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 1vrx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGGGYWHTSG REILDANNVP VRIAGINWFG FETcNYVVHG LWSRDYRSML DATA SEQUENCE DQIKSLGYNT IRLPYSDDIL KPGTMPNSIN FYQMNQDLQG LTSLQVMDKI DATA SEQUENCE VAYAGQIGLR IILDRHRPDc SGQSALWYTS SVSEATWISD LQALAQRYKG DATA SEQUENCE NPTVVGFDLH NEPHDPACWG CGDPSIDWRL AAERAGNAVL SVNPNLLIFV DATA SEQUENCE EGVQSYNGDS YWWGGNLQGA GQYPVVLNVP NRLVYSAHDY ATSVGPQTWF DATA SEQUENCE SDPTFPNNMP GIWNKNWGYL FNQNIAPVWL GEFGTTLQST TDQTWLKTLV DATA SEQUENCE QYLRPTAQYG ADSFQWTFWS WNPDSGDTGG ILKDDWQTVD TDKDGYLAPI DATA SEQUENCE KSSIFDPV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.714 177.584 0.216 0.000 1.274 1 A CA 0.000 52.094 52.037 0.095 0.000 0.836 1 A CB 0.000 19.025 19.000 0.041 0.000 0.831 2 G N -1.354 107.520 108.800 0.122 0.000 2.211 2 G HA2 0.284 4.244 3.960 -0.000 0.000 0.201 2 G HA3 0.284 4.244 3.960 -0.000 0.000 0.201 2 G C 1.307 176.399 174.900 0.320 0.000 0.997 2 G CA 0.614 45.816 45.100 0.170 0.000 0.652 2 G HN 2.350 nan 8.290 nan 0.000 0.500 3 G N 0.461 109.359 108.800 0.164 0.000 2.391 3 G HA2 0.587 4.547 3.960 -0.000 0.000 0.234 3 G HA3 0.587 4.547 3.960 -0.000 0.000 0.234 3 G C 1.304 176.282 174.900 0.130 0.000 1.284 3 G CA 1.628 46.794 45.100 0.109 0.000 0.873 3 G HN 1.966 nan 8.290 nan 0.000 0.549 4 G N 0.726 109.533 108.800 0.013 0.000 2.806 4 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.236 4 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.236 4 G C 0.057 174.896 174.900 -0.103 0.000 1.387 4 G CA 0.009 45.085 45.100 -0.040 0.000 0.884 4 G HN 0.840 nan 8.290 nan 0.000 0.560 5 Y N -1.171 119.144 120.300 0.026 0.000 2.394 5 Y HA 0.451 5.001 4.550 -0.000 0.000 0.351 5 Y C 1.068 177.116 175.900 0.246 0.000 1.272 5 Y CA 0.686 58.774 58.100 -0.020 0.000 1.508 5 Y CB 0.417 38.877 38.460 -0.001 0.000 1.369 5 Y HN 0.611 nan 8.280 nan 0.000 0.639 6 W N 0.906 122.295 121.300 0.148 0.000 2.804 6 W HA 0.402 5.062 4.660 -0.000 0.000 0.352 6 W C -0.165 176.401 176.519 0.078 0.000 1.153 6 W CA -0.940 56.418 57.345 0.021 0.000 1.119 6 W CB 0.540 29.952 29.460 -0.080 0.000 1.448 6 W HN 0.580 nan 8.180 nan 0.000 0.600 7 H N -2.087 117.111 119.070 0.213 0.000 2.933 7 H HA 0.578 5.134 4.556 -0.000 0.000 0.310 7 H C -0.996 174.361 175.328 0.049 0.000 1.351 7 H CA -0.792 55.315 56.048 0.099 0.000 1.137 7 H CB 1.209 31.010 29.762 0.065 0.000 1.853 7 H HN 0.214 nan 8.280 nan 0.000 0.539 8 T N -0.851 113.824 114.554 0.201 0.000 2.945 8 T HA 0.613 4.963 4.350 -0.000 0.000 0.286 8 T C -0.334 174.482 174.700 0.193 0.000 1.025 8 T CA -0.996 61.163 62.100 0.099 0.000 1.039 8 T CB 1.567 70.473 68.868 0.064 0.000 1.068 8 T HN 0.507 nan 8.240 nan 0.000 0.497 9 S N 0.933 116.685 115.700 0.087 0.000 2.775 9 S HA 0.650 5.120 4.470 -0.000 0.000 0.277 9 S C 0.856 175.474 174.600 0.031 0.000 1.156 9 S CA -0.133 58.111 58.200 0.075 0.000 1.081 9 S CB 0.691 63.936 63.200 0.074 0.000 1.054 9 S HN 1.501 nan 8.310 nan 0.000 0.482 10 G N 4.143 112.961 108.800 0.029 0.000 2.629 10 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.313 10 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.313 10 G C 0.449 175.359 174.900 0.016 0.000 1.217 10 G CA 0.791 45.895 45.100 0.006 0.000 0.994 10 G HN 0.851 nan 8.290 nan 0.000 0.549 11 R N 1.063 121.547 120.500 -0.027 0.000 2.480 11 R HA 0.477 4.817 4.340 -0.000 0.000 0.277 11 R C 0.234 176.591 176.300 0.095 0.000 1.008 11 R CA 0.312 56.426 56.100 0.024 0.000 1.090 11 R CB 0.204 30.390 30.300 -0.190 0.000 1.234 11 R HN 0.555 nan 8.270 nan 0.000 0.549 12 E N 1.118 121.344 120.200 0.045 0.000 2.277 12 E HA 0.416 4.766 4.350 -0.000 0.000 0.266 12 E C -0.787 175.805 176.600 -0.012 0.000 0.901 12 E CA -1.036 55.383 56.400 0.032 0.000 0.782 12 E CB 2.500 32.197 29.700 -0.005 0.000 1.228 12 E HN 0.083 nan 8.360 nan 0.000 0.424 13 I N 2.209 122.745 120.570 -0.055 0.000 2.392 13 I HA 0.272 4.442 4.170 -0.000 0.000 0.295 13 I C -0.867 175.065 176.117 -0.308 0.000 0.985 13 I CA -0.711 60.501 61.300 -0.146 0.000 1.221 13 I CB 0.815 38.757 38.000 -0.097 0.000 1.366 13 I HN 0.152 nan 8.210 nan 0.000 0.467 14 L N 5.118 126.070 121.223 -0.452 0.000 2.362 14 L HA 0.388 4.728 4.340 -0.000 0.000 0.271 14 L C -0.270 176.239 176.870 -0.602 0.000 1.002 14 L CA -0.462 54.047 54.840 -0.552 0.000 0.818 14 L CB 1.641 43.293 42.059 -0.678 0.000 1.298 14 L HN 0.616 nan 8.230 nan 0.000 0.420 15 D N 1.486 121.603 120.400 -0.471 0.000 2.425 15 D HA 0.309 4.949 4.640 -0.000 0.000 0.274 15 D C 0.961 177.277 176.300 0.027 0.000 1.242 15 D CA 0.057 53.908 54.000 -0.248 0.000 1.060 15 D CB 0.474 41.167 40.800 -0.178 0.000 1.112 15 D HN 0.509 nan 8.370 nan 0.000 0.561 16 A N -0.977 121.940 122.820 0.162 0.000 2.209 16 A HA -0.075 4.245 4.320 -0.000 0.000 0.212 16 A C 0.985 178.650 177.584 0.134 0.000 1.158 16 A CA 0.674 52.828 52.037 0.194 0.000 0.742 16 A CB -1.024 18.079 19.000 0.172 0.000 0.790 16 A HN 0.603 nan 8.150 nan 0.000 0.472 17 N N 0.398 119.147 118.700 0.082 0.000 2.275 17 N HA 0.084 4.824 4.740 -0.000 0.000 0.236 17 N C -0.416 175.121 175.510 0.046 0.000 1.154 17 N CA -0.237 52.848 53.050 0.058 0.000 0.866 17 N CB 0.208 38.716 38.487 0.035 0.000 1.093 17 N HN 0.276 nan 8.380 nan 0.000 0.515 18 N N 0.142 118.883 118.700 0.070 0.000 2.693 18 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 18 N C -0.842 174.651 175.510 -0.029 0.000 1.119 18 N CA 0.556 53.633 53.050 0.045 0.000 0.717 18 N CB -1.173 37.376 38.487 0.103 0.000 1.071 18 N HN 0.071 nan 8.380 nan 0.000 0.555 19 V N 0.925 120.802 119.914 -0.062 0.000 2.461 19 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 19 V C -1.765 174.238 176.094 -0.152 0.000 1.047 19 V CA -1.245 61.006 62.300 -0.082 0.000 0.955 19 V CB 1.251 33.037 31.823 -0.062 0.000 0.988 19 V HN -0.065 nan 8.190 nan 0.000 0.471 20 P HA 0.209 nan 4.420 nan 0.000 0.268 20 P C -0.612 176.580 177.300 -0.179 0.000 1.204 20 P CA 0.140 63.146 63.100 -0.156 0.000 0.768 20 P CB 0.698 32.350 31.700 -0.080 0.000 0.842 21 V N 1.063 120.815 119.914 -0.271 0.000 2.864 21 V HA 0.690 4.810 4.120 -0.000 0.000 0.314 21 V C -0.457 175.549 176.094 -0.146 0.000 1.073 21 V CA -1.140 61.008 62.300 -0.252 0.000 0.956 21 V CB 2.407 33.861 31.823 -0.615 0.000 1.023 21 V HN 0.423 nan 8.190 nan 0.000 0.435 22 R N 3.001 123.493 120.500 -0.014 0.000 2.439 22 R HA 0.630 4.970 4.340 -0.000 0.000 0.310 22 R C -1.151 175.198 176.300 0.082 0.000 0.955 22 R CA -0.804 55.319 56.100 0.037 0.000 0.853 22 R CB 1.495 31.837 30.300 0.069 0.000 1.171 22 R HN 0.899 nan 8.270 nan 0.000 0.449 23 I N 3.854 124.469 120.570 0.075 0.000 2.505 23 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 23 I C 0.048 176.016 176.117 -0.250 0.000 1.104 23 I CA 0.480 61.805 61.300 0.042 0.000 1.387 23 I CB 1.280 39.264 38.000 -0.026 0.000 1.404 23 I HN 0.683 nan 8.210 nan 0.000 0.528 24 A N 5.658 128.222 122.820 -0.426 0.000 2.855 24 A HA 0.738 5.058 4.320 -0.000 0.000 0.313 24 A C -0.088 176.927 177.584 -0.949 0.000 1.173 24 A CA -0.240 51.051 52.037 -1.244 0.000 0.753 24 A CB 0.500 19.134 19.000 -0.610 0.000 1.200 24 A HN 0.778 nan 8.150 nan 0.000 0.442 25 G N 0.089 108.401 108.800 -0.814 0.000 3.166 25 G HA2 0.717 4.676 3.960 -0.000 0.000 0.267 25 G HA3 0.717 4.676 3.960 -0.000 0.000 0.267 25 G C -1.274 173.672 174.900 0.078 0.000 1.256 25 G CA -0.547 44.471 45.100 -0.136 0.000 0.859 25 G HN 0.807 nan 8.290 nan 0.000 0.590 26 I N -0.427 120.162 120.570 0.033 0.000 2.969 26 I HA 0.402 4.572 4.170 -0.000 0.000 0.307 26 I C -1.099 175.058 176.117 0.066 0.000 1.149 26 I CA -1.021 60.276 61.300 -0.005 0.000 1.008 26 I CB 2.488 40.262 38.000 -0.376 0.000 1.232 26 I HN 0.361 nan 8.210 nan 0.000 0.435 27 N N 4.433 123.177 118.700 0.074 0.000 2.438 27 N HA 0.200 4.940 4.740 -0.000 0.000 0.282 27 N C -1.848 173.685 175.510 0.040 0.000 1.037 27 N CA -0.311 52.777 53.050 0.064 0.000 0.942 27 N CB 1.532 40.020 38.487 0.002 0.000 1.136 27 N HN 0.428 nan 8.380 nan 0.000 0.481 28 W N 6.441 127.678 121.300 -0.105 0.000 2.393 28 W HA 0.339 4.998 4.660 -0.000 0.000 0.315 28 W C -1.326 175.134 176.519 -0.099 0.000 1.009 28 W CA -1.629 55.645 57.345 -0.118 0.000 1.313 28 W CB -0.188 29.228 29.460 -0.073 0.000 1.269 28 W HN 0.363 nan 8.180 nan 0.000 0.420 29 F N 2.613 122.537 119.950 -0.042 0.000 2.457 29 F HA 0.935 5.461 4.527 -0.000 0.000 0.330 29 F C 0.856 176.455 175.800 -0.334 0.000 1.069 29 F CA -0.523 57.349 58.000 -0.212 0.000 1.009 29 F CB 1.714 40.542 39.000 -0.286 0.000 1.276 29 F HN 0.515 nan 8.300 nan 0.000 0.492 30 G N 0.275 109.058 108.800 -0.029 0.000 3.302 30 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 30 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 30 G C 0.463 175.345 174.900 -0.030 0.000 1.008 30 G CA -0.256 44.703 45.100 -0.235 0.000 0.852 30 G HN 0.565 nan 8.290 nan 0.000 0.485 31 F N 2.437 122.386 119.950 -0.001 0.000 2.604 31 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 31 F C 2.512 178.424 175.800 0.187 0.000 1.131 31 F CA 1.617 59.677 58.000 0.099 0.000 1.457 31 F CB 0.455 39.516 39.000 0.101 0.000 1.095 31 F HN 0.342 nan 8.300 nan 0.000 0.574 32 E N 0.501 120.886 120.200 0.308 0.000 2.474 32 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 32 E C 0.658 177.355 176.600 0.162 0.000 1.041 32 E CA 0.483 57.030 56.400 0.245 0.000 0.874 32 E CB -0.911 28.906 29.700 0.195 0.000 0.914 32 E HN 0.316 nan 8.360 nan 0.000 0.498 33 T N -1.828 112.791 114.554 0.109 0.000 2.810 33 T HA 0.201 4.551 4.350 -0.000 0.000 0.277 33 T C 1.081 175.683 174.700 -0.164 0.000 0.973 33 T CA -0.328 61.802 62.100 0.049 0.000 0.949 33 T CB 0.988 69.947 68.868 0.152 0.000 1.075 33 T HN 0.120 nan 8.240 nan 0.000 0.537 34 c N 1.403 119.862 118.600 -0.236 0.000 2.509 34 c HA 0.211 4.780 4.570 -0.000 0.000 0.301 34 c C 2.007 175.604 174.090 -0.821 0.000 1.317 34 c CA -0.609 55.330 56.329 -0.650 0.000 1.667 34 c CB -2.264 40.112 42.510 -0.224 0.000 1.717 34 c HN 0.739 nan 8.230 nan 0.000 0.595 35 N N 0.015 118.461 118.700 -0.423 0.000 2.392 35 N HA 0.001 4.740 4.740 -0.000 0.000 0.177 35 N C 0.100 175.536 175.510 -0.123 0.000 1.066 35 N CA 0.314 53.247 53.050 -0.194 0.000 0.895 35 N CB -0.037 38.474 38.487 0.040 0.000 0.988 35 N HN 0.553 nan 8.380 nan 0.000 0.457 36 Y N -0.899 119.476 120.300 0.124 0.000 3.929 36 Y HA -0.189 4.361 4.550 -0.000 0.000 0.225 36 Y C -0.072 175.805 175.900 -0.038 0.000 1.200 36 Y CA -0.001 58.175 58.100 0.127 0.000 1.791 36 Y CB -2.025 36.519 38.460 0.141 0.000 1.561 36 Y HN -0.072 nan 8.280 nan 0.000 0.657 37 V N -1.403 118.372 119.914 -0.233 0.000 3.234 37 V HA 0.614 4.734 4.120 -0.000 0.000 0.280 37 V C -0.344 175.273 176.094 -0.795 0.000 1.580 37 V CA -1.047 60.696 62.300 -0.929 0.000 1.032 37 V CB 2.057 33.566 31.823 -0.523 0.000 1.203 37 V HN 0.540 nan 8.190 nan 0.000 0.459 38 V N 2.461 121.647 119.914 -1.214 0.000 2.814 38 V HA 0.285 4.405 4.120 -0.000 0.000 0.307 38 V C 0.564 176.377 176.094 -0.469 0.000 1.089 38 V CA 0.121 61.876 62.300 -0.909 0.000 1.212 38 V CB -0.352 30.483 31.823 -1.647 0.000 0.912 38 V HN 0.910 nan 8.190 nan 0.000 0.497 39 H N 2.853 121.633 119.070 -0.483 0.000 2.615 39 H HA 0.481 5.037 4.556 -0.000 0.000 0.363 39 H C 1.402 176.002 175.328 -1.213 0.000 1.148 39 H CA 0.059 55.679 56.048 -0.712 0.000 1.401 39 H CB 1.242 30.881 29.762 -0.205 0.000 1.461 39 H HN 1.203 nan 8.280 nan 0.000 0.588 40 G N 1.902 109.083 108.800 -2.698 0.000 2.194 40 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 40 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 40 G C 0.816 174.750 174.900 -1.610 0.000 0.987 40 G CA -0.019 43.224 45.100 -3.096 0.000 0.635 40 G HN 0.550 nan 8.290 nan 0.000 0.520 41 L N 0.214 120.818 121.223 -1.032 0.000 2.693 41 L HA 0.178 4.518 4.340 -0.000 0.000 0.242 41 L C 2.152 178.797 176.870 -0.375 0.000 1.157 41 L CA 1.053 55.600 54.840 -0.488 0.000 0.929 41 L CB -0.717 41.144 42.059 -0.331 0.000 1.103 41 L HN 0.690 nan 8.230 nan 0.000 0.430 42 W N -3.268 117.828 121.300 -0.341 0.000 3.107 42 W HA 0.254 4.914 4.660 -0.000 0.000 0.293 42 W C 1.447 177.833 176.519 -0.222 0.000 1.239 42 W CA -0.208 56.966 57.345 -0.285 0.000 1.653 42 W CB -0.555 28.720 29.460 -0.308 0.000 1.068 42 W HN -0.121 nan 8.180 nan 0.000 0.615 43 S N -0.332 115.274 115.700 -0.156 0.000 2.631 43 S HA 0.288 4.758 4.470 -0.000 0.000 0.246 43 S C 0.407 174.962 174.600 -0.075 0.000 1.068 43 S CA -0.336 57.833 58.200 -0.051 0.000 0.995 43 S CB 0.534 63.724 63.200 -0.018 0.000 0.944 43 S HN -0.060 nan 8.310 nan 0.000 0.529 44 R N 1.772 122.182 120.500 -0.150 0.000 2.744 44 R HA 0.364 4.704 4.340 -0.000 0.000 0.279 44 R C -1.272 175.007 176.300 -0.035 0.000 0.977 44 R CA -0.613 55.453 56.100 -0.057 0.000 0.906 44 R CB 0.914 31.203 30.300 -0.018 0.000 1.197 44 R HN 0.198 nan 8.270 nan 0.000 0.463 45 D N 1.607 121.996 120.400 -0.017 0.000 2.414 45 D HA -0.037 4.603 4.640 -0.000 0.000 0.242 45 D C 0.819 177.135 176.300 0.026 0.000 1.129 45 D CA 0.111 54.103 54.000 -0.013 0.000 0.885 45 D CB 0.844 41.594 40.800 -0.084 0.000 1.198 45 D HN 0.582 nan 8.370 nan 0.000 0.437 46 Y N 3.091 123.389 120.300 -0.005 0.000 2.314 46 Y HA -0.029 4.520 4.550 -0.000 0.000 0.293 46 Y C 2.151 178.083 175.900 0.054 0.000 1.129 46 Y CA 0.574 58.733 58.100 0.099 0.000 1.201 46 Y CB -0.217 38.318 38.460 0.124 0.000 0.999 46 Y HN 0.273 nan 8.280 nan 0.000 0.541 47 R N 0.593 120.606 120.500 -0.811 0.000 2.092 47 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 47 R C 2.601 178.745 176.300 -0.259 0.000 1.119 47 R CA 1.269 56.900 56.100 -0.781 0.000 0.970 47 R CB -0.625 28.886 30.300 -1.315 0.000 0.864 47 R HN 0.408 nan 8.270 nan 0.000 0.440 48 S N 0.081 115.658 115.700 -0.206 0.000 2.423 48 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 48 S C 1.856 176.449 174.600 -0.012 0.000 1.014 48 S CA 0.822 58.980 58.200 -0.071 0.000 0.965 48 S CB 0.029 63.195 63.200 -0.057 0.000 0.785 48 S HN 0.187 nan 8.310 nan 0.000 0.495 49 M N 0.691 120.285 119.600 -0.011 0.000 2.098 49 M HA 0.047 4.527 4.480 -0.000 0.000 0.262 49 M C 2.160 178.343 176.300 -0.196 0.000 1.072 49 M CA 1.109 56.383 55.300 -0.043 0.000 1.133 49 M CB -1.073 31.466 32.600 -0.103 0.000 1.344 49 M HN 0.375 nan 8.290 nan 0.000 0.414 50 L N 0.113 121.270 121.223 -0.110 0.000 2.013 50 L HA -0.300 4.039 4.340 -0.000 0.000 0.212 50 L C 2.081 178.922 176.870 -0.048 0.000 1.073 50 L CA 1.381 56.186 54.840 -0.058 0.000 0.753 50 L CB -0.942 41.261 42.059 0.241 0.000 0.890 50 L HN 0.317 nan 8.230 nan 0.000 0.432 51 D N -0.650 119.785 120.400 0.059 0.000 2.178 51 D HA -0.235 4.404 4.640 -0.000 0.000 0.201 51 D C 2.134 178.424 176.300 -0.017 0.000 0.980 51 D CA 1.115 55.138 54.000 0.037 0.000 0.842 51 D CB -0.045 40.804 40.800 0.082 0.000 0.948 51 D HN 0.421 nan 8.370 nan 0.000 0.472 52 Q N 0.011 119.798 119.800 -0.022 0.000 2.172 52 Q HA -0.070 4.269 4.340 -0.000 0.000 0.200 52 Q C 2.234 178.209 176.000 -0.042 0.000 0.964 52 Q CA 0.618 56.439 55.803 0.030 0.000 0.855 52 Q CB 0.070 28.905 28.738 0.161 0.000 0.918 52 Q HN 0.262 nan 8.270 nan 0.000 0.444 53 I N 0.596 120.989 120.570 -0.296 0.000 2.286 53 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 53 I C 2.451 178.496 176.117 -0.121 0.000 1.104 53 I CA 1.170 62.206 61.300 -0.439 0.000 1.397 53 I CB -0.182 37.327 38.000 -0.818 0.000 1.072 53 I HN 0.164 nan 8.210 nan 0.000 0.417 54 K N 0.921 121.250 120.400 -0.119 0.000 2.032 54 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 54 K C 2.320 178.883 176.600 -0.061 0.000 1.048 54 K CA 2.116 58.355 56.287 -0.081 0.000 0.927 54 K CB -0.313 32.134 32.500 -0.087 0.000 0.712 54 K HN 0.243 nan 8.250 nan 0.000 0.441 55 S N 0.487 116.164 115.700 -0.038 0.000 2.383 55 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 55 S C 1.868 176.459 174.600 -0.015 0.000 1.030 55 S CA 1.285 59.472 58.200 -0.020 0.000 1.002 55 S CB -0.361 62.842 63.200 0.005 0.000 0.829 55 S HN 0.440 nan 8.310 nan 0.000 0.467 56 L N 0.376 121.610 121.223 0.019 0.000 2.554 56 L HA 0.258 4.598 4.340 -0.000 0.000 0.226 56 L C 2.052 178.828 176.870 -0.156 0.000 1.137 56 L CA 0.544 55.400 54.840 0.026 0.000 0.863 56 L CB -0.292 41.910 42.059 0.239 0.000 0.985 56 L HN 0.702 nan 8.230 nan 0.000 0.451 57 G N -1.723 106.981 108.800 -0.159 0.000 2.259 57 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 57 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 57 G C 0.085 174.800 174.900 -0.309 0.000 1.001 57 G CA -0.502 44.440 45.100 -0.264 0.000 0.627 57 G HN 0.198 nan 8.290 nan 0.000 0.501 58 Y N 1.968 122.217 120.300 -0.085 0.000 2.511 58 Y HA 0.331 4.881 4.550 -0.000 0.000 0.332 58 Y C 1.581 177.384 175.900 -0.161 0.000 1.177 58 Y CA 0.652 58.678 58.100 -0.124 0.000 1.422 58 Y CB 0.650 39.040 38.460 -0.117 0.000 1.271 58 Y HN 0.365 nan 8.280 nan 0.000 0.550 59 N N -1.390 117.286 118.700 -0.041 0.000 2.197 59 N HA 0.098 4.838 4.740 -0.000 0.000 0.201 59 N C -0.517 175.093 175.510 0.166 0.000 1.148 59 N CA -0.009 52.997 53.050 -0.073 0.000 0.883 59 N CB 0.616 38.832 38.487 -0.452 0.000 1.012 59 N HN 0.408 nan 8.380 nan 0.000 0.507 60 T N 0.679 115.300 114.554 0.111 0.000 2.912 60 T HA 0.553 4.902 4.350 -0.000 0.000 0.299 60 T C -0.809 173.912 174.700 0.035 0.000 1.052 60 T CA -0.499 61.664 62.100 0.106 0.000 0.996 60 T CB 1.939 70.860 68.868 0.088 0.000 1.070 60 T HN -0.009 nan 8.240 nan 0.000 0.465 61 I N 2.028 122.608 120.570 0.017 0.000 2.406 61 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 61 I C 0.335 176.493 176.117 0.069 0.000 0.999 61 I CA -0.788 60.539 61.300 0.046 0.000 1.124 61 I CB 1.625 39.668 38.000 0.072 0.000 1.289 61 I HN 0.295 nan 8.210 nan 0.000 0.441 62 R N 5.888 126.481 120.500 0.154 0.000 2.234 62 R HA 0.393 4.733 4.340 -0.000 0.000 0.324 62 R C -1.264 175.165 176.300 0.216 0.000 1.054 62 R CA -0.634 55.602 56.100 0.228 0.000 0.912 62 R CB 0.676 31.218 30.300 0.404 0.000 1.030 62 R HN 0.452 nan 8.270 nan 0.000 0.455 63 L N 8.395 129.728 121.223 0.184 0.000 2.360 63 L HA 0.416 4.756 4.340 -0.000 0.000 0.265 63 L C -2.327 174.703 176.870 0.266 0.000 1.066 63 L CA -2.347 52.599 54.840 0.176 0.000 0.929 63 L CB 1.408 43.505 42.059 0.063 0.000 1.306 63 L HN 0.565 nan 8.230 nan 0.000 0.434 64 P HA 0.163 nan 4.420 nan 0.000 0.268 64 P C -1.547 175.973 177.300 0.367 0.000 1.204 64 P CA 0.359 63.620 63.100 0.269 0.000 0.768 64 P CB 0.301 32.002 31.700 0.001 0.000 0.842 65 Y N 0.047 120.499 120.300 0.253 0.000 2.638 65 Y HA 0.792 5.341 4.550 -0.000 0.000 0.339 65 Y C -0.540 175.535 175.900 0.291 0.000 1.084 65 Y CA -1.356 56.899 58.100 0.259 0.000 1.068 65 Y CB 1.067 39.632 38.460 0.175 0.000 1.294 65 Y HN 0.383 nan 8.280 nan 0.000 0.480 66 S N -0.536 115.364 115.700 0.333 0.000 2.600 66 S HA 0.341 4.811 4.470 -0.000 0.000 0.300 66 S C -0.598 174.239 174.600 0.394 0.000 1.087 66 S CA -0.467 57.872 58.200 0.231 0.000 0.965 66 S CB 1.578 64.926 63.200 0.247 0.000 1.089 66 S HN 0.753 nan 8.310 nan 0.000 0.496 67 D N 1.097 121.683 120.400 0.311 0.000 2.350 67 D HA 0.002 4.642 4.640 -0.000 0.000 0.216 67 D C 0.703 177.170 176.300 0.279 0.000 0.968 67 D CA 0.758 54.966 54.000 0.347 0.000 0.894 67 D CB -0.006 40.972 40.800 0.296 0.000 0.909 67 D HN 0.531 nan 8.370 nan 0.000 0.520 68 D N 0.640 121.207 120.400 0.279 0.000 2.123 68 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 68 D C 2.172 178.578 176.300 0.177 0.000 0.992 68 D CA 0.620 54.760 54.000 0.234 0.000 0.833 68 D CB -0.384 40.626 40.800 0.350 0.000 0.954 68 D HN 0.459 nan 8.370 nan 0.000 0.455 69 I N -1.756 118.974 120.570 0.266 0.000 2.850 69 I HA -0.148 4.022 4.170 -0.000 0.000 0.266 69 I C 1.449 177.637 176.117 0.119 0.000 1.257 69 I CA 0.956 62.374 61.300 0.197 0.000 1.465 69 I CB -0.161 38.018 38.000 0.299 0.000 1.091 69 I HN -0.130 nan 8.210 nan 0.000 0.467 70 L N 0.902 122.207 121.223 0.136 0.000 2.567 70 L HA 0.210 4.550 4.340 -0.000 0.000 0.225 70 L C 0.912 177.818 176.870 0.060 0.000 1.119 70 L CA 0.427 55.319 54.840 0.086 0.000 0.871 70 L CB -0.259 41.868 42.059 0.114 0.000 1.036 70 L HN 0.076 nan 8.230 nan 0.000 0.459 71 K N 1.356 121.790 120.400 0.058 0.000 2.416 71 K HA 0.117 4.437 4.320 -0.000 0.000 0.283 71 K C -2.207 174.395 176.600 0.004 0.000 1.037 71 K CA -1.715 54.590 56.287 0.030 0.000 0.995 71 K CB -0.031 32.482 32.500 0.022 0.000 0.938 71 K HN -0.168 nan 8.250 nan 0.000 0.475 72 P HA -0.099 nan 4.420 nan 0.000 0.265 72 P C 0.555 177.847 177.300 -0.013 0.000 1.187 72 P CA 0.758 63.857 63.100 -0.002 0.000 0.766 72 P CB 0.500 32.201 31.700 0.001 0.000 0.820 73 G N 1.407 110.199 108.800 -0.013 0.000 2.168 73 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 73 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 73 G C 0.296 175.171 174.900 -0.042 0.000 0.997 73 G CA 0.186 45.276 45.100 -0.018 0.000 0.708 73 G HN 0.599 nan 8.290 nan 0.000 0.520 74 T N 1.475 115.991 114.554 -0.063 0.000 2.884 74 T HA 0.606 4.956 4.350 -0.000 0.000 0.298 74 T C 0.617 175.258 174.700 -0.099 0.000 0.998 74 T CA 0.373 62.382 62.100 -0.153 0.000 1.124 74 T CB 0.907 69.648 68.868 -0.211 0.000 0.931 74 T HN 0.277 nan 8.240 nan 0.000 0.531 75 M N 3.387 122.917 119.600 -0.117 0.000 2.572 75 M HA 0.386 4.866 4.480 -0.000 0.000 0.299 75 M C -2.570 173.815 176.300 0.142 0.000 1.205 75 M CA -2.425 52.894 55.300 0.031 0.000 0.876 75 M CB 2.294 34.924 32.600 0.050 0.000 1.728 75 M HN 0.244 nan 8.290 nan 0.000 0.458 76 P HA 0.165 nan 4.420 nan 0.000 0.272 76 P C -0.622 176.798 177.300 0.200 0.000 1.223 76 P CA 0.028 63.249 63.100 0.201 0.000 0.784 76 P CB 0.212 31.971 31.700 0.099 0.000 0.923 77 N N -1.711 117.096 118.700 0.178 0.000 2.307 77 N HA 0.076 4.815 4.740 -0.000 0.000 0.248 77 N C -0.479 175.080 175.510 0.082 0.000 1.322 77 N CA -0.362 52.773 53.050 0.142 0.000 0.861 77 N CB -0.188 38.395 38.487 0.160 0.000 1.303 77 N HN 0.145 nan 8.380 nan 0.000 0.498 78 S N -0.456 115.283 115.700 0.065 0.000 2.901 78 S HA 0.421 4.891 4.470 -0.000 0.000 0.248 78 S C -0.375 174.268 174.600 0.072 0.000 1.021 78 S CA -0.695 57.564 58.200 0.099 0.000 1.090 78 S CB -0.571 62.752 63.200 0.206 0.000 1.039 78 S HN 0.210 nan 8.310 nan 0.000 0.514 79 I N 2.365 122.873 120.570 -0.103 0.000 2.359 79 I HA 0.389 4.559 4.170 -0.000 0.000 0.294 79 I C -0.039 175.773 176.117 -0.508 0.000 0.987 79 I CA -0.720 60.356 61.300 -0.373 0.000 1.225 79 I CB 1.185 38.805 38.000 -0.635 0.000 1.366 79 I HN 0.285 nan 8.210 nan 0.000 0.466 80 N N 5.427 123.916 118.700 -0.352 0.000 2.455 80 N HA 0.250 4.990 4.740 -0.000 0.000 0.280 80 N C -0.465 174.864 175.510 -0.302 0.000 1.055 80 N CA -0.073 52.851 53.050 -0.210 0.000 0.961 80 N CB 1.024 39.507 38.487 -0.006 0.000 1.121 80 N HN 0.411 nan 8.380 nan 0.000 0.476 81 F N 2.137 122.148 119.950 0.101 0.000 2.654 81 F HA 0.174 4.701 4.527 -0.000 0.000 0.303 81 F C -0.042 175.833 175.800 0.126 0.000 1.099 81 F CA -0.632 57.423 58.000 0.093 0.000 1.270 81 F CB -0.138 38.906 39.000 0.074 0.000 1.024 81 F HN 0.447 nan 8.300 nan 0.000 0.548 82 Y N 2.983 123.372 120.300 0.149 0.000 2.486 82 Y HA 0.234 4.784 4.550 -0.000 0.000 0.348 82 Y C 0.871 176.812 175.900 0.067 0.000 1.000 82 Y CA -0.665 57.495 58.100 0.099 0.000 1.253 82 Y CB 0.061 38.564 38.460 0.071 0.000 1.140 82 Y HN 0.221 nan 8.280 nan 0.000 0.526 83 Q N 3.425 123.024 119.800 -0.334 0.000 2.416 83 Q HA -0.249 4.091 4.340 -0.000 0.000 0.235 83 Q C -0.840 175.093 176.000 -0.112 0.000 0.773 83 Q CA 1.531 57.145 55.803 -0.316 0.000 1.286 83 Q CB -2.027 26.442 28.738 -0.447 0.000 1.556 83 Q HN 0.911 nan 8.270 nan 0.000 0.650 84 M N -4.327 115.259 119.600 -0.023 0.000 2.643 84 M HA 0.520 5.000 4.480 -0.000 0.000 0.276 84 M C -0.304 176.040 176.300 0.074 0.000 1.200 84 M CA -0.564 54.740 55.300 0.007 0.000 0.863 84 M CB 1.421 34.017 32.600 -0.006 0.000 1.711 84 M HN -0.112 nan 8.290 nan 0.000 0.492 85 N N 0.403 119.164 118.700 0.101 0.000 2.713 85 N HA -0.170 4.569 4.740 -0.000 0.000 0.251 85 N C 0.513 176.189 175.510 0.276 0.000 1.117 85 N CA 1.472 54.637 53.050 0.191 0.000 0.770 85 N CB -0.918 37.586 38.487 0.027 0.000 1.137 85 N HN 0.861 nan 8.380 nan 0.000 0.566 86 Q N 0.081 120.009 119.800 0.214 0.000 2.297 86 Q HA -0.153 4.187 4.340 -0.000 0.000 0.208 86 Q C 1.091 177.198 176.000 0.179 0.000 0.981 86 Q CA 1.617 57.542 55.803 0.202 0.000 0.876 86 Q CB -0.138 28.661 28.738 0.102 0.000 0.921 86 Q HN 0.655 nan 8.270 nan 0.000 0.446 87 D N -0.257 120.255 120.400 0.188 0.000 2.340 87 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 87 D C 1.457 177.840 176.300 0.138 0.000 1.039 87 D CA 0.128 54.214 54.000 0.144 0.000 0.866 87 D CB -0.091 40.797 40.800 0.147 0.000 0.913 87 D HN 0.258 nan 8.370 nan 0.000 0.523 88 L N -0.691 120.651 121.223 0.198 0.000 2.513 88 L HA 0.127 4.467 4.340 -0.000 0.000 0.222 88 L C 1.181 178.222 176.870 0.284 0.000 1.096 88 L CA -0.207 54.745 54.840 0.186 0.000 0.857 88 L CB -0.195 41.943 42.059 0.132 0.000 1.026 88 L HN -0.055 nan 8.230 nan 0.000 0.469 89 Q N 0.897 120.840 119.800 0.237 0.000 2.263 89 Q HA 0.142 4.482 4.340 -0.000 0.000 0.289 89 Q C 1.130 177.063 176.000 -0.111 0.000 1.061 89 Q CA 1.140 56.814 55.803 -0.216 0.000 0.927 89 Q CB 0.406 28.857 28.738 -0.477 0.000 1.154 89 Q HN 0.370 nan 8.270 nan 0.000 0.378 90 G N 3.252 111.978 108.800 -0.122 0.000 2.148 90 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 90 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 90 G C -0.166 174.739 174.900 0.007 0.000 0.981 90 G CA 0.233 45.301 45.100 -0.054 0.000 0.670 90 G HN 0.517 nan 8.290 nan 0.000 0.528 91 L N 1.351 122.604 121.223 0.049 0.000 2.343 91 L HA 0.572 4.912 4.340 -0.000 0.000 0.275 91 L C 1.519 178.429 176.870 0.067 0.000 1.056 91 L CA -0.441 54.431 54.840 0.054 0.000 0.804 91 L CB 1.204 43.299 42.059 0.060 0.000 1.203 91 L HN 0.341 nan 8.230 nan 0.000 0.440 92 T N -1.650 112.936 114.554 0.052 0.000 2.802 92 T HA 0.050 4.400 4.350 -0.000 0.000 0.305 92 T C 1.245 176.006 174.700 0.102 0.000 1.053 92 T CA -0.524 61.612 62.100 0.060 0.000 1.058 92 T CB 1.064 69.954 68.868 0.035 0.000 0.988 92 T HN 0.568 nan 8.240 nan 0.000 0.539 93 S N 0.311 116.091 115.700 0.134 0.000 2.372 93 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 93 S C 1.955 176.701 174.600 0.244 0.000 1.044 93 S CA 1.296 59.654 58.200 0.264 0.000 1.050 93 S CB -0.686 62.693 63.200 0.298 0.000 0.901 93 S HN 0.594 nan 8.310 nan 0.000 0.447 94 L N 0.854 122.139 121.223 0.103 0.000 2.056 94 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 94 L C 2.715 179.606 176.870 0.034 0.000 1.078 94 L CA 1.256 56.109 54.840 0.021 0.000 0.749 94 L CB -0.530 41.521 42.059 -0.012 0.000 0.901 94 L HN 0.381 nan 8.230 nan 0.000 0.433 95 Q N -0.732 119.095 119.800 0.046 0.000 2.135 95 Q HA -0.194 4.145 4.340 -0.000 0.000 0.204 95 Q C 2.261 178.293 176.000 0.054 0.000 0.981 95 Q CA 1.552 57.382 55.803 0.044 0.000 0.856 95 Q CB -0.148 28.613 28.738 0.038 0.000 0.902 95 Q HN 0.358 nan 8.270 nan 0.000 0.425 96 V N 0.881 120.847 119.914 0.087 0.000 2.343 96 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 96 V C 2.205 178.360 176.094 0.103 0.000 1.051 96 V CA 1.895 64.238 62.300 0.072 0.000 1.036 96 V CB -0.547 31.345 31.823 0.116 0.000 0.654 96 V HN 0.468 nan 8.190 nan 0.000 0.451 97 M N 0.120 119.787 119.600 0.113 0.000 2.117 97 M HA -0.217 4.263 4.480 -0.000 0.000 0.262 97 M C 1.941 178.241 176.300 -0.000 0.000 1.065 97 M CA 2.130 57.386 55.300 -0.073 0.000 1.114 97 M CB -0.417 31.932 32.600 -0.418 0.000 1.361 97 M HN 0.299 nan 8.290 nan 0.000 0.408 98 D N 0.711 121.161 120.400 0.083 0.000 2.157 98 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 98 D C 1.859 178.212 176.300 0.089 0.000 1.004 98 D CA 1.597 55.683 54.000 0.143 0.000 0.854 98 D CB -0.293 40.578 40.800 0.117 0.000 0.936 98 D HN 0.262 nan 8.370 nan 0.000 0.446 99 K N 0.173 120.605 120.400 0.054 0.000 2.026 99 K HA 0.009 4.329 4.320 -0.000 0.000 0.208 99 K C 2.189 178.881 176.600 0.154 0.000 1.048 99 K CA 0.562 56.890 56.287 0.067 0.000 0.929 99 K CB -0.327 32.119 32.500 -0.090 0.000 0.713 99 K HN 0.177 nan 8.250 nan 0.000 0.439 100 I N -0.214 120.404 120.570 0.080 0.000 2.226 100 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 100 I C 1.938 178.138 176.117 0.139 0.000 1.100 100 I CA 0.935 62.347 61.300 0.186 0.000 1.374 100 I CB -0.231 37.836 38.000 0.112 0.000 1.057 100 I HN -0.060 nan 8.210 nan 0.000 0.413 101 V N 1.107 121.023 119.914 0.003 0.000 2.407 101 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 101 V C 2.663 178.739 176.094 -0.030 0.000 1.055 101 V CA 2.049 64.283 62.300 -0.109 0.000 1.049 101 V CB -0.888 30.739 31.823 -0.328 0.000 0.662 101 V HN 0.493 nan 8.190 nan 0.000 0.455 102 A N -1.109 121.748 122.820 0.060 0.000 1.872 102 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 102 A C 2.161 179.818 177.584 0.122 0.000 1.187 102 A CA 1.779 53.866 52.037 0.083 0.000 0.614 102 A CB -0.762 18.313 19.000 0.125 0.000 0.826 102 A HN 0.571 nan 8.150 nan 0.000 0.442 103 Y N 0.837 121.190 120.300 0.088 0.000 2.145 103 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 103 Y C 2.692 178.614 175.900 0.037 0.000 1.145 103 Y CA 1.183 59.326 58.100 0.072 0.000 1.148 103 Y CB -0.704 37.820 38.460 0.106 0.000 0.981 103 Y HN 0.306 nan 8.280 nan 0.000 0.507 104 A N -0.043 122.796 122.820 0.031 0.000 1.948 104 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 104 A C 2.492 180.002 177.584 -0.123 0.000 1.177 104 A CA 1.970 53.968 52.037 -0.066 0.000 0.636 104 A CB -1.673 17.335 19.000 0.014 0.000 0.815 104 A HN 0.603 nan 8.150 nan 0.000 0.449 105 G N -1.281 107.459 108.800 -0.101 0.000 2.394 105 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 105 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 105 G C 1.531 176.363 174.900 -0.112 0.000 1.165 105 G CA 0.792 45.828 45.100 -0.106 0.000 0.784 105 G HN 0.628 nan 8.290 nan 0.000 0.535 106 Q N -0.147 119.572 119.800 -0.135 0.000 2.297 106 Q HA -0.050 4.290 4.340 -0.000 0.000 0.208 106 Q C 2.181 178.053 176.000 -0.214 0.000 0.981 106 Q CA 1.146 56.861 55.803 -0.147 0.000 0.876 106 Q CB -0.176 28.487 28.738 -0.124 0.000 0.921 106 Q HN 0.850 nan 8.270 nan 0.000 0.446 107 I N -5.867 114.525 120.570 -0.296 0.000 4.025 107 I HA 0.465 4.635 4.170 -0.000 0.000 0.336 107 I C 0.870 176.900 176.117 -0.145 0.000 1.390 107 I CA 0.319 61.451 61.300 -0.280 0.000 1.099 107 I CB 0.829 38.550 38.000 -0.465 0.000 1.049 107 I HN 0.083 nan 8.210 nan 0.000 0.394 108 G N 1.713 110.466 108.800 -0.078 0.000 2.176 108 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.232 108 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.232 108 G C 0.043 175.007 174.900 0.106 0.000 0.986 108 G CA 0.038 45.151 45.100 0.022 0.000 0.643 108 G HN 0.337 nan 8.290 nan 0.000 0.522 109 L N 0.057 121.305 121.223 0.043 0.000 2.439 109 L HA 0.743 5.082 4.340 -0.000 0.000 0.259 109 L C 0.861 177.787 176.870 0.093 0.000 1.129 109 L CA -0.847 54.054 54.840 0.101 0.000 0.803 109 L CB 0.678 42.739 42.059 0.003 0.000 1.161 109 L HN 0.016 nan 8.230 nan 0.000 0.462 110 R N 1.099 121.652 120.500 0.090 0.000 2.854 110 R HA 0.664 5.004 4.340 -0.000 0.000 0.271 110 R C -1.103 175.113 176.300 -0.140 0.000 0.994 110 R CA -0.815 55.208 56.100 -0.129 0.000 0.945 110 R CB 2.076 32.181 30.300 -0.326 0.000 1.194 110 R HN 0.474 nan 8.270 nan 0.000 0.476 111 I N 2.328 122.753 120.570 -0.241 0.000 2.436 111 I HA 0.423 4.593 4.170 -0.000 0.000 0.289 111 I C -0.221 175.728 176.117 -0.280 0.000 1.010 111 I CA -0.578 60.593 61.300 -0.216 0.000 1.098 111 I CB 1.902 39.762 38.000 -0.233 0.000 1.266 111 I HN 0.304 nan 8.210 nan 0.000 0.434 112 I N 6.895 127.333 120.570 -0.221 0.000 2.339 112 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 112 I C -0.377 175.670 176.117 -0.117 0.000 0.994 112 I CA -0.528 60.627 61.300 -0.242 0.000 1.191 112 I CB 1.212 38.976 38.000 -0.393 0.000 1.343 112 I HN 0.300 nan 8.210 nan 0.000 0.458 113 L N 5.696 126.796 121.223 -0.205 0.000 2.305 113 L HA 0.286 4.626 4.340 -0.000 0.000 0.281 113 L C -0.369 176.706 176.870 0.343 0.000 1.085 113 L CA -0.106 54.737 54.840 0.005 0.000 0.813 113 L CB 0.867 42.795 42.059 -0.219 0.000 1.157 113 L HN 0.568 nan 8.230 nan 0.000 0.436 114 D N 3.204 123.909 120.400 0.507 0.000 2.462 114 D HA 0.089 4.729 4.640 -0.000 0.000 0.245 114 D C -0.191 176.283 176.300 0.290 0.000 1.122 114 D CA -0.657 53.634 54.000 0.485 0.000 0.864 114 D CB 0.866 41.940 40.800 0.458 0.000 1.098 114 D HN 0.093 nan 8.370 nan 0.000 0.541 115 R N 2.910 123.521 120.500 0.184 0.000 2.488 115 R HA 0.006 4.346 4.340 -0.000 0.000 0.306 115 R C 0.042 176.314 176.300 -0.046 0.000 1.271 115 R CA 0.317 56.279 56.100 -0.231 0.000 1.022 115 R CB -0.661 29.792 30.300 0.255 0.000 1.054 115 R HN 0.680 nan 8.270 nan 0.000 0.500 116 H N 1.857 120.815 119.070 -0.187 0.000 2.562 116 H HA 0.278 4.834 4.556 -0.000 0.000 0.267 116 H C -0.217 175.045 175.328 -0.109 0.000 0.959 116 H CA 0.597 56.593 56.048 -0.087 0.000 1.204 116 H CB 0.522 30.307 29.762 0.039 0.000 1.430 116 H HN 0.344 nan 8.280 nan 0.000 0.545 117 R N -1.032 119.481 120.500 0.021 0.000 2.594 117 R HA 0.149 4.489 4.340 -0.000 0.000 0.265 117 R C -2.413 173.936 176.300 0.082 0.000 1.070 117 R CA -1.631 54.499 56.100 0.051 0.000 0.909 117 R CB 1.893 32.265 30.300 0.120 0.000 1.243 117 R HN -0.019 nan 8.270 nan 0.000 0.455 118 P HA -0.120 nan 4.420 nan 0.000 0.219 118 P C -0.708 176.676 177.300 0.139 0.000 1.150 118 P CA 1.283 64.454 63.100 0.118 0.000 0.814 118 P CB 0.167 31.905 31.700 0.064 0.000 0.787 119 D N -3.841 116.636 120.400 0.128 0.000 2.615 119 D HA 0.082 4.722 4.640 -0.000 0.000 0.267 119 D C 0.445 176.837 176.300 0.153 0.000 1.236 119 D CA -0.825 53.269 54.000 0.157 0.000 0.839 119 D CB -0.142 40.739 40.800 0.134 0.000 1.380 119 D HN -0.049 nan 8.370 nan 0.000 0.433 120 c N -0.308 118.402 118.600 0.183 0.000 2.466 120 c HA 0.076 4.646 4.570 -0.000 0.000 0.283 120 c C 2.172 176.320 174.090 0.096 0.000 1.472 120 c CA 0.689 57.104 56.329 0.143 0.000 1.765 120 c CB -1.765 40.822 42.510 0.129 0.000 1.724 120 c HN 0.592 nan 8.230 nan 0.000 0.560 121 S N 0.360 116.115 115.700 0.093 0.000 2.436 121 S HA 0.450 4.920 4.470 -0.000 0.000 0.228 121 S C 0.933 175.570 174.600 0.061 0.000 1.014 121 S CA 0.856 59.097 58.200 0.069 0.000 0.950 121 S CB -0.384 62.852 63.200 0.062 0.000 0.784 121 S HN 1.537 nan 8.310 nan 0.000 0.504 122 G N -0.504 108.336 108.800 0.067 0.000 2.313 122 G HA2 0.379 4.339 3.960 -0.000 0.000 0.296 122 G HA3 0.379 4.339 3.960 -0.000 0.000 0.296 122 G C -1.891 173.043 174.900 0.057 0.000 1.356 122 G CA -1.056 44.081 45.100 0.062 0.000 0.833 122 G HN 0.261 nan 8.290 nan 0.000 0.552 123 Q N -0.628 119.204 119.800 0.054 0.000 2.382 123 Q HA 0.569 4.909 4.340 -0.000 0.000 0.229 123 Q C 0.213 176.218 176.000 0.009 0.000 1.006 123 Q CA -0.023 55.795 55.803 0.025 0.000 0.916 123 Q CB 1.188 29.953 28.738 0.045 0.000 1.235 123 Q HN 0.738 nan 8.270 nan 0.000 0.512 124 S N -1.006 114.683 115.700 -0.019 0.000 2.542 124 S HA 0.625 5.095 4.470 -0.000 0.000 0.293 124 S C 0.049 174.507 174.600 -0.236 0.000 1.089 124 S CA -0.473 57.651 58.200 -0.127 0.000 0.961 124 S CB 1.802 64.899 63.200 -0.171 0.000 1.062 124 S HN 0.678 nan 8.310 nan 0.000 0.483 125 A N 1.710 124.190 122.820 -0.568 0.000 2.016 125 A HA 0.358 4.678 4.320 -0.000 0.000 0.217 125 A C 0.724 177.873 177.584 -0.724 0.000 1.162 125 A CA 0.475 51.850 52.037 -1.103 0.000 0.662 125 A CB -0.430 17.715 19.000 -1.426 0.000 0.812 125 A HN 0.770 nan 8.150 nan 0.000 0.450 126 L N -2.257 118.524 121.223 -0.736 0.000 2.331 126 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 126 L C 0.950 177.196 176.870 -1.040 0.000 1.015 126 L CA -0.864 53.399 54.840 -0.961 0.000 0.807 126 L CB 1.060 42.238 42.059 -1.468 0.000 1.293 126 L HN 0.740 nan 8.230 nan 0.000 0.451 127 W N -0.111 120.599 121.300 -0.983 0.000 3.077 127 W HA 0.121 4.781 4.660 -0.000 0.000 0.245 127 W C -0.048 176.027 176.519 -0.740 0.000 1.316 127 W CA -0.641 55.940 57.345 -1.273 0.000 1.537 127 W CB -0.779 27.897 29.460 -1.307 0.000 1.131 127 W HN 0.335 nan 8.180 nan 0.000 0.695 128 Y N -0.039 119.753 120.300 -0.845 0.000 2.609 128 Y HA 0.860 5.410 4.550 -0.000 0.000 0.342 128 Y C -0.147 175.524 175.900 -0.382 0.000 1.058 128 Y CA -1.645 56.163 58.100 -0.486 0.000 1.055 128 Y CB 1.086 39.299 38.460 -0.413 0.000 1.292 128 Y HN -0.071 nan 8.280 nan 0.000 0.476 129 T N -2.647 111.855 114.554 -0.087 0.000 2.812 129 T HA 0.358 4.708 4.350 -0.000 0.000 0.294 129 T C 0.496 175.211 174.700 0.026 0.000 1.159 129 T CA -0.283 61.755 62.100 -0.104 0.000 1.008 129 T CB 1.048 69.858 68.868 -0.098 0.000 1.289 129 T HN 0.880 nan 8.240 nan 0.000 0.514 130 S N 0.803 116.503 115.700 -0.001 0.000 2.370 130 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 130 S C 2.192 176.810 174.600 0.029 0.000 1.033 130 S CA 1.535 59.746 58.200 0.018 0.000 1.011 130 S CB -0.976 62.223 63.200 -0.000 0.000 0.852 130 S HN 0.906 nan 8.310 nan 0.000 0.457 131 S N 1.074 116.790 115.700 0.026 0.000 2.348 131 S HA 0.079 4.549 4.470 -0.000 0.000 0.219 131 S C 0.571 175.208 174.600 0.062 0.000 1.033 131 S CA 0.476 58.700 58.200 0.041 0.000 0.974 131 S CB -0.417 62.806 63.200 0.040 0.000 0.868 131 S HN 0.320 nan 8.310 nan 0.000 0.459 132 V N 3.264 123.218 119.914 0.066 0.000 2.347 132 V HA 0.564 4.684 4.120 -0.000 0.000 0.280 132 V C 0.213 176.380 176.094 0.122 0.000 1.021 132 V CA -0.560 61.801 62.300 0.102 0.000 0.847 132 V CB 0.873 32.768 31.823 0.120 0.000 0.990 132 V HN 0.568 nan 8.190 nan 0.000 0.444 133 S N 2.478 118.264 115.700 0.143 0.000 2.610 133 S HA 0.270 4.740 4.470 -0.000 0.000 0.273 133 S C 1.028 175.782 174.600 0.257 0.000 1.274 133 S CA -0.027 58.267 58.200 0.156 0.000 1.023 133 S CB 1.489 64.753 63.200 0.107 0.000 0.962 133 S HN 0.841 nan 8.310 nan 0.000 0.523 134 E N 1.943 122.305 120.200 0.270 0.000 2.086 134 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 134 E C 2.120 178.989 176.600 0.449 0.000 1.012 134 E CA 1.628 58.328 56.400 0.499 0.000 0.812 134 E CB -0.603 29.349 29.700 0.421 0.000 0.743 134 E HN 0.875 nan 8.360 nan 0.000 0.453 135 A N -0.148 122.819 122.820 0.245 0.000 1.933 135 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 135 A C 2.365 180.055 177.584 0.177 0.000 1.175 135 A CA 1.999 54.136 52.037 0.167 0.000 0.628 135 A CB -0.773 18.285 19.000 0.098 0.000 0.814 135 A HN 0.325 nan 8.150 nan 0.000 0.444 136 T N -1.828 112.855 114.554 0.215 0.000 2.812 136 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 136 T C 1.427 176.298 174.700 0.284 0.000 1.042 136 T CA 1.260 63.482 62.100 0.203 0.000 1.140 136 T CB -0.316 68.662 68.868 0.184 0.000 0.870 136 T HN 0.716 nan 8.240 nan 0.000 0.445 137 W N 2.604 123.997 121.300 0.156 0.000 2.290 137 W HA -0.216 4.444 4.660 -0.000 0.000 0.328 137 W C 1.731 178.345 176.519 0.158 0.000 1.272 137 W CA 1.152 58.614 57.345 0.194 0.000 1.262 137 W CB -0.854 28.756 29.460 0.251 0.000 1.151 137 W HN 0.151 nan 8.180 nan 0.000 0.473 138 I N 0.869 121.456 120.570 0.029 0.000 2.252 138 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 138 I C 2.446 178.478 176.117 -0.141 0.000 1.102 138 I CA 1.967 63.110 61.300 -0.261 0.000 1.385 138 I CB -1.826 36.077 38.000 -0.162 0.000 1.064 138 I HN 0.096 nan 8.210 nan 0.000 0.414 139 S N 0.918 116.606 115.700 -0.020 0.000 2.368 139 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 139 S C 1.581 176.173 174.600 -0.013 0.000 1.030 139 S CA 1.308 59.498 58.200 -0.017 0.000 0.999 139 S CB -0.533 62.681 63.200 0.024 0.000 0.844 139 S HN 0.369 nan 8.310 nan 0.000 0.459 140 D N 2.134 122.564 120.400 0.049 0.000 2.092 140 D HA -0.020 4.620 4.640 -0.000 0.000 0.193 140 D C 2.004 178.317 176.300 0.022 0.000 0.994 140 D CA 1.017 55.071 54.000 0.091 0.000 0.828 140 D CB -0.616 40.325 40.800 0.234 0.000 0.963 140 D HN 0.327 nan 8.370 nan 0.000 0.450 141 L N 0.614 121.805 121.223 -0.053 0.000 2.043 141 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 141 L C 2.575 179.251 176.870 -0.323 0.000 1.075 141 L CA 1.328 56.030 54.840 -0.230 0.000 0.752 141 L CB -0.460 41.351 42.059 -0.412 0.000 0.891 141 L HN 0.082 nan 8.230 nan 0.000 0.432 142 Q N -0.458 119.200 119.800 -0.237 0.000 2.119 142 Q HA -0.179 4.161 4.340 -0.000 0.000 0.201 142 Q C 2.475 178.392 176.000 -0.138 0.000 0.972 142 Q CA 1.453 57.135 55.803 -0.202 0.000 0.847 142 Q CB -0.264 28.382 28.738 -0.153 0.000 0.903 142 Q HN 0.584 nan 8.270 nan 0.000 0.433 143 A N 1.188 123.951 122.820 -0.095 0.000 1.908 143 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 143 A C 2.098 179.628 177.584 -0.090 0.000 1.181 143 A CA 1.134 53.126 52.037 -0.075 0.000 0.627 143 A CB -0.679 18.295 19.000 -0.043 0.000 0.818 143 A HN 0.273 nan 8.150 nan 0.000 0.445 144 L N -1.012 120.178 121.223 -0.055 0.000 2.056 144 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 144 L C 3.093 180.040 176.870 0.130 0.000 1.078 144 L CA 1.010 55.861 54.840 0.019 0.000 0.749 144 L CB -0.539 41.632 42.059 0.188 0.000 0.901 144 L HN 0.451 nan 8.230 nan 0.000 0.433 145 A N -0.368 122.502 122.820 0.082 0.000 1.930 145 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 145 A C 2.198 179.820 177.584 0.064 0.000 1.175 145 A CA 1.762 53.903 52.037 0.172 0.000 0.627 145 A CB -0.448 18.504 19.000 -0.080 0.000 0.815 145 A HN 0.420 nan 8.150 nan 0.000 0.443 146 Q N -0.191 119.586 119.800 -0.039 0.000 2.119 146 Q HA -0.097 4.242 4.340 -0.000 0.000 0.201 146 Q C 2.160 178.102 176.000 -0.098 0.000 0.972 146 Q CA 1.664 57.432 55.803 -0.057 0.000 0.847 146 Q CB -0.257 28.437 28.738 -0.072 0.000 0.903 146 Q HN 0.617 nan 8.270 nan 0.000 0.433 147 R N -1.172 119.205 120.500 -0.204 0.000 2.120 147 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 147 R C 0.463 176.437 176.300 -0.543 0.000 1.123 147 R CA 1.280 57.123 56.100 -0.430 0.000 0.975 147 R CB 0.082 29.977 30.300 -0.675 0.000 0.866 147 R HN 0.355 nan 8.270 nan 0.000 0.446 148 Y N -0.141 120.187 120.300 0.046 0.000 2.636 148 Y HA 0.231 4.781 4.550 -0.000 0.000 0.260 148 Y C -0.227 175.722 175.900 0.082 0.000 1.177 148 Y CA -0.685 57.441 58.100 0.042 0.000 1.209 148 Y CB 0.184 38.657 38.460 0.021 0.000 1.166 148 Y HN -0.172 nan 8.280 nan 0.000 0.531 149 K N 0.819 121.307 120.400 0.147 0.000 2.402 149 K HA 0.371 4.691 4.320 -0.000 0.000 0.285 149 K C 1.215 177.900 176.600 0.142 0.000 1.054 149 K CA 1.304 57.669 56.287 0.130 0.000 1.001 149 K CB -0.212 32.315 32.500 0.044 0.000 0.946 149 K HN 0.470 nan 8.250 nan 0.000 0.473 150 G N 3.059 111.994 108.800 0.226 0.000 2.238 150 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 150 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 150 G C -0.318 174.661 174.900 0.132 0.000 0.996 150 G CA 0.017 45.230 45.100 0.188 0.000 0.632 150 G HN 0.696 nan 8.290 nan 0.000 0.503 151 N N 1.488 120.266 118.700 0.129 0.000 2.546 151 N HA 0.480 5.220 4.740 -0.000 0.000 0.238 151 N C -1.081 174.323 175.510 -0.175 0.000 0.984 151 N CA -2.182 50.860 53.050 -0.013 0.000 0.935 151 N CB 1.916 40.421 38.487 0.030 0.000 1.122 151 N HN 0.087 nan 8.380 nan 0.000 0.510 152 P HA -0.042 nan 4.420 nan 0.000 0.236 152 P C 0.752 177.692 177.300 -0.599 0.000 1.172 152 P CA 0.657 63.208 63.100 -0.915 0.000 0.759 152 P CB 0.159 31.281 31.700 -0.962 0.000 0.843 153 T N -0.281 114.042 114.554 -0.385 0.000 2.737 153 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 153 T C 1.046 175.502 174.700 -0.406 0.000 1.040 153 T CA 0.896 62.788 62.100 -0.348 0.000 1.142 153 T CB -0.394 68.324 68.868 -0.250 0.000 0.861 153 T HN -0.011 nan 8.240 nan 0.000 0.456 154 V N 3.575 123.260 119.914 -0.382 0.000 2.353 154 V HA 0.149 4.269 4.120 -0.000 0.000 0.264 154 V C 1.319 177.226 176.094 -0.311 0.000 1.049 154 V CA -0.360 61.713 62.300 -0.377 0.000 0.896 154 V CB 1.027 32.617 31.823 -0.388 0.000 1.025 154 V HN 0.339 nan 8.190 nan 0.000 0.475 155 V N 2.472 122.138 119.914 -0.414 0.000 3.235 155 V HA 0.630 4.750 4.120 -0.000 0.000 0.259 155 V C 0.870 176.920 176.094 -0.072 0.000 1.133 155 V CA 1.112 63.175 62.300 -0.395 0.000 1.128 155 V CB -0.519 30.795 31.823 -0.848 0.000 0.757 155 V HN 0.922 nan 8.190 nan 0.000 0.469 156 G N -0.818 107.956 108.800 -0.043 0.000 2.321 156 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 156 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 156 G C -1.932 173.004 174.900 0.059 0.000 1.287 156 G CA -0.757 44.438 45.100 0.158 0.000 0.846 156 G HN 0.064 nan 8.290 nan 0.000 0.508 157 F N 0.386 120.553 119.950 0.362 0.000 2.540 157 F HA 0.483 5.009 4.527 -0.000 0.000 0.317 157 F C -0.401 175.735 175.800 0.560 0.000 1.104 157 F CA -0.863 57.372 58.000 0.391 0.000 0.913 157 F CB 2.463 41.635 39.000 0.288 0.000 1.170 157 F HN 0.301 nan 8.300 nan 0.000 0.450 158 D N 3.895 124.714 120.400 0.698 0.000 2.422 158 D HA 0.188 4.828 4.640 -0.000 0.000 0.227 158 D C 1.243 177.942 176.300 0.666 0.000 1.190 158 D CA 0.248 54.673 54.000 0.709 0.000 0.905 158 D CB 0.539 41.727 40.800 0.648 0.000 1.034 158 D HN 0.532 nan 8.370 nan 0.000 0.507 159 L N 2.478 124.119 121.223 0.697 0.000 2.051 159 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 159 L C 0.735 178.169 176.870 0.939 0.000 1.076 159 L CA 1.305 56.602 54.840 0.761 0.000 0.758 159 L CB -0.386 42.144 42.059 0.784 0.000 0.890 159 L HN 0.544 nan 8.230 nan 0.000 0.433 160 H N -1.624 117.815 119.070 0.614 0.000 3.137 160 H HA 0.256 4.811 4.556 -0.000 0.000 0.336 160 H C -0.658 174.710 175.328 0.068 0.000 1.055 160 H CA -0.957 55.259 56.048 0.280 0.000 1.349 160 H CB 0.795 30.576 29.762 0.030 0.000 1.939 160 H HN -0.054 nan 8.280 nan 0.000 0.487 161 N N 3.425 121.819 118.700 -0.511 0.000 2.475 161 N HA 0.083 4.823 4.740 -0.000 0.000 0.267 161 N C -0.614 174.593 175.510 -0.505 0.000 1.169 161 N CA 0.572 53.364 53.050 -0.431 0.000 0.947 161 N CB 0.354 38.469 38.487 -0.619 0.000 1.061 161 N HN 0.814 nan 8.380 nan 0.000 0.466 162 E N 0.148 120.177 120.200 -0.285 0.000 2.252 162 E HA -0.180 4.170 4.350 -0.000 0.000 0.218 162 E C -2.177 174.425 176.600 0.003 0.000 1.253 162 E CA -0.161 56.165 56.400 -0.124 0.000 0.705 162 E CB -0.966 28.764 29.700 0.051 0.000 1.172 162 E HN 0.599 nan 8.360 nan 0.000 0.369 163 P HA -0.078 nan 4.420 nan 0.000 0.265 163 P C -0.210 177.044 177.300 -0.078 0.000 1.187 163 P CA 1.028 63.999 63.100 -0.215 0.000 0.766 163 P CB 0.468 31.800 31.700 -0.614 0.000 0.820 164 H N -0.703 118.148 119.070 -0.366 0.000 3.054 164 H HA 0.362 4.918 4.556 -0.000 0.000 0.271 164 H C -0.967 174.178 175.328 -0.305 0.000 1.551 164 H CA -0.836 54.976 56.048 -0.393 0.000 1.196 164 H CB -0.222 28.953 29.762 -0.978 0.000 1.867 164 H HN 0.135 nan 8.280 nan 0.000 0.637 165 D N 3.041 123.334 120.400 -0.179 0.000 2.533 165 D HA 0.077 4.717 4.640 -0.000 0.000 0.236 165 D C -1.448 174.687 176.300 -0.276 0.000 1.137 165 D CA -0.611 53.308 54.000 -0.134 0.000 0.867 165 D CB 0.636 41.429 40.800 -0.011 0.000 1.170 165 D HN 0.336 nan 8.370 nan 0.000 0.474 166 P HA 0.209 nan 4.420 nan 0.000 0.241 166 P C -0.511 176.759 177.300 -0.050 0.000 1.783 166 P CA -0.330 62.711 63.100 -0.098 0.000 1.052 166 P CB 0.046 31.694 31.700 -0.088 0.000 1.594 167 A N 0.716 123.496 122.820 -0.067 0.000 2.483 167 A HA 0.337 4.657 4.320 -0.000 0.000 0.238 167 A C 0.749 178.452 177.584 0.199 0.000 1.070 167 A CA -0.059 52.037 52.037 0.099 0.000 0.770 167 A CB -0.262 18.810 19.000 0.120 0.000 1.008 167 A HN 0.602 nan 8.150 nan 0.000 0.497 168 C N 2.074 121.537 119.300 0.272 0.000 2.614 168 C HA 0.827 5.286 4.460 -0.000 0.000 0.320 168 C C -0.489 174.734 174.990 0.388 0.000 1.200 168 C CA -1.115 58.084 59.018 0.303 0.000 1.700 168 C CB 1.167 29.027 27.740 0.201 0.000 2.275 168 C HN 0.889 nan 8.230 nan 0.000 0.492 169 W N 3.668 125.143 121.300 0.291 0.000 2.294 169 W HA 0.489 5.149 4.660 -0.000 0.000 0.314 169 W C 0.927 177.524 176.519 0.130 0.000 1.044 169 W CA 0.661 58.149 57.345 0.239 0.000 1.284 169 W CB 0.972 30.559 29.460 0.213 0.000 1.231 169 W HN 1.618 nan 8.180 nan 0.000 0.419 170 G N 2.995 111.742 108.800 -0.089 0.000 2.155 170 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.257 170 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.257 170 G C 0.965 175.662 174.900 -0.339 0.000 0.983 170 G CA 0.561 45.436 45.100 -0.377 0.000 0.676 170 G HN 1.024 nan 8.290 nan 0.000 0.528 171 C N -1.032 118.208 119.300 -0.101 0.000 2.472 171 C HA 0.515 4.975 4.460 -0.000 0.000 0.278 171 C C 2.613 177.572 174.990 -0.052 0.000 1.447 171 C CA 1.006 59.988 59.018 -0.060 0.000 1.773 171 C CB -0.970 26.783 27.740 0.022 0.000 1.793 171 C HN 2.370 nan 8.230 nan 0.000 0.544 172 G N 0.638 109.403 108.800 -0.059 0.000 2.253 172 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 172 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 172 G C -0.148 174.755 174.900 0.005 0.000 0.998 172 G CA 0.516 45.597 45.100 -0.032 0.000 0.621 172 G HN 0.681 nan 8.290 nan 0.000 0.524 173 D N 1.757 122.174 120.400 0.027 0.000 2.359 173 D HA 0.458 5.098 4.640 -0.000 0.000 0.250 173 D C -0.680 175.675 176.300 0.092 0.000 1.264 173 D CA -2.065 51.966 54.000 0.051 0.000 0.911 173 D CB 1.057 41.890 40.800 0.054 0.000 1.056 173 D HN 0.168 nan 8.370 nan 0.000 0.499 174 P HA -0.102 nan 4.420 nan 0.000 0.228 174 P C 1.058 178.496 177.300 0.231 0.000 1.151 174 P CA 0.711 63.884 63.100 0.123 0.000 0.770 174 P CB 0.148 31.889 31.700 0.068 0.000 0.786 175 S N -0.701 115.110 115.700 0.185 0.000 2.562 175 S HA 0.006 4.476 4.470 -0.000 0.000 0.221 175 S C 1.287 176.049 174.600 0.270 0.000 0.975 175 S CA 0.433 58.753 58.200 0.200 0.000 0.918 175 S CB -0.980 62.278 63.200 0.097 0.000 0.772 175 S HN 0.299 nan 8.310 nan 0.000 0.531 176 I N -3.082 117.693 120.570 0.341 0.000 4.665 176 I HA 0.443 4.613 4.170 -0.000 0.000 0.360 176 I C -0.433 175.977 176.117 0.488 0.000 1.259 176 I CA -0.448 61.048 61.300 0.327 0.000 1.301 176 I CB 0.348 38.419 38.000 0.118 0.000 1.746 176 I HN -0.074 nan 8.210 nan 0.000 0.598 177 D N 2.302 122.957 120.400 0.424 0.000 2.453 177 D HA -0.013 4.627 4.640 -0.000 0.000 0.223 177 D C 0.807 177.134 176.300 0.044 0.000 1.183 177 D CA -0.463 53.647 54.000 0.183 0.000 0.933 177 D CB 0.291 41.113 40.800 0.038 0.000 1.038 177 D HN 0.521 nan 8.370 nan 0.000 0.513 178 W N 5.436 126.673 121.300 -0.105 0.000 2.392 178 W HA -0.167 4.493 4.660 -0.000 0.000 0.279 178 W C 1.542 177.737 176.519 -0.540 0.000 1.225 178 W CA 0.143 57.268 57.345 -0.367 0.000 1.233 178 W CB 0.203 29.649 29.460 -0.024 0.000 1.122 178 W HN 0.359 nan 8.180 nan 0.000 0.561 179 R N 1.293 121.258 120.500 -0.892 0.000 2.081 179 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 179 R C 2.197 178.030 176.300 -0.779 0.000 1.131 179 R CA 1.685 57.022 56.100 -1.272 0.000 0.960 179 R CB -0.992 28.405 30.300 -1.505 0.000 0.856 179 R HN 0.350 nan 8.270 nan 0.000 0.436 180 L N 0.168 121.073 121.223 -0.530 0.000 2.109 180 L HA -0.021 4.318 4.340 -0.000 0.000 0.207 180 L C 2.773 179.385 176.870 -0.430 0.000 1.086 180 L CA 1.071 55.689 54.840 -0.370 0.000 0.760 180 L CB -0.495 41.436 42.059 -0.212 0.000 0.910 180 L HN 0.181 nan 8.230 nan 0.000 0.437 181 A N 0.289 122.739 122.820 -0.615 0.000 1.902 181 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 181 A C 2.570 179.817 177.584 -0.563 0.000 1.181 181 A CA 1.718 53.349 52.037 -0.676 0.000 0.623 181 A CB -0.753 17.346 19.000 -1.502 0.000 0.818 181 A HN 0.372 nan 8.150 nan 0.000 0.443 182 A N 0.150 122.375 122.820 -0.992 0.000 1.892 182 A HA -0.243 4.076 4.320 -0.000 0.000 0.218 182 A C 1.906 179.225 177.584 -0.441 0.000 1.188 182 A CA 1.833 53.340 52.037 -0.883 0.000 0.631 182 A CB -0.687 17.547 19.000 -1.276 0.000 0.822 182 A HN 0.670 nan 8.150 nan 0.000 0.447 183 E N -0.563 119.399 120.200 -0.396 0.000 2.077 183 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 183 E C 2.319 178.791 176.600 -0.213 0.000 0.989 183 E CA 1.159 57.411 56.400 -0.248 0.000 0.800 183 E CB -0.237 29.340 29.700 -0.204 0.000 0.746 183 E HN 0.555 nan 8.360 nan 0.000 0.452 184 R N 0.671 121.039 120.500 -0.219 0.000 2.097 184 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 184 R C 2.474 178.645 176.300 -0.215 0.000 1.135 184 R CA 1.520 57.519 56.100 -0.169 0.000 0.934 184 R CB -0.469 29.762 30.300 -0.115 0.000 0.846 184 R HN 0.151 nan 8.270 nan 0.000 0.431 185 A N 0.560 123.200 122.820 -0.300 0.000 1.858 185 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 185 A C 2.426 179.817 177.584 -0.321 0.000 1.190 185 A CA 1.885 53.636 52.037 -0.477 0.000 0.617 185 A CB -1.458 17.081 19.000 -0.768 0.000 0.827 185 A HN 0.510 nan 8.150 nan 0.000 0.443 186 G N 0.101 108.764 108.800 -0.228 0.000 2.529 186 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 186 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 186 G C 1.397 176.203 174.900 -0.155 0.000 1.177 186 G CA 1.225 46.230 45.100 -0.158 0.000 0.773 186 G HN 0.555 nan 8.290 nan 0.000 0.573 187 N N 1.155 119.764 118.700 -0.153 0.000 2.309 187 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 187 N C 2.459 177.886 175.510 -0.139 0.000 1.018 187 N CA 1.033 54.007 53.050 -0.127 0.000 0.876 187 N CB -0.340 38.081 38.487 -0.109 0.000 0.972 187 N HN 0.351 nan 8.380 nan 0.000 0.434 188 A N 1.005 123.721 122.820 -0.173 0.000 1.877 188 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 188 A C 2.522 179.993 177.584 -0.189 0.000 1.186 188 A CA 1.297 53.227 52.037 -0.177 0.000 0.620 188 A CB -0.849 18.021 19.000 -0.216 0.000 0.822 188 A HN 0.072 nan 8.150 nan 0.000 0.443 189 V N 0.198 119.972 119.914 -0.233 0.000 2.255 189 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 189 V C 2.534 178.528 176.094 -0.166 0.000 1.051 189 V CA 2.185 64.336 62.300 -0.249 0.000 1.018 189 V CB -0.855 30.788 31.823 -0.299 0.000 0.641 189 V HN 0.574 nan 8.190 nan 0.000 0.445 190 L N -0.311 120.833 121.223 -0.133 0.000 2.362 190 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 190 L C 2.439 179.248 176.870 -0.102 0.000 1.134 190 L CA 0.988 55.764 54.840 -0.107 0.000 0.807 190 L CB -0.527 41.477 42.059 -0.092 0.000 0.927 190 L HN 0.238 nan 8.230 nan 0.000 0.447 191 S N -0.906 114.730 115.700 -0.107 0.000 2.474 191 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 191 S C 1.831 176.377 174.600 -0.090 0.000 0.997 191 S CA 0.680 58.825 58.200 -0.092 0.000 0.949 191 S CB 0.113 63.258 63.200 -0.091 0.000 0.766 191 S HN 0.206 nan 8.310 nan 0.000 0.517 192 V N 0.876 120.728 119.914 -0.103 0.000 2.672 192 V HA 0.220 4.340 4.120 -0.000 0.000 0.242 192 V C 0.521 176.563 176.094 -0.086 0.000 1.059 192 V CA 0.554 62.800 62.300 -0.091 0.000 1.081 192 V CB -0.128 31.634 31.823 -0.102 0.000 0.752 192 V HN 0.391 nan 8.190 nan 0.000 0.472 193 N N 0.411 119.050 118.700 -0.101 0.000 2.701 193 N HA 0.222 4.962 4.740 -0.000 0.000 0.258 193 N C -2.499 172.915 175.510 -0.160 0.000 1.262 193 N CA -1.410 51.560 53.050 -0.132 0.000 0.780 193 N CB 1.845 40.266 38.487 -0.110 0.000 1.380 193 N HN 0.018 nan 8.380 nan 0.000 0.548 194 P HA 0.096 nan 4.420 nan 0.000 0.245 194 P C -0.098 177.108 177.300 -0.156 0.000 1.212 194 P CA 0.381 63.403 63.100 -0.129 0.000 0.774 194 P CB 0.365 32.004 31.700 -0.101 0.000 0.999 195 N N -0.350 118.182 118.700 -0.280 0.000 2.280 195 N HA 0.107 4.847 4.740 -0.000 0.000 0.192 195 N C 0.707 176.048 175.510 -0.282 0.000 1.109 195 N CA 0.066 52.918 53.050 -0.331 0.000 0.855 195 N CB 0.364 38.492 38.487 -0.599 0.000 0.974 195 N HN 0.278 nan 8.380 nan 0.000 0.482 196 L N 1.224 122.328 121.223 -0.198 0.000 2.417 196 L HA 0.271 4.611 4.340 -0.000 0.000 0.268 196 L C 0.417 177.296 176.870 0.015 0.000 1.158 196 L CA -0.404 54.428 54.840 -0.013 0.000 0.819 196 L CB 0.926 43.051 42.059 0.111 0.000 1.112 196 L HN -0.166 nan 8.230 nan 0.000 0.458 197 L N 3.427 124.662 121.223 0.020 0.000 2.375 197 L HA 0.342 4.681 4.340 -0.000 0.000 0.271 197 L C -0.398 176.386 176.870 -0.142 0.000 1.107 197 L CA -0.616 54.135 54.840 -0.148 0.000 0.806 197 L CB 1.119 42.972 42.059 -0.343 0.000 1.146 197 L HN 0.352 nan 8.230 nan 0.000 0.447 198 I N 2.939 123.379 120.570 -0.217 0.000 2.354 198 I HA 0.295 4.464 4.170 -0.000 0.000 0.286 198 I C -0.440 175.596 176.117 -0.135 0.000 1.007 198 I CA -0.309 60.961 61.300 -0.050 0.000 1.167 198 I CB 0.663 38.646 38.000 -0.028 0.000 1.320 198 I HN 0.295 nan 8.210 nan 0.000 0.458 199 F N 5.691 125.804 119.950 0.271 0.000 2.404 199 F HA 0.470 4.997 4.527 -0.000 0.000 0.354 199 F C 0.372 176.441 175.800 0.448 0.000 1.122 199 F CA -0.814 57.416 58.000 0.382 0.000 1.080 199 F CB 1.514 40.846 39.000 0.553 0.000 1.131 199 F HN 0.046 nan 8.300 nan 0.000 0.471 200 V N 3.720 123.976 119.914 0.570 0.000 2.409 200 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 200 V C -0.057 176.489 176.094 0.753 0.000 1.020 200 V CA -1.041 61.641 62.300 0.636 0.000 0.848 200 V CB 1.301 33.398 31.823 0.457 0.000 0.990 200 V HN 0.712 nan 8.190 nan 0.000 0.430 201 E N 2.414 123.084 120.200 0.784 0.000 2.322 201 E HA 0.584 4.934 4.350 -0.000 0.000 0.257 201 E C 0.517 177.572 176.600 0.758 0.000 1.155 201 E CA -0.374 56.361 56.400 0.560 0.000 0.936 201 E CB 1.055 30.891 29.700 0.227 0.000 1.130 201 E HN 0.771 nan 8.360 nan 0.000 0.465 202 G N -0.299 108.789 108.800 0.480 0.000 2.537 202 G HA2 0.418 4.378 3.960 -0.000 0.000 0.297 202 G HA3 0.418 4.378 3.960 -0.000 0.000 0.297 202 G C 0.179 175.355 174.900 0.459 0.000 1.310 202 G CA -0.373 45.027 45.100 0.500 0.000 1.027 202 G HN 0.346 nan 8.290 nan 0.000 0.505 203 V N -2.402 117.807 119.914 0.491 0.000 4.219 203 V HA 0.502 4.622 4.120 -0.000 0.000 0.275 203 V C 1.320 177.615 176.094 0.335 0.000 1.240 203 V CA 0.458 62.979 62.300 0.369 0.000 0.821 203 V CB 0.799 32.886 31.823 0.439 0.000 1.250 203 V HN 0.785 nan 8.190 nan 0.000 0.428 204 Q N -0.653 119.333 119.800 0.309 0.000 2.391 204 Q HA 0.320 4.660 4.340 -0.000 0.000 0.243 204 Q C 0.465 176.671 176.000 0.343 0.000 0.874 204 Q CA 0.281 56.299 55.803 0.358 0.000 0.950 204 Q CB 1.105 30.052 28.738 0.348 0.000 1.103 204 Q HN 0.746 nan 8.270 nan 0.000 0.544 205 S N -0.026 115.857 115.700 0.305 0.000 2.526 205 S HA 0.595 5.065 4.470 -0.000 0.000 0.293 205 S C -2.022 172.795 174.600 0.361 0.000 1.092 205 S CA -0.515 57.855 58.200 0.284 0.000 0.980 205 S CB 1.554 64.875 63.200 0.201 0.000 1.048 205 S HN 0.361 nan 8.310 nan 0.000 0.483 206 Y N 2.323 122.719 120.300 0.160 0.000 2.436 206 Y HA 0.317 4.867 4.550 -0.000 0.000 0.327 206 Y C -0.484 175.482 175.900 0.110 0.000 1.138 206 Y CA -0.546 57.645 58.100 0.151 0.000 1.042 206 Y CB 0.813 39.372 38.460 0.165 0.000 1.302 206 Y HN 0.723 nan 8.280 nan 0.000 0.439 207 N N 4.148 122.587 118.700 -0.434 0.000 2.714 207 N HA -0.186 4.554 4.740 -0.000 0.000 0.252 207 N C 0.878 176.343 175.510 -0.075 0.000 1.014 207 N CA 2.130 54.992 53.050 -0.312 0.000 0.735 207 N CB -1.005 37.265 38.487 -0.362 0.000 0.924 207 N HN 1.531 nan 8.380 nan 0.000 0.540 208 G N -1.329 107.459 108.800 -0.021 0.000 2.175 208 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.265 208 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.265 208 G C -0.207 174.730 174.900 0.062 0.000 0.979 208 G CA 0.548 45.662 45.100 0.024 0.000 0.663 208 G HN 0.666 nan 8.290 nan 0.000 0.533 209 D N 0.542 121.000 120.400 0.098 0.000 2.168 209 D HA 0.635 5.275 4.640 -0.000 0.000 0.246 209 D C 0.218 176.630 176.300 0.186 0.000 1.050 209 D CA 0.313 54.391 54.000 0.130 0.000 0.857 209 D CB 1.252 42.125 40.800 0.123 0.000 1.169 209 D HN 0.316 nan 8.370 nan 0.000 0.453 210 S N 2.410 118.226 115.700 0.193 0.000 2.500 210 S HA 0.601 5.071 4.470 -0.000 0.000 0.301 210 S C -0.854 173.939 174.600 0.321 0.000 1.092 210 S CA -0.844 57.498 58.200 0.236 0.000 1.030 210 S CB 1.393 64.695 63.200 0.169 0.000 1.031 210 S HN 0.573 nan 8.310 nan 0.000 0.483 211 Y N 0.462 120.880 120.300 0.197 0.000 2.944 211 Y HA 0.637 5.187 4.550 -0.000 0.000 0.312 211 Y C -1.313 174.730 175.900 0.239 0.000 1.417 211 Y CA -1.917 56.308 58.100 0.209 0.000 1.105 211 Y CB 0.915 39.532 38.460 0.261 0.000 1.364 211 Y HN 0.753 nan 8.280 nan 0.000 0.540 212 W N 2.011 123.115 121.300 -0.325 0.000 2.158 212 W HA 0.114 4.773 4.660 -0.000 0.000 0.339 212 W C -0.820 175.775 176.519 0.127 0.000 1.294 212 W CA -0.313 56.934 57.345 -0.164 0.000 1.231 212 W CB 0.153 29.445 29.460 -0.279 0.000 1.143 212 W HN 0.284 nan 8.180 nan 0.000 0.571 213 W N 1.865 123.282 121.300 0.195 0.000 2.314 213 W HA 0.245 4.905 4.660 -0.000 0.000 0.339 213 W C 1.321 177.837 176.519 -0.005 0.000 1.293 213 W CA 0.357 57.742 57.345 0.067 0.000 1.288 213 W CB -0.907 28.480 29.460 -0.121 0.000 1.186 213 W HN 0.838 nan 8.180 nan 0.000 0.566 214 G N 0.991 109.917 108.800 0.210 0.000 2.189 214 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 214 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 214 G C 1.031 175.986 174.900 0.092 0.000 0.975 214 G CA 0.638 45.732 45.100 -0.009 0.000 0.644 214 G HN 1.061 nan 8.290 nan 0.000 0.537 215 G N -0.605 108.378 108.800 0.305 0.000 2.796 215 G HA2 0.157 4.116 3.960 -0.000 0.000 0.210 215 G HA3 0.157 4.116 3.960 -0.000 0.000 0.210 215 G C 0.594 175.880 174.900 0.643 0.000 1.146 215 G CA 0.563 45.979 45.100 0.527 0.000 0.779 215 G HN 0.482 nan 8.290 nan 0.000 0.535 216 N N 1.116 120.126 118.700 0.516 0.000 2.482 216 N HA 0.239 4.978 4.740 -0.000 0.000 0.242 216 N C 0.315 175.896 175.510 0.118 0.000 1.100 216 N CA -0.108 53.151 53.050 0.349 0.000 0.946 216 N CB 0.811 39.515 38.487 0.360 0.000 1.227 216 N HN 0.040 nan 8.380 nan 0.000 0.508 217 L N 2.923 124.161 121.223 0.026 0.000 2.818 217 L HA 0.176 4.516 4.340 -0.000 0.000 0.243 217 L C 1.873 178.535 176.870 -0.347 0.000 1.185 217 L CA -0.023 54.638 54.840 -0.299 0.000 0.988 217 L CB 0.172 42.086 42.059 -0.242 0.000 1.292 217 L HN 0.426 nan 8.230 nan 0.000 0.519 218 Q N 0.297 119.965 119.800 -0.220 0.000 2.248 218 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 218 Q C 1.992 177.613 176.000 -0.630 0.000 0.984 218 Q CA 1.514 57.172 55.803 -0.242 0.000 0.875 218 Q CB -0.150 28.522 28.738 -0.109 0.000 0.910 218 Q HN 0.627 nan 8.270 nan 0.000 0.433 219 G N -0.483 107.596 108.800 -1.201 0.000 3.042 219 G HA2 0.189 4.149 3.960 -0.000 0.000 0.212 219 G HA3 0.189 4.149 3.960 -0.000 0.000 0.212 219 G C 1.156 175.686 174.900 -0.617 0.000 1.166 219 G CA 0.442 44.855 45.100 -1.145 0.000 0.767 219 G HN 0.331 nan 8.290 nan 0.000 0.546 220 A N 0.708 123.060 122.820 -0.780 0.000 2.014 220 A HA 0.263 4.583 4.320 -0.000 0.000 0.218 220 A C 2.536 180.099 177.584 -0.035 0.000 1.163 220 A CA 1.622 53.380 52.037 -0.464 0.000 0.652 220 A CB -0.534 17.904 19.000 -0.937 0.000 0.808 220 A HN 0.379 nan 8.150 nan 0.000 0.449 221 G N 0.251 109.084 108.800 0.054 0.000 2.459 221 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 221 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 221 G C 1.603 176.513 174.900 0.017 0.000 1.183 221 G CA 1.115 46.282 45.100 0.111 0.000 0.776 221 G HN 0.705 nan 8.290 nan 0.000 0.552 222 Q N -1.121 118.638 119.800 -0.067 0.000 2.163 222 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 222 Q C 0.133 175.936 176.000 -0.329 0.000 0.954 222 Q CA 0.560 56.205 55.803 -0.263 0.000 0.851 222 Q CB 0.163 28.613 28.738 -0.480 0.000 0.928 222 Q HN 0.563 nan 8.270 nan 0.000 0.459 223 Y N 2.375 122.834 120.300 0.265 0.000 2.915 223 Y HA 0.374 4.924 4.550 -0.000 0.000 0.350 223 Y C -2.289 173.903 175.900 0.486 0.000 1.061 223 Y CA -3.134 55.175 58.100 0.348 0.000 1.179 223 Y CB 0.622 39.336 38.460 0.423 0.000 1.180 223 Y HN 0.066 nan 8.280 nan 0.000 0.605 224 P HA 0.092 nan 4.420 nan 0.000 0.274 224 P C -0.148 177.394 177.300 0.404 0.000 1.237 224 P CA -0.130 63.248 63.100 0.464 0.000 0.793 224 P CB 2.094 33.978 31.700 0.306 0.000 0.977 225 V N 2.609 122.809 119.914 0.476 0.000 2.488 225 V HA 0.095 4.215 4.120 -0.000 0.000 0.277 225 V C 0.526 176.683 176.094 0.105 0.000 1.046 225 V CA -0.068 62.351 62.300 0.199 0.000 0.986 225 V CB 1.042 32.956 31.823 0.151 0.000 0.989 225 V HN 0.240 nan 8.190 nan 0.000 0.475 226 V N 7.200 127.137 119.914 0.038 0.000 2.350 226 V HA 0.472 4.592 4.120 -0.000 0.000 0.285 226 V C -0.117 175.962 176.094 -0.025 0.000 1.014 226 V CA -0.426 61.885 62.300 0.018 0.000 0.831 226 V CB 1.331 33.172 31.823 0.030 0.000 1.000 226 V HN 0.622 nan 8.190 nan 0.000 0.433 227 L N 3.264 124.466 121.223 -0.035 0.000 2.334 227 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 227 L C 1.344 178.187 176.870 -0.045 0.000 1.020 227 L CA -0.513 54.294 54.840 -0.054 0.000 0.812 227 L CB 1.357 43.376 42.059 -0.067 0.000 1.264 227 L HN 0.533 nan 8.230 nan 0.000 0.439 228 N N -0.180 118.488 118.700 -0.053 0.000 2.364 228 N HA -0.065 4.674 4.740 -0.000 0.000 0.183 228 N C -0.346 175.137 175.510 -0.044 0.000 1.022 228 N CA 0.568 53.590 53.050 -0.047 0.000 0.883 228 N CB 0.236 38.690 38.487 -0.054 0.000 0.965 228 N HN 0.211 nan 8.380 nan 0.000 0.438 229 V N 2.193 122.078 119.914 -0.048 0.000 2.487 229 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 229 V C -2.264 173.807 176.094 -0.038 0.000 1.028 229 V CA -1.776 60.497 62.300 -0.045 0.000 0.860 229 V CB 1.770 33.561 31.823 -0.054 0.000 0.991 229 V HN -0.066 nan 8.190 nan 0.000 0.427 230 P HA 0.335 nan 4.420 nan 0.000 0.278 230 P C -0.281 177.011 177.300 -0.014 0.000 1.238 230 P CA -0.271 62.817 63.100 -0.020 0.000 0.794 230 P CB 0.149 31.838 31.700 -0.019 0.000 0.955 231 N N 0.820 119.521 118.700 0.002 0.000 2.814 231 N HA -0.137 4.603 4.740 -0.000 0.000 0.247 231 N C 0.261 175.792 175.510 0.034 0.000 1.089 231 N CA 0.168 53.238 53.050 0.034 0.000 0.682 231 N CB -0.848 37.673 38.487 0.056 0.000 0.970 231 N HN 0.419 nan 8.380 nan 0.000 0.554 232 R N -0.702 119.786 120.500 -0.020 0.000 2.582 232 R HA 0.240 4.580 4.340 -0.000 0.000 0.285 232 R C -0.118 176.100 176.300 -0.136 0.000 0.940 232 R CA -0.198 55.868 56.100 -0.057 0.000 1.072 232 R CB 0.310 30.576 30.300 -0.057 0.000 1.527 232 R HN 0.287 nan 8.270 nan 0.000 0.538 233 L N 1.905 123.050 121.223 -0.131 0.000 2.265 233 L HA 0.412 4.752 4.340 -0.000 0.000 0.288 233 L C -0.752 175.989 176.870 -0.214 0.000 1.058 233 L CA -0.404 54.312 54.840 -0.207 0.000 0.809 233 L CB 1.475 43.397 42.059 -0.229 0.000 1.179 233 L HN -0.268 nan 8.230 nan 0.000 0.429 234 V N 6.074 125.843 119.914 -0.242 0.000 2.487 234 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 234 V C -0.509 175.662 176.094 0.129 0.000 1.028 234 V CA -0.583 61.697 62.300 -0.033 0.000 0.860 234 V CB 1.223 33.017 31.823 -0.048 0.000 0.991 234 V HN 0.603 nan 8.190 nan 0.000 0.427 235 Y N 2.103 122.608 120.300 0.342 0.000 2.307 235 Y HA 0.560 5.110 4.550 -0.000 0.000 0.324 235 Y C 0.836 177.010 175.900 0.457 0.000 1.238 235 Y CA 0.338 58.660 58.100 0.370 0.000 1.280 235 Y CB 1.747 40.360 38.460 0.256 0.000 1.248 235 Y HN 0.610 nan 8.280 nan 0.000 0.508 236 S N 1.189 117.245 115.700 0.592 0.000 2.540 236 S HA 0.863 5.333 4.470 -0.000 0.000 0.275 236 S C -1.224 173.484 174.600 0.180 0.000 1.123 236 S CA -0.458 57.981 58.200 0.399 0.000 0.907 236 S CB 0.873 64.354 63.200 0.469 0.000 1.081 236 S HN 0.857 nan 8.310 nan 0.000 0.476 237 A N 3.092 125.865 122.820 -0.079 0.000 2.387 237 A HA 0.858 5.178 4.320 -0.000 0.000 0.303 237 A C -1.127 176.359 177.584 -0.164 0.000 1.145 237 A CA -0.649 51.264 52.037 -0.206 0.000 0.801 237 A CB 1.005 19.596 19.000 -0.682 0.000 1.342 237 A HN 0.962 nan 8.150 nan 0.000 0.440 238 H N -0.734 118.158 119.070 -0.295 0.000 2.690 238 H HA 0.570 5.126 4.556 -0.000 0.000 0.368 238 H C -1.642 173.439 175.328 -0.412 0.000 1.150 238 H CA -0.564 55.253 56.048 -0.385 0.000 1.174 238 H CB 2.284 31.898 29.762 -0.247 0.000 1.684 238 H HN 0.758 nan 8.280 nan 0.000 0.538 239 D N 0.756 120.809 120.400 -0.579 0.000 2.753 239 D HA 0.330 4.970 4.640 -0.000 0.000 0.224 239 D C -1.575 174.107 176.300 -1.029 0.000 1.213 239 D CA -0.231 53.497 54.000 -0.454 0.000 0.833 239 D CB 1.809 42.709 40.800 0.167 0.000 1.607 239 D HN 0.297 nan 8.370 nan 0.000 0.463 240 Y N 0.480 120.134 120.300 -1.078 0.000 2.705 240 Y HA 0.805 5.355 4.550 -0.000 0.000 0.332 240 Y C 0.398 175.811 175.900 -0.811 0.000 1.157 240 Y CA -0.773 56.703 58.100 -1.042 0.000 1.091 240 Y CB 1.466 38.999 38.460 -1.546 0.000 1.301 240 Y HN 0.506 nan 8.280 nan 0.000 0.488 241 A N -0.374 121.816 122.820 -1.050 0.000 3.120 241 A HA 0.499 4.818 4.320 -0.000 0.000 0.213 241 A C 0.944 178.081 177.584 -0.744 0.000 1.202 241 A CA 0.213 51.548 52.037 -1.170 0.000 0.876 241 A CB -0.169 17.868 19.000 -1.604 0.000 1.456 241 A HN 0.832 nan 8.150 nan 0.000 0.530 242 T N -1.964 112.095 114.554 -0.824 0.000 3.043 242 T HA -0.077 4.273 4.350 -0.000 0.000 0.263 242 T C 1.783 176.291 174.700 -0.321 0.000 1.094 242 T CA 1.757 63.546 62.100 -0.518 0.000 1.127 242 T CB -0.777 67.780 68.868 -0.518 0.000 0.905 242 T HN 1.121 nan 8.240 nan 0.000 0.490 243 S N 1.320 116.831 115.700 -0.314 0.000 2.402 243 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 243 S C 1.918 176.367 174.600 -0.251 0.000 1.030 243 S CA 1.146 59.206 58.200 -0.234 0.000 1.003 243 S CB -1.035 62.049 63.200 -0.195 0.000 0.813 243 S HN 0.406 nan 8.310 nan 0.000 0.477 244 V N 1.007 120.726 119.914 -0.326 0.000 2.446 244 V HA 0.435 4.555 4.120 -0.000 0.000 0.244 244 V C 1.397 177.361 176.094 -0.217 0.000 1.039 244 V CA 1.072 63.140 62.300 -0.387 0.000 1.045 244 V CB -0.630 30.771 31.823 -0.703 0.000 0.681 244 V HN 0.885 nan 8.190 nan 0.000 0.459 245 G N -0.184 108.563 108.800 -0.089 0.000 2.340 245 G HA2 0.344 4.304 3.960 -0.000 0.000 0.298 245 G HA3 0.344 4.304 3.960 -0.000 0.000 0.298 245 G C -3.419 171.516 174.900 0.059 0.000 1.498 245 G CA -0.692 44.406 45.100 -0.003 0.000 0.847 245 G HN -0.051 nan 8.290 nan 0.000 0.594 246 P HA 0.363 nan 4.420 nan 0.000 0.281 246 P C -1.109 176.021 177.300 -0.284 0.000 1.252 246 P CA 0.049 63.069 63.100 -0.133 0.000 0.778 246 P CB 1.515 33.128 31.700 -0.146 0.000 0.895 247 Q N 1.151 120.741 119.800 -0.351 0.000 2.389 247 Q HA 0.213 4.553 4.340 -0.000 0.000 0.277 247 Q C 1.308 176.782 176.000 -0.877 0.000 1.082 247 Q CA -0.457 54.783 55.803 -0.938 0.000 0.810 247 Q CB 1.888 29.480 28.738 -1.910 0.000 1.374 247 Q HN 0.455 nan 8.270 nan 0.000 0.422 248 T N -1.802 112.323 114.554 -0.715 0.000 2.653 248 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 248 T C 1.423 175.941 174.700 -0.304 0.000 1.035 248 T CA 2.286 64.172 62.100 -0.356 0.000 1.154 248 T CB -0.473 68.308 68.868 -0.147 0.000 0.862 248 T HN 0.804 nan 8.240 nan 0.000 0.441 249 W N 0.770 121.904 121.300 -0.277 0.000 2.699 249 W HA 0.376 5.036 4.660 -0.000 0.000 0.249 249 W C 1.309 177.615 176.519 -0.355 0.000 1.280 249 W CA -0.773 56.401 57.345 -0.284 0.000 1.345 249 W CB -1.258 28.011 29.460 -0.318 0.000 1.128 249 W HN 0.160 nan 8.180 nan 0.000 0.642 250 F N 0.885 120.624 119.950 -0.351 0.000 2.558 250 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 250 F C 2.140 177.691 175.800 -0.415 0.000 1.119 250 F CA 1.121 58.781 58.000 -0.568 0.000 1.451 250 F CB -0.252 38.425 39.000 -0.539 0.000 1.091 250 F HN -0.163 nan 8.300 nan 0.000 0.563 251 S N -1.621 114.021 115.700 -0.098 0.000 2.524 251 S HA -0.065 4.405 4.470 -0.000 0.000 0.216 251 S C 0.485 175.091 174.600 0.010 0.000 0.987 251 S CA -0.175 57.997 58.200 -0.047 0.000 0.909 251 S CB -0.259 62.906 63.200 -0.060 0.000 0.781 251 S HN 0.212 nan 8.310 nan 0.000 0.521 252 D N 2.877 123.306 120.400 0.048 0.000 2.458 252 D HA 0.028 4.668 4.640 -0.000 0.000 0.243 252 D C -1.593 174.791 176.300 0.140 0.000 1.146 252 D CA -1.410 52.649 54.000 0.098 0.000 0.877 252 D CB 1.335 42.217 40.800 0.136 0.000 1.176 252 D HN 0.064 nan 8.370 nan 0.000 0.461 253 P HA -0.107 nan 4.420 nan 0.000 0.225 253 P C 0.977 178.353 177.300 0.126 0.000 1.148 253 P CA 0.985 64.147 63.100 0.104 0.000 0.779 253 P CB -0.030 31.709 31.700 0.066 0.000 0.780 254 T N -4.214 110.417 114.554 0.128 0.000 3.186 254 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 254 T C 0.140 174.919 174.700 0.132 0.000 1.029 254 T CA -0.852 61.309 62.100 0.102 0.000 0.916 254 T CB -1.226 67.674 68.868 0.053 0.000 1.041 254 T HN -0.157 nan 8.240 nan 0.000 0.562 255 F N 3.830 123.818 119.950 0.063 0.000 2.572 255 F HA 0.370 4.896 4.527 -0.000 0.000 0.370 255 F C -1.695 174.166 175.800 0.101 0.000 1.103 255 F CA -1.845 56.211 58.000 0.094 0.000 1.286 255 F CB 1.214 40.312 39.000 0.164 0.000 1.105 255 F HN 0.037 nan 8.300 nan 0.000 0.583 256 P HA 0.215 nan 4.420 nan 0.000 0.248 256 P C -0.491 176.558 177.300 -0.419 0.000 1.708 256 P CA 0.106 62.558 63.100 -1.080 0.000 1.062 256 P CB -0.165 30.773 31.700 -1.270 0.000 1.562 257 N N 1.550 120.126 118.700 -0.206 0.000 2.244 257 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 257 N C 1.585 177.000 175.510 -0.159 0.000 1.016 257 N CA 1.063 54.032 53.050 -0.135 0.000 0.866 257 N CB -0.386 38.064 38.487 -0.062 0.000 0.980 257 N HN 0.224 nan 8.380 nan 0.000 0.430 258 N N 1.179 119.797 118.700 -0.137 0.000 2.223 258 N HA -0.155 4.584 4.740 -0.000 0.000 0.185 258 N C 1.293 176.572 175.510 -0.384 0.000 1.016 258 N CA 1.100 54.047 53.050 -0.171 0.000 0.863 258 N CB -0.375 38.083 38.487 -0.048 0.000 0.983 258 N HN 0.140 nan 8.380 nan 0.000 0.429 259 M N 0.956 120.235 119.600 -0.535 0.000 2.082 259 M HA -0.060 4.420 4.480 -0.000 0.000 0.258 259 M C -0.586 174.902 176.300 -1.352 0.000 1.071 259 M CA 1.296 55.919 55.300 -1.130 0.000 1.103 259 M CB -2.402 29.400 32.600 -1.330 0.000 1.307 259 M HN 0.104 nan 8.290 nan 0.000 0.409 260 P HA -0.058 nan 4.420 nan 0.000 0.219 260 P C 1.512 178.641 177.300 -0.285 0.000 1.146 260 P CA 1.740 64.634 63.100 -0.343 0.000 0.808 260 P CB -0.421 31.327 31.700 0.079 0.000 0.779 261 G N 0.152 108.757 108.800 -0.326 0.000 2.433 261 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 261 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 261 G C 1.495 176.178 174.900 -0.362 0.000 1.186 261 G CA 0.704 45.647 45.100 -0.262 0.000 0.779 261 G HN 0.228 nan 8.290 nan 0.000 0.543 262 I N -0.513 119.728 120.570 -0.549 0.000 2.208 262 I HA -0.172 3.997 4.170 -0.000 0.000 0.245 262 I C 2.690 178.448 176.117 -0.599 0.000 1.097 262 I CA 0.919 61.840 61.300 -0.633 0.000 1.363 262 I CB -0.233 37.201 38.000 -0.943 0.000 1.051 262 I HN 0.202 nan 8.210 nan 0.000 0.413 263 W N 1.067 121.944 121.300 -0.705 0.000 2.355 263 W HA -0.135 4.525 4.660 -0.000 0.000 0.309 263 W C 2.571 178.428 176.519 -1.103 0.000 1.206 263 W CA 0.737 57.383 57.345 -1.165 0.000 1.284 263 W CB -1.571 26.927 29.460 -1.604 0.000 1.145 263 W HN 0.204 nan 8.180 nan 0.000 0.502 264 N N 0.698 119.188 118.700 -0.350 0.000 2.120 264 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 264 N C 1.680 177.134 175.510 -0.093 0.000 1.024 264 N CA 1.764 54.743 53.050 -0.118 0.000 0.852 264 N CB -0.556 37.949 38.487 0.030 0.000 1.003 264 N HN 0.197 nan 8.380 nan 0.000 0.424 265 K N 0.996 121.287 120.400 -0.182 0.000 2.032 265 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 265 K C 1.526 178.080 176.600 -0.077 0.000 1.048 265 K CA 1.314 57.520 56.287 -0.135 0.000 0.927 265 K CB 0.037 32.426 32.500 -0.184 0.000 0.712 265 K HN 0.086 nan 8.250 nan 0.000 0.441 266 N N -0.922 117.629 118.700 -0.249 0.000 2.333 266 N HA -0.041 4.699 4.740 -0.000 0.000 0.178 266 N C 0.959 176.537 175.510 0.113 0.000 1.018 266 N CA 1.531 54.480 53.050 -0.167 0.000 0.882 266 N CB 0.276 38.404 38.487 -0.598 0.000 0.984 266 N HN 0.595 nan 8.380 nan 0.000 0.434 267 W N -2.279 119.019 121.300 -0.003 0.000 2.948 267 W HA 0.364 5.024 4.660 -0.000 0.000 0.171 267 W C 1.455 177.998 176.519 0.039 0.000 0.925 267 W CA 0.283 57.608 57.345 -0.033 0.000 1.263 267 W CB -0.779 28.691 29.460 0.016 0.000 0.657 267 W HN -0.183 nan 8.180 nan 0.000 0.809 268 G N 3.358 112.048 108.800 -0.184 0.000 2.556 268 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.220 268 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.220 268 G C 1.438 176.502 174.900 0.275 0.000 1.156 268 G CA 2.900 48.088 45.100 0.147 0.000 0.766 268 G HN 0.489 nan 8.290 nan 0.000 0.583 269 Y N 0.778 121.145 120.300 0.112 0.000 2.181 269 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 269 Y C 2.310 178.283 175.900 0.122 0.000 1.179 269 Y CA 1.470 59.620 58.100 0.082 0.000 1.179 269 Y CB -0.724 37.736 38.460 0.001 0.000 0.973 269 Y HN 0.158 nan 8.280 nan 0.000 0.519 270 L N -1.197 119.719 121.223 -0.512 0.000 2.201 270 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 270 L C 2.335 179.235 176.870 0.049 0.000 1.105 270 L CA 1.404 56.055 54.840 -0.315 0.000 0.775 270 L CB -0.595 41.241 42.059 -0.372 0.000 0.913 270 L HN 0.358 nan 8.230 nan 0.000 0.440 271 F N 0.813 120.772 119.950 0.015 0.000 2.147 271 F HA -0.058 4.469 4.527 -0.000 0.000 0.291 271 F C 2.381 178.142 175.800 -0.065 0.000 1.093 271 F CA 1.123 59.094 58.000 -0.049 0.000 1.263 271 F CB -0.245 38.633 39.000 -0.204 0.000 1.036 271 F HN 0.021 nan 8.300 nan 0.000 0.481 272 N N 0.632 119.365 118.700 0.055 0.000 2.061 272 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 272 N C 1.521 176.978 175.510 -0.089 0.000 1.030 272 N CA 1.667 54.687 53.050 -0.049 0.000 0.856 272 N CB -0.808 37.739 38.487 0.099 0.000 1.023 272 N HN 0.451 nan 8.380 nan 0.000 0.424 273 Q N 0.452 120.252 119.800 0.001 0.000 2.431 273 Q HA 0.122 4.462 4.340 -0.000 0.000 0.210 273 Q C -0.445 175.528 176.000 -0.045 0.000 0.958 273 Q CA -0.131 55.675 55.803 0.006 0.000 0.957 273 Q CB -0.375 28.421 28.738 0.097 0.000 1.007 273 Q HN 0.318 nan 8.270 nan 0.000 0.511 274 N N -1.208 117.408 118.700 -0.141 0.000 2.721 274 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 274 N C -0.044 175.441 175.510 -0.042 0.000 1.072 274 N CA 0.258 53.218 53.050 -0.150 0.000 0.710 274 N CB -0.657 37.750 38.487 -0.133 0.000 0.993 274 N HN 0.328 nan 8.380 nan 0.000 0.547 275 I N -0.922 119.656 120.570 0.013 0.000 2.480 275 I HA 0.191 4.361 4.170 -0.000 0.000 0.251 275 I C 1.039 177.228 176.117 0.120 0.000 1.124 275 I CA 1.200 62.546 61.300 0.076 0.000 1.444 275 I CB 0.127 38.191 38.000 0.106 0.000 1.098 275 I HN 0.366 nan 8.210 nan 0.000 0.428 276 A N -0.536 122.372 122.820 0.146 0.000 2.597 276 A HA 0.619 4.939 4.320 -0.000 0.000 0.292 276 A C -2.833 174.894 177.584 0.238 0.000 1.057 276 A CA -1.021 51.133 52.037 0.196 0.000 0.674 276 A CB 0.369 19.559 19.000 0.316 0.000 1.278 276 A HN -0.236 nan 8.150 nan 0.000 0.416 277 P HA 0.451 nan 4.420 nan 0.000 0.275 277 P C -0.748 176.789 177.300 0.396 0.000 1.228 277 P CA -0.148 63.125 63.100 0.289 0.000 0.786 277 P CB 0.904 32.732 31.700 0.214 0.000 0.927 278 V N 2.759 122.950 119.914 0.461 0.000 2.540 278 V HA 0.407 4.527 4.120 -0.000 0.000 0.302 278 V C -1.070 175.408 176.094 0.640 0.000 1.035 278 V CA -0.383 62.268 62.300 0.585 0.000 0.873 278 V CB 1.864 34.127 31.823 0.733 0.000 0.992 278 V HN 0.598 nan 8.190 nan 0.000 0.428 279 W N 6.434 127.952 121.300 0.364 0.000 2.411 279 W HA 0.635 5.294 4.660 -0.000 0.000 0.317 279 W C -1.091 175.499 176.519 0.119 0.000 1.030 279 W CA -1.575 55.941 57.345 0.285 0.000 1.239 279 W CB 1.601 31.266 29.460 0.342 0.000 1.304 279 W HN 0.448 nan 8.180 nan 0.000 0.437 280 L N 7.451 128.640 121.223 -0.056 0.000 2.375 280 L HA 0.392 4.731 4.340 -0.000 0.000 0.276 280 L C 1.366 177.926 176.870 -0.517 0.000 1.162 280 L CA 0.545 55.115 54.840 -0.449 0.000 0.991 280 L CB 0.303 41.986 42.059 -0.625 0.000 1.315 280 L HN 0.780 nan 8.230 nan 0.000 0.431 281 G N 3.268 111.434 108.800 -1.056 0.000 2.484 281 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 281 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 281 G C 0.392 174.938 174.900 -0.589 0.000 1.130 281 G CA 0.183 44.385 45.100 -1.496 0.000 0.784 281 G HN 0.552 nan 8.290 nan 0.000 0.543 282 E N -1.022 118.823 120.200 -0.591 0.000 2.343 282 E HA 0.503 4.853 4.350 -0.000 0.000 0.286 282 E C -1.698 174.681 176.600 -0.369 0.000 0.915 282 E CA -0.957 55.149 56.400 -0.491 0.000 0.784 282 E CB 1.408 30.486 29.700 -1.037 0.000 1.251 282 E HN 0.154 nan 8.360 nan 0.000 0.407 283 F N 1.247 120.949 119.950 -0.413 0.000 2.725 283 F HA 0.787 5.313 4.527 -0.000 0.000 0.311 283 F C -0.707 174.942 175.800 -0.253 0.000 1.121 283 F CA -0.188 57.538 58.000 -0.457 0.000 0.978 283 F CB 1.086 39.911 39.000 -0.291 0.000 1.274 283 F HN 0.599 nan 8.300 nan 0.000 0.440 284 G N 0.409 109.213 108.800 0.006 0.000 2.349 284 G HA2 0.634 4.594 3.960 -0.000 0.000 0.294 284 G HA3 0.634 4.594 3.960 -0.000 0.000 0.294 284 G C -1.752 173.254 174.900 0.178 0.000 1.380 284 G CA -0.196 44.755 45.100 -0.249 0.000 0.811 284 G HN 1.564 nan 8.290 nan 0.000 0.519 285 T N -2.432 112.215 114.554 0.156 0.000 2.893 285 T HA 0.493 4.843 4.350 -0.000 0.000 0.337 285 T C 1.290 176.027 174.700 0.062 0.000 1.587 285 T CA 1.213 63.353 62.100 0.068 0.000 1.066 285 T CB 0.969 69.884 68.868 0.079 0.000 1.414 285 T HN 1.766 nan 8.240 nan 0.000 0.488 286 T N 1.564 116.113 114.554 -0.008 0.000 3.051 286 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 286 T C 1.709 176.405 174.700 -0.006 0.000 1.127 286 T CA 1.007 63.103 62.100 -0.008 0.000 1.107 286 T CB -0.730 68.117 68.868 -0.035 0.000 0.898 286 T HN 0.942 nan 8.240 nan 0.000 0.517 287 L N -0.706 120.517 121.223 -0.001 0.000 4.232 287 L HA -0.280 4.060 4.340 -0.000 0.000 0.415 287 L C 1.589 178.462 176.870 0.004 0.000 1.168 287 L CA 0.781 55.615 54.840 -0.009 0.000 0.966 287 L CB -1.730 40.287 42.059 -0.070 0.000 2.052 287 L HN 0.404 nan 8.230 nan 0.000 0.887 288 Q N -0.293 119.500 119.800 -0.011 0.000 2.245 288 Q HA -0.000 4.339 4.340 -0.000 0.000 0.201 288 Q C 1.131 177.131 176.000 0.000 0.000 0.955 288 Q CA 1.210 57.007 55.803 -0.009 0.000 0.870 288 Q CB 0.336 29.058 28.738 -0.027 0.000 0.945 288 Q HN 0.684 nan 8.270 nan 0.000 0.461 289 S N -1.329 114.368 115.700 -0.005 0.000 2.593 289 S HA 0.192 4.662 4.470 -0.000 0.000 0.297 289 S C 1.092 175.727 174.600 0.058 0.000 1.112 289 S CA -0.242 57.961 58.200 0.005 0.000 1.043 289 S CB 1.664 64.838 63.200 -0.043 0.000 1.054 289 S HN 0.235 nan 8.310 nan 0.000 0.516 290 T N 0.276 114.875 114.554 0.076 0.000 2.720 290 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 290 T C 1.756 176.570 174.700 0.190 0.000 1.037 290 T CA 2.016 64.195 62.100 0.131 0.000 1.144 290 T CB -1.541 67.399 68.868 0.120 0.000 0.864 290 T HN 0.683 nan 8.240 nan 0.000 0.444 291 T N 2.131 116.771 114.554 0.144 0.000 2.684 291 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 291 T C 1.717 176.587 174.700 0.283 0.000 1.036 291 T CA 1.754 63.975 62.100 0.202 0.000 1.148 291 T CB -0.722 68.117 68.868 -0.048 0.000 0.863 291 T HN 0.413 nan 8.240 nan 0.000 0.436 292 D N 1.029 121.502 120.400 0.121 0.000 2.144 292 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 292 D C 2.396 178.947 176.300 0.419 0.000 0.984 292 D CA 1.005 55.121 54.000 0.194 0.000 0.834 292 D CB -0.296 40.516 40.800 0.020 0.000 0.955 292 D HN 0.470 nan 8.370 nan 0.000 0.465 293 Q N -0.476 119.501 119.800 0.295 0.000 2.167 293 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 293 Q C 1.979 178.225 176.000 0.410 0.000 0.970 293 Q CA 1.301 57.294 55.803 0.317 0.000 0.855 293 Q CB 0.028 28.939 28.738 0.288 0.000 0.911 293 Q HN 0.231 nan 8.270 nan 0.000 0.438 294 T N -0.072 114.733 114.554 0.418 0.000 2.770 294 T HA -0.174 4.176 4.350 -0.000 0.000 0.263 294 T C 1.004 175.958 174.700 0.423 0.000 1.039 294 T CA 0.985 63.308 62.100 0.371 0.000 1.142 294 T CB -0.445 68.636 68.868 0.355 0.000 0.868 294 T HN 0.482 nan 8.240 nan 0.000 0.435 295 W N 1.984 123.552 121.300 0.447 0.000 2.289 295 W HA -0.261 4.399 4.660 -0.000 0.000 0.331 295 W C 1.951 178.722 176.519 0.419 0.000 1.283 295 W CA 1.214 58.888 57.345 0.547 0.000 1.252 295 W CB -1.001 28.836 29.460 0.628 0.000 1.153 295 W HN 0.134 nan 8.180 nan 0.000 0.467 296 L N 1.590 122.968 121.223 0.259 0.000 2.012 296 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 296 L C 2.593 179.496 176.870 0.055 0.000 1.073 296 L CA 2.545 57.331 54.840 -0.090 0.000 0.748 296 L CB -1.408 40.705 42.059 0.089 0.000 0.891 296 L HN 0.077 nan 8.230 nan 0.000 0.431 297 K N -1.487 119.069 120.400 0.260 0.000 2.034 297 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 297 K C 1.871 178.526 176.600 0.092 0.000 1.051 297 K CA 2.426 58.827 56.287 0.191 0.000 0.931 297 K CB -0.341 32.274 32.500 0.192 0.000 0.715 297 K HN 0.461 nan 8.250 nan 0.000 0.446 298 T N 1.824 116.447 114.554 0.116 0.000 2.622 298 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 298 T C 1.692 176.490 174.700 0.163 0.000 1.047 298 T CA 1.379 63.571 62.100 0.154 0.000 1.159 298 T CB -0.426 68.556 68.868 0.191 0.000 0.863 298 T HN 0.109 nan 8.240 nan 0.000 0.422 299 L N 1.448 122.673 121.223 0.004 0.000 2.034 299 L HA -0.146 4.193 4.340 -0.000 0.000 0.217 299 L C 2.498 179.166 176.870 -0.337 0.000 1.077 299 L CA 1.625 56.162 54.840 -0.504 0.000 0.769 299 L CB -0.960 40.506 42.059 -0.988 0.000 0.890 299 L HN 0.132 nan 8.230 nan 0.000 0.435 300 V N -0.854 118.927 119.914 -0.222 0.000 2.343 300 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 300 V C 2.667 178.716 176.094 -0.075 0.000 1.051 300 V CA 1.712 63.904 62.300 -0.179 0.000 1.036 300 V CB -0.674 31.086 31.823 -0.105 0.000 0.654 300 V HN 0.507 nan 8.190 nan 0.000 0.451 301 Q N -0.811 118.993 119.800 0.006 0.000 2.061 301 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 301 Q C 2.107 178.161 176.000 0.090 0.000 0.984 301 Q CA 2.133 57.975 55.803 0.065 0.000 0.846 301 Q CB -0.758 28.035 28.738 0.092 0.000 0.902 301 Q HN 0.786 nan 8.270 nan 0.000 0.421 302 Y N 0.770 121.062 120.300 -0.014 0.000 2.193 302 Y HA -0.205 4.345 4.550 -0.000 0.000 0.285 302 Y C 1.837 177.703 175.900 -0.057 0.000 1.166 302 Y CA 1.284 59.378 58.100 -0.011 0.000 1.181 302 Y CB -0.123 38.337 38.460 0.000 0.000 0.976 302 Y HN 0.066 nan 8.280 nan 0.000 0.520 303 L N 0.254 121.485 121.223 0.013 0.000 2.610 303 L HA -0.013 4.327 4.340 -0.000 0.000 0.232 303 L C 0.044 176.977 176.870 0.106 0.000 1.149 303 L CA 0.503 55.375 54.840 0.053 0.000 0.872 303 L CB -0.324 41.661 42.059 -0.124 0.000 0.992 303 L HN 0.163 nan 8.230 nan 0.000 0.447 304 R N -1.531 118.977 120.500 0.013 0.000 1.688 304 R HA -0.092 4.248 4.340 -0.000 0.000 0.399 304 R C -2.567 173.858 176.300 0.208 0.000 1.219 304 R CA -0.462 55.638 56.100 -0.000 0.000 0.891 304 R CB -1.375 28.724 30.300 -0.333 0.000 2.839 304 R HN -0.033 nan 8.270 nan 0.000 0.493 305 P HA -0.013 nan 4.420 nan 0.000 0.266 305 P C 0.635 178.070 177.300 0.225 0.000 1.195 305 P CA 0.070 63.285 63.100 0.193 0.000 0.768 305 P CB 0.691 32.469 31.700 0.131 0.000 0.838 306 T N 1.452 116.100 114.554 0.156 0.000 2.833 306 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 306 T C 1.728 176.475 174.700 0.078 0.000 1.054 306 T CA 1.767 63.948 62.100 0.136 0.000 1.135 306 T CB -0.423 68.512 68.868 0.112 0.000 0.869 306 T HN 0.438 nan 8.240 nan 0.000 0.466 307 A N 1.109 123.953 122.820 0.040 0.000 1.873 307 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 307 A C 2.373 179.918 177.584 -0.065 0.000 1.186 307 A CA 1.030 53.061 52.037 -0.011 0.000 0.616 307 A CB -0.503 18.485 19.000 -0.020 0.000 0.823 307 A HN 0.277 nan 8.150 nan 0.000 0.442 308 Q N -1.689 118.035 119.800 -0.128 0.000 2.123 308 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 308 Q C 0.621 176.363 176.000 -0.430 0.000 0.966 308 Q CA 1.469 57.039 55.803 -0.389 0.000 0.845 308 Q CB 0.020 28.337 28.738 -0.702 0.000 0.907 308 Q HN 0.858 nan 8.270 nan 0.000 0.439 309 Y N -1.993 118.326 120.300 0.031 0.000 2.563 309 Y HA 0.310 4.860 4.550 -0.000 0.000 0.250 309 Y C 1.190 177.115 175.900 0.040 0.000 1.126 309 Y CA 0.049 58.172 58.100 0.039 0.000 1.231 309 Y CB 0.592 39.086 38.460 0.058 0.000 1.288 309 Y HN 0.148 nan 8.280 nan 0.000 0.537 310 G N 1.794 110.690 108.800 0.161 0.000 2.566 310 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.280 310 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.280 310 G C 1.174 176.146 174.900 0.119 0.000 1.225 310 G CA 0.388 45.551 45.100 0.105 0.000 0.966 310 G HN 0.652 nan 8.290 nan 0.000 0.560 311 A N -0.375 122.491 122.820 0.077 0.000 2.238 311 A HA 0.401 4.721 4.320 -0.000 0.000 0.208 311 A C 1.231 178.868 177.584 0.089 0.000 1.177 311 A CA 1.642 53.717 52.037 0.064 0.000 0.804 311 A CB -0.130 18.874 19.000 0.007 0.000 0.823 311 A HN 0.818 nan 8.150 nan 0.000 0.482 312 D N 1.014 121.487 120.400 0.121 0.000 2.619 312 D HA 0.379 5.019 4.640 -0.000 0.000 0.224 312 D C 0.121 176.555 176.300 0.222 0.000 1.133 312 D CA 0.642 54.734 54.000 0.152 0.000 1.017 312 D CB -0.199 40.671 40.800 0.116 0.000 1.077 312 D HN 0.341 nan 8.370 nan 0.000 0.503 313 S N -0.063 115.731 115.700 0.157 0.000 2.703 313 S HA 0.453 4.922 4.470 -0.000 0.000 0.273 313 S C -0.579 173.803 174.600 -0.363 0.000 1.178 313 S CA -1.053 57.075 58.200 -0.119 0.000 0.838 313 S CB 0.217 63.445 63.200 0.048 0.000 1.178 313 S HN 0.067 nan 8.310 nan 0.000 0.494 314 F N 2.393 122.158 119.950 -0.308 0.000 2.443 314 F HA 0.349 4.876 4.527 -0.000 0.000 0.353 314 F C 1.236 177.152 175.800 0.194 0.000 1.101 314 F CA -0.187 57.723 58.000 -0.151 0.000 1.226 314 F CB 0.785 39.706 39.000 -0.132 0.000 1.140 314 F HN 0.365 nan 8.300 nan 0.000 0.557 315 Q N 4.734 124.800 119.800 0.444 0.000 2.373 315 Q HA 0.145 4.485 4.340 -0.000 0.000 0.255 315 Q C -0.407 176.036 176.000 0.737 0.000 0.980 315 Q CA -0.009 56.079 55.803 0.474 0.000 0.882 315 Q CB 1.218 30.190 28.738 0.391 0.000 1.249 315 Q HN 0.790 nan 8.270 nan 0.000 0.438 316 W N -0.515 121.104 121.300 0.532 0.000 3.146 316 W HA 0.561 5.220 4.660 -0.000 0.000 0.319 316 W C -1.532 175.382 176.519 0.658 0.000 1.258 316 W CA -0.979 56.707 57.345 0.570 0.000 1.189 316 W CB 0.838 30.525 29.460 0.379 0.000 1.412 316 W HN 0.549 nan 8.180 nan 0.000 0.567 317 T N 0.025 115.106 114.554 0.878 0.000 3.293 317 T HA 0.411 4.761 4.350 -0.000 0.000 0.320 317 T C -1.459 173.616 174.700 0.626 0.000 0.995 317 T CA -0.336 62.137 62.100 0.622 0.000 1.041 317 T CB 1.658 70.859 68.868 0.556 0.000 1.058 317 T HN 0.416 nan 8.240 nan 0.000 0.453 318 F N 3.415 123.584 119.950 0.366 0.000 2.382 318 F HA 0.657 5.184 4.527 -0.000 0.000 0.331 318 F C -0.238 175.579 175.800 0.028 0.000 1.121 318 F CA -0.777 57.163 58.000 -0.101 0.000 1.183 318 F CB 0.828 39.794 39.000 -0.057 0.000 1.207 318 F HN 0.733 nan 8.300 nan 0.000 0.555 319 W N 6.652 127.385 121.300 -0.945 0.000 2.362 319 W HA 0.509 5.169 4.660 -0.000 0.000 0.316 319 W C -1.428 174.694 176.519 -0.662 0.000 1.024 319 W CA -0.500 56.535 57.345 -0.517 0.000 1.270 319 W CB 1.275 30.543 29.460 -0.320 0.000 1.273 319 W HN 0.709 nan 8.180 nan 0.000 0.424 320 S N 4.106 119.605 115.700 -0.335 0.000 2.671 320 S HA 0.304 4.774 4.470 -0.000 0.000 0.277 320 S C 0.335 174.867 174.600 -0.113 0.000 1.165 320 S CA -0.823 57.149 58.200 -0.380 0.000 0.822 320 S CB 1.735 64.366 63.200 -0.948 0.000 1.150 320 S HN 0.702 nan 8.310 nan 0.000 0.479 321 W N 1.974 123.067 121.300 -0.344 0.000 2.332 321 W HA -0.096 4.563 4.660 -0.000 0.000 0.321 321 W C -0.282 175.965 176.519 -0.453 0.000 1.219 321 W CA 1.494 58.605 57.345 -0.388 0.000 1.277 321 W CB -0.572 28.609 29.460 -0.465 0.000 1.161 321 W HN 0.725 nan 8.180 nan 0.000 0.476 322 N N 1.981 120.384 118.700 -0.496 0.000 2.292 322 N HA -0.094 4.646 4.740 -0.000 0.000 0.258 322 N C -1.568 173.573 175.510 -0.615 0.000 1.261 322 N CA 0.121 52.730 53.050 -0.735 0.000 0.845 322 N CB 0.040 38.001 38.487 -0.877 0.000 1.064 322 N HN 0.124 nan 8.380 nan 0.000 0.471 323 P HA -0.051 nan 4.420 nan 0.000 0.231 323 P C -0.366 176.818 177.300 -0.194 0.000 1.168 323 P CA 0.773 63.570 63.100 -0.505 0.000 0.779 323 P CB 0.171 31.462 31.700 -0.681 0.000 0.844 324 D N 0.162 120.518 120.400 -0.073 0.000 3.085 324 D HA 0.076 4.716 4.640 -0.000 0.000 0.243 324 D C -0.632 175.895 176.300 0.378 0.000 1.232 324 D CA -0.416 53.715 54.000 0.217 0.000 0.913 324 D CB -0.753 40.310 40.800 0.438 0.000 1.108 324 D HN -0.063 nan 8.370 nan 0.000 0.468 325 S N -0.520 115.342 115.700 0.270 0.000 2.669 325 S HA 0.527 4.997 4.470 -0.000 0.000 0.315 325 S C 1.413 176.077 174.600 0.107 0.000 1.106 325 S CA -0.696 57.661 58.200 0.262 0.000 1.107 325 S CB 1.746 65.183 63.200 0.396 0.000 0.990 325 S HN 0.323 nan 8.310 nan 0.000 0.471 326 G N 2.490 111.325 108.800 0.058 0.000 2.628 326 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.217 326 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.217 326 G C 0.936 175.813 174.900 -0.039 0.000 1.240 326 G CA 1.244 46.344 45.100 0.001 0.000 0.792 326 G HN 0.610 nan 8.290 nan 0.000 0.593 327 D N -0.403 119.946 120.400 -0.085 0.000 2.203 327 D HA -0.100 4.539 4.640 -0.000 0.000 0.199 327 D C 2.778 178.990 176.300 -0.147 0.000 0.997 327 D CA 2.079 55.983 54.000 -0.161 0.000 0.863 327 D CB -0.080 40.557 40.800 -0.271 0.000 0.928 327 D HN 0.539 nan 8.370 nan 0.000 0.458 328 T N -5.026 109.489 114.554 -0.065 0.000 2.980 328 T HA 0.449 4.799 4.350 -0.000 0.000 0.252 328 T C 1.159 175.867 174.700 0.012 0.000 0.962 328 T CA 0.527 62.614 62.100 -0.023 0.000 0.932 328 T CB 0.742 69.639 68.868 0.050 0.000 1.188 328 T HN 0.270 nan 8.240 nan 0.000 0.500 329 G N 0.338 109.149 108.800 0.018 0.000 2.698 329 G HA2 0.326 4.286 3.960 -0.000 0.000 0.233 329 G HA3 0.326 4.286 3.960 -0.000 0.000 0.233 329 G C 0.017 174.903 174.900 -0.023 0.000 1.352 329 G CA -0.330 44.764 45.100 -0.011 0.000 0.879 329 G HN 1.389 nan 8.290 nan 0.000 0.567 330 G N -2.786 105.961 108.800 -0.088 0.000 2.921 330 G HA2 0.683 4.643 3.960 -0.000 0.000 0.291 330 G HA3 0.683 4.643 3.960 -0.000 0.000 0.291 330 G C 0.758 175.591 174.900 -0.111 0.000 1.370 330 G CA 0.157 45.180 45.100 -0.128 0.000 0.847 330 G HN 0.730 nan 8.290 nan 0.000 0.532 331 I N -0.073 120.406 120.570 -0.153 0.000 2.193 331 I HA 0.136 4.306 4.170 -0.000 0.000 0.240 331 I C 1.564 177.469 176.117 -0.353 0.000 1.084 331 I CA 0.832 62.044 61.300 -0.145 0.000 1.365 331 I CB -0.983 37.014 38.000 -0.005 0.000 1.064 331 I HN 0.181 nan 8.210 nan 0.000 0.410 332 L N 1.465 122.253 121.223 -0.724 0.000 2.461 332 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 332 L C 0.913 177.453 176.870 -0.551 0.000 1.197 332 L CA 0.116 54.496 54.840 -0.767 0.000 0.836 332 L CB 0.271 41.617 42.059 -1.188 0.000 1.105 332 L HN 0.133 nan 8.230 nan 0.000 0.477 333 K N 1.250 121.406 120.400 -0.406 0.000 2.179 333 K HA 0.126 4.446 4.320 -0.000 0.000 0.238 333 K C 0.461 176.849 176.600 -0.354 0.000 1.033 333 K CA -0.799 55.308 56.287 -0.300 0.000 0.926 333 K CB 0.556 32.951 32.500 -0.174 0.000 1.151 333 K HN 0.509 nan 8.250 nan 0.000 0.492 334 D N 1.612 121.881 120.400 -0.218 0.000 2.311 334 D HA -0.146 4.494 4.640 -0.000 0.000 0.212 334 D C 0.907 177.191 176.300 -0.026 0.000 0.972 334 D CA 1.314 55.223 54.000 -0.152 0.000 0.887 334 D CB 0.002 40.778 40.800 -0.040 0.000 0.915 334 D HN 0.507 nan 8.370 nan 0.000 0.497 335 D N -1.272 119.115 120.400 -0.022 0.000 2.349 335 D HA -0.149 4.491 4.640 -0.000 0.000 0.224 335 D C 0.308 176.744 176.300 0.226 0.000 1.029 335 D CA -0.210 53.859 54.000 0.115 0.000 0.879 335 D CB -0.794 40.036 40.800 0.051 0.000 0.906 335 D HN 0.198 nan 8.370 nan 0.000 0.528 336 W N -0.251 120.983 121.300 -0.109 0.000 4.973 336 W HA -0.237 4.423 4.660 -0.000 0.000 0.350 336 W C 1.347 177.762 176.519 -0.175 0.000 1.280 336 W CA 0.475 57.706 57.345 -0.190 0.000 0.854 336 W CB -1.741 27.638 29.460 -0.134 0.000 2.367 336 W HN 0.173 nan 8.180 nan 0.000 1.511 337 Q N -2.657 117.134 119.800 -0.015 0.000 2.546 337 Q HA 0.110 4.450 4.340 -0.000 0.000 0.226 337 Q C 0.718 176.678 176.000 -0.067 0.000 0.769 337 Q CA 1.002 56.797 55.803 -0.013 0.000 0.954 337 Q CB 0.274 29.029 28.738 0.028 0.000 1.319 337 Q HN -0.001 nan 8.270 nan 0.000 0.534 338 T N 1.946 116.449 114.554 -0.086 0.000 2.814 338 T HA 0.297 4.647 4.350 -0.000 0.000 0.297 338 T C 0.071 174.688 174.700 -0.139 0.000 0.956 338 T CA 0.017 62.066 62.100 -0.084 0.000 1.123 338 T CB 1.216 70.046 68.868 -0.063 0.000 0.902 338 T HN -0.146 nan 8.240 nan 0.000 0.528 339 V N 3.688 123.545 119.914 -0.095 0.000 2.583 339 V HA 0.100 4.220 4.120 -0.000 0.000 0.287 339 V C 0.816 176.867 176.094 -0.072 0.000 1.051 339 V CA -0.512 61.730 62.300 -0.097 0.000 1.010 339 V CB 1.270 33.086 31.823 -0.011 0.000 0.988 339 V HN 0.808 nan 8.190 nan 0.000 0.478 340 D N 3.359 123.710 120.400 -0.083 0.000 2.551 340 D HA 0.031 4.671 4.640 -0.000 0.000 0.223 340 D C 1.594 177.897 176.300 0.006 0.000 1.144 340 D CA 0.339 54.315 54.000 -0.040 0.000 1.025 340 D CB 0.638 41.408 40.800 -0.049 0.000 1.085 340 D HN 0.768 nan 8.370 nan 0.000 0.506 341 T N -0.041 114.522 114.554 0.014 0.000 2.897 341 T HA -0.271 4.079 4.350 -0.000 0.000 0.271 341 T C 1.451 176.184 174.700 0.056 0.000 1.084 341 T CA 1.455 63.575 62.100 0.034 0.000 1.123 341 T CB -0.120 68.762 68.868 0.023 0.000 0.865 341 T HN 0.374 nan 8.240 nan 0.000 0.496 342 D N 1.401 121.842 120.400 0.068 0.000 2.097 342 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 342 D C 2.146 178.580 176.300 0.225 0.000 0.984 342 D CA 1.260 55.336 54.000 0.127 0.000 0.826 342 D CB -0.409 40.467 40.800 0.126 0.000 0.973 342 D HN 0.458 nan 8.370 nan 0.000 0.460 343 K N 0.247 120.728 120.400 0.136 0.000 2.009 343 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 343 K C 1.861 178.499 176.600 0.064 0.000 1.049 343 K CA 2.004 58.332 56.287 0.069 0.000 0.929 343 K CB -0.551 31.949 32.500 -0.000 0.000 0.714 343 K HN 0.159 nan 8.250 nan 0.000 0.440 344 D N -0.749 119.681 120.400 0.050 0.000 2.190 344 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 344 D C 1.747 178.079 176.300 0.052 0.000 0.992 344 D CA 1.648 55.683 54.000 0.059 0.000 0.854 344 D CB -0.475 40.386 40.800 0.101 0.000 0.936 344 D HN 0.405 nan 8.370 nan 0.000 0.462 345 G N -0.573 108.278 108.800 0.085 0.000 2.553 345 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 345 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 345 G C 1.292 176.206 174.900 0.024 0.000 1.195 345 G CA 1.273 46.397 45.100 0.040 0.000 0.779 345 G HN 0.364 nan 8.290 nan 0.000 0.577 346 Y N 0.566 120.827 120.300 -0.065 0.000 2.228 346 Y HA -0.056 4.494 4.550 -0.000 0.000 0.285 346 Y C 2.640 178.460 175.900 -0.134 0.000 1.178 346 Y CA 1.004 59.055 58.100 -0.081 0.000 1.202 346 Y CB -0.243 38.176 38.460 -0.068 0.000 0.974 346 Y HN 0.113 nan 8.280 nan 0.000 0.527 347 L N -1.506 119.705 121.223 -0.019 0.000 2.567 347 L HA 0.127 4.467 4.340 -0.000 0.000 0.225 347 L C 2.448 179.276 176.870 -0.071 0.000 1.119 347 L CA 0.370 55.124 54.840 -0.143 0.000 0.871 347 L CB -0.601 41.339 42.059 -0.199 0.000 1.036 347 L HN 0.150 nan 8.230 nan 0.000 0.459 348 A N 1.727 124.522 122.820 -0.042 0.000 1.896 348 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 348 A C -0.056 177.524 177.584 -0.007 0.000 1.206 348 A CA 2.015 54.034 52.037 -0.030 0.000 0.647 348 A CB -1.812 17.164 19.000 -0.040 0.000 0.828 348 A HN 0.279 nan 8.150 nan 0.000 0.455 349 P HA -0.112 nan 4.420 nan 0.000 0.219 349 P C 1.180 178.508 177.300 0.048 0.000 1.146 349 P CA 1.341 64.443 63.100 0.004 0.000 0.808 349 P CB -0.187 31.506 31.700 -0.012 0.000 0.779 350 I N -5.389 115.205 120.570 0.040 0.000 3.928 350 I HA 0.209 4.379 4.170 -0.000 0.000 0.335 350 I C 0.349 176.740 176.117 0.456 0.000 1.325 350 I CA -0.400 60.999 61.300 0.165 0.000 1.107 350 I CB -0.281 37.657 38.000 -0.103 0.000 1.014 350 I HN -0.261 nan 8.210 nan 0.000 0.400 351 K N 1.596 122.182 120.400 0.309 0.000 2.180 351 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 351 K C 0.270 176.953 176.600 0.138 0.000 1.014 351 K CA -0.094 56.372 56.287 0.299 0.000 0.913 351 K CB 1.332 33.882 32.500 0.082 0.000 1.008 351 K HN 0.297 nan 8.250 nan 0.000 0.490 352 S N -0.305 115.411 115.700 0.027 0.000 3.605 352 S HA 0.351 4.821 4.470 -0.000 0.000 0.301 352 S C -1.069 173.439 174.600 -0.153 0.000 1.083 352 S CA -0.515 57.658 58.200 -0.045 0.000 1.109 352 S CB 0.905 64.088 63.200 -0.027 0.000 1.364 352 S HN 0.644 nan 8.310 nan 0.000 0.758 353 S N 1.120 116.679 115.700 -0.235 0.000 2.537 353 S HA 0.636 5.106 4.470 -0.000 0.000 0.301 353 S C -0.060 174.233 174.600 -0.512 0.000 1.092 353 S CA -0.851 57.181 58.200 -0.280 0.000 1.048 353 S CB 0.444 63.526 63.200 -0.196 0.000 1.053 353 S HN 0.649 nan 8.310 nan 0.000 0.501 354 I N 2.674 123.008 120.570 -0.395 0.000 3.003 354 I HA 0.057 4.227 4.170 -0.000 0.000 0.294 354 I C 0.320 176.165 176.117 -0.453 0.000 1.237 354 I CA 0.350 61.395 61.300 -0.424 0.000 1.417 354 I CB -0.717 37.160 38.000 -0.204 0.000 1.340 354 I HN 0.621 nan 8.210 nan 0.000 0.594 355 F N 2.350 122.293 119.950 -0.011 0.000 2.403 355 F HA 0.315 4.841 4.527 -0.000 0.000 0.326 355 F C 0.918 176.714 175.800 -0.007 0.000 1.099 355 F CA -0.762 57.246 58.000 0.012 0.000 1.036 355 F CB 0.159 39.210 39.000 0.085 0.000 1.336 355 F HN 0.356 nan 8.300 nan 0.000 0.497 356 D N 0.876 121.420 120.400 0.239 0.000 2.341 356 D HA 0.198 4.838 4.640 -0.000 0.000 0.245 356 D C -2.357 173.989 176.300 0.076 0.000 1.106 356 D CA -1.154 52.910 54.000 0.106 0.000 0.905 356 D CB 0.203 41.052 40.800 0.081 0.000 1.202 356 D HN 0.024 nan 8.370 nan 0.000 0.426 357 P HA -0.071 nan 4.420 nan 0.000 0.263 357 P C -0.134 177.156 177.300 -0.017 0.000 1.175 357 P CA 0.184 63.277 63.100 -0.012 0.000 0.761 357 P CB 0.564 32.252 31.700 -0.020 0.000 0.794 358 V N 0.000 119.888 119.914 -0.043 0.000 2.409 358 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 358 V CA 0.000 62.264 62.300 -0.059 0.000 1.235 358 V CB 0.000 31.761 31.823 -0.104 0.000 1.184 358 V HN 0.000 nan 8.190 nan 0.000 0.556