0.000 0.900 222 E CA -0.300 56.175 56.400 0.125 0.000 0.755 222 E CB 1.712 31.458 29.700 0.076 0.000 1.117 222 E HN 0.541 nan 8.360 nan 0.000 0.410 223 M N 1.482 121.198 119.600 0.193 0.000 2.537 223 M HA 0.289 4.769 4.480 -0.000 0.000 0.324 223 M C -0.039 176.365 176.300 0.173 0.000 1.187 223 M CA -0.677 54.716 55.300 0.156 0.000 0.993 223 M CB 1.623 34.273 32.600 0.083 0.000 1.666 223 M HN 0.432 nan 8.290 nan 0.000 0.461 224 H N 2.753 121.809 119.070 -0.023 0.000 2.800 224 H HA 0.159 4.714 4.556 -0.000 0.000 0.291 224 H C -0.558 174.696 175.328 -0.124 0.000 1.076 224 H CA -0.053 55.855 56.048 -0.233 0.000 1.452 224 H CB 0.830 30.498 29.762 -0.156 0.000 1.461 224 H HN 0.519 nan 8.280 nan 0.000 0.488 225 K N 4.315 124.479 120.400 -0.393 0.000 2.401 225 K HA 0.101 4.420 4.320 -0.000 0.000 0.278 225 K C -0.820 175.668 176.600 -0.187 0.000 1.018 225 K CA -0.385 55.773 56.287 -0.216 0.000 0.981 225 K CB 0.583 32.968 32.500 -0.190 0.000 0.933 225 K HN 0.285 nan 8.250 nan 0.000 0.477 226 V N 3.730 123.637 119.914 -0.012 0.000 2.481 226 V HA -0.006 4.114 4.120 -0.000 0.000 0.286 226 V C 0.446 176.574 176.094 0.057 0.000 1.042 226 V CA -0.518 61.823 62.300 0.068 0.000 0.928 226 V CB 1.501 33.480 31.823 0.259 0.000 0.986 226 V HN 0.837 nan 8.190 nan 0.000 0.462 227 D N 3.634 124.037 120.400 0.004 0.000 2.826 227 D HA 0.365 5.005 4.640 -0.000 0.000 0.229 227 D C 0.050 176.304 176.300 -0.077 0.000 1.091 227 D CA 0.553 54.531 54.000 -0.036 0.000 1.061 227 D CB -0.062 40.714 40.800 -0.041 0.000 1.155 227 D HN 0.736 nan 8.370 nan 0.000 0.450 228 A N -0.177 122.582 122.820 -0.101 0.000 2.586 228 A HA 0.459 4.778 4.320 -0.000 0.000 0.291 228 A C -1.391 175.979 177.584 -0.356 0.000 1.062 228 A CA -0.643 51.205 52.037 -0.315 0.000 0.666 228 A CB 1.298 19.942 19.000 -0.593 0.000 1.281 228 A HN -0.032 nan 8.150 nan 0.000 0.421 229 V N 1.762 121.420 119.914 -0.427 0.000 2.311 229 V HA 0.507 4.627 4.120 -0.000 0.000 0.275 229 V C -0.851 175.025 176.094 -0.363 0.000 1.022 229 V CA -0.047 62.099 62.300 -0.257 0.000 0.830 229 V CB -0.103 31.629 31.823 -0.151 0.000 1.012 229 V HN 0.614 nan 8.190 nan 0.000 0.452 230 F N 3.622 123.550 119.950 -0.037 0.000 2.410 230 F HA 0.759 5.286 4.527 -0.000 0.000 0.324 230 F C 0.281 176.036 175.800 -0.076 0.000 1.093 230 F CA -0.935 57.046 58.000 -0.031 0.000 1.028 230 F CB 1.336 40.327 39.000 -0.014 0.000 1.309 230 F HN 0.128 nan 8.300 nan 0.000 0.499 231 V N -0.152 119.817 119.914 0.092 0.000 2.733 231 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 231 V C 0.220 176.278 176.094 -0.060 0.000 1.084 231 V CA -0.211 62.002 62.300 -0.145 0.000 0.905 231 V CB 1.089 32.492 31.823 -0.699 0.000 1.010 231 V HN 0.993 nan 8.190 nan 0.000 0.424 232 G N 3.385 112.164 108.800 -0.035 0.000 2.253 232 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.209 232 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.209 232 G C 1.008 175.945 174.900 0.062 0.000 0.997 232 G CA 0.941 46.053 45.100 0.020 0.000 0.640 232 G HN 1.014 nan 8.290 nan 0.000 0.496 233 T N -0.262 114.328 114.554 0.059 0.000 2.635 233 T HA -0.001 4.348 4.350 -0.000 0.000 0.267 233 T C 2.639 177.385 174.700 0.076 0.000 1.040 233 T CA 2.474 64.599 62.100 0.041 0.000 1.156 233 T CB -1.222 67.645 68.868 -0.002 0.000 0.863 233 T HN 1.426 nan 8.240 nan 0.000 0.430 234 G N 2.190 111.027 108.800 0.061 0.000 2.553 234 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.218 234 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.218 234 G C 1.384 176.384 174.900 0.166 0.000 1.195 234 G CA 1.290 46.441 45.100 0.085 0.000 0.779 234 G HN 0.586 nan 8.290 nan 0.000 0.577 235 D N 0.195 120.671 120.400 0.126 0.000 2.123 235 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 235 D C 2.437 178.809 176.300 0.120 0.000 0.992 235 D CA 1.122 55.193 54.000 0.118 0.000 0.833 235 D CB -0.180 40.671 40.800 0.085 0.000 0.954 235 D HN 0.257 nan 8.370 nan 0.000 0.455 236 L N 0.587 121.887 121.223 0.128 0.000 2.017 236 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 236 L C 2.143 179.096 176.870 0.137 0.000 1.073 236 L CA 1.368 56.278 54.840 0.117 0.000 0.745 236 L CB -0.960 41.166 42.059 0.111 0.000 0.894 236 L HN -0.093 nan 8.230 nan 0.000 0.432 237 F N 0.583 120.545 119.950 0.020 0.000 2.027 237 F HA -0.315 4.212 4.527 -0.001 0.000 0.297 237 F C 2.408 178.216 175.800 0.013 0.000 1.129 237 F CA 2.276 60.292 58.000 0.026 0.000 1.195 237 F CB -1.044 37.971 39.000 0.025 0.000 0.960 237 F HN 0.187 nan 8.300 nan 0.000 0.485 238 A N 0.426 123.331 122.820 0.141 0.000 1.884 238 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 238 A C 2.433 179.929 177.584 -0.147 0.000 1.197 238 A CA 2.742 54.766 52.037 -0.022 0.000 0.637 238 A CB -1.780 17.274 19.000 0.090 0.000 0.827 238 A HN 0.659 nan 8.150 nan 0.000 0.450 239 A N -0.888 121.871 122.820 -0.102 0.000 1.883 239 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 239 A C 2.321 179.721 177.584 -0.307 0.000 1.186 239 A CA 2.085 54.010 52.037 -0.186 0.000 0.624 239 A CB -0.553 18.383 19.000 -0.107 0.000 0.822 239 A HN 0.565 nan 8.150 nan 0.000 0.444 240 M N -1.549 117.903 119.600 -0.247 0.000 2.156 240 M HA -0.070 4.409 4.480 -0.000 0.000 0.264 240 M C 2.230 178.310 176.300 -0.367 0.000 1.067 240 M CA 1.246 56.360 55.300 -0.310 0.000 1.131 240 M CB -0.429 32.117 32.600 -0.091 0.000 1.368 240 M HN 0.465 nan 8.290 nan 0.000 0.416 241 L N 1.136 122.138 121.223 -0.368 0.000 2.013 241 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 241 L C 2.232 178.952 176.870 -0.250 0.000 1.073 241 L CA 1.718 56.355 54.840 -0.339 0.000 0.753 241 L CB -0.807 40.933 42.059 -0.532 0.000 0.890 241 L HN 0.295 nan 8.230 nan 0.000 0.432 242 L N -1.032 119.999 121.223 -0.321 0.000 2.189 242 L HA -0.207 4.132 4.340 -0.000 0.000 0.214 242 L C 2.243 178.784 176.870 -0.547 0.000 1.097 242 L CA 1.583 56.192 54.840 -0.385 0.000 0.764 242 L CB -0.340 41.425 42.059 -0.490 0.000 0.900 242 L HN 0.387 nan 8.230 nan 0.000 0.436 243 A N -1.095 121.340 122.820 -0.641 0.000 1.943 243 A HA -0.113 4.207 4.320 -0.000 0.000 0.213 243 A C 1.759 179.120 177.584 -0.371 0.000 1.181 243 A CA 0.805 52.431 52.037 -0.685 0.000 0.653 243 A CB -0.809 17.672 19.000 -0.864 0.000 0.833 243 A HN 0.660 nan 8.150 nan 0.000 0.451 244 W N 0.582 121.871 121.300 -0.018 0.000 2.453 244 W HA -0.078 4.582 4.660 -0.000 0.000 0.289 244 W C 2.771 179.328 176.519 0.063 0.000 1.215 244 W CA 1.333 58.707 57.345 0.048 0.000 1.297 244 W CB -0.333 29.164 29.460 0.061 0.000 1.113 244 W HN 0.428 nan 8.180 nan 0.000 0.551 245 T N -2.711 111.995 114.554 0.254 0.000 2.881 245 T HA -0.322 4.028 4.350 -0.000 0.000 0.270 245 T C 1.449 176.266 174.700 0.196 0.000 1.068 245 T CA 1.771 63.995 62.100 0.206 0.000 1.131 245 T CB -0.754 68.203 68.868 0.149 0.000 0.871 245 T HN 0.305 nan 8.240 nan 0.000 0.479 246 H N 1.148 120.288 119.070 0.116 0.000 2.423 246 H HA 0.129 4.685 4.556 -0.000 0.000 0.297 246 H C 2.244 177.628 175.328 0.093 0.000 1.075 246 H CA 1.668 57.824 56.048 0.179 0.000 1.342 246 H CB -0.098 29.794 29.762 0.215 0.000 1.395 246 H HN 0.369 nan 8.280 nan 0.000 0.530 247 K N -0.313 120.109 120.400 0.037 0.000 2.098 247 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 247 K C -0.150 176.175 176.600 -0.458 0.000 1.051 247 K CA 0.936 57.083 56.287 -0.235 0.000 0.957 247 K CB 0.362 32.736 32.500 -0.210 0.000 0.738 247 K HN 0.411 nan 8.250 nan 0.000 0.447 248 H N 0.548 119.708 119.070 0.151 0.000 2.418 248 H HA 0.225 4.781 4.556 -0.000 0.000 0.238 248 H C -2.126 173.253 175.328 0.084 0.000 1.403 248 H CA -2.106 53.999 56.048 0.096 0.000 1.419 248 H CB 1.171 30.989 29.762 0.093 0.000 1.463 248 H HN 0.194 nan 8.280 nan 0.000 0.515 249 P HA -0.114 nan 4.420 nan 0.000 0.222 249 P C 0.383 177.741 177.300 0.097 0.000 1.147 249 P CA 0.916 64.075 63.100 0.097 0.000 0.790 249 P CB 0.641 32.371 31.700 0.051 0.000 0.780 250 N N -0.056 118.705 118.700 0.101 0.000 2.541 250 N HA 0.086 4.826 4.740 -0.000 0.000 0.297 250 N C -0.078 175.477 175.510 0.075 0.000 1.503 250 N CA -0.037 53.058 53.050 0.075 0.000 0.919 250 N CB 0.025 38.544 38.487 0.054 0.000 1.305 250 N HN 0.027 nan 8.380 nan 0.000 0.501 251 N N 1.242 120.002 118.700 0.100 0.000 2.636 251 N HA 0.083 4.823 4.740 -0.000 0.000 0.287 251 N C 0.970 176.517 175.510 0.062 0.000 1.817 251 N CA -0.227 52.857 53.050 0.058 0.000 0.842 251 N CB 0.489 38.991 38.487 0.024 0.000 1.353 251 N HN 0.069 nan 8.380 nan 0.000 0.500 252 L N 1.294 122.558 121.223 0.069 0.000 2.103 252 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 252 L C 2.257 179.155 176.870 0.048 0.000 1.080 252 L CA 2.040 56.924 54.840 0.073 0.000 0.764 252 L CB -0.214 41.889 42.059 0.073 0.000 0.890 252 L HN 0.318 nan 8.230 nan 0.000 0.435 253 K N -1.137 119.274 120.400 0.019 0.000 1.991 253 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 253 K C 1.894 178.473 176.600 -0.035 0.000 1.049 253 K CA 2.335 58.619 56.287 -0.005 0.000 0.932 253 K CB -0.341 32.145 32.500 -0.023 0.000 0.717 253 K HN 0.253 nan 8.250 nan 0.000 0.441 254 V N 1.507 121.373 119.914 -0.079 0.000 2.255 254 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 254 V C 2.549 178.579 176.094 -0.108 0.000 1.051 254 V CA 2.116 64.318 62.300 -0.164 0.000 1.018 254 V CB -0.968 30.646 31.823 -0.349 0.000 0.641 254 V HN 0.589 nan 8.190 nan 0.000 0.445 255 A N -0.963 121.876 122.820 0.032 0.000 1.892 255 A HA -0.313 4.006 4.320 -0.000 0.000 0.218 255 A C 2.362 179.989 177.584 0.072 0.000 1.188 255 A CA 2.530 54.666 52.037 0.165 0.000 0.631 255 A CB -1.281 17.862 19.000 0.239 0.000 0.822 255 A HN 0.612 nan 8.150 nan 0.000 0.447 256 C N -0.808 118.523 119.300 0.052 0.000 2.429 256 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 256 C C 2.666 177.677 174.990 0.034 0.000 1.262 256 C CA 1.069 60.128 59.018 0.068 0.000 1.733 256 C CB -1.329 26.468 27.740 0.096 0.000 2.010 256 C HN 0.675 nan 8.230 nan 0.000 0.483 257 E N 0.937 121.118 120.200 -0.032 0.000 2.023 257 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 257 E C 2.174 178.696 176.600 -0.129 0.000 1.003 257 E CA 1.238 57.594 56.400 -0.072 0.000 0.809 257 E CB -0.212 29.426 29.700 -0.103 0.000 0.755 257 E HN 0.624 nan 8.360 nan 0.000 0.449 258 K N 0.375 120.618 120.400 -0.262 0.000 1.987 258 K HA -0.167 4.153 4.320 -0.000 0.000 0.216 258 K C 2.408 178.905 176.600 -0.172 0.000 1.051 258 K CA 1.991 58.025 56.287 -0.422 0.000 0.942 258 K CB -0.546 31.272 32.500 -1.136 0.000 0.722 258 K HN 0.066 nan 8.250 nan 0.000 0.444 259 T N 1.411 115.952 114.554 -0.021 0.000 2.536 259 T HA -0.197 4.153 4.350 -0.000 0.000 0.263 259 T C 2.030 176.827 174.700 0.162 0.000 1.115 259 T CA 2.167 64.373 62.100 0.177 0.000 1.180 259 T CB -0.525 68.378 68.868 0.059 0.000 0.864 259 T HN -0.007 nan 8.240 nan 0.000 0.419 260 V N 1.385 121.407 119.914 0.180 0.000 2.469 260 V HA -0.196 3.924 4.120 -0.000 0.000 0.251 260 V C 2.656 178.775 176.094 0.041 0.000 1.064 260 V CA 1.923 64.327 62.300 0.174 0.000 1.066 260 V CB -0.962 30.953 31.823 0.152 0.000 0.667 260 V HN 0.436 nan 8.190 nan 0.000 0.461 261 S N 0.446 116.116 115.700 -0.050 0.000 2.343 261 S HA -0.175 4.295 4.470 -0.000 0.000 0.219 261 S C 2.337 176.775 174.600 -0.269 0.000 1.033 261 S CA 1.468 59.543 58.200 -0.208 0.000 1.014 261 S CB -0.667 62.398 63.200 -0.224 0.000 0.915 261 S HN 0.668 nan 8.310 nan 0.000 0.435 262 A N 1.572 124.347 122.820 -0.074 0.000 1.903 262 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 262 A C 2.131 179.750 177.584 0.058 0.000 1.191 262 A CA 2.200 54.275 52.037 0.063 0.000 0.638 262 A CB -0.789 18.320 19.000 0.182 0.000 0.823 262 A HN 0.388 nan 8.150 nan 0.000 0.451 263 M N -0.898 118.745 119.600 0.073 0.000 2.110 263 M HA -0.200 4.280 4.480 -0.000 0.000 0.257 263 M C 2.078 178.383 176.300 0.008 0.000 1.071 263 M CA 2.267 57.604 55.300 0.061 0.000 1.096 263 M CB -1.017 31.651 32.600 0.113 0.000 1.300 263 M HN 0.701 nan 8.290 nan 0.000 0.411 264 H N -1.098 117.912 119.070 -0.100 0.000 2.289 264 H HA -0.206 4.350 4.556 -0.000 0.000 0.296 264 H C 2.028 177.357 175.328 0.002 0.000 1.091 264 H CA 2.618 58.612 56.048 -0.090 0.000 1.274 264 H CB -0.426 29.255 29.762 -0.136 0.000 1.364 264 H HN 0.609 nan 8.280 nan 0.000 0.490 265 H N -0.456 118.640 119.070 0.044 0.000 2.280 265 H HA -0.157 4.399 4.556 -0.000 0.000 0.294 265 H C 2.725 177.998 175.328 -0.093 0.000 1.064 265 H CA 1.408 57.443 56.048 -0.021 0.000 1.208 265 H CB -0.166 29.636 29.762 0.066 0.000 1.365 265 H HN 0.085 nan 8.280 nan 0.000 0.511 266 V N 1.137 121.114 119.914 0.105 0.000 2.236 266 V HA -0.354 3.766 4.120 -0.000 0.000 0.255 266 V C 2.615 178.653 176.094 -0.093 0.000 1.068 266 V CA 2.212 64.513 62.300 0.001 0.000 1.044 266 V CB -0.790 31.027 31.823 -0.010 0.000 0.653 266 V HN 0.317 nan 8.190 nan 0.000 0.448 267 L N -0.824 120.286 121.223 -0.188 0.000 2.012 267 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 267 L C 2.819 179.551 176.870 -0.228 0.000 1.073 267 L CA 1.614 56.245 54.840 -0.349 0.000 0.748 267 L CB -0.674 41.086 42.059 -0.499 0.000 0.891 267 L HN 0.382 nan 8.230 nan 0.000 0.431 268 Q N -0.293 119.357 119.800 -0.250 0.000 2.077 268 Q HA -0.280 4.059 4.340 -0.000 0.000 0.206 268 Q C 2.252 178.210 176.000 -0.070 0.000 0.989 268 Q CA 1.726 57.417 55.803 -0.188 0.000 0.853 268 Q CB -0.427 28.135 28.738 -0.293 0.000 0.907 268 Q HN 0.450 nan 8.270 nan 0.000 0.418 269 R N 0.013 120.480 120.500 -0.056 0.000 2.083 269 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 269 R C 2.167 178.471 176.300 0.007 0.000 1.137 269 R CA 1.946 58.034 56.100 -0.020 0.000 0.951 269 R CB -0.136 30.153 30.300 -0.018 0.000 0.851 269 R HN 0.222 nan 8.270 nan 0.000 0.434 270 T N 1.348 115.910 114.554 0.014 0.000 2.643 270 T HA -0.173 4.177 4.350 -0.000 0.000 0.264 270 T C 1.727 176.512 174.700 0.143 0.000 1.045 270 T CA 1.438 63.590 62.100 0.087 0.000 1.155 270 T CB -0.320 68.622 68.868 0.123 0.000 0.863 270 T HN 0.217 nan 8.240 nan 0.000 0.420 271 I N 1.339 122.022 120.570 0.189 0.000 2.335 271 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 271 I C 2.220 178.385 176.117 0.080 0.000 1.129 271 I CA 1.425 62.832 61.300 0.177 0.000 1.402 271 I CB -0.352 37.769 38.000 0.201 0.000 1.069 271 I HN 0.127 nan 8.210 nan 0.000 0.424 272 K N -0.391 120.041 120.400 0.053 0.000 1.973 272 K HA -0.259 4.061 4.320 -0.000 0.000 0.212 272 K C 2.460 179.077 176.600 0.029 0.000 1.047 272 K CA 2.137 58.442 56.287 0.031 0.000 0.937 272 K CB -0.879 31.631 32.500 0.018 0.000 0.721 272 K HN 0.535 nan 8.250 nan 0.000 0.440 273 C N 0.767 120.085 119.300 0.031 0.000 2.393 273 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 273 C C 2.810 177.817 174.990 0.029 0.000 1.215 273 C CA 1.460 60.494 59.018 0.027 0.000 1.743 273 C CB -1.273 26.485 27.740 0.030 0.000 2.044 273 C HN 0.651 nan 8.230 nan 0.000 0.464 274 A N 0.370 123.214 122.820 0.041 0.000 1.881 274 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 274 A C 2.232 179.820 177.584 0.007 0.000 1.215 274 A CA 2.369 54.422 52.037 0.026 0.000 0.648 274 A CB -0.872 18.148 19.000 0.034 0.000 0.832 274 A HN 0.781 nan 8.150 nan 0.000 0.455 275 K N -0.666 119.740 120.400 0.009 0.000 2.281 275 K HA -0.075 4.244 4.320 -0.000 0.000 0.203 275 K C 2.215 178.816 176.600 0.002 0.000 1.046 275 K CA 0.909 57.196 56.287 -0.000 0.000 0.938 275 K CB -0.299 32.204 32.500 0.004 0.000 0.737 275 K HN 0.518 nan 8.250 nan 0.000 0.458 276 A N 1.808 124.633 122.820 0.008 0.000 1.873 276 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 276 A C 1.779 179.365 177.584 0.005 0.000 1.186 276 A CA 1.328 53.369 52.037 0.007 0.000 0.616 276 A CB -0.165 18.841 19.000 0.010 0.000 0.823 276 A HN 0.189 nan 8.150 nan 0.000 0.442 277 K N 0.454 120.857 120.400 0.006 0.000 2.365 277 K HA -0.053 4.267 4.320 -0.000 0.000 0.199 277 K C 2.066 178.664 176.600 -0.003 0.000 1.045 277 K CA 1.312 57.601 56.287 0.004 0.000 0.962 277 K CB -0.053 32.452 32.500 0.008 0.000 0.759 277 K HN 0.652 nan 8.250 nan 0.000 0.469 278 S N -0.310 115.385 115.700 -0.007 0.000 2.456 278 S HA 0.195 4.664 4.470 -0.000 0.000 0.224 278 S C 0.960 175.554 174.600 -0.011 0.000 1.035 278 S CA 0.108 58.300 58.200 -0.014 0.000 0.940 278 S CB 0.171 63.356 63.200 -0.025 0.000 0.799 278 S HN 0.364 nan 8.310 nan 0.000 0.508 279 G N 1.608 110.403 108.800 -0.008 0.000 2.699 279 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.686 279 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.686 279 G C -0.970 173.925 174.900 -0.008 0.000 1.301 279 G CA -0.624 44.472 45.100 -0.006 0.000 0.816 279 G HN 0.613 nan 8.290 nan 0.000 0.595 280 E N 0.083 120.280 120.200 -0.005 0.000 2.413 280 E HA 0.416 4.765 4.350 -0.000 0.000 0.263 280 E C 1.335 177.930 176.600 -0.008 0.000 1.015 280 E CA 0.186 56.583 56.400 -0.006 0.000 0.916 280 E CB 0.412 30.110 29.700 -0.003 0.000 0.947 280 E HN 2.357 nan 8.360 nan 0.000 0.440 281 G N 1.188 109.982 108.800 -0.010 0.000 2.305 281 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.287 281 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.287 281 G C -0.199 174.691 174.900 -0.016 0.000 1.036 281 G CA 0.386 45.479 45.100 -0.012 0.000 0.887 281 G HN 0.379 nan 8.290 nan 0.000 0.505 282 V N -0.426 119.477 119.914 -0.019 0.000 2.777 282 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 282 V C -0.143 175.932 176.094 -0.033 0.000 1.112 282 V CA -1.631 60.655 62.300 -0.024 0.000 0.917 282 V CB 2.103 33.914 31.823 -0.020 0.000 1.018 282 V HN 0.169 nan 8.190 nan 0.000 0.426 283 K N 3.853 124.228 120.400 -0.042 0.000 2.258 283 K HA 0.450 4.769 4.320 -0.000 0.000 0.284 283 K C -2.541 174.018 176.600 -0.069 0.000 1.051 283 K CA -1.963 54.289 56.287 -0.058 0.000 0.923 283 K CB 1.538 33.998 32.500 -0.067 0.000 1.046 283 K HN 0.367 nan 8.250 nan 0.000 0.474 284 P HA -0.053 nan 4.420 nan 0.000 0.264 284 P C -0.249 176.982 177.300 -0.114 0.000 1.183 284 P CA 0.241 63.289 63.100 -0.086 0.000 0.763 284 P CB 0.520 32.164 31.700 -0.095 0.000 0.807 285 S N 4.404 120.041 115.700 -0.106 0.000 2.652 285 S HA 0.356 4.826 4.470 -0.000 0.000 0.270 285 S C -1.473 173.004 174.600 -0.206 0.000 1.243 285 S CA -1.165 56.950 58.200 -0.143 0.000 0.999 285 S CB 0.588 63.719 63.200 -0.115 0.000 0.973 285 S HN 0.281 nan 8.310 nan 0.000 0.544 286 P HA -0.167 nan 4.420 nan 0.000 0.216 286 P C 1.412 178.413 177.300 -0.498 0.000 1.150 286 P CA 1.990 64.818 63.100 -0.453 0.000 0.843 286 P CB -0.348 30.930 31.700 -0.704 0.000 0.787 287 A N 0.379 122.924 122.820 -0.459 0.000 1.930 287 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 287 A C 2.221 179.816 177.584 0.019 0.000 1.175 287 A CA 1.317 53.325 52.037 -0.049 0.000 0.627 287 A CB -1.252 17.831 19.000 0.138 0.000 0.815 287 A HN 0.258 nan 8.150 nan 0.000 0.443 288 Q N -0.644 119.136 119.800 -0.034 0.000 2.472 288 Q HA 0.176 4.516 4.340 -0.000 0.000 0.208 288 Q C 1.061 177.068 176.000 0.010 0.000 0.958 288 Q CA 0.397 56.198 55.803 -0.002 0.000 0.932 288 Q CB -0.070 28.654 28.738 -0.023 0.000 1.007 288 Q HN 0.615 nan 8.270 nan 0.000 0.508 289 L N 0.484 121.701 121.223 -0.010 0.000 2.640 289 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 289 L C 0.339 177.312 176.870 0.173 0.000 1.123 289 L CA -0.246 54.610 54.840 0.026 0.000 0.900 289 L CB 0.341 42.313 42.059 -0.146 0.000 1.146 289 L HN 0.085 nan 8.230 nan 0.000 0.484 290 E N 1.771 122.076 120.200 0.176 0.000 2.502 290 E HA 0.041 4.391 4.350 -0.000 0.000 0.261 290 E C -0.001 176.749 176.600 0.249 0.000 0.974 290 E CA 0.272 56.822 56.400 0.250 0.000 0.936 290 E CB 0.838 30.682 29.700 0.240 0.000 0.926 290 E HN 0.222 nan 8.360 nan 0.000 0.459 291 L N 3.281 124.663 121.223 0.265 0.000 2.485 291 L HA 0.035 4.375 4.340 -0.000 0.000 0.275 291 L C 1.256 178.144 176.870 0.031 0.000 1.207 291 L CA 0.358 55.281 54.840 0.138 0.000 0.855 291 L CB 0.125 42.236 42.059 0.087 0.000 1.114 291 L HN 0.179 nan 8.230 nan 0.000 0.485 292 R N 2.820 123.296 120.500 -0.041 0.000 3.235 292 R HA 0.098 4.438 4.340 -0.000 0.000 0.232 292 R C 0.549 176.711 176.300 -0.230 0.000 1.475 292 R CA -0.440 55.595 56.100 -0.108 0.000 1.405 292 R CB 0.513 30.789 30.300 -0.040 0.000 1.266 292 R HN 0.649 nan 8.270 nan 0.000 0.650 293 M N 1.706 120.994 119.600 -0.519 0.000 2.315 293 M HA -0.198 4.282 4.480 -0.000 0.000 0.264 293 M C 1.875 177.920 176.300 -0.425 0.000 1.075 293 M CA 2.025 56.971 55.300 -0.590 0.000 1.093 293 M CB -0.433 31.418 32.600 -1.248 0.000 1.251 293 M HN 0.237 nan 8.290 nan 0.000 0.449 294 V N 0.419 119.964 119.914 -0.615 0.000 2.252 294 V HA -0.395 3.725 4.120 -0.000 0.000 0.255 294 V C 2.269 178.290 176.094 -0.122 0.000 1.071 294 V CA 2.505 64.555 62.300 -0.417 0.000 1.050 294 V CB -1.715 29.922 31.823 -0.311 0.000 0.654 294 V HN 0.599 nan 8.190 nan 0.000 0.448 295 Q N 0.460 120.193 119.800 -0.112 0.000 2.297 295 Q HA -0.096 4.243 4.340 -0.000 0.000 0.208 295 Q C 2.068 178.063 176.000 -0.007 0.000 0.981 295 Q CA 1.641 57.419 55.803 -0.042 0.000 0.876 295 Q CB -0.409 28.303 28.738 -0.043 0.000 0.921 295 Q HN 0.706 nan 8.270 nan 0.000 0.446 296 S N -0.359 115.339 115.700 -0.004 0.000 2.572 296 S HA 0.120 4.589 4.470 -0.000 0.000 0.228 296 S C 1.151 175.820 174.600 0.114 0.000 0.963 296 S CA -0.373 57.853 58.200 0.045 0.000 0.939 296 S CB 0.236 63.455 63.200 0.032 0.000 0.804 296 S HN 0.275 nan 8.310 nan 0.000 0.480 297 K N 2.480 122.979 120.400 0.165 0.000 2.015 297 K HA -0.235 4.084 4.320 -0.000 0.000 0.220 297 K C 1.656 178.336 176.600 0.134 0.000 1.055 297 K CA 1.453 57.888 56.287 0.246 0.000 0.951 297 K CB -0.054 32.608 32.500 0.270 0.000 0.725 297 K HN 0.041 nan 8.250 nan 0.000 0.449 298 K N 0.824 121.282 120.400 0.097 0.000 2.063 298 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 298 K C 1.814 178.470 176.600 0.094 0.000 1.048 298 K CA 1.614 57.947 56.287 0.076 0.000 0.928 298 K CB -0.525 32.005 32.500 0.050 0.000 0.713 298 K HN 0.342 nan 8.250 nan 0.000 0.442 299 D N 0.723 121.181 120.400 0.098 0.000 2.178 299 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 299 D C 1.992 178.415 176.300 0.205 0.000 0.980 299 D CA 0.650 54.738 54.000 0.146 0.000 0.842 299 D CB -0.123 40.764 40.800 0.144 0.000 0.948 299 D HN 0.197 nan 8.370 nan 0.000 0.472 300 I N 0.929 121.606 120.570 0.178 0.000 2.252 300 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 300 I C 2.142 178.394 176.117 0.225 0.000 1.102 300 I CA 0.972 62.387 61.300 0.193 0.000 1.385 300 I CB -0.156 37.931 38.000 0.145 0.000 1.064 300 I HN -0.008 nan 8.210 nan 0.000 0.414 301 E N 0.052 120.351 120.200 0.164 0.000 2.110 301 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 301 E C 0.442 177.203 176.600 0.269 0.000 0.988 301 E CA 0.925 57.425 56.400 0.166 0.000 0.804 301 E CB 0.062 29.817 29.700 0.092 0.000 0.745 301 E HN 0.189 nan 8.360 nan 0.000 0.458 302 S N 1.071 116.902 115.700 0.217 0.000 2.356 302 S HA 0.171 4.640 4.470 -0.000 0.000 0.171 302 S C -2.637 172.049 174.600 0.143 0.000 1.399 302 S CA -0.953 57.351 58.200 0.173 0.000 1.225 302 S CB 1.434 64.702 63.200 0.114 0.000 1.271 302 S HN 0.058 nan 8.310 nan 0.000 0.427 303 P HA 0.273 nan 4.420 nan 0.000 0.282 303 P C -0.254 177.128 177.300 0.137 0.000 1.262 303 P CA -0.249 62.971 63.100 0.200 0.000 0.773 303 P CB 0.766 32.554 31.700 0.147 0.000 0.879 304 E N 3.088 123.467 120.200 0.297 0.000 2.415 304 E HA 0.103 4.452 4.350 -0.000 0.000 0.262 304 E C -0.501 176.152 176.600 0.088 0.000 1.038 304 E CA -0.162 56.342 56.400 0.174 0.000 0.921 304 E CB -0.051 29.765 29.700 0.192 0.000 0.950 304 E HN 0.237 nan 8.360 nan 0.000 0.438 305 I N 5.318 125.883 120.570 -0.009 0.000 2.421 305 I HA 0.007 4.177 4.170 -0.000 0.000 0.291 305 I C 0.862 176.940 176.117 -0.066 0.000 1.089 305 I CA 0.188 61.446 61.300 -0.071 0.000 1.354 305 I CB 0.726 38.674 38.000 -0.087 0.000 1.413 305 I HN 0.496 nan 8.210 nan 0.000 0.513 306 V N 4.988 124.827 119.914 -0.124 0.000 3.528 306 V HA 0.362 4.482 4.120 -0.000 0.000 0.294 306 V C 0.173 176.158 176.094 -0.180 0.000 1.404 306 V CA -0.133 62.072 62.300 -0.158 0.000 1.065 306 V CB 0.025 31.699 31.823 -0.248 0.000 0.904 306 V HN 0.420 nan 8.190 nan 0.000 0.435 307 V N -2.248 117.586 119.914 -0.134 0.000 2.623 307 V HA 0.629 4.749 4.120 -0.000 0.000 0.304 307 V C -1.003 175.054 176.094 -0.061 0.000 1.054 307 V CA -0.523 61.725 62.300 -0.086 0.000 0.882 307 V CB 1.917 33.703 31.823 -0.062 0.000 1.002 307 V HN 0.255 nan 8.190 nan 0.000 0.424 308 Q N 2.970 122.743 119.800 -0.044 0.000 2.347 308 Q HA 0.664 5.003 4.340 -0.000 0.000 0.262 308 Q C 0.100 176.084 176.000 -0.025 0.000 0.980 308 Q CA -0.295 55.484 55.803 -0.040 0.000 0.867 308 Q CB 1.949 30.663 28.738 -0.039 0.000 1.242 308 Q HN 1.153 nan 8.270 nan 0.000 0.453 309 A N 2.707 125.513 122.820 -0.023 0.000 2.440 309 A HA 0.362 4.682 4.320 -0.000 0.000 0.251 309 A C 0.259 177.836 177.584 -0.013 0.000 1.089 309 A CA -0.216 51.816 52.037 -0.010 0.000 0.779 309 A CB 0.194 19.192 19.000 -0.003 0.000 1.022 309 A HN 0.676 nan 8.150 nan 0.000 0.492 310 T N -0.000 114.549 114.554 -0.007 0.000 2.799 310 T HA 0.479 4.829 4.350 -0.000 0.000 0.286 310 T C -0.233 174.464 174.700 -0.005 0.000 0.973 310 T CA -0.661 61.432 62.100 -0.010 0.000 1.035 310 T CB 1.103 69.963 68.868 -0.013 0.000 0.932 310 T HN 0.436 nan 8.240 nan 0.000 0.469 311 V N 5.600 125.510 119.914 -0.007 0.000 2.222 311 V HA 0.176 4.296 4.120 -0.000 0.000 0.253 311 V C 0.963 177.055 176.094 -0.003 0.000 1.210 311 V CA -0.612 61.687 62.300 -0.003 0.000 1.079 311 V CB -1.291 30.528 31.823 -0.006 0.000 1.265 311 V HN 0.810 nan 8.190 nan 0.000 0.494 312 L N 0.000 121.223 121.223 0.001 0.000 2.949 312 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 312 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 312 L CB 0.000 42.061 42.059 0.003 0.000 0.961 312 L HN 0.000 nan 8.230 nan 0.000 0.502