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 1ufa_1_A DATA FIRST_RESID 2 DATA SEQUENCE ARFALVLHAH LPYVRAHGXW PFGEETLYEA XAETYLPLIR VLERLRAEGV DATA SEQUENCE EAPFTLGITP ILAEQLADAR IKEGFWAYAK DRLERAQGDY QRYRGTALEA DATA SEQUENCE SARHQVAFWE LTLDHFQRLS GDLVAAFRKA EEGGQVELIT SNATHGYSPL DATA SEQUENCE LGYDEALWAQ IKTGVSTYRR HFAKDPTGFW LPEXAYRPKG PWKPPVEGPP DATA SEQUENCE EGVRPGVDEL LXRAGIRYTF VDAHLVQGGE PLSXXXXXXX XPVESQEATY DATA SEQUENCE HVHELESGLR VLARNPETTL QVWSADYGYP GEGLYREFHR KDPLSGLHHW DATA SEQUENCE RVTHRKADLA EKAPYDPEAA FAKTEEHARH FVGLLERLAG RHPEGVILSP DATA SEQUENCE YDAELFGHWW YEGVAWLEAV LRLLAQNPKV RPVTAREAVQ GPAVRTALPE DATA SEQUENCE GSWGRGGDHR VWLNEKTLDY WEKVYRAEGA XREAARRGVL PEGVLRQAXR DATA SEQUENCE ELLLLEASDW PFLXETGQAE AYARERYEEH ARAFFHLLKG ASPEELRALE DATA SEQUENCE ERDNPFPEAD PRLYLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.659 177.584 0.124 0.000 1.274 2 A CA 0.000 52.095 52.037 0.097 0.000 0.836 2 A CB 0.000 19.061 19.000 0.102 0.000 0.831 3 R N 0.554 121.139 120.500 0.142 0.000 2.346 3 R HA 0.600 4.939 4.340 -0.001 0.000 0.311 3 R C -1.315 175.125 176.300 0.234 0.000 0.983 3 R CA -0.389 55.804 56.100 0.155 0.000 0.880 3 R CB 1.632 31.991 30.300 0.100 0.000 1.100 3 R HN 0.627 nan 8.270 nan 0.000 0.453 4 F N 2.221 122.229 119.950 0.096 0.000 2.402 4 F HA 0.530 5.056 4.527 -0.001 0.000 0.355 4 F C -0.816 175.063 175.800 0.133 0.000 1.123 4 F CA -1.053 57.020 58.000 0.121 0.000 1.021 4 F CB 1.291 40.368 39.000 0.129 0.000 1.160 4 F HN 0.565 nan 8.300 nan 0.000 0.451 5 A N 7.623 130.159 122.820 -0.474 0.000 2.412 5 A HA 0.550 4.869 4.320 -0.001 0.000 0.334 5 A C -1.343 175.855 177.584 -0.643 0.000 1.419 5 A CA -0.643 51.146 52.037 -0.413 0.000 0.930 5 A CB 0.044 18.965 19.000 -0.132 0.000 1.149 5 A HN 0.812 nan 8.150 nan 0.000 0.515 6 L N 3.940 124.748 121.223 -0.692 0.000 2.319 6 L HA 0.578 4.917 4.340 -0.001 0.000 0.280 6 L C -0.741 176.128 176.870 -0.003 0.000 1.099 6 L CA 0.338 54.986 54.840 -0.319 0.000 0.828 6 L CB 1.200 43.214 42.059 -0.076 0.000 1.150 6 L HN 0.332 nan 8.230 nan 0.000 0.442 7 V N 7.105 127.050 119.914 0.051 0.000 2.409 7 V HA 0.380 4.499 4.120 -0.001 0.000 0.290 7 V C -0.169 176.025 176.094 0.166 0.000 1.017 7 V CA -0.525 61.807 62.300 0.053 0.000 0.841 7 V CB 1.374 33.064 31.823 -0.221 0.000 1.003 7 V HN 0.613 nan 8.190 nan 0.000 0.426 8 L N 4.873 126.214 121.223 0.195 0.000 2.282 8 L HA 0.546 4.885 4.340 -0.001 0.000 0.288 8 L C 0.061 176.944 176.870 0.023 0.000 1.033 8 L CA -0.471 54.488 54.840 0.197 0.000 0.807 8 L CB 1.167 43.356 42.059 0.216 0.000 1.209 8 L HN 0.689 nan 8.230 nan 0.000 0.423 9 H N 4.178 123.105 119.070 -0.240 0.000 2.673 9 H HA 0.520 5.075 4.556 -0.001 0.000 0.293 9 H C -0.999 174.208 175.328 -0.202 0.000 1.065 9 H CA -0.778 54.948 56.048 -0.537 0.000 1.236 9 H CB 1.456 30.303 29.762 -1.525 0.000 1.389 9 H HN 0.740 nan 8.280 nan 0.000 0.481 10 A N 4.859 127.467 122.820 -0.353 0.000 2.320 10 A HA 0.363 4.682 4.320 -0.001 0.000 0.287 10 A C -0.947 176.439 177.584 -0.329 0.000 1.181 10 A CA -0.203 51.680 52.037 -0.257 0.000 0.831 10 A CB 0.094 18.947 19.000 -0.245 0.000 1.102 10 A HN 0.938 nan 8.150 nan 0.000 0.513 11 H N 0.980 119.827 119.070 -0.372 0.000 3.064 11 H HA 0.725 5.281 4.556 -0.001 0.000 0.352 11 H C -2.149 173.116 175.328 -0.104 0.000 1.260 11 H CA -0.712 55.174 56.048 -0.270 0.000 1.160 11 H CB 1.162 30.685 29.762 -0.398 0.000 1.879 11 H HN 0.616 nan 8.280 nan 0.000 0.544 12 L N 4.912 125.510 121.223 -1.041 0.000 2.611 12 L HA 0.402 4.741 4.340 -0.001 0.000 0.260 12 L C -2.570 173.908 176.870 -0.655 0.000 0.924 12 L CA -1.592 52.831 54.840 -0.695 0.000 0.901 12 L CB 2.346 44.248 42.059 -0.262 0.000 1.369 12 L HN 0.605 nan 8.230 nan 0.000 0.415 13 P HA 0.028 nan 4.420 nan 0.000 0.274 13 P C -0.820 176.549 177.300 0.117 0.000 1.260 13 P CA -0.214 62.857 63.100 -0.047 0.000 0.793 13 P CB 0.409 32.087 31.700 -0.038 0.000 1.048 14 Y N 1.147 121.531 120.300 0.139 0.000 2.637 14 Y HA 0.147 4.696 4.550 -0.001 0.000 0.350 14 Y C 1.143 177.198 175.900 0.260 0.000 1.069 14 Y CA 0.246 58.454 58.100 0.179 0.000 1.397 14 Y CB -0.263 38.319 38.460 0.203 0.000 1.163 14 Y HN 0.106 nan 8.280 nan 0.000 0.527 15 V N 3.448 123.226 119.914 -0.227 0.000 3.604 15 V HA 0.306 4.425 4.120 -0.001 0.000 0.277 15 V C 0.834 176.780 176.094 -0.246 0.000 1.399 15 V CA -0.260 61.967 62.300 -0.122 0.000 1.034 15 V CB -0.341 31.375 31.823 -0.178 0.000 0.824 15 V HN 0.641 nan 8.190 nan 0.000 0.439 16 R N 1.660 121.810 120.500 -0.583 0.000 2.537 16 R HA 0.337 4.676 4.340 -0.001 0.000 0.281 16 R C 1.101 177.297 176.300 -0.173 0.000 0.988 16 R CA 1.043 56.911 56.100 -0.387 0.000 1.077 16 R CB 0.156 30.215 30.300 -0.401 0.000 0.932 16 R HN 1.191 nan 8.270 nan 0.000 0.409 17 A N 3.599 126.395 122.820 -0.041 0.000 2.861 17 A HA -0.223 4.096 4.320 -0.001 0.000 0.261 17 A C -0.256 177.240 177.584 -0.146 0.000 1.351 17 A CA 1.767 53.782 52.037 -0.037 0.000 0.904 17 A CB -2.153 16.845 19.000 -0.005 0.000 1.076 17 A HN 1.002 nan 8.150 nan 0.000 0.729 18 H N -0.808 118.285 119.070 0.037 0.000 2.505 18 H HA 0.487 5.042 4.556 -0.001 0.000 0.260 18 H C 1.010 176.427 175.328 0.149 0.000 1.168 18 H CA 1.307 57.418 56.048 0.106 0.000 0.945 18 H CB 0.273 30.129 29.762 0.158 0.000 1.800 18 H HN 1.723 nan 8.280 nan 0.000 0.586 22 P HA 0.020 nan 4.420 nan 0.000 0.213 22 P C -0.091 176.666 177.300 -0.904 0.000 1.170 22 P CA 1.009 63.422 63.100 -1.145 0.000 0.889 22 P CB 0.008 31.223 31.700 -0.808 0.000 0.782 23 F N 0.246 119.780 119.950 -0.694 0.000 2.334 23 F HA 0.548 5.074 4.527 -0.001 0.000 0.365 23 F C 0.626 176.124 175.800 -0.504 0.000 1.124 23 F CA -0.097 57.562 58.000 -0.569 0.000 1.166 23 F CB 0.274 38.927 39.000 -0.579 0.000 1.355 23 F HN -0.036 nan 8.300 nan 0.000 0.532 24 G N 3.657 112.150 108.800 -0.511 0.000 2.793 24 G HA2 0.112 4.071 3.960 -0.001 0.000 0.248 24 G HA3 0.112 4.071 3.960 -0.001 0.000 0.248 24 G C 0.222 174.907 174.900 -0.360 0.000 1.198 24 G CA -0.497 44.430 45.100 -0.288 0.000 0.865 24 G HN 0.311 nan 8.290 nan 0.000 0.534 25 E N -0.056 119.966 120.200 -0.297 0.000 2.160 25 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 25 E C 1.967 178.049 176.600 -0.863 0.000 0.991 25 E CA 1.329 57.389 56.400 -0.566 0.000 0.810 25 E CB 0.124 29.544 29.700 -0.468 0.000 0.742 25 E HN 0.603 nan 8.360 nan 0.000 0.466 26 E N 0.468 120.427 120.200 -0.401 0.000 2.204 26 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 26 E C 1.679 178.144 176.600 -0.226 0.000 0.990 26 E CA 1.346 57.619 56.400 -0.212 0.000 0.821 26 E CB 0.142 29.998 29.700 0.261 0.000 0.750 26 E HN 0.089 nan 8.360 nan 0.000 0.477 27 T N 1.080 115.464 114.554 -0.283 0.000 2.821 27 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 27 T C 1.619 176.124 174.700 -0.324 0.000 1.046 27 T CA 0.976 62.889 62.100 -0.311 0.000 1.139 27 T CB -0.155 68.367 68.868 -0.577 0.000 0.871 27 T HN 0.131 nan 8.240 nan 0.000 0.454 28 L N 0.227 121.215 121.223 -0.391 0.000 2.109 28 L HA 0.104 4.444 4.340 -0.001 0.000 0.207 28 L C 1.944 178.761 176.870 -0.088 0.000 1.086 28 L CA 1.463 56.150 54.840 -0.255 0.000 0.760 28 L CB -0.871 41.008 42.059 -0.300 0.000 0.910 28 L HN 0.395 nan 8.230 nan 0.000 0.437 29 Y N -0.034 120.175 120.300 -0.151 0.000 2.224 29 Y HA -0.229 4.320 4.550 -0.001 0.000 0.289 29 Y C 2.456 178.337 175.900 -0.032 0.000 1.146 29 Y CA 0.986 59.010 58.100 -0.127 0.000 1.182 29 Y CB -0.140 37.852 38.460 -0.780 0.000 0.983 29 Y HN 0.318 nan 8.280 nan 0.000 0.524 30 E N 1.014 121.225 120.200 0.018 0.000 2.051 30 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 30 E C 1.417 178.068 176.600 0.085 0.000 0.991 30 E CA 0.391 56.912 56.400 0.202 0.000 0.799 30 E CB -0.176 29.616 29.700 0.153 0.000 0.748 30 E HN 0.339 nan 8.360 nan 0.000 0.449 34 E N -0.096 120.289 120.200 0.308 0.000 2.276 34 E HA 0.104 4.453 4.350 -0.001 0.000 0.193 34 E C 1.373 178.068 176.600 0.157 0.000 0.983 34 E CA 1.325 57.895 56.400 0.283 0.000 0.861 34 E CB 0.312 30.176 29.700 0.273 0.000 0.817 34 E HN 0.552 nan 8.360 nan 0.000 0.485 35 T N -0.675 113.871 114.554 -0.012 0.000 3.238 35 T HA 0.051 4.400 4.350 -0.001 0.000 0.242 35 T C 1.609 176.378 174.700 0.116 0.000 0.980 35 T CA 0.015 62.099 62.100 -0.026 0.000 1.235 35 T CB -0.459 68.285 68.868 -0.206 0.000 1.069 35 T HN 0.144 nan 8.240 nan 0.000 0.407 36 Y N 1.713 122.130 120.300 0.196 0.000 2.145 36 Y HA 0.004 4.553 4.550 -0.001 0.000 0.286 36 Y C 2.453 178.465 175.900 0.186 0.000 1.145 36 Y CA 0.453 58.716 58.100 0.271 0.000 1.148 36 Y CB -0.510 38.103 38.460 0.256 0.000 0.981 36 Y HN 0.046 nan 8.280 nan 0.000 0.507 37 L N -0.297 121.063 121.223 0.227 0.000 2.017 37 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 37 L C -0.607 176.379 176.870 0.193 0.000 1.073 37 L CA 1.164 56.101 54.840 0.161 0.000 0.745 37 L CB -1.617 40.516 42.059 0.123 0.000 0.894 37 L HN 0.155 nan 8.230 nan 0.000 0.432 38 P HA -0.185 nan 4.420 nan 0.000 0.217 38 P C 1.713 179.080 177.300 0.112 0.000 1.150 38 P CA 1.041 64.211 63.100 0.117 0.000 0.832 38 P CB 0.098 31.881 31.700 0.137 0.000 0.787 39 L N -0.665 120.668 121.223 0.183 0.000 2.017 39 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 39 L C 2.148 179.144 176.870 0.211 0.000 1.073 39 L CA 1.751 56.724 54.840 0.222 0.000 0.745 39 L CB -1.178 41.102 42.059 0.368 0.000 0.894 39 L HN -0.116 nan 8.230 nan 0.000 0.432 40 I N -0.850 119.816 120.570 0.160 0.000 2.264 40 I HA -0.318 3.851 4.170 -0.001 0.000 0.248 40 I C 2.559 178.704 176.117 0.047 0.000 1.111 40 I CA 1.166 62.478 61.300 0.020 0.000 1.382 40 I CB -0.306 37.618 38.000 -0.127 0.000 1.060 40 I HN 0.260 nan 8.210 nan 0.000 0.418 41 R N -0.078 120.442 120.500 0.034 0.000 2.115 41 R HA -0.090 4.250 4.340 -0.001 0.000 0.230 41 R C 2.298 178.569 176.300 -0.048 0.000 1.111 41 R CA 1.051 57.091 56.100 -0.101 0.000 0.976 41 R CB -0.368 29.812 30.300 -0.200 0.000 0.870 41 R HN 0.240 nan 8.270 nan 0.000 0.445 42 V N 1.712 121.630 119.914 0.007 0.000 2.295 42 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 42 V C 2.356 178.480 176.094 0.050 0.000 1.049 42 V CA 1.655 63.966 62.300 0.018 0.000 1.024 42 V CB -0.413 31.428 31.823 0.030 0.000 0.648 42 V HN 0.270 nan 8.190 nan 0.000 0.447 43 L N -0.325 120.956 121.223 0.098 0.000 2.079 43 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 43 L C 2.565 179.454 176.870 0.033 0.000 1.081 43 L CA 1.762 56.661 54.840 0.098 0.000 0.752 43 L CB -0.643 41.487 42.059 0.118 0.000 0.896 43 L HN 0.419 nan 8.230 nan 0.000 0.433 44 E N -0.272 119.929 120.200 0.002 0.000 2.072 44 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 44 E C 2.357 178.942 176.600 -0.025 0.000 0.985 44 E CA 0.892 57.279 56.400 -0.022 0.000 0.801 44 E CB -0.018 29.652 29.700 -0.050 0.000 0.750 44 E HN 0.419 nan 8.360 nan 0.000 0.452 45 R N 0.255 120.738 120.500 -0.029 0.000 2.070 45 R HA -0.128 4.212 4.340 -0.001 0.000 0.233 45 R C 2.270 178.563 176.300 -0.010 0.000 1.137 45 R CA 0.928 57.011 56.100 -0.028 0.000 0.945 45 R CB -0.337 29.942 30.300 -0.035 0.000 0.845 45 R HN 0.078 nan 8.270 nan 0.000 0.430 46 L N 0.930 122.157 121.223 0.007 0.000 2.079 46 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 46 L C 2.413 179.291 176.870 0.013 0.000 1.081 46 L CA 1.670 56.521 54.840 0.019 0.000 0.752 46 L CB -0.791 41.298 42.059 0.050 0.000 0.896 46 L HN 0.163 nan 8.230 nan 0.000 0.433 47 R N -0.723 119.782 120.500 0.008 0.000 2.073 47 R HA -0.072 4.267 4.340 -0.001 0.000 0.229 47 R C 2.222 178.519 176.300 -0.005 0.000 1.120 47 R CA 1.170 57.270 56.100 0.001 0.000 0.967 47 R CB -0.120 30.177 30.300 -0.005 0.000 0.862 47 R HN 0.297 nan 8.270 nan 0.000 0.436 48 A N 0.896 123.710 122.820 -0.010 0.000 1.930 48 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 48 A C 1.565 179.143 177.584 -0.011 0.000 1.175 48 A CA 1.442 53.471 52.037 -0.014 0.000 0.627 48 A CB -0.219 18.767 19.000 -0.022 0.000 0.815 48 A HN 0.487 nan 8.150 nan 0.000 0.443 49 E N -1.373 118.821 120.200 -0.009 0.000 2.479 49 E HA 0.290 4.639 4.350 -0.001 0.000 0.193 49 E C 0.965 177.564 176.600 -0.001 0.000 1.049 49 E CA 0.196 56.592 56.400 -0.007 0.000 0.870 49 E CB -0.038 29.657 29.700 -0.008 0.000 0.944 49 E HN 0.695 nan 8.360 nan 0.000 0.492 50 G N 1.434 110.234 108.800 0.001 0.000 2.179 50 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.257 50 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.257 50 G C 0.325 175.231 174.900 0.010 0.000 1.010 50 G CA 0.182 45.285 45.100 0.005 0.000 0.736 50 G HN 0.181 nan 8.290 nan 0.000 0.513 51 V N 0.628 120.550 119.914 0.013 0.000 2.470 51 V HA 0.245 4.364 4.120 -0.001 0.000 0.276 51 V C 0.720 176.833 176.094 0.032 0.000 1.040 51 V CA 0.151 62.464 62.300 0.020 0.000 1.008 51 V CB 1.221 33.056 31.823 0.020 0.000 0.990 51 V HN 0.417 nan 8.190 nan 0.000 0.477 52 E N 4.210 124.430 120.200 0.034 0.000 1.993 52 E HA 0.589 4.939 4.350 -0.001 0.000 0.271 52 E C -0.042 176.596 176.600 0.063 0.000 1.008 52 E CA -0.184 56.241 56.400 0.043 0.000 0.814 52 E CB 1.198 30.918 29.700 0.034 0.000 1.098 52 E HN 0.779 nan 8.360 nan 0.000 0.407 53 A N 5.043 127.915 122.820 0.088 0.000 3.307 53 A HA 0.288 4.607 4.320 -0.001 0.000 0.289 53 A C -2.597 175.101 177.584 0.189 0.000 1.138 53 A CA -1.094 51.022 52.037 0.133 0.000 0.860 53 A CB 0.391 19.465 19.000 0.124 0.000 1.318 53 A HN 0.294 nan 8.150 nan 0.000 0.551 54 P HA 0.609 nan 4.420 nan 0.000 0.275 54 P C -0.671 176.742 177.300 0.188 0.000 1.228 54 P CA 0.089 63.243 63.100 0.090 0.000 0.786 54 P CB 0.758 32.466 31.700 0.013 0.000 0.927 55 F N -1.544 118.419 119.950 0.022 0.000 2.824 55 F HA 0.747 5.273 4.527 -0.001 0.000 0.330 55 F C -0.907 174.899 175.800 0.010 0.000 1.175 55 F CA -1.027 56.972 58.000 -0.001 0.000 0.974 55 F CB 0.684 39.687 39.000 0.005 0.000 1.430 55 F HN 0.073 nan 8.300 nan 0.000 0.507 56 T N 2.325 116.999 114.554 0.201 0.000 2.823 56 T HA 0.641 4.990 4.350 -0.001 0.000 0.279 56 T C -1.623 173.180 174.700 0.173 0.000 0.998 56 T CA -0.388 61.763 62.100 0.085 0.000 0.994 56 T CB 1.604 70.555 68.868 0.139 0.000 0.960 56 T HN 0.719 nan 8.240 nan 0.000 0.448 57 L N 2.579 123.822 121.223 0.033 0.000 2.381 57 L HA 0.821 5.160 4.340 -0.001 0.000 0.274 57 L C -0.140 176.717 176.870 -0.021 0.000 0.988 57 L CA -0.137 54.721 54.840 0.030 0.000 0.824 57 L CB 1.472 43.497 42.059 -0.056 0.000 1.263 57 L HN 0.757 nan 8.230 nan 0.000 0.410 58 G N 5.539 114.326 108.800 -0.022 0.000 2.415 58 G HA2 0.673 4.633 3.960 -0.001 0.000 0.327 58 G HA3 0.673 4.633 3.960 -0.001 0.000 0.327 58 G C -1.108 173.747 174.900 -0.076 0.000 1.182 58 G CA -0.442 44.660 45.100 0.003 0.000 0.924 58 G HN 0.592 nan 8.290 nan 0.000 0.470 59 I N 2.330 122.887 120.570 -0.023 0.000 2.448 59 I HA 0.199 4.368 4.170 -0.001 0.000 0.281 59 I C 0.688 176.853 176.117 0.080 0.000 1.027 59 I CA -0.768 60.494 61.300 -0.064 0.000 1.111 59 I CB 1.972 39.913 38.000 -0.100 0.000 1.236 59 I HN 0.602 nan 8.210 nan 0.000 0.452 60 T N 2.880 117.501 114.554 0.112 0.000 2.946 60 T HA 0.083 4.433 4.350 -0.001 0.000 0.311 60 T C -1.848 172.979 174.700 0.211 0.000 1.063 60 T CA -0.938 61.279 62.100 0.197 0.000 1.139 60 T CB 0.687 69.758 68.868 0.338 0.000 0.994 60 T HN 0.291 nan 8.240 nan 0.000 0.547 61 P HA -0.115 nan 4.420 nan 0.000 0.216 61 P C 1.550 179.035 177.300 0.310 0.000 1.154 61 P CA 0.444 63.730 63.100 0.309 0.000 0.865 61 P CB -0.058 31.851 31.700 0.348 0.000 0.789 62 I N -1.310 119.457 120.570 0.328 0.000 2.454 62 I HA -0.163 4.007 4.170 -0.001 0.000 0.254 62 I C 1.821 178.025 176.117 0.145 0.000 1.156 62 I CA 1.187 62.616 61.300 0.215 0.000 1.433 62 I CB -0.897 37.284 38.000 0.302 0.000 1.082 62 I HN -0.170 nan 8.210 nan 0.000 0.432 63 L N 0.791 122.099 121.223 0.141 0.000 2.044 63 L HA 0.098 4.438 4.340 -0.001 0.000 0.205 63 L C 2.484 179.362 176.870 0.013 0.000 1.075 63 L CA 2.100 56.963 54.840 0.039 0.000 0.747 63 L CB -1.270 40.777 42.059 -0.020 0.000 0.903 63 L HN 0.192 nan 8.230 nan 0.000 0.435 64 A N -0.696 122.148 122.820 0.041 0.000 1.940 64 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 64 A C 2.126 179.712 177.584 0.005 0.000 1.176 64 A CA 1.695 53.731 52.037 -0.002 0.000 0.631 64 A CB -0.613 18.441 19.000 0.090 0.000 0.814 64 A HN 0.552 nan 8.150 nan 0.000 0.446 65 E N -0.086 120.171 120.200 0.095 0.000 2.153 65 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 65 E C 2.142 178.768 176.600 0.043 0.000 0.988 65 E CA 1.426 57.859 56.400 0.055 0.000 0.811 65 E CB -0.296 29.320 29.700 -0.140 0.000 0.746 65 E HN 0.816 nan 8.360 nan 0.000 0.466 66 Q N -0.062 119.770 119.800 0.053 0.000 2.123 66 Q HA 0.049 4.388 4.340 -0.001 0.000 0.196 66 Q C 2.480 178.510 176.000 0.050 0.000 0.958 66 Q CA 0.468 56.308 55.803 0.062 0.000 0.841 66 Q CB 0.034 28.794 28.738 0.037 0.000 0.915 66 Q HN 0.224 nan 8.270 nan 0.000 0.455 67 L N 0.191 121.423 121.223 0.016 0.000 2.127 67 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 67 L C 2.064 178.930 176.870 -0.006 0.000 1.089 67 L CA 0.962 55.809 54.840 0.012 0.000 0.757 67 L CB -0.359 41.683 42.059 -0.029 0.000 0.899 67 L HN 0.175 nan 8.230 nan 0.000 0.434 68 A N -1.286 121.500 122.820 -0.056 0.000 2.278 68 A HA -0.020 4.300 4.320 -0.001 0.000 0.212 68 A C 0.370 177.962 177.584 0.012 0.000 1.213 68 A CA -0.139 51.857 52.037 -0.069 0.000 0.840 68 A CB -0.490 18.404 19.000 -0.175 0.000 0.866 68 A HN 0.310 nan 8.150 nan 0.000 0.489 69 D N -0.977 119.456 120.400 0.054 0.000 2.256 69 D HA 0.545 5.184 4.640 -0.001 0.000 0.250 69 D C 1.273 177.640 176.300 0.112 0.000 1.093 69 D CA 0.432 54.484 54.000 0.087 0.000 0.882 69 D CB 1.326 42.189 40.800 0.106 0.000 1.185 69 D HN 0.064 nan 8.370 nan 0.000 0.437 70 A N 4.554 127.438 122.820 0.106 0.000 1.908 70 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 70 A C 2.092 179.768 177.584 0.154 0.000 1.181 70 A CA 1.571 53.681 52.037 0.122 0.000 0.627 70 A CB -0.486 18.574 19.000 0.100 0.000 0.818 70 A HN 0.741 nan 8.150 nan 0.000 0.445 71 R N -0.521 120.066 120.500 0.144 0.000 2.081 71 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 71 R C 1.830 178.258 176.300 0.212 0.000 1.131 71 R CA 1.659 57.854 56.100 0.158 0.000 0.960 71 R CB -0.290 30.090 30.300 0.133 0.000 0.856 71 R HN 0.422 nan 8.270 nan 0.000 0.436 72 I N 1.593 122.296 120.570 0.222 0.000 2.226 72 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 72 I C 2.077 178.406 176.117 0.353 0.000 1.100 72 I CA 1.497 62.989 61.300 0.321 0.000 1.374 72 I CB -0.936 37.208 38.000 0.241 0.000 1.057 72 I HN 0.228 nan 8.210 nan 0.000 0.413 73 K N 0.433 121.018 120.400 0.308 0.000 2.032 73 K HA -0.241 4.078 4.320 -0.001 0.000 0.209 73 K C 2.079 178.955 176.600 0.459 0.000 1.048 73 K CA 1.601 58.142 56.287 0.422 0.000 0.927 73 K CB -0.152 32.540 32.500 0.320 0.000 0.712 73 K HN 0.109 nan 8.250 nan 0.000 0.441 74 E N 0.188 120.601 120.200 0.355 0.000 2.072 74 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 74 E C 1.965 178.686 176.600 0.202 0.000 0.985 74 E CA 1.403 58.005 56.400 0.337 0.000 0.801 74 E CB -0.378 29.453 29.700 0.218 0.000 0.750 74 E HN 0.382 nan 8.360 nan 0.000 0.452 75 G N -0.324 108.561 108.800 0.140 0.000 2.418 75 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 75 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 75 G C 1.487 176.015 174.900 -0.621 0.000 1.158 75 G CA 0.705 45.781 45.100 -0.040 0.000 0.771 75 G HN 0.373 nan 8.290 nan 0.000 0.545 76 F N -0.021 119.500 119.950 -0.714 0.000 2.134 76 F HA 0.007 4.533 4.527 -0.001 0.000 0.299 76 F C 2.254 177.809 175.800 -0.408 0.000 1.097 76 F CA 1.058 58.556 58.000 -0.836 0.000 1.264 76 F CB -0.120 38.550 39.000 -0.551 0.000 1.001 76 F HN 0.185 nan 8.300 nan 0.000 0.479 77 W N 1.203 122.248 121.300 -0.424 0.000 2.335 77 W HA -0.172 4.488 4.660 -0.001 0.000 0.311 77 W C 2.480 178.803 176.519 -0.327 0.000 1.213 77 W CA 2.379 59.539 57.345 -0.308 0.000 1.274 77 W CB -1.211 28.276 29.460 0.045 0.000 1.148 77 W HN 0.142 nan 8.180 nan 0.000 0.498 78 A N -1.108 121.682 122.820 -0.050 0.000 1.930 78 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 78 A C 1.881 179.337 177.584 -0.214 0.000 1.175 78 A CA 1.648 53.602 52.037 -0.137 0.000 0.627 78 A CB -1.529 17.411 19.000 -0.100 0.000 0.815 78 A HN 0.387 nan 8.150 nan 0.000 0.443 79 Y N 0.738 120.759 120.300 -0.464 0.000 2.097 79 Y HA -0.144 4.405 4.550 -0.001 0.000 0.282 79 Y C 2.655 178.211 175.900 -0.573 0.000 1.152 79 Y CA 1.543 59.345 58.100 -0.496 0.000 1.136 79 Y CB -0.596 37.494 38.460 -0.617 0.000 0.975 79 Y HN 0.299 nan 8.280 nan 0.000 0.498 80 A N 0.642 123.074 122.820 -0.646 0.000 1.902 80 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 80 A C 2.346 179.664 177.584 -0.445 0.000 1.181 80 A CA 1.967 53.650 52.037 -0.591 0.000 0.623 80 A CB -0.843 17.880 19.000 -0.462 0.000 0.818 80 A HN 0.555 nan 8.150 nan 0.000 0.443 81 K N -0.214 120.019 120.400 -0.278 0.000 2.026 81 K HA -0.252 4.067 4.320 -0.001 0.000 0.208 81 K C 1.750 178.171 176.600 -0.299 0.000 1.048 81 K CA 2.056 58.226 56.287 -0.194 0.000 0.929 81 K CB -0.339 32.079 32.500 -0.136 0.000 0.713 81 K HN 0.413 nan 8.250 nan 0.000 0.439 82 D N 0.200 120.375 120.400 -0.375 0.000 2.117 82 D HA -0.149 4.490 4.640 -0.001 0.000 0.197 82 D C 1.981 177.964 176.300 -0.528 0.000 0.987 82 D CA 1.081 54.850 54.000 -0.385 0.000 0.829 82 D CB 0.180 40.764 40.800 -0.359 0.000 0.961 82 D HN 0.111 nan 8.370 nan 0.000 0.460 83 R N -0.144 119.838 120.500 -0.863 0.000 2.081 83 R HA -0.086 4.254 4.340 -0.001 0.000 0.235 83 R C 2.308 178.059 176.300 -0.915 0.000 1.131 83 R CA 0.543 55.931 56.100 -1.188 0.000 0.960 83 R CB -1.128 27.745 30.300 -2.377 0.000 0.856 83 R HN 0.332 nan 8.270 nan 0.000 0.436 84 L N 1.939 122.783 121.223 -0.631 0.000 2.012 84 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 84 L C 1.825 178.605 176.870 -0.150 0.000 1.073 84 L CA 1.852 56.570 54.840 -0.204 0.000 0.748 84 L CB -0.505 41.527 42.059 -0.045 0.000 0.891 84 L HN 0.142 nan 8.230 nan 0.000 0.431 85 E N -0.685 119.402 120.200 -0.189 0.000 2.110 85 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 85 E C 2.236 178.761 176.600 -0.125 0.000 0.988 85 E CA 1.273 57.593 56.400 -0.133 0.000 0.804 85 E CB -0.161 29.453 29.700 -0.145 0.000 0.745 85 E HN 0.525 nan 8.360 nan 0.000 0.458 86 R N 0.352 120.739 120.500 -0.188 0.000 2.115 86 R HA -0.025 4.314 4.340 -0.001 0.000 0.230 86 R C 2.319 178.588 176.300 -0.053 0.000 1.111 86 R CA 0.941 56.954 56.100 -0.144 0.000 0.976 86 R CB -0.175 29.998 30.300 -0.212 0.000 0.870 86 R HN 0.097 nan 8.270 nan 0.000 0.445 87 A N 1.287 124.087 122.820 -0.033 0.000 1.872 87 A HA -0.179 4.140 4.320 -0.001 0.000 0.214 87 A C 2.036 179.695 177.584 0.125 0.000 1.187 87 A CA 1.005 53.113 52.037 0.117 0.000 0.614 87 A CB -0.298 18.838 19.000 0.225 0.000 0.826 87 A HN 0.278 nan 8.150 nan 0.000 0.442 88 Q N -0.594 119.248 119.800 0.069 0.000 2.124 88 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 88 Q C 2.123 178.173 176.000 0.082 0.000 0.977 88 Q CA 1.220 57.075 55.803 0.087 0.000 0.850 88 Q CB -0.414 28.345 28.738 0.036 0.000 0.901 88 Q HN 0.678 nan 8.270 nan 0.000 0.429 89 G N 0.798 109.606 108.800 0.013 0.000 2.408 89 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 89 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 89 G C 0.789 175.640 174.900 -0.082 0.000 1.150 89 G CA 0.893 45.970 45.100 -0.038 0.000 0.776 89 G HN 0.211 nan 8.290 nan 0.000 0.542 90 D N -0.892 119.483 120.400 -0.042 0.000 2.178 90 D HA -0.083 4.556 4.640 -0.001 0.000 0.202 90 D C 1.856 178.104 176.300 -0.085 0.000 0.974 90 D CA 0.426 54.346 54.000 -0.132 0.000 0.841 90 D CB -0.240 40.636 40.800 0.128 0.000 0.953 90 D HN 0.353 nan 8.370 nan 0.000 0.478 91 Y N 1.350 121.632 120.300 -0.030 0.000 2.242 91 Y HA -0.170 4.379 4.550 -0.001 0.000 0.291 91 Y C 1.984 177.868 175.900 -0.028 0.000 1.137 91 Y CA 1.349 59.453 58.100 0.006 0.000 1.181 91 Y CB 0.044 38.523 38.460 0.032 0.000 0.989 91 Y HN -0.113 nan 8.280 nan 0.000 0.527 92 Q N 0.238 119.939 119.800 -0.164 0.000 2.137 92 Q HA -0.073 4.266 4.340 -0.001 0.000 0.198 92 Q C 2.281 178.134 176.000 -0.244 0.000 0.960 92 Q CA 1.365 57.034 55.803 -0.223 0.000 0.847 92 Q CB -0.225 28.459 28.738 -0.091 0.000 0.915 92 Q HN 0.552 nan 8.270 nan 0.000 0.448 93 R N -0.640 119.684 120.500 -0.294 0.000 2.073 93 R HA -0.051 4.288 4.340 -0.001 0.000 0.229 93 R C 1.601 177.744 176.300 -0.262 0.000 1.120 93 R CA 1.114 56.996 56.100 -0.363 0.000 0.967 93 R CB -0.083 29.822 30.300 -0.659 0.000 0.862 93 R HN 0.332 nan 8.270 nan 0.000 0.436 94 Y N 0.161 120.362 120.300 -0.165 0.000 2.457 94 Y HA 0.177 4.726 4.550 -0.001 0.000 0.263 94 Y C 0.690 176.460 175.900 -0.216 0.000 1.164 94 Y CA -0.864 57.130 58.100 -0.177 0.000 1.274 94 Y CB 0.299 38.632 38.460 -0.211 0.000 1.097 94 Y HN -0.085 nan 8.280 nan 0.000 0.523 95 R N 0.852 121.226 120.500 -0.209 0.000 2.585 95 R HA 0.067 4.406 4.340 -0.001 0.000 0.275 95 R C 1.233 177.455 176.300 -0.130 0.000 1.018 95 R CA 1.333 57.241 56.100 -0.320 0.000 1.072 95 R CB 0.029 30.025 30.300 -0.507 0.000 0.953 95 R HN 0.563 nan 8.270 nan 0.000 0.419 96 G N 2.341 111.092 108.800 -0.082 0.000 2.184 96 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.264 96 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.264 96 G C 0.161 175.047 174.900 -0.023 0.000 0.975 96 G CA 0.747 45.824 45.100 -0.039 0.000 0.642 96 G HN 0.833 nan 8.290 nan 0.000 0.536 97 T N -3.679 110.861 114.554 -0.023 0.000 2.919 97 T HA 0.797 5.146 4.350 -0.001 0.000 0.282 97 T C 1.590 176.258 174.700 -0.054 0.000 1.020 97 T CA 0.419 62.502 62.100 -0.027 0.000 0.994 97 T CB 1.600 70.460 68.868 -0.015 0.000 1.180 97 T HN 1.304 nan 8.240 nan 0.000 0.566 98 A N -0.171 122.605 122.820 -0.074 0.000 2.121 98 A HA 0.216 4.536 4.320 -0.001 0.000 0.218 98 A C 2.008 179.504 177.584 -0.146 0.000 1.154 98 A CA 0.759 52.746 52.037 -0.082 0.000 0.679 98 A CB -0.969 17.998 19.000 -0.056 0.000 0.795 98 A HN 0.757 nan 8.150 nan 0.000 0.458 99 L N -1.028 120.044 121.223 -0.252 0.000 2.607 99 L HA 0.083 4.422 4.340 -0.001 0.000 0.228 99 L C 2.034 178.780 176.870 -0.208 0.000 1.123 99 L CA 0.339 54.938 54.840 -0.401 0.000 0.890 99 L CB -0.181 41.313 42.059 -0.941 0.000 1.103 99 L HN 0.550 nan 8.230 nan 0.000 0.468 100 E N 1.594 121.753 120.200 -0.068 0.000 2.038 100 E HA -0.261 4.089 4.350 -0.001 0.000 0.195 100 E C 2.262 178.934 176.600 0.121 0.000 1.000 100 E CA 1.558 57.988 56.400 0.051 0.000 0.803 100 E CB 0.100 29.824 29.700 0.041 0.000 0.750 100 E HN 0.453 nan 8.360 nan 0.000 0.448 101 A N 0.574 123.433 122.820 0.064 0.000 1.917 101 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 101 A C 2.355 180.016 177.584 0.129 0.000 1.182 101 A CA 2.175 54.259 52.037 0.077 0.000 0.633 101 A CB -0.964 18.040 19.000 0.006 0.000 0.819 101 A HN 0.373 nan 8.150 nan 0.000 0.448 102 S N -0.677 115.091 115.700 0.112 0.000 2.368 102 S HA 0.006 4.475 4.470 -0.001 0.000 0.224 102 S C 2.157 176.974 174.600 0.362 0.000 1.029 102 S CA 1.496 59.860 58.200 0.273 0.000 0.988 102 S CB -0.470 62.892 63.200 0.270 0.000 0.838 102 S HN 0.835 nan 8.310 nan 0.000 0.462 103 A N 1.643 124.610 122.820 0.246 0.000 1.898 103 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 103 A C 2.258 180.037 177.584 0.325 0.000 1.181 103 A CA 1.241 53.476 52.037 0.330 0.000 0.620 103 A CB -0.566 18.606 19.000 0.288 0.000 0.819 103 A HN 0.591 nan 8.150 nan 0.000 0.442 104 R N -1.685 118.985 120.500 0.284 0.000 2.073 104 R HA -0.164 4.175 4.340 -0.001 0.000 0.234 104 R C 2.264 178.644 176.300 0.133 0.000 1.134 104 R CA 1.674 57.841 56.100 0.112 0.000 0.952 104 R CB -0.558 29.794 30.300 0.086 0.000 0.850 104 R HN 0.802 nan 8.270 nan 0.000 0.433 105 H N 0.953 120.105 119.070 0.138 0.000 2.352 105 H HA -0.112 4.444 4.556 -0.001 0.000 0.299 105 H C 2.103 177.554 175.328 0.204 0.000 1.097 105 H CA 1.751 57.893 56.048 0.156 0.000 1.311 105 H CB 0.080 29.969 29.762 0.211 0.000 1.377 105 H HN 0.100 nan 8.280 nan 0.000 0.504 106 Q N -0.064 119.862 119.800 0.210 0.000 2.061 106 Q HA -0.130 4.209 4.340 -0.001 0.000 0.204 106 Q C 2.653 178.827 176.000 0.289 0.000 0.984 106 Q CA 1.599 57.547 55.803 0.240 0.000 0.846 106 Q CB -0.478 28.486 28.738 0.377 0.000 0.902 106 Q HN 0.429 nan 8.270 nan 0.000 0.421 107 V N 1.216 121.253 119.914 0.206 0.000 2.255 107 V HA -0.291 3.828 4.120 -0.001 0.000 0.247 107 V C 2.457 178.601 176.094 0.084 0.000 1.051 107 V CA 1.947 64.337 62.300 0.150 0.000 1.018 107 V CB -1.185 30.647 31.823 0.016 0.000 0.641 107 V HN 0.368 nan 8.190 nan 0.000 0.445 108 A N -0.543 122.273 122.820 -0.005 0.000 1.908 108 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 108 A C 2.128 179.653 177.584 -0.098 0.000 1.181 108 A CA 2.248 54.250 52.037 -0.059 0.000 0.627 108 A CB -0.782 18.171 19.000 -0.079 0.000 0.818 108 A HN 0.546 nan 8.150 nan 0.000 0.445 109 F N -0.911 118.845 119.950 -0.323 0.000 2.069 109 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 109 F C 1.999 177.581 175.800 -0.363 0.000 1.113 109 F CA 1.916 59.658 58.000 -0.430 0.000 1.214 109 F CB -0.492 38.127 39.000 -0.635 0.000 0.978 109 F HN 0.394 nan 8.300 nan 0.000 0.474 110 W N 0.923 122.237 121.300 0.023 0.000 2.402 110 W HA -0.065 4.594 4.660 -0.001 0.000 0.286 110 W C 2.387 178.843 176.519 -0.104 0.000 1.221 110 W CA 1.133 58.444 57.345 -0.055 0.000 1.257 110 W CB -0.443 29.037 29.460 0.033 0.000 1.120 110 W HN 0.059 nan 8.180 nan 0.000 0.551 111 E N 0.196 120.453 120.200 0.094 0.000 2.051 111 E HA -0.250 4.099 4.350 -0.001 0.000 0.192 111 E C 2.048 178.639 176.600 -0.016 0.000 0.991 111 E CA 1.458 57.885 56.400 0.044 0.000 0.799 111 E CB -0.611 29.096 29.700 0.012 0.000 0.748 111 E HN 0.140 nan 8.360 nan 0.000 0.449 112 L N 1.168 122.322 121.223 -0.115 0.000 2.042 112 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 112 L C 2.210 179.007 176.870 -0.123 0.000 1.076 112 L CA 1.938 56.689 54.840 -0.148 0.000 0.749 112 L CB -0.758 41.154 42.059 -0.245 0.000 0.893 112 L HN 0.045 nan 8.230 nan 0.000 0.432 113 T N -0.031 114.374 114.554 -0.248 0.000 2.652 113 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 113 T C 1.958 176.734 174.700 0.127 0.000 1.039 113 T CA 2.063 64.093 62.100 -0.117 0.000 1.153 113 T CB -0.408 68.337 68.868 -0.205 0.000 0.863 113 T HN 0.312 nan 8.240 nan 0.000 0.428 114 L N 0.663 121.967 121.223 0.136 0.000 2.017 114 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 114 L C 2.590 179.556 176.870 0.161 0.000 1.073 114 L CA 1.541 56.488 54.840 0.179 0.000 0.745 114 L CB -0.499 41.673 42.059 0.189 0.000 0.894 114 L HN 0.255 nan 8.230 nan 0.000 0.432 115 D N -0.977 119.491 120.400 0.114 0.000 2.117 115 D HA -0.266 4.373 4.640 -0.001 0.000 0.197 115 D C 2.136 178.498 176.300 0.105 0.000 0.987 115 D CA 1.424 55.477 54.000 0.089 0.000 0.829 115 D CB -0.006 40.824 40.800 0.050 0.000 0.961 115 D HN 0.351 nan 8.370 nan 0.000 0.460 116 H N -1.597 117.469 119.070 -0.006 0.000 2.326 116 H HA -0.144 4.411 4.556 -0.001 0.000 0.301 116 H C 1.983 177.302 175.328 -0.014 0.000 1.081 116 H CA 1.119 57.149 56.048 -0.029 0.000 1.334 116 H CB -0.252 29.481 29.762 -0.047 0.000 1.385 116 H HN 0.219 nan 8.280 nan 0.000 0.504 117 F N 1.980 121.822 119.950 -0.180 0.000 2.126 117 F HA -0.240 4.287 4.527 -0.001 0.000 0.299 117 F C 2.536 178.126 175.800 -0.350 0.000 1.096 117 F CA 1.833 59.658 58.000 -0.292 0.000 1.255 117 F CB -0.289 38.643 39.000 -0.113 0.000 0.997 117 F HN 0.245 nan 8.300 nan 0.000 0.479 118 Q N -0.343 119.325 119.800 -0.220 0.000 2.079 118 Q HA -0.174 4.165 4.340 -0.001 0.000 0.200 118 Q C 2.262 178.122 176.000 -0.232 0.000 0.974 118 Q CA 1.674 57.297 55.803 -0.300 0.000 0.840 118 Q CB -0.252 28.459 28.738 -0.046 0.000 0.898 118 Q HN 0.394 nan 8.270 nan 0.000 0.430 119 R N 0.144 120.562 120.500 -0.136 0.000 2.189 119 R HA -0.022 4.317 4.340 -0.001 0.000 0.223 119 R C 1.504 177.708 176.300 -0.160 0.000 1.092 119 R CA 0.722 56.766 56.100 -0.094 0.000 0.989 119 R CB 0.030 30.329 30.300 -0.002 0.000 0.876 119 R HN 0.220 nan 8.270 nan 0.000 0.457 120 L N 0.116 121.167 121.223 -0.286 0.000 2.611 120 L HA 0.144 4.483 4.340 -0.001 0.000 0.229 120 L C 0.195 176.834 176.870 -0.384 0.000 1.137 120 L CA -0.081 54.560 54.840 -0.332 0.000 0.901 120 L CB 0.241 42.026 42.059 -0.455 0.000 1.098 120 L HN 0.070 nan 8.230 nan 0.000 0.456 121 S N 0.332 115.793 115.700 -0.400 0.000 3.521 121 S HA -0.218 4.251 4.470 -0.001 0.000 0.328 121 S C 1.339 175.580 174.600 -0.598 0.000 1.165 121 S CA 0.614 58.580 58.200 -0.389 0.000 0.941 121 S CB -1.573 61.489 63.200 -0.229 0.000 0.951 121 S HN 0.869 nan 8.310 nan 0.000 0.539 122 G N 0.863 109.017 108.800 -1.076 0.000 2.233 122 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.270 122 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.270 122 G C -0.332 174.120 174.900 -0.747 0.000 1.011 122 G CA 0.503 44.565 45.100 -1.729 0.000 0.762 122 G HN 0.708 nan 8.290 nan 0.000 0.511 123 D N -0.182 119.920 120.400 -0.496 0.000 2.477 123 D HA 0.459 5.098 4.640 -0.001 0.000 0.239 123 D C 1.571 177.727 176.300 -0.240 0.000 1.102 123 D CA -0.727 53.109 54.000 -0.273 0.000 0.901 123 D CB 0.599 41.274 40.800 -0.210 0.000 1.026 123 D HN -0.034 nan 8.370 nan 0.000 0.515 124 L N 3.110 124.226 121.223 -0.178 0.000 2.093 124 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 124 L C 2.503 179.323 176.870 -0.084 0.000 1.085 124 L CA 0.955 55.689 54.840 -0.177 0.000 0.755 124 L CB -0.433 41.599 42.059 -0.045 0.000 0.904 124 L HN 0.314 nan 8.230 nan 0.000 0.435 125 V N -0.333 119.579 119.914 -0.004 0.000 2.392 125 V HA -0.317 3.803 4.120 -0.001 0.000 0.249 125 V C 2.683 178.841 176.094 0.106 0.000 1.059 125 V CA 1.646 63.998 62.300 0.087 0.000 1.051 125 V CB -1.159 30.544 31.823 -0.200 0.000 0.658 125 V HN 0.503 nan 8.190 nan 0.000 0.455 126 A N -0.068 122.735 122.820 -0.029 0.000 1.933 126 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 126 A C 2.424 179.984 177.584 -0.040 0.000 1.175 126 A CA 2.016 54.039 52.037 -0.023 0.000 0.628 126 A CB -0.711 18.242 19.000 -0.079 0.000 0.814 126 A HN 0.568 nan 8.150 nan 0.000 0.444 127 A N -1.145 121.588 122.820 -0.145 0.000 1.898 127 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 127 A C 2.009 179.473 177.584 -0.200 0.000 1.181 127 A CA 1.360 53.264 52.037 -0.222 0.000 0.620 127 A CB -0.757 18.019 19.000 -0.373 0.000 0.819 127 A HN 0.505 nan 8.150 nan 0.000 0.442 128 F N -0.549 119.392 119.950 -0.015 0.000 2.186 128 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 128 F C 2.551 178.282 175.800 -0.116 0.000 1.090 128 F CA 1.448 59.414 58.000 -0.057 0.000 1.307 128 F CB -0.094 38.878 39.000 -0.046 0.000 1.019 128 F HN 0.155 nan 8.300 nan 0.000 0.489 129 R N 1.161 121.753 120.500 0.154 0.000 2.081 129 R HA -0.212 4.127 4.340 -0.001 0.000 0.235 129 R C 2.290 178.597 176.300 0.011 0.000 1.131 129 R CA 1.771 57.923 56.100 0.086 0.000 0.960 129 R CB -0.289 30.173 30.300 0.269 0.000 0.856 129 R HN 0.215 nan 8.270 nan 0.000 0.436 130 K N -0.108 120.296 120.400 0.006 0.000 2.057 130 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 130 K C 1.921 178.506 176.600 -0.026 0.000 1.049 130 K CA 1.450 57.727 56.287 -0.016 0.000 0.931 130 K CB -0.167 32.313 32.500 -0.033 0.000 0.714 130 K HN 0.229 nan 8.250 nan 0.000 0.440 131 A N 1.556 124.359 122.820 -0.027 0.000 1.902 131 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 131 A C 2.117 179.668 177.584 -0.056 0.000 1.181 131 A CA 1.695 53.715 52.037 -0.028 0.000 0.623 131 A CB -0.630 18.376 19.000 0.009 0.000 0.818 131 A HN 0.477 nan 8.150 nan 0.000 0.443 132 E N 0.113 120.266 120.200 -0.080 0.000 2.077 132 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 132 E C 1.922 178.482 176.600 -0.065 0.000 0.989 132 E CA 1.573 57.906 56.400 -0.111 0.000 0.800 132 E CB -0.268 29.318 29.700 -0.190 0.000 0.746 132 E HN 0.765 nan 8.360 nan 0.000 0.452 133 E N -0.794 119.379 120.200 -0.045 0.000 2.118 133 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 133 E C 1.827 178.416 176.600 -0.018 0.000 0.992 133 E CA 1.142 57.530 56.400 -0.020 0.000 0.804 133 E CB -0.308 29.387 29.700 -0.008 0.000 0.741 133 E HN 0.322 nan 8.360 nan 0.000 0.458 134 G N -0.861 107.924 108.800 -0.025 0.000 2.650 134 G HA2 0.027 3.986 3.960 -0.001 0.000 0.214 134 G HA3 0.027 3.986 3.960 -0.001 0.000 0.214 134 G C 1.118 176.005 174.900 -0.023 0.000 1.136 134 G CA 0.454 45.542 45.100 -0.020 0.000 0.789 134 G HN 0.521 nan 8.290 nan 0.000 0.536 135 G N -0.420 108.358 108.800 -0.036 0.000 2.176 135 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.253 135 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.253 135 G C 1.205 176.069 174.900 -0.059 0.000 0.979 135 G CA 0.618 45.695 45.100 -0.039 0.000 0.641 135 G HN 0.432 nan 8.290 nan 0.000 0.530 136 Q N -0.689 119.069 119.800 -0.070 0.000 2.364 136 Q HA 0.310 4.650 4.340 -0.001 0.000 0.207 136 Q C 1.072 176.929 176.000 -0.239 0.000 0.970 136 Q CA 1.463 57.214 55.803 -0.087 0.000 0.888 136 Q CB 0.328 29.040 28.738 -0.044 0.000 0.951 136 Q HN 1.006 nan 8.270 nan 0.000 0.469 137 V N -0.264 119.484 119.914 -0.278 0.000 3.147 137 V HA 0.254 4.373 4.120 -0.001 0.000 0.299 137 V C -1.839 174.100 176.094 -0.259 0.000 1.302 137 V CA -0.980 61.039 62.300 -0.467 0.000 1.015 137 V CB 2.695 34.096 31.823 -0.702 0.000 1.086 137 V HN 0.175 nan 8.190 nan 0.000 0.437 138 E N 4.221 124.293 120.200 -0.214 0.000 2.166 138 E HA 0.599 4.948 4.350 -0.001 0.000 0.275 138 E C -1.578 174.985 176.600 -0.062 0.000 0.941 138 E CA -0.648 55.708 56.400 -0.073 0.000 0.784 138 E CB 1.623 31.338 29.700 0.025 0.000 1.115 138 E HN 0.666 nan 8.360 nan 0.000 0.399 139 L N 6.289 127.493 121.223 -0.033 0.000 2.295 139 L HA 0.521 4.860 4.340 -0.001 0.000 0.285 139 L C 0.142 177.160 176.870 0.247 0.000 1.035 139 L CA -0.809 54.026 54.840 -0.009 0.000 0.806 139 L CB 1.040 42.895 42.059 -0.340 0.000 1.214 139 L HN 0.568 nan 8.230 nan 0.000 0.426 140 I N -1.225 119.483 120.570 0.229 0.000 2.846 140 I HA 0.690 4.859 4.170 -0.001 0.000 0.307 140 I C -0.263 175.964 176.117 0.184 0.000 1.053 140 I CA -0.414 60.985 61.300 0.164 0.000 1.050 140 I CB 2.350 40.469 38.000 0.197 0.000 1.239 140 I HN 0.438 nan 8.210 nan 0.000 0.439 141 T N 1.116 115.666 114.554 -0.005 0.000 2.864 141 T HA 0.692 5.041 4.350 -0.001 0.000 0.276 141 T C -0.375 174.074 174.700 -0.419 0.000 1.006 141 T CA -0.174 61.928 62.100 0.002 0.000 0.970 141 T CB 1.555 70.456 68.868 0.056 0.000 1.420 141 T HN 0.906 nan 8.240 nan 0.000 0.601 142 S N -1.129 114.257 115.700 -0.524 0.000 2.724 142 S HA 0.381 4.850 4.470 -0.001 0.000 0.278 142 S C -1.490 172.871 174.600 -0.398 0.000 1.190 142 S CA -0.748 56.825 58.200 -1.045 0.000 0.860 142 S CB 0.299 63.278 63.200 -0.368 0.000 1.206 142 S HN 0.807 nan 8.310 nan 0.000 0.507 143 N N 1.029 119.635 118.700 -0.156 0.000 2.458 143 N HA 0.283 5.023 4.740 -0.001 0.000 0.258 143 N C 1.395 176.926 175.510 0.034 0.000 1.219 143 N CA 0.306 53.387 53.050 0.052 0.000 0.902 143 N CB 0.920 39.412 38.487 0.008 0.000 1.076 143 N HN 0.673 nan 8.380 nan 0.000 0.455 144 A N 2.454 125.268 122.820 -0.010 0.000 1.906 144 A HA -0.267 4.052 4.320 -0.001 0.000 0.222 144 A C 1.708 179.442 177.584 0.251 0.000 1.282 144 A CA 2.590 54.624 52.037 -0.005 0.000 0.675 144 A CB -0.928 17.846 19.000 -0.376 0.000 0.838 144 A HN 0.808 nan 8.150 nan 0.000 0.469 145 T N -6.433 108.235 114.554 0.191 0.000 3.266 145 T HA 0.343 4.693 4.350 -0.001 0.000 0.278 145 T C 0.285 175.119 174.700 0.223 0.000 1.010 145 T CA 0.665 62.917 62.100 0.253 0.000 0.909 145 T CB -0.219 68.781 68.868 0.220 0.000 1.122 145 T HN 0.700 nan 8.240 nan 0.000 0.536 146 H N 0.364 119.438 119.070 0.007 0.000 2.826 146 H HA -0.140 4.415 4.556 -0.001 0.000 0.306 146 H C 0.503 175.811 175.328 -0.034 0.000 1.235 146 H CA 0.601 56.590 56.048 -0.097 0.000 1.150 146 H CB -1.231 28.326 29.762 -0.341 0.000 1.409 146 H HN 0.762 nan 8.280 nan 0.000 0.420 147 G N 0.852 109.660 108.800 0.013 0.000 2.544 147 G HA2 0.167 4.126 3.960 -0.001 0.000 0.242 147 G HA3 0.167 4.126 3.960 -0.001 0.000 0.242 147 G C -0.531 174.375 174.900 0.011 0.000 1.247 147 G CA -0.406 44.734 45.100 0.066 0.000 0.840 147 G HN 0.416 nan 8.290 nan 0.000 0.578 148 Y N 2.437 122.747 120.300 0.015 0.000 2.616 148 Y HA 0.183 4.732 4.550 -0.001 0.000 0.350 148 Y C 1.903 177.750 175.900 -0.089 0.000 1.119 148 Y CA -0.101 57.943 58.100 -0.094 0.000 1.467 148 Y CB 0.096 38.592 38.460 0.061 0.000 1.287 148 Y HN 0.541 nan 8.280 nan 0.000 0.504 149 S N 5.279 120.748 115.700 -0.386 0.000 2.393 149 S HA -0.255 4.214 4.470 -0.001 0.000 0.235 149 S C -0.557 173.806 174.600 -0.396 0.000 1.061 149 S CA 2.309 60.299 58.200 -0.350 0.000 1.129 149 S CB -1.119 61.856 63.200 -0.375 0.000 1.011 149 S HN 0.619 nan 8.310 nan 0.000 0.436 150 P HA -0.024 nan 4.420 nan 0.000 0.218 150 P C 1.072 178.152 177.300 -0.367 0.000 1.148 150 P CA 0.961 63.773 63.100 -0.481 0.000 0.822 150 P CB -0.057 31.316 31.700 -0.546 0.000 0.784 151 L N -2.179 118.891 121.223 -0.255 0.000 2.567 151 L HA 0.113 4.453 4.340 -0.001 0.000 0.225 151 L C 0.845 177.742 176.870 0.045 0.000 1.119 151 L CA -0.280 54.447 54.840 -0.189 0.000 0.871 151 L CB -0.385 41.252 42.059 -0.704 0.000 1.036 151 L HN -0.056 nan 8.230 nan 0.000 0.459 152 L N 0.410 121.695 121.223 0.103 0.000 2.540 152 L HA 0.008 4.347 4.340 -0.001 0.000 0.276 152 L C 1.677 178.610 176.870 0.105 0.000 1.212 152 L CA 0.080 55.096 54.840 0.294 0.000 0.893 152 L CB 0.554 42.701 42.059 0.147 0.000 1.138 152 L HN 0.124 nan 8.230 nan 0.000 0.491 153 G N 2.974 111.996 108.800 0.370 0.000 2.443 153 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.219 153 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.219 153 G C 0.081 174.763 174.900 -0.364 0.000 1.131 153 G CA 0.427 45.457 45.100 -0.117 0.000 0.775 153 G HN 0.441 nan 8.290 nan 0.000 0.547 154 Y N -0.236 120.038 120.300 -0.043 0.000 2.446 154 Y HA 0.362 4.912 4.550 -0.001 0.000 0.345 154 Y C 0.611 176.460 175.900 -0.085 0.000 0.984 154 Y CA -1.553 56.523 58.100 -0.040 0.000 1.058 154 Y CB 1.740 40.239 38.460 0.065 0.000 1.220 154 Y HN -0.105 nan 8.280 nan 0.000 0.455 155 D N 1.190 121.592 120.400 0.003 0.000 2.144 155 D HA -0.124 4.515 4.640 -0.001 0.000 0.200 155 D C 1.133 177.440 176.300 0.011 0.000 0.978 155 D CA 1.456 55.419 54.000 -0.062 0.000 0.833 155 D CB 0.185 40.919 40.800 -0.110 0.000 0.961 155 D HN 0.738 nan 8.370 nan 0.000 0.470 156 E N 0.965 121.214 120.200 0.082 0.000 2.150 156 E HA -0.066 4.283 4.350 -0.001 0.000 0.193 156 E C 2.007 178.604 176.600 -0.005 0.000 0.985 156 E CA 0.961 57.400 56.400 0.064 0.000 0.814 156 E CB -0.135 29.646 29.700 0.135 0.000 0.752 156 E HN 0.221 nan 8.360 nan 0.000 0.466 157 A N 0.586 123.474 122.820 0.113 0.000 1.897 157 A HA -0.075 4.244 4.320 -0.001 0.000 0.215 157 A C 2.085 179.666 177.584 -0.005 0.000 1.181 157 A CA 0.880 52.982 52.037 0.109 0.000 0.620 157 A CB -0.495 18.668 19.000 0.271 0.000 0.821 157 A HN 0.267 nan 8.150 nan 0.000 0.443 158 L N -0.851 120.376 121.223 0.006 0.000 2.093 158 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 158 L C 2.201 179.029 176.870 -0.070 0.000 1.085 158 L CA 1.840 56.649 54.840 -0.051 0.000 0.755 158 L CB -0.738 41.262 42.059 -0.098 0.000 0.904 158 L HN 0.688 nan 8.230 nan 0.000 0.435 159 W N 0.293 121.440 121.300 -0.255 0.000 2.358 159 W HA -0.259 4.400 4.660 -0.001 0.000 0.303 159 W C 2.146 178.473 176.519 -0.320 0.000 1.208 159 W CA 1.817 58.982 57.345 -0.300 0.000 1.274 159 W CB -0.131 29.133 29.460 -0.328 0.000 1.138 159 W HN 0.359 nan 8.180 nan 0.000 0.515 160 A N 0.574 123.170 122.820 -0.373 0.000 1.902 160 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 160 A C 1.964 179.302 177.584 -0.409 0.000 1.181 160 A CA 1.651 53.364 52.037 -0.541 0.000 0.623 160 A CB -1.035 17.451 19.000 -0.858 0.000 0.818 160 A HN 0.372 nan 8.150 nan 0.000 0.443 161 Q N -0.336 119.300 119.800 -0.274 0.000 2.020 161 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 161 Q C 2.222 178.099 176.000 -0.205 0.000 0.982 161 Q CA 1.681 57.369 55.803 -0.192 0.000 0.838 161 Q CB -0.389 28.296 28.738 -0.089 0.000 0.899 161 Q HN 0.779 nan 8.270 nan 0.000 0.423 162 I N 0.651 121.067 120.570 -0.257 0.000 2.142 162 I HA -0.268 3.902 4.170 -0.001 0.000 0.240 162 I C 2.483 178.363 176.117 -0.396 0.000 1.078 162 I CA 1.027 62.163 61.300 -0.275 0.000 1.343 162 I CB -0.280 37.439 38.000 -0.469 0.000 1.046 162 I HN 0.069 nan 8.210 nan 0.000 0.405 163 K N 0.477 120.459 120.400 -0.696 0.000 2.057 163 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 163 K C 2.124 178.473 176.600 -0.419 0.000 1.049 163 K CA 1.637 57.502 56.287 -0.702 0.000 0.931 163 K CB -0.544 31.332 32.500 -1.041 0.000 0.714 163 K HN 0.311 nan 8.250 nan 0.000 0.440 164 T N -0.038 114.274 114.554 -0.403 0.000 2.833 164 T HA -0.094 4.255 4.350 -0.001 0.000 0.269 164 T C 1.800 176.344 174.700 -0.260 0.000 1.054 164 T CA 1.388 63.265 62.100 -0.372 0.000 1.135 164 T CB -0.272 68.264 68.868 -0.554 0.000 0.869 164 T HN 0.425 nan 8.240 nan 0.000 0.466 165 G N 0.997 109.690 108.800 -0.178 0.000 2.404 165 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.215 165 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.215 165 G C 1.682 176.598 174.900 0.026 0.000 1.174 165 G CA 0.659 45.746 45.100 -0.021 0.000 0.780 165 G HN 0.426 nan 8.290 nan 0.000 0.537 166 V N 1.202 121.093 119.914 -0.039 0.000 2.343 166 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 166 V C 3.132 179.229 176.094 0.005 0.000 1.051 166 V CA 2.218 64.496 62.300 -0.037 0.000 1.036 166 V CB -0.541 31.195 31.823 -0.145 0.000 0.654 166 V HN 0.352 nan 8.190 nan 0.000 0.451 167 S N -0.259 115.400 115.700 -0.068 0.000 2.356 167 S HA -0.213 4.256 4.470 -0.001 0.000 0.223 167 S C 2.095 176.665 174.600 -0.051 0.000 1.032 167 S CA 2.004 60.168 58.200 -0.061 0.000 1.005 167 S CB -0.473 62.664 63.200 -0.105 0.000 0.867 167 S HN 0.684 nan 8.310 nan 0.000 0.449 168 T N 0.858 115.385 114.554 -0.045 0.000 2.746 168 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 168 T C 1.507 176.101 174.700 -0.177 0.000 1.039 168 T CA 1.473 63.498 62.100 -0.124 0.000 1.142 168 T CB -0.483 68.419 68.868 0.056 0.000 0.866 168 T HN 0.515 nan 8.240 nan 0.000 0.444 169 Y N 2.196 122.449 120.300 -0.079 0.000 2.097 169 Y HA -0.211 4.338 4.550 -0.001 0.000 0.282 169 Y C 2.595 178.491 175.900 -0.007 0.000 1.152 169 Y CA 1.439 59.561 58.100 0.038 0.000 1.136 169 Y CB -0.079 38.485 38.460 0.172 0.000 0.975 169 Y HN 0.020 nan 8.280 nan 0.000 0.498 170 R N -0.170 120.474 120.500 0.240 0.000 2.083 170 R HA -0.221 4.118 4.340 -0.001 0.000 0.237 170 R C 2.465 178.748 176.300 -0.028 0.000 1.137 170 R CA 1.773 57.957 56.100 0.140 0.000 0.951 170 R CB -0.521 29.834 30.300 0.092 0.000 0.851 170 R HN 0.345 nan 8.270 nan 0.000 0.434 171 R N 0.333 120.754 120.500 -0.131 0.000 2.091 171 R HA -0.179 4.160 4.340 -0.001 0.000 0.238 171 R C 1.780 177.958 176.300 -0.205 0.000 1.136 171 R CA 1.876 57.863 56.100 -0.189 0.000 0.959 171 R CB -0.153 29.974 30.300 -0.288 0.000 0.856 171 R HN 0.493 nan 8.270 nan 0.000 0.437 172 H N -2.317 116.526 119.070 -0.378 0.000 2.448 172 H HA 0.024 4.579 4.556 -0.001 0.000 0.292 172 H C 0.919 175.844 175.328 -0.672 0.000 1.035 172 H CA 1.107 56.769 56.048 -0.645 0.000 1.349 172 H CB 0.325 29.441 29.762 -1.077 0.000 1.425 172 H HN 0.235 nan 8.280 nan 0.000 0.539 173 F N -1.075 118.837 119.950 -0.064 0.000 2.728 173 F HA 0.408 4.934 4.527 -0.001 0.000 0.314 173 F C 1.272 177.040 175.800 -0.054 0.000 1.094 173 F CA 0.118 58.039 58.000 -0.132 0.000 1.217 173 F CB 0.907 39.675 39.000 -0.387 0.000 1.056 173 F HN -0.002 nan 8.300 nan 0.000 0.577 174 A N 1.036 123.919 122.820 0.105 0.000 2.822 174 A HA -0.243 4.076 4.320 -0.001 0.000 0.287 174 A C 0.133 177.794 177.584 0.128 0.000 1.479 174 A CA 1.143 53.237 52.037 0.094 0.000 0.779 174 A CB -2.206 16.837 19.000 0.071 0.000 1.022 174 A HN 0.496 nan 8.150 nan 0.000 0.532 175 K N -0.652 119.867 120.400 0.198 0.000 2.555 175 K HA 0.470 4.789 4.320 -0.001 0.000 0.279 175 K C -1.547 175.264 176.600 0.351 0.000 0.986 175 K CA -1.046 55.379 56.287 0.231 0.000 0.880 175 K CB 1.385 34.026 32.500 0.234 0.000 1.474 175 K HN 0.271 nan 8.250 nan 0.000 0.433 176 D N 2.854 123.395 120.400 0.235 0.000 2.175 176 D HA 0.283 4.922 4.640 -0.001 0.000 0.248 176 D C -2.243 174.072 176.300 0.024 0.000 1.047 176 D CA -1.176 52.908 54.000 0.141 0.000 0.883 176 D CB 1.486 42.310 40.800 0.040 0.000 1.180 176 D HN 0.202 nan 8.370 nan 0.000 0.438 177 P HA 0.153 nan 4.420 nan 0.000 0.288 177 P C 0.291 177.390 177.300 -0.334 0.000 1.267 177 P CA -0.344 62.367 63.100 -0.647 0.000 0.815 177 P CB 1.428 32.317 31.700 -1.352 0.000 0.989 178 T N -1.041 113.352 114.554 -0.269 0.000 2.990 178 T HA 0.263 4.612 4.350 -0.001 0.000 0.249 178 T C 1.042 175.270 174.700 -0.787 0.000 1.039 178 T CA 0.084 61.975 62.100 -0.348 0.000 1.036 178 T CB -0.303 68.492 68.868 -0.121 0.000 0.994 178 T HN 0.473 nan 8.240 nan 0.000 0.489 179 G N 0.606 109.055 108.800 -0.584 0.000 2.389 179 G HA2 0.602 4.561 3.960 -0.001 0.000 0.328 179 G HA3 0.602 4.561 3.960 -0.001 0.000 0.328 179 G C -1.794 173.021 174.900 -0.143 0.000 1.133 179 G CA -0.772 43.993 45.100 -0.559 0.000 0.891 179 G HN 0.300 nan 8.290 nan 0.000 0.485 180 F N 1.465 121.259 119.950 -0.259 0.000 2.574 180 F HA 0.495 5.021 4.527 -0.001 0.000 0.313 180 F C -0.978 174.833 175.800 0.019 0.000 1.130 180 F CA -1.486 56.436 58.000 -0.130 0.000 0.936 180 F CB 1.874 40.725 39.000 -0.248 0.000 1.219 180 F HN 0.539 nan 8.300 nan 0.000 0.445 181 W N 9.294 130.362 121.300 -0.386 0.000 2.316 181 W HA 0.441 5.101 4.660 -0.001 0.000 0.308 181 W C -1.687 174.596 176.519 -0.394 0.000 1.106 181 W CA -0.812 56.397 57.345 -0.228 0.000 1.262 181 W CB 1.086 30.390 29.460 -0.260 0.000 1.233 181 W HN 0.408 nan 8.180 nan 0.000 0.447 182 L N 9.422 130.226 121.223 -0.698 0.000 2.369 182 L HA 0.166 4.505 4.340 -0.001 0.000 0.279 182 L C -1.654 174.685 176.870 -0.886 0.000 1.108 182 L CA -1.711 52.801 54.840 -0.546 0.000 0.852 182 L CB 0.507 42.294 42.059 -0.453 0.000 1.169 182 L HN 0.183 nan 8.230 nan 0.000 0.452 183 P HA -0.046 nan 4.420 nan 0.000 0.261 183 P C -0.403 176.536 177.300 -0.602 0.000 1.173 183 P CA 0.382 63.040 63.100 -0.737 0.000 0.760 183 P CB 0.348 31.357 31.700 -1.152 0.000 0.783 187 Y N 2.062 122.200 120.300 -0.270 0.000 2.536 187 Y HA 0.850 5.399 4.550 -0.001 0.000 0.347 187 Y C -0.170 175.642 175.900 -0.147 0.000 1.000 187 Y CA -0.878 57.081 58.100 -0.236 0.000 1.051 187 Y CB 1.669 39.993 38.460 -0.225 0.000 1.259 187 Y HN 0.849 nan 8.280 nan 0.000 0.468 188 R N 6.732 126.523 120.500 -1.182 0.000 2.510 188 R HA 0.449 4.788 4.340 -0.001 0.000 0.287 188 R C -3.259 172.381 176.300 -1.100 0.000 1.084 188 R CA -1.985 53.631 56.100 -0.807 0.000 0.934 188 R CB 2.321 32.341 30.300 -0.468 0.000 1.201 188 R HN 0.479 nan 8.270 nan 0.000 0.431 189 P HA 0.131 nan 4.420 nan 0.000 0.279 189 P C -1.159 176.026 177.300 -0.191 0.000 1.276 189 P CA -0.575 62.364 63.100 -0.268 0.000 0.801 189 P CB 1.013 32.748 31.700 0.058 0.000 1.127 190 K N -0.113 120.220 120.400 -0.112 0.000 2.380 190 K HA 0.412 4.732 4.320 -0.001 0.000 0.267 190 K C 0.223 176.790 176.600 -0.055 0.000 0.990 190 K CA 0.614 56.845 56.287 -0.094 0.000 0.946 190 K CB -0.515 31.946 32.500 -0.065 0.000 0.937 190 K HN 0.870 nan 8.250 nan 0.000 0.491 191 G N 2.566 111.342 108.800 -0.041 0.000 2.359 191 G HA2 0.011 3.970 3.960 -0.001 0.000 0.314 191 G HA3 0.011 3.970 3.960 -0.001 0.000 0.314 191 G C -3.115 171.802 174.900 0.029 0.000 1.364 191 G CA -1.251 43.845 45.100 -0.006 0.000 0.978 191 G HN 0.465 nan 8.290 nan 0.000 0.615 192 P HA 0.303 nan 4.420 nan 0.000 0.263 192 P C -0.883 176.497 177.300 0.134 0.000 1.175 192 P CA 0.649 63.782 63.100 0.055 0.000 0.761 192 P CB 0.404 32.114 31.700 0.016 0.000 0.794 193 W N 4.519 125.766 121.300 -0.088 0.000 3.097 193 W HA 0.463 5.122 4.660 -0.001 0.000 0.335 193 W C -1.209 175.244 176.519 -0.110 0.000 1.114 193 W CA -0.743 56.541 57.345 -0.102 0.000 1.231 193 W CB 1.601 30.983 29.460 -0.130 0.000 1.388 193 W HN 0.097 nan 8.180 nan 0.000 0.485 194 K N 6.885 126.772 120.400 -0.855 0.000 2.376 194 K HA 0.532 4.851 4.320 -0.001 0.000 0.257 194 K C -2.492 173.300 176.600 -1.345 0.000 0.939 194 K CA -1.766 54.032 56.287 -0.815 0.000 0.809 194 K CB 1.687 33.925 32.500 -0.437 0.000 1.121 194 K HN 0.113 nan 8.250 nan 0.000 0.425 195 P HA 0.006 nan 4.420 nan 0.000 0.265 195 P C -2.335 174.679 177.300 -0.477 0.000 1.187 195 P CA -0.841 61.664 63.100 -0.992 0.000 0.766 195 P CB 0.357 31.728 31.700 -0.549 0.000 0.820 196 P HA -0.010 nan 4.420 nan 0.000 0.224 196 P C -0.250 177.078 177.300 0.046 0.000 1.157 196 P CA 0.955 64.021 63.100 -0.056 0.000 0.799 196 P CB 0.416 32.117 31.700 0.003 0.000 0.809 197 V N -1.258 118.757 119.914 0.168 0.000 3.130 197 V HA 0.195 4.314 4.120 -0.001 0.000 0.310 197 V C 0.082 176.286 176.094 0.184 0.000 1.158 197 V CA -1.213 61.203 62.300 0.195 0.000 1.029 197 V CB 2.344 34.333 31.823 0.277 0.000 1.057 197 V HN -0.170 nan 8.190 nan 0.000 0.436 198 E N 0.728 121.012 120.200 0.140 0.000 2.467 198 E HA 0.369 4.719 4.350 -0.001 0.000 0.264 198 E C 0.819 177.522 176.600 0.172 0.000 1.020 198 E CA 1.282 57.747 56.400 0.108 0.000 0.945 198 E CB 0.545 30.298 29.700 0.089 0.000 0.942 198 E HN 1.000 nan 8.360 nan 0.000 0.449 199 G N 2.770 111.633 108.800 0.105 0.000 1.828 199 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.128 199 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.128 199 G C -2.255 172.690 174.900 0.075 0.000 2.299 199 G CA -0.768 44.425 45.100 0.156 0.000 1.389 199 G HN 0.503 nan 8.290 nan 0.000 0.437 200 P HA 0.396 nan 4.420 nan 0.000 0.268 200 P C -2.521 174.660 177.300 -0.199 0.000 1.208 200 P CA -0.438 62.463 63.100 -0.332 0.000 0.777 200 P CB 0.371 31.761 31.700 -0.517 0.000 0.875 201 P HA 0.128 nan 4.420 nan 0.000 0.279 201 P C -0.603 176.658 177.300 -0.065 0.000 1.239 201 P CA -0.259 62.789 63.100 -0.086 0.000 0.789 201 P CB 0.447 32.117 31.700 -0.049 0.000 0.933 202 E N 2.130 122.288 120.200 -0.069 0.000 2.227 202 E HA 0.633 4.982 4.350 -0.001 0.000 0.282 202 E C 0.043 176.632 176.600 -0.017 0.000 1.015 202 E CA -0.753 55.606 56.400 -0.068 0.000 0.823 202 E CB 1.245 30.868 29.700 -0.129 0.000 1.081 202 E HN 0.591 nan 8.360 nan 0.000 0.396 203 G N 0.888 109.706 108.800 0.029 0.000 2.321 203 G HA2 0.217 4.176 3.960 -0.001 0.000 0.296 203 G HA3 0.217 4.176 3.960 -0.001 0.000 0.296 203 G C -1.266 173.664 174.900 0.049 0.000 1.287 203 G CA -0.640 44.473 45.100 0.023 0.000 0.846 203 G HN 0.351 nan 8.290 nan 0.000 0.508 204 V N 1.189 121.113 119.914 0.018 0.000 2.521 204 V HA 0.403 4.522 4.120 -0.001 0.000 0.286 204 V C 0.566 176.652 176.094 -0.013 0.000 1.034 204 V CA 0.206 62.512 62.300 0.009 0.000 1.045 204 V CB 0.601 32.418 31.823 -0.009 0.000 0.974 204 V HN 0.607 nan 8.190 nan 0.000 0.480 205 R N 6.188 126.668 120.500 -0.033 0.000 2.740 205 R HA 0.505 4.844 4.340 -0.001 0.000 0.282 205 R C -2.632 173.590 176.300 -0.130 0.000 0.969 205 R CA -1.883 54.153 56.100 -0.107 0.000 0.918 205 R CB 2.244 32.423 30.300 -0.202 0.000 1.175 205 R HN 0.449 nan 8.270 nan 0.000 0.464 206 P HA 0.038 nan 4.420 nan 0.000 0.272 206 P C -0.141 177.043 177.300 -0.193 0.000 1.240 206 P CA -0.236 62.778 63.100 -0.144 0.000 0.791 206 P CB 0.610 32.224 31.700 -0.143 0.000 0.978 207 G N 0.112 108.808 108.800 -0.174 0.000 2.527 207 G HA2 0.212 4.171 3.960 -0.001 0.000 0.248 207 G HA3 0.212 4.171 3.960 -0.001 0.000 0.248 207 G C 1.264 176.007 174.900 -0.261 0.000 1.231 207 G CA -0.619 44.338 45.100 -0.238 0.000 0.838 207 G HN 0.276 nan 8.290 nan 0.000 0.570 208 V N 1.385 121.065 119.914 -0.390 0.000 2.392 208 V HA -0.200 3.919 4.120 -0.001 0.000 0.249 208 V C 2.668 178.647 176.094 -0.192 0.000 1.059 208 V CA 2.396 64.505 62.300 -0.317 0.000 1.051 208 V CB -0.480 31.109 31.823 -0.390 0.000 0.658 208 V HN 0.940 nan 8.190 nan 0.000 0.455 209 D N -0.064 120.305 120.400 -0.053 0.000 2.219 209 D HA -0.224 4.416 4.640 -0.001 0.000 0.205 209 D C 1.686 177.922 176.300 -0.106 0.000 0.970 209 D CA 1.251 55.222 54.000 -0.049 0.000 0.851 209 D CB -0.187 40.647 40.800 0.056 0.000 0.943 209 D HN 0.595 nan 8.370 nan 0.000 0.488 210 E N 0.769 120.908 120.200 -0.102 0.000 2.072 210 E HA -0.063 4.286 4.350 -0.001 0.000 0.191 210 E C 2.574 179.108 176.600 -0.111 0.000 0.985 210 E CA 0.522 56.859 56.400 -0.104 0.000 0.801 210 E CB -0.046 29.590 29.700 -0.107 0.000 0.750 210 E HN 0.369 nan 8.360 nan 0.000 0.452 211 L N 1.070 122.223 121.223 -0.116 0.000 2.093 211 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 211 L C 1.706 178.561 176.870 -0.026 0.000 1.085 211 L CA 0.432 55.264 54.840 -0.014 0.000 0.755 211 L CB -0.566 41.501 42.059 0.014 0.000 0.904 211 L HN 0.089 nan 8.230 nan 0.000 0.435 215 A N 0.927 123.783 122.820 0.059 0.000 2.278 215 A HA 0.462 4.781 4.320 -0.001 0.000 0.212 215 A C 1.391 178.891 177.584 -0.141 0.000 1.213 215 A CA 1.010 52.978 52.037 -0.114 0.000 0.840 215 A CB -0.030 18.744 19.000 -0.376 0.000 0.866 215 A HN 0.489 nan 8.150 nan 0.000 0.489 216 G N -0.912 107.824 108.800 -0.107 0.000 2.176 216 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.253 216 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.253 216 G C 0.029 174.827 174.900 -0.170 0.000 0.979 216 G CA 0.140 45.171 45.100 -0.115 0.000 0.641 216 G HN 0.308 nan 8.290 nan 0.000 0.530 217 I N 0.536 120.968 120.570 -0.229 0.000 2.474 217 I HA 0.334 4.503 4.170 -0.001 0.000 0.287 217 I C 1.548 177.490 176.117 -0.292 0.000 1.048 217 I CA -0.078 61.038 61.300 -0.307 0.000 1.383 217 I CB 1.169 38.946 38.000 -0.372 0.000 1.412 217 I HN 0.171 nan 8.210 nan 0.000 0.531 218 R N 4.776 125.045 120.500 -0.385 0.000 2.307 218 R HA 0.154 4.493 4.340 -0.001 0.000 0.200 218 R C -0.897 175.325 176.300 -0.130 0.000 0.893 218 R CA 0.307 56.280 56.100 -0.212 0.000 1.042 218 R CB 0.473 30.750 30.300 -0.038 0.000 1.059 218 R HN 0.688 nan 8.270 nan 0.000 0.530 219 Y N -3.647 116.545 120.300 -0.179 0.000 2.641 219 Y HA 0.648 5.197 4.550 -0.001 0.000 0.333 219 Y C -0.549 175.095 175.900 -0.426 0.000 1.174 219 Y CA -1.257 56.681 58.100 -0.272 0.000 1.057 219 Y CB 1.308 39.622 38.460 -0.244 0.000 1.322 219 Y HN -0.228 nan 8.280 nan 0.000 0.457 220 T N 0.497 114.779 114.554 -0.453 0.000 2.645 220 T HA 0.784 5.133 4.350 -0.001 0.000 0.300 220 T C -2.223 171.818 174.700 -1.099 0.000 1.210 220 T CA -0.831 60.786 62.100 -0.805 0.000 1.034 220 T CB 0.930 69.567 68.868 -0.386 0.000 1.537 220 T HN 0.548 nan 8.240 nan 0.000 0.492 221 F N 0.965 120.772 119.950 -0.237 0.000 2.563 221 F HA 0.778 5.304 4.527 -0.001 0.000 0.316 221 F C 0.046 175.581 175.800 -0.442 0.000 1.076 221 F CA -0.935 56.880 58.000 -0.307 0.000 0.921 221 F CB 1.983 40.800 39.000 -0.305 0.000 1.209 221 F HN 0.473 nan 8.300 nan 0.000 0.462 222 V N -2.132 117.662 119.914 -0.198 0.000 3.160 222 V HA 0.642 4.761 4.120 -0.001 0.000 0.310 222 V C -1.098 174.893 176.094 -0.172 0.000 1.181 222 V CA -0.812 61.326 62.300 -0.270 0.000 1.047 222 V CB 1.943 33.565 31.823 -0.335 0.000 1.068 222 V HN 0.677 nan 8.190 nan 0.000 0.441 223 D N 0.428 120.753 120.400 -0.126 0.000 2.358 223 D HA 0.562 5.201 4.640 -0.001 0.000 0.244 223 D C 1.218 177.486 176.300 -0.054 0.000 1.163 223 D CA 0.544 54.558 54.000 0.024 0.000 0.945 223 D CB 2.006 42.949 40.800 0.239 0.000 1.152 223 D HN 0.910 nan 8.370 nan 0.000 0.451 224 A N 2.465 125.309 122.820 0.040 0.000 1.892 224 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 224 A C 1.901 179.488 177.584 0.006 0.000 1.188 224 A CA 2.056 54.096 52.037 0.004 0.000 0.631 224 A CB -1.125 17.896 19.000 0.034 0.000 0.822 224 A HN 0.815 nan 8.150 nan 0.000 0.447 225 H N -0.418 118.643 119.070 -0.016 0.000 2.543 225 H HA 0.047 4.603 4.556 -0.001 0.000 0.286 225 H C 1.615 176.925 175.328 -0.031 0.000 1.037 225 H CA 1.237 57.278 56.048 -0.012 0.000 1.250 225 H CB -0.662 29.106 29.762 0.010 0.000 1.373 225 H HN 0.461 nan 8.280 nan 0.000 0.580 226 L N 1.253 122.188 121.223 -0.481 0.000 2.240 226 L HA -0.066 4.273 4.340 -0.001 0.000 0.211 226 L C 2.480 179.193 176.870 -0.260 0.000 1.106 226 L CA 1.064 55.672 54.840 -0.387 0.000 0.793 226 L CB 0.017 41.829 42.059 -0.411 0.000 0.927 226 L HN 0.309 nan 8.230 nan 0.000 0.446 227 V N -3.043 116.722 119.914 -0.247 0.000 3.621 227 V HA -0.009 4.111 4.120 -0.001 0.000 0.263 227 V C 1.463 177.508 176.094 -0.081 0.000 1.272 227 V CA 0.454 62.603 62.300 -0.250 0.000 1.080 227 V CB 0.101 31.631 31.823 -0.488 0.000 0.816 227 V HN 0.616 nan 8.190 nan 0.000 0.451 228 Q N 0.764 120.544 119.800 -0.033 0.000 2.139 228 Q HA 0.535 4.874 4.340 -0.001 0.000 0.219 228 Q C 0.971 176.998 176.000 0.047 0.000 0.805 228 Q CA 0.278 56.100 55.803 0.031 0.000 1.024 228 Q CB 0.763 29.533 28.738 0.053 0.000 1.163 228 Q HN 0.739 nan 8.270 nan 0.000 0.485 229 G N 0.805 109.629 108.800 0.040 0.000 2.622 229 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.272 229 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.272 229 G C 0.530 175.489 174.900 0.098 0.000 1.308 229 G CA 0.093 45.234 45.100 0.069 0.000 0.919 229 G HN 1.347 nan 8.290 nan 0.000 0.565 230 G N -1.995 106.853 108.800 0.080 0.000 2.693 230 G HA2 0.201 4.160 3.960 -0.001 0.000 0.226 230 G HA3 0.201 4.160 3.960 -0.001 0.000 0.226 230 G C -0.113 174.816 174.900 0.048 0.000 1.354 230 G CA 0.619 45.756 45.100 0.061 0.000 0.873 230 G HN 1.446 nan 8.290 nan 0.000 0.562 231 E N 1.832 122.040 120.200 0.014 0.000 2.373 231 E HA 0.342 4.692 4.350 -0.001 0.000 0.267 231 E C -1.373 175.169 176.600 -0.096 0.000 1.032 231 E CA -0.769 55.607 56.400 -0.040 0.000 0.889 231 E CB 0.960 30.645 29.700 -0.025 0.000 0.984 231 E HN 0.460 nan 8.360 nan 0.000 0.425 232 P HA 0.226 nan 4.420 nan 0.000 0.282 232 P C -0.121 177.087 177.300 -0.153 0.000 1.287 232 P CA -0.522 62.337 63.100 -0.402 0.000 0.792 232 P CB 0.867 32.106 31.700 -0.769 0.000 1.163 233 L N 0.795 121.961 121.223 -0.095 0.000 2.466 233 L HA 0.145 4.485 4.340 -0.001 0.000 0.248 233 L C 1.243 178.058 176.870 -0.093 0.000 1.240 233 L CA -0.219 54.578 54.840 -0.072 0.000 1.180 233 L CB -0.448 41.569 42.059 -0.069 0.000 1.413 233 L HN 0.415 nan 8.230 nan 0.000 0.406 244 V N 3.043 122.985 119.914 0.047 0.000 2.372 244 V HA 0.157 4.277 4.120 -0.001 0.000 0.261 244 V C 0.900 177.032 176.094 0.065 0.000 1.055 244 V CA -0.169 62.159 62.300 0.047 0.000 0.930 244 V CB 0.539 32.383 31.823 0.034 0.000 1.031 244 V HN 0.447 nan 8.190 nan 0.000 0.479 245 E N 2.755 122.998 120.200 0.070 0.000 2.371 245 E HA 0.263 4.612 4.350 -0.001 0.000 0.257 245 E C 0.367 177.029 176.600 0.103 0.000 1.134 245 E CA -0.227 56.227 56.400 0.090 0.000 0.919 245 E CB 1.161 30.914 29.700 0.089 0.000 1.025 245 E HN 0.662 nan 8.360 nan 0.000 0.438 246 S N 1.865 117.652 115.700 0.145 0.000 2.415 246 S HA 0.204 4.673 4.470 -0.001 0.000 0.313 246 S C 0.250 174.996 174.600 0.244 0.000 1.067 246 S CA -0.985 57.313 58.200 0.164 0.000 1.099 246 S CB 0.735 64.063 63.200 0.214 0.000 0.991 246 S HN 0.220 nan 8.310 nan 0.000 0.491 247 Q N 2.069 121.969 119.800 0.167 0.000 2.471 247 Q HA 0.158 4.497 4.340 -0.001 0.000 0.223 247 Q C 1.231 177.377 176.000 0.243 0.000 1.045 247 Q CA -0.208 55.707 55.803 0.186 0.000 0.956 247 Q CB 0.519 29.337 28.738 0.134 0.000 1.249 247 Q HN 0.926 nan 8.270 nan 0.000 0.549 248 E N 0.668 121.022 120.200 0.256 0.000 2.160 248 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 248 E C 1.569 178.304 176.600 0.227 0.000 0.991 248 E CA 1.080 57.631 56.400 0.251 0.000 0.810 248 E CB 0.056 29.932 29.700 0.294 0.000 0.742 248 E HN 0.677 nan 8.360 nan 0.000 0.466 249 A N 0.527 123.508 122.820 0.269 0.000 1.978 249 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 249 A C 2.385 180.152 177.584 0.304 0.000 1.170 249 A CA 2.219 54.466 52.037 0.350 0.000 0.636 249 A CB -1.210 17.946 19.000 0.260 0.000 0.810 249 A HN 0.519 nan 8.150 nan 0.000 0.448 250 T N -4.274 110.327 114.554 0.077 0.000 3.051 250 T HA -0.090 4.260 4.350 -0.001 0.000 0.269 250 T C 1.306 175.818 174.700 -0.313 0.000 1.127 250 T CA 1.291 63.311 62.100 -0.132 0.000 1.107 250 T CB -0.534 68.157 68.868 -0.296 0.000 0.898 250 T HN 0.526 nan 8.240 nan 0.000 0.517 251 Y N 0.237 120.440 120.300 -0.162 0.000 2.457 251 Y HA 0.334 4.883 4.550 -0.001 0.000 0.263 251 Y C 1.339 177.101 175.900 -0.230 0.000 1.164 251 Y CA -0.687 57.259 58.100 -0.257 0.000 1.274 251 Y CB 0.049 38.182 38.460 -0.544 0.000 1.097 251 Y HN 0.316 nan 8.280 nan 0.000 0.523 252 H N -0.432 118.679 119.070 0.068 0.000 2.496 252 H HA 0.366 4.921 4.556 -0.001 0.000 0.342 252 H C -0.313 174.970 175.328 -0.075 0.000 1.170 252 H CA -0.661 55.352 56.048 -0.057 0.000 1.274 252 H CB 1.835 31.454 29.762 -0.239 0.000 1.538 252 H HN -0.253 nan 8.280 nan 0.000 0.542 253 V N 3.340 123.278 119.914 0.039 0.000 2.546 253 V HA 0.096 4.215 4.120 -0.001 0.000 0.284 253 V C 0.410 176.435 176.094 -0.115 0.000 1.050 253 V CA -0.355 61.955 62.300 0.016 0.000 0.981 253 V CB 0.656 32.479 31.823 0.000 0.000 0.990 253 V HN 0.648 nan 8.190 nan 0.000 0.474 254 H N 3.387 122.441 119.070 -0.026 0.000 2.469 254 H HA 0.464 5.020 4.556 -0.001 0.000 0.342 254 H C -0.606 174.678 175.328 -0.074 0.000 1.115 254 H CA -0.495 55.520 56.048 -0.056 0.000 1.204 254 H CB 2.401 32.115 29.762 -0.081 0.000 1.492 254 H HN 0.683 nan 8.280 nan 0.000 0.499 255 E N 4.022 124.235 120.200 0.021 0.000 2.165 255 E HA 0.314 4.663 4.350 -0.001 0.000 0.266 255 E C -0.683 175.906 176.600 -0.019 0.000 0.889 255 E CA -0.585 55.808 56.400 -0.013 0.000 0.756 255 E CB 1.066 30.749 29.700 -0.027 0.000 1.131 255 E HN 0.440 nan 8.360 nan 0.000 0.411 256 L N 3.205 124.404 121.223 -0.040 0.000 2.454 256 L HA 0.230 4.569 4.340 -0.001 0.000 0.256 256 L C 1.722 178.572 176.870 -0.033 0.000 1.136 256 L CA -0.216 54.597 54.840 -0.045 0.000 0.804 256 L CB 0.627 42.645 42.059 -0.069 0.000 1.181 256 L HN 0.750 nan 8.230 nan 0.000 0.469 257 E N 0.447 120.632 120.200 -0.025 0.000 2.160 257 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 257 E C 1.895 178.478 176.600 -0.028 0.000 0.991 257 E CA 1.627 58.013 56.400 -0.023 0.000 0.810 257 E CB 0.156 29.845 29.700 -0.018 0.000 0.742 257 E HN 0.744 nan 8.360 nan 0.000 0.466 258 S N -1.306 114.374 115.700 -0.032 0.000 2.447 258 S HA 0.033 4.502 4.470 -0.001 0.000 0.233 258 S C 1.677 176.251 174.600 -0.043 0.000 1.006 258 S CA 0.928 59.103 58.200 -0.041 0.000 0.957 258 S CB 0.144 63.315 63.200 -0.049 0.000 0.773 258 S HN 0.570 nan 8.310 nan 0.000 0.507 259 G N 0.140 108.916 108.800 -0.040 0.000 2.213 259 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.226 259 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.226 259 G C -0.137 174.739 174.900 -0.040 0.000 0.992 259 G CA -0.014 45.065 45.100 -0.036 0.000 0.632 259 G HN 0.657 nan 8.290 nan 0.000 0.511 260 L N 1.876 123.065 121.223 -0.057 0.000 2.426 260 L HA 0.690 5.029 4.340 -0.001 0.000 0.271 260 L C 0.793 177.627 176.870 -0.059 0.000 1.169 260 L CA -0.190 54.608 54.840 -0.071 0.000 0.836 260 L CB 0.463 42.457 42.059 -0.109 0.000 1.112 260 L HN 0.269 nan 8.230 nan 0.000 0.465 261 R N 3.632 124.114 120.500 -0.031 0.000 2.604 261 R HA 0.757 5.096 4.340 -0.001 0.000 0.287 261 R C -1.285 174.975 176.300 -0.067 0.000 0.970 261 R CA -0.824 55.262 56.100 -0.024 0.000 0.946 261 R CB 1.955 32.260 30.300 0.009 0.000 1.127 261 R HN 0.588 nan 8.270 nan 0.000 0.473 262 V N 0.011 119.881 119.914 -0.074 0.000 2.841 262 V HA 0.602 4.721 4.120 -0.001 0.000 0.310 262 V C -0.825 175.248 176.094 -0.035 0.000 1.090 262 V CA -1.061 61.155 62.300 -0.140 0.000 0.930 262 V CB 1.986 33.665 31.823 -0.241 0.000 1.014 262 V HN 0.568 nan 8.190 nan 0.000 0.425 263 L N 3.363 124.576 121.223 -0.016 0.000 2.331 263 L HA 0.936 5.275 4.340 -0.001 0.000 0.275 263 L C 0.448 177.349 176.870 0.052 0.000 1.022 263 L CA -0.710 54.186 54.840 0.094 0.000 0.812 263 L CB 1.960 44.147 42.059 0.213 0.000 1.257 263 L HN 0.997 nan 8.230 nan 0.000 0.435 264 A N 2.534 125.357 122.820 0.006 0.000 2.324 264 A HA 0.495 4.815 4.320 -0.001 0.000 0.330 264 A C -0.275 177.279 177.584 -0.050 0.000 1.165 264 A CA -0.642 51.357 52.037 -0.063 0.000 0.813 264 A CB 0.981 19.908 19.000 -0.121 0.000 1.197 264 A HN 0.808 nan 8.150 nan 0.000 0.484 265 R N 1.859 122.342 120.500 -0.029 0.000 2.484 265 R HA -0.030 4.310 4.340 -0.001 0.000 0.293 265 R C -0.383 175.888 176.300 -0.047 0.000 1.023 265 R CA 0.074 56.168 56.100 -0.009 0.000 1.037 265 R CB 0.065 30.403 30.300 0.064 0.000 0.951 265 R HN 0.782 nan 8.270 nan 0.000 0.418 266 N N 5.438 124.108 118.700 -0.049 0.000 2.430 266 N HA 0.121 4.861 4.740 -0.001 0.000 0.265 266 N C -2.043 173.479 175.510 0.021 0.000 1.100 266 N CA -1.573 51.440 53.050 -0.061 0.000 0.961 266 N CB 1.511 39.993 38.487 -0.008 0.000 1.075 266 N HN 0.353 nan 8.380 nan 0.000 0.478 267 P HA -0.098 nan 4.420 nan 0.000 0.215 267 P C 0.545 177.914 177.300 0.114 0.000 1.157 267 P CA 1.235 64.368 63.100 0.055 0.000 0.863 267 P CB 0.273 32.007 31.700 0.057 0.000 0.787 268 E N -0.572 119.717 120.200 0.148 0.000 2.049 268 E HA -0.193 4.156 4.350 -0.001 0.000 0.198 268 E C 2.070 178.836 176.600 0.278 0.000 1.007 268 E CA 2.311 58.830 56.400 0.197 0.000 0.809 268 E CB -1.542 28.265 29.700 0.177 0.000 0.749 268 E HN 0.367 nan 8.360 nan 0.000 0.450 269 T N -2.177 112.570 114.554 0.322 0.000 2.881 269 T HA -0.119 4.230 4.350 -0.001 0.000 0.270 269 T C 1.936 177.030 174.700 0.656 0.000 1.068 269 T CA 1.598 64.049 62.100 0.583 0.000 1.131 269 T CB -0.528 68.734 68.868 0.657 0.000 0.871 269 T HN 0.019 nan 8.240 nan 0.000 0.479 270 T N 2.113 116.880 114.554 0.354 0.000 2.809 270 T HA 0.225 4.574 4.350 -0.001 0.000 0.260 270 T C 1.887 176.716 174.700 0.215 0.000 1.039 270 T CA 0.932 63.163 62.100 0.218 0.000 1.141 270 T CB -0.378 68.422 68.868 -0.113 0.000 0.869 270 T HN 0.292 nan 8.240 nan 0.000 0.437 271 L N 0.976 122.285 121.223 0.144 0.000 2.093 271 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 271 L C 2.799 179.677 176.870 0.013 0.000 1.085 271 L CA 0.994 55.869 54.840 0.059 0.000 0.755 271 L CB -0.497 41.644 42.059 0.136 0.000 0.904 271 L HN 0.203 nan 8.230 nan 0.000 0.435 272 Q N -0.086 119.839 119.800 0.207 0.000 2.291 272 Q HA -0.132 4.207 4.340 -0.001 0.000 0.206 272 Q C 1.794 177.624 176.000 -0.283 0.000 0.976 272 Q CA 1.560 57.414 55.803 0.085 0.000 0.875 272 Q CB 0.016 28.928 28.738 0.290 0.000 0.927 272 Q HN 0.363 nan 8.270 nan 0.000 0.450 273 V N -2.057 117.872 119.914 0.026 0.000 2.690 273 V HA -0.026 4.093 4.120 -0.001 0.000 0.240 273 V C 1.204 177.249 176.094 -0.081 0.000 1.078 273 V CA 0.953 63.203 62.300 -0.084 0.000 1.102 273 V CB -0.432 31.505 31.823 0.189 0.000 0.800 273 V HN 0.343 nan 8.190 nan 0.000 0.479 274 W N 0.517 121.721 121.300 -0.160 0.000 2.576 274 W HA 0.290 4.949 4.660 -0.001 0.000 0.270 274 W C 1.648 178.014 176.519 -0.254 0.000 1.255 274 W CA 0.276 57.514 57.345 -0.177 0.000 1.314 274 W CB -0.577 28.818 29.460 -0.109 0.000 1.101 274 W HN 0.084 nan 8.180 nan 0.000 0.595 275 S N 1.176 116.777 115.700 -0.165 0.000 2.593 275 S HA 0.169 4.638 4.470 -0.001 0.000 0.300 275 S C 1.403 175.836 174.600 -0.279 0.000 1.267 275 S CA 0.403 58.378 58.200 -0.375 0.000 1.065 275 S CB 0.942 63.519 63.200 -1.038 0.000 0.807 275 S HN 0.210 nan 8.310 nan 0.000 0.499 276 A N 4.145 126.868 122.820 -0.162 0.000 2.119 276 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 276 A C 1.633 179.165 177.584 -0.087 0.000 1.153 276 A CA 1.123 53.114 52.037 -0.077 0.000 0.692 276 A CB -0.204 18.784 19.000 -0.021 0.000 0.799 276 A HN 0.881 nan 8.150 nan 0.000 0.458 277 D N -1.812 118.511 120.400 -0.127 0.000 2.323 277 D HA 0.050 4.689 4.640 -0.001 0.000 0.218 277 D C 0.929 177.239 176.300 0.017 0.000 0.973 277 D CA 1.301 55.285 54.000 -0.025 0.000 0.890 277 D CB -0.026 40.818 40.800 0.074 0.000 1.011 277 D HN 0.777 nan 8.370 nan 0.000 0.499 278 Y N -1.273 118.968 120.300 -0.099 0.000 2.672 278 Y HA 0.548 5.097 4.550 -0.001 0.000 0.252 278 Y C 0.779 176.520 175.900 -0.265 0.000 1.132 278 Y CA -0.991 57.018 58.100 -0.152 0.000 1.228 278 Y CB -0.137 38.253 38.460 -0.116 0.000 1.310 278 Y HN -0.248 nan 8.280 nan 0.000 0.549 279 G N 0.557 109.088 108.800 -0.448 0.000 2.491 279 G HA2 0.039 3.998 3.960 -0.001 0.000 0.242 279 G HA3 0.039 3.998 3.960 -0.001 0.000 0.242 279 G C 0.084 174.663 174.900 -0.535 0.000 1.266 279 G CA -0.232 44.559 45.100 -0.516 0.000 0.844 279 G HN 0.562 nan 8.290 nan 0.000 0.571 280 Y N 1.879 121.799 120.300 -0.634 0.000 2.139 280 Y HA -0.165 4.384 4.550 -0.001 0.000 0.282 280 Y C 0.326 175.729 175.900 -0.828 0.000 1.179 280 Y CA 1.450 59.031 58.100 -0.866 0.000 1.161 280 Y CB -0.923 36.805 38.460 -1.221 0.000 0.970 280 Y HN 0.435 nan 8.280 nan 0.000 0.511 281 P HA -0.152 nan 4.420 nan 0.000 0.221 281 P C 1.530 178.604 177.300 -0.377 0.000 1.145 281 P CA 1.950 64.423 63.100 -1.044 0.000 0.795 281 P CB -0.283 30.834 31.700 -0.972 0.000 0.775 282 G N -0.470 108.168 108.800 -0.270 0.000 2.679 282 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.212 282 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.212 282 G C 0.467 175.314 174.900 -0.089 0.000 1.137 282 G CA -0.077 44.934 45.100 -0.149 0.000 0.787 282 G HN 0.263 nan 8.290 nan 0.000 0.534 283 E N 0.982 121.155 120.200 -0.045 0.000 2.465 283 E HA 0.288 4.637 4.350 -0.001 0.000 0.260 283 E C 1.716 178.236 176.600 -0.133 0.000 0.980 283 E CA 0.347 56.689 56.400 -0.097 0.000 0.927 283 E CB 0.753 30.367 29.700 -0.142 0.000 0.934 283 E HN -0.035 nan 8.360 nan 0.000 0.459 284 G N 4.254 112.988 108.800 -0.111 0.000 2.485 284 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.221 284 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.221 284 G C 1.172 176.051 174.900 -0.035 0.000 1.115 284 G CA 0.998 46.067 45.100 -0.052 0.000 0.751 284 G HN 0.589 nan 8.290 nan 0.000 0.567 285 L N -0.997 120.139 121.223 -0.144 0.000 2.313 285 L HA 0.188 4.527 4.340 -0.001 0.000 0.214 285 L C 0.963 177.886 176.870 0.088 0.000 1.119 285 L CA -0.316 54.471 54.840 -0.088 0.000 0.809 285 L CB -0.221 41.716 42.059 -0.204 0.000 0.933 285 L HN 0.216 nan 8.230 nan 0.000 0.449 286 Y N 0.518 120.885 120.300 0.112 0.000 2.457 286 Y HA 0.007 4.556 4.550 -0.001 0.000 0.341 286 Y C 1.129 177.097 175.900 0.114 0.000 1.240 286 Y CA -0.718 57.466 58.100 0.141 0.000 1.437 286 Y CB 0.304 38.808 38.460 0.074 0.000 1.328 286 Y HN 0.031 nan 8.280 nan 0.000 0.588 287 R N 2.525 123.146 120.500 0.201 0.000 2.489 287 R HA -0.043 4.296 4.340 -0.001 0.000 0.287 287 R C -0.438 175.781 176.300 -0.135 0.000 1.053 287 R CA -0.409 55.539 56.100 -0.253 0.000 1.036 287 R CB 0.470 30.323 30.300 -0.745 0.000 0.966 287 R HN 0.625 nan 8.270 nan 0.000 0.432 288 E N 4.239 124.410 120.200 -0.048 0.000 2.257 288 E HA -0.075 4.274 4.350 -0.001 0.000 0.278 288 E C 0.121 176.732 176.600 0.019 0.000 1.049 288 E CA 0.056 56.465 56.400 0.016 0.000 0.876 288 E CB 0.347 30.128 29.700 0.136 0.000 1.035 288 E HN 0.545 nan 8.360 nan 0.000 0.419 289 F N 4.993 124.766 119.950 -0.295 0.000 2.163 289 F HA -0.097 4.429 4.527 -0.001 0.000 0.297 289 F C 1.426 177.142 175.800 -0.140 0.000 1.094 289 F CA 1.501 59.279 58.000 -0.369 0.000 1.290 289 F CB 0.224 38.758 39.000 -0.776 0.000 1.017 289 F HN 0.654 nan 8.300 nan 0.000 0.483 290 H N -0.224 118.941 119.070 0.159 0.000 2.547 290 H HA 0.174 4.729 4.556 -0.001 0.000 0.266 290 H C 0.380 175.707 175.328 -0.002 0.000 0.988 290 H CA 0.275 56.374 56.048 0.085 0.000 1.147 290 H CB -0.173 29.689 29.762 0.167 0.000 1.365 290 H HN 0.157 nan 8.280 nan 0.000 0.589 291 R N 1.545 122.095 120.500 0.085 0.000 2.288 291 R HA 0.254 4.593 4.340 -0.001 0.000 0.326 291 R C -0.713 175.568 176.300 -0.031 0.000 0.959 291 R CA -0.418 55.664 56.100 -0.030 0.000 0.834 291 R CB 0.862 31.092 30.300 -0.117 0.000 1.157 291 R HN 0.010 nan 8.270 nan 0.000 0.470 292 K N 2.006 122.328 120.400 -0.130 0.000 2.208 292 K HA 0.150 4.470 4.320 -0.001 0.000 0.247 292 K C -0.918 175.724 176.600 0.070 0.000 0.953 292 K CA -0.931 55.270 56.287 -0.143 0.000 0.837 292 K CB 1.576 33.913 32.500 -0.271 0.000 1.131 292 K HN 0.539 nan 8.250 nan 0.000 0.431 293 D N 2.781 123.325 120.400 0.241 0.000 2.417 293 D HA 0.024 4.663 4.640 -0.001 0.000 0.250 293 D C -1.735 174.646 176.300 0.135 0.000 1.166 293 D CA -1.517 52.702 54.000 0.365 0.000 0.881 293 D CB 1.249 42.309 40.800 0.434 0.000 1.164 293 D HN 0.143 nan 8.370 nan 0.000 0.467 294 P HA -0.126 nan 4.420 nan 0.000 0.217 294 P C 1.248 178.561 177.300 0.022 0.000 1.148 294 P CA 1.071 64.193 63.100 0.037 0.000 0.828 294 P CB 0.300 32.023 31.700 0.038 0.000 0.783 295 L N -1.893 119.361 121.223 0.052 0.000 2.286 295 L HA 0.053 4.392 4.340 -0.001 0.000 0.203 295 L C 2.278 179.136 176.870 -0.020 0.000 1.068 295 L CA 1.443 56.288 54.840 0.008 0.000 0.811 295 L CB -0.698 41.366 42.059 0.009 0.000 0.989 295 L HN 0.044 nan 8.230 nan 0.000 0.467 296 S N -1.047 114.660 115.700 0.012 0.000 2.483 296 S HA 0.177 4.646 4.470 -0.001 0.000 0.221 296 S C 1.599 176.151 174.600 -0.080 0.000 1.030 296 S CA 0.553 58.735 58.200 -0.030 0.000 0.925 296 S CB 0.766 63.984 63.200 0.030 0.000 0.795 296 S HN 0.460 nan 8.310 nan 0.000 0.511 297 G N 1.199 109.959 108.800 -0.067 0.000 2.179 297 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.260 297 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.260 297 G C -0.021 174.768 174.900 -0.185 0.000 0.977 297 G CA 0.422 45.437 45.100 -0.142 0.000 0.641 297 G HN 0.546 nan 8.290 nan 0.000 0.533 298 L N 0.032 121.162 121.223 -0.154 0.000 2.421 298 L HA 0.562 4.902 4.340 -0.001 0.000 0.263 298 L C 0.615 177.219 176.870 -0.443 0.000 1.122 298 L CA -1.079 53.613 54.840 -0.247 0.000 0.804 298 L CB 0.559 42.470 42.059 -0.246 0.000 1.150 298 L HN 0.135 nan 8.230 nan 0.000 0.457 299 H N 1.006 119.835 119.070 -0.401 0.000 2.652 299 H HA 0.248 4.804 4.556 -0.001 0.000 0.298 299 H C -0.081 174.897 175.328 -0.584 0.000 1.076 299 H CA -0.226 55.615 56.048 -0.344 0.000 1.360 299 H CB 0.434 29.981 29.762 -0.359 0.000 1.421 299 H HN 0.374 nan 8.280 nan 0.000 0.464 300 H N 2.366 121.191 119.070 -0.408 0.000 2.923 300 H HA 0.086 4.641 4.556 -0.001 0.000 0.268 300 H C -0.336 174.444 175.328 -0.912 0.000 1.148 300 H CA -0.011 55.540 56.048 -0.829 0.000 1.146 300 H CB 0.498 29.433 29.762 -1.377 0.000 1.607 300 H HN 0.612 nan 8.280 nan 0.000 0.566 301 W N 2.160 123.526 121.300 0.109 0.000 2.799 301 W HA 0.427 5.086 4.660 -0.001 0.000 0.349 301 W C 0.468 177.037 176.519 0.084 0.000 1.100 301 W CA -0.849 56.564 57.345 0.114 0.000 1.174 301 W CB 1.783 31.281 29.460 0.064 0.000 1.427 301 W HN -0.052 nan 8.180 nan 0.000 0.547 302 R N -0.529 120.186 120.500 0.358 0.000 2.720 302 R HA 0.558 4.897 4.340 -0.001 0.000 0.272 302 R C 0.399 176.815 176.300 0.195 0.000 0.991 302 R CA -0.722 55.544 56.100 0.276 0.000 1.010 302 R CB 1.207 31.698 30.300 0.318 0.000 1.141 302 R HN 0.219 nan 8.270 nan 0.000 0.494 303 V N 1.282 121.276 119.914 0.133 0.000 2.278 303 V HA -0.358 3.762 4.120 -0.001 0.000 0.251 303 V C 1.181 177.337 176.094 0.103 0.000 1.062 303 V CA 2.779 65.132 62.300 0.088 0.000 1.038 303 V CB -1.038 30.807 31.823 0.038 0.000 0.646 303 V HN 1.164 nan 8.190 nan 0.000 0.447 304 T N -2.347 112.267 114.554 0.100 0.000 12.892 304 T HA -0.374 3.975 4.350 -0.001 0.000 0.418 304 T C 0.392 175.171 174.700 0.132 0.000 1.450 304 T CA 2.107 64.272 62.100 0.109 0.000 2.382 304 T CB -0.678 68.266 68.868 0.127 0.000 2.816 304 T HN 0.848 nan 8.240 nan 0.000 0.702 305 H N -0.353 118.732 119.070 0.025 0.000 3.085 305 H HA 0.576 5.131 4.556 -0.001 0.000 0.356 305 H C 0.660 175.999 175.328 0.017 0.000 1.178 305 H CA -0.788 55.270 56.048 0.016 0.000 1.214 305 H CB 1.023 30.794 29.762 0.015 0.000 1.881 305 H HN 0.095 nan 8.280 nan 0.000 0.538 306 R N 1.851 122.330 120.500 -0.035 0.000 2.096 306 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 306 R C 1.275 177.677 176.300 0.170 0.000 1.127 306 R CA 1.730 57.861 56.100 0.051 0.000 0.968 306 R CB 0.108 30.388 30.300 -0.034 0.000 0.861 306 R HN 0.529 nan 8.270 nan 0.000 0.440 307 K N 0.440 121.063 120.400 0.371 0.000 2.167 307 K HA 0.121 4.440 4.320 -0.001 0.000 0.203 307 K C 0.796 177.457 176.600 0.101 0.000 1.052 307 K CA 0.393 56.800 56.287 0.199 0.000 0.956 307 K CB 0.057 32.650 32.500 0.156 0.000 0.735 307 K HN 0.097 nan 8.250 nan 0.000 0.451 308 A N 2.672 125.562 122.820 0.116 0.000 2.632 308 A HA -0.124 4.195 4.320 -0.001 0.000 0.231 308 A C -0.493 177.108 177.584 0.027 0.000 1.027 308 A CA 0.321 52.382 52.037 0.040 0.000 0.759 308 A CB -0.120 18.933 19.000 0.088 0.000 0.939 308 A HN 0.178 nan 8.150 nan 0.000 0.505 309 D N 0.830 121.227 120.400 -0.005 0.000 2.344 309 D HA 0.307 4.946 4.640 -0.001 0.000 0.244 309 D C 1.300 177.586 176.300 -0.024 0.000 1.134 309 D CA -0.566 53.423 54.000 -0.017 0.000 0.930 309 D CB 0.367 41.147 40.800 -0.033 0.000 1.175 309 D HN 0.257 nan 8.370 nan 0.000 0.437 310 L N 1.475 122.673 121.223 -0.041 0.000 2.042 310 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 310 L C 2.214 178.999 176.870 -0.141 0.000 1.076 310 L CA 1.707 56.501 54.840 -0.076 0.000 0.749 310 L CB -1.211 40.797 42.059 -0.084 0.000 0.893 310 L HN 0.597 nan 8.230 nan 0.000 0.432 311 A N -1.242 121.505 122.820 -0.123 0.000 2.125 311 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 311 A C 1.986 179.510 177.584 -0.100 0.000 1.156 311 A CA 1.338 53.294 52.037 -0.135 0.000 0.671 311 A CB -0.460 18.484 19.000 -0.094 0.000 0.794 311 A HN 0.571 nan 8.150 nan 0.000 0.459 312 E N -0.010 120.152 120.200 -0.063 0.000 2.479 312 E HA 0.027 4.376 4.350 -0.001 0.000 0.193 312 E C -0.240 176.365 176.600 0.008 0.000 1.049 312 E CA -0.238 56.146 56.400 -0.025 0.000 0.870 312 E CB 0.237 29.925 29.700 -0.020 0.000 0.944 312 E HN 0.279 nan 8.360 nan 0.000 0.492 313 K N 1.507 121.903 120.400 -0.007 0.000 2.401 313 K HA 0.239 4.558 4.320 -0.001 0.000 0.278 313 K C 0.034 176.741 176.600 0.179 0.000 1.018 313 K CA -0.049 56.287 56.287 0.081 0.000 0.981 313 K CB 0.981 33.526 32.500 0.074 0.000 0.933 313 K HN 0.001 nan 8.250 nan 0.000 0.477 314 A N 5.192 128.141 122.820 0.215 0.000 2.271 314 A HA 0.479 4.798 4.320 -0.001 0.000 0.288 314 A C -2.220 175.557 177.584 0.323 0.000 1.094 314 A CA -1.598 50.576 52.037 0.227 0.000 0.828 314 A CB 0.005 19.088 19.000 0.137 0.000 1.091 314 A HN 0.379 nan 8.150 nan 0.000 0.493 315 P HA 0.013 nan 4.420 nan 0.000 0.266 315 P C -0.960 176.394 177.300 0.090 0.000 1.193 315 P CA 0.533 63.670 63.100 0.062 0.000 0.770 315 P CB 0.108 31.803 31.700 -0.009 0.000 0.836 316 Y N 2.948 123.178 120.300 -0.116 0.000 2.335 316 Y HA 0.217 4.766 4.550 -0.001 0.000 0.331 316 Y C 0.196 176.081 175.900 -0.024 0.000 1.094 316 Y CA -0.433 57.644 58.100 -0.039 0.000 1.253 316 Y CB 0.315 38.746 38.460 -0.048 0.000 1.203 316 Y HN 0.253 nan 8.280 nan 0.000 0.508 317 D N 8.746 128.846 120.400 -0.501 0.000 2.477 317 D HA 0.284 4.923 4.640 -0.001 0.000 0.239 317 D C -2.178 173.670 176.300 -0.752 0.000 1.102 317 D CA -2.362 51.368 54.000 -0.450 0.000 0.901 317 D CB 1.629 42.303 40.800 -0.209 0.000 1.026 317 D HN 0.328 nan 8.370 nan 0.000 0.515 318 P HA -0.174 nan 4.420 nan 0.000 0.214 318 P C 0.896 178.125 177.300 -0.119 0.000 1.163 318 P CA 1.326 64.083 63.100 -0.572 0.000 0.889 318 P CB 0.542 32.017 31.700 -0.374 0.000 0.790 319 E N -0.209 119.931 120.200 -0.101 0.000 2.038 319 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 319 E C 2.185 178.789 176.600 0.007 0.000 1.000 319 E CA 1.796 58.189 56.400 -0.012 0.000 0.803 319 E CB -1.466 28.217 29.700 -0.028 0.000 0.750 319 E HN 0.169 nan 8.360 nan 0.000 0.448 320 A N 0.900 123.686 122.820 -0.057 0.000 1.933 320 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 320 A C 2.353 179.914 177.584 -0.037 0.000 1.175 320 A CA 1.929 53.935 52.037 -0.052 0.000 0.628 320 A CB -0.851 18.101 19.000 -0.080 0.000 0.814 320 A HN 0.280 nan 8.150 nan 0.000 0.444 321 A N -1.010 121.787 122.820 -0.038 0.000 1.858 321 A HA 0.000 4.319 4.320 -0.001 0.000 0.216 321 A C 1.948 179.581 177.584 0.081 0.000 1.190 321 A CA 1.528 53.592 52.037 0.045 0.000 0.617 321 A CB -0.772 18.315 19.000 0.146 0.000 0.827 321 A HN 0.464 nan 8.150 nan 0.000 0.443 322 F N 0.093 120.088 119.950 0.076 0.000 2.234 322 F HA 0.004 4.531 4.527 -0.001 0.000 0.299 322 F C 2.715 178.543 175.800 0.047 0.000 1.087 322 F CA 0.825 58.858 58.000 0.055 0.000 1.340 322 F CB -0.254 38.734 39.000 -0.020 0.000 1.031 322 F HN 0.257 nan 8.300 nan 0.000 0.500 323 A N -0.258 122.661 122.820 0.166 0.000 1.972 323 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 323 A C 2.104 179.717 177.584 0.049 0.000 1.169 323 A CA 1.689 53.777 52.037 0.085 0.000 0.635 323 A CB -0.564 18.459 19.000 0.038 0.000 0.810 323 A HN 0.213 nan 8.150 nan 0.000 0.446 324 K N 0.423 120.834 120.400 0.019 0.000 2.209 324 K HA -0.119 4.200 4.320 -0.001 0.000 0.204 324 K C 1.971 178.571 176.600 -0.001 0.000 1.048 324 K CA 2.051 58.287 56.287 -0.085 0.000 0.940 324 K CB -0.796 31.555 32.500 -0.249 0.000 0.729 324 K HN 0.616 nan 8.250 nan 0.000 0.451 325 T N -1.407 113.261 114.554 0.189 0.000 2.833 325 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 325 T C 1.496 176.342 174.700 0.244 0.000 1.054 325 T CA 0.973 63.256 62.100 0.304 0.000 1.135 325 T CB -0.227 68.764 68.868 0.206 0.000 0.869 325 T HN 0.159 nan 8.240 nan 0.000 0.466 326 E N 1.319 121.595 120.200 0.126 0.000 2.077 326 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 326 E C 2.173 178.837 176.600 0.106 0.000 0.989 326 E CA 1.356 57.809 56.400 0.088 0.000 0.800 326 E CB -0.306 29.426 29.700 0.054 0.000 0.746 326 E HN 0.806 nan 8.360 nan 0.000 0.452 327 E N 0.222 120.465 120.200 0.072 0.000 2.077 327 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 327 E C 1.800 178.536 176.600 0.226 0.000 0.989 327 E CA 1.033 57.483 56.400 0.083 0.000 0.800 327 E CB -0.085 29.595 29.700 -0.034 0.000 0.746 327 E HN 0.465 nan 8.360 nan 0.000 0.452 328 H N -1.035 118.143 119.070 0.180 0.000 2.495 328 H HA 0.051 4.607 4.556 -0.001 0.000 0.287 328 H C 1.938 177.475 175.328 0.348 0.000 1.033 328 H CA 0.303 56.406 56.048 0.092 0.000 1.307 328 H CB 0.236 29.856 29.762 -0.237 0.000 1.401 328 H HN 0.271 nan 8.280 nan 0.000 0.555 329 A N 1.275 124.347 122.820 0.420 0.000 1.873 329 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 329 A C 2.252 179.962 177.584 0.211 0.000 1.186 329 A CA 0.995 53.117 52.037 0.143 0.000 0.616 329 A CB -0.235 18.723 19.000 -0.071 0.000 0.823 329 A HN 0.285 nan 8.150 nan 0.000 0.442 330 R N -1.452 119.170 120.500 0.204 0.000 2.081 330 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 330 R C 2.343 178.785 176.300 0.237 0.000 1.131 330 R CA 1.390 57.593 56.100 0.171 0.000 0.960 330 R CB -0.579 29.804 30.300 0.139 0.000 0.856 330 R HN 0.771 nan 8.270 nan 0.000 0.436 331 H N 0.187 119.420 119.070 0.271 0.000 2.319 331 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 331 H C 1.897 177.463 175.328 0.397 0.000 1.092 331 H CA 1.875 58.119 56.048 0.327 0.000 1.302 331 H CB -0.256 29.765 29.762 0.432 0.000 1.373 331 H HN 0.123 nan 8.280 nan 0.000 0.497 332 F N 1.224 121.493 119.950 0.531 0.000 2.095 332 F HA -0.189 4.337 4.527 -0.001 0.000 0.298 332 F C 2.596 178.504 175.800 0.180 0.000 1.104 332 F CA 1.472 59.784 58.000 0.519 0.000 1.232 332 F CB -0.662 38.753 39.000 0.693 0.000 0.987 332 F HN -0.021 nan 8.300 nan 0.000 0.475 333 V N 0.222 120.225 119.914 0.148 0.000 2.594 333 V HA -0.231 3.889 4.120 -0.001 0.000 0.253 333 V C 2.698 178.733 176.094 -0.099 0.000 1.069 333 V CA 1.734 64.001 62.300 -0.054 0.000 1.082 333 V CB -1.633 30.186 31.823 -0.006 0.000 0.680 333 V HN 0.553 nan 8.190 nan 0.000 0.469 334 G N 0.114 108.875 108.800 -0.065 0.000 2.418 334 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 334 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 334 G C 1.565 176.380 174.900 -0.141 0.000 1.158 334 G CA 1.116 46.156 45.100 -0.100 0.000 0.771 334 G HN 0.475 nan 8.290 nan 0.000 0.545 335 L N 0.561 121.668 121.223 -0.192 0.000 2.046 335 L HA 0.100 4.439 4.340 -0.001 0.000 0.208 335 L C 2.619 179.387 176.870 -0.171 0.000 1.077 335 L CA 1.364 56.103 54.840 -0.168 0.000 0.747 335 L CB -0.454 41.516 42.059 -0.148 0.000 0.896 335 L HN 0.210 nan 8.230 nan 0.000 0.432 336 L N -0.663 120.392 121.223 -0.279 0.000 2.083 336 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 336 L C 2.484 179.295 176.870 -0.099 0.000 1.083 336 L CA 1.440 56.144 54.840 -0.226 0.000 0.752 336 L CB -0.625 41.213 42.059 -0.368 0.000 0.899 336 L HN 0.378 nan 8.230 nan 0.000 0.433 337 E N -0.199 119.944 120.200 -0.095 0.000 2.152 337 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 337 E C 2.312 178.887 176.600 -0.041 0.000 0.983 337 E CA 0.624 56.991 56.400 -0.054 0.000 0.818 337 E CB 0.055 29.725 29.700 -0.050 0.000 0.758 337 E HN 0.470 nan 8.360 nan 0.000 0.467 338 R N 0.522 120.994 120.500 -0.046 0.000 2.062 338 R HA -0.018 4.321 4.340 -0.001 0.000 0.229 338 R C 2.508 178.796 176.300 -0.020 0.000 1.128 338 R CA 0.769 56.848 56.100 -0.034 0.000 0.960 338 R CB -0.330 29.952 30.300 -0.031 0.000 0.855 338 R HN 0.151 nan 8.270 nan 0.000 0.432 339 L N 0.538 121.767 121.223 0.011 0.000 2.042 339 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 339 L C 2.726 179.608 176.870 0.020 0.000 1.076 339 L CA 1.351 56.228 54.840 0.062 0.000 0.749 339 L CB -0.689 41.475 42.059 0.175 0.000 0.893 339 L HN 0.257 nan 8.230 nan 0.000 0.432 340 A N 0.405 123.238 122.820 0.021 0.000 1.902 340 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 340 A C 2.424 179.988 177.584 -0.032 0.000 1.181 340 A CA 1.674 53.720 52.037 0.015 0.000 0.623 340 A CB -1.216 17.796 19.000 0.020 0.000 0.818 340 A HN 0.441 nan 8.150 nan 0.000 0.443 341 G N -0.601 108.170 108.800 -0.048 0.000 2.422 341 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 341 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 341 G C 1.767 176.587 174.900 -0.133 0.000 1.146 341 G CA 0.920 45.977 45.100 -0.072 0.000 0.769 341 G HN 0.568 nan 8.290 nan 0.000 0.547 342 R N -0.741 119.654 120.500 -0.175 0.000 2.115 342 R HA 0.019 4.358 4.340 -0.001 0.000 0.230 342 R C 0.022 175.893 176.300 -0.714 0.000 1.111 342 R CA 0.843 56.721 56.100 -0.370 0.000 0.976 342 R CB 0.001 30.120 30.300 -0.301 0.000 0.870 342 R HN 0.468 nan 8.270 nan 0.000 0.445 343 H N -1.645 117.257 119.070 -0.279 0.000 2.651 343 H HA 0.189 4.744 4.556 -0.001 0.000 0.252 343 H C -2.151 173.091 175.328 -0.143 0.000 1.365 343 H CA -1.650 54.233 56.048 -0.275 0.000 1.539 343 H CB 1.479 30.928 29.762 -0.522 0.000 1.621 343 H HN -0.065 nan 8.280 nan 0.000 0.526 344 P HA -0.169 nan 4.420 nan 0.000 0.217 344 P C 0.419 177.735 177.300 0.027 0.000 1.148 344 P CA 1.370 64.467 63.100 -0.004 0.000 0.828 344 P CB 0.423 32.110 31.700 -0.021 0.000 0.783 345 E N -1.059 119.161 120.200 0.034 0.000 2.558 345 E HA 0.244 4.593 4.350 -0.001 0.000 0.205 345 E C 1.004 177.640 176.600 0.060 0.000 1.006 345 E CA -0.395 56.033 56.400 0.047 0.000 0.961 345 E CB 0.329 30.055 29.700 0.043 0.000 1.044 345 E HN 0.142 nan 8.360 nan 0.000 0.465 346 G N 0.567 109.414 108.800 0.078 0.000 2.547 346 G HA2 0.385 4.345 3.960 -0.001 0.000 0.291 346 G HA3 0.385 4.345 3.960 -0.001 0.000 0.291 346 G C -0.393 174.597 174.900 0.150 0.000 1.211 346 G CA -0.353 44.809 45.100 0.103 0.000 0.950 346 G HN 0.008 nan 8.290 nan 0.000 0.504 347 V N 0.672 120.680 119.914 0.156 0.000 2.409 347 V HA 0.328 4.447 4.120 -0.001 0.000 0.291 347 V C -0.175 176.000 176.094 0.136 0.000 1.020 347 V CA -0.448 61.931 62.300 0.132 0.000 0.848 347 V CB 1.457 33.325 31.823 0.075 0.000 0.990 347 V HN 0.530 nan 8.190 nan 0.000 0.430 348 I N 5.993 126.680 120.570 0.194 0.000 2.291 348 I HA 0.309 4.478 4.170 -0.001 0.000 0.290 348 I C -0.418 175.780 176.117 0.135 0.000 1.050 348 I CA -0.432 60.987 61.300 0.199 0.000 1.245 348 I CB 1.269 39.502 38.000 0.388 0.000 1.405 348 I HN 0.418 nan 8.210 nan 0.000 0.478 349 L N 6.751 127.994 121.223 0.033 0.000 2.255 349 L HA 0.389 4.728 4.340 -0.001 0.000 0.289 349 L C -0.161 176.722 176.870 0.021 0.000 1.046 349 L CA 0.611 55.446 54.840 -0.009 0.000 0.816 349 L CB 1.048 43.108 42.059 0.003 0.000 1.197 349 L HN 0.427 nan 8.230 nan 0.000 0.427 350 S N 7.443 123.158 115.700 0.024 0.000 2.516 350 S HA 0.471 4.940 4.470 -0.001 0.000 0.268 350 S C -2.637 171.884 174.600 -0.132 0.000 1.251 350 S CA -0.853 57.394 58.200 0.078 0.000 1.153 350 S CB 0.698 64.286 63.200 0.647 0.000 1.009 350 S HN 0.540 nan 8.310 nan 0.000 0.479 351 P HA 0.527 nan 4.420 nan 0.000 0.301 351 P C -1.574 175.769 177.300 0.072 0.000 1.338 351 P CA -0.492 62.615 63.100 0.012 0.000 0.834 351 P CB 0.871 32.664 31.700 0.154 0.000 0.967 352 Y N -0.357 120.300 120.300 0.596 0.000 2.581 352 Y HA 0.329 4.878 4.550 -0.001 0.000 0.345 352 Y C 0.421 176.704 175.900 0.639 0.000 1.036 352 Y CA -0.982 57.602 58.100 0.806 0.000 1.042 352 Y CB 1.009 40.031 38.460 0.936 0.000 1.289 352 Y HN 0.205 nan 8.280 nan 0.000 0.471 353 D N 1.042 121.985 120.400 0.904 0.000 2.371 353 D HA 0.235 4.875 4.640 -0.001 0.000 0.256 353 D C 0.861 177.366 176.300 0.343 0.000 1.193 353 D CA 0.330 54.640 54.000 0.518 0.000 0.881 353 D CB 1.727 42.805 40.800 0.463 0.000 1.143 353 D HN 0.796 nan 8.370 nan 0.000 0.473 354 A N 3.764 126.733 122.820 0.249 0.000 1.917 354 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 354 A C 1.729 179.474 177.584 0.268 0.000 1.182 354 A CA 1.390 53.619 52.037 0.320 0.000 0.633 354 A CB -0.292 18.852 19.000 0.240 0.000 0.819 354 A HN 0.487 nan 8.150 nan 0.000 0.448 355 E N -0.475 119.815 120.200 0.150 0.000 2.463 355 E HA -0.113 4.236 4.350 -0.001 0.000 0.201 355 E C 1.594 178.223 176.600 0.048 0.000 1.045 355 E CA 0.626 57.086 56.400 0.099 0.000 0.872 355 E CB -0.412 29.333 29.700 0.076 0.000 0.797 355 E HN 0.604 nan 8.360 nan 0.000 0.538 356 L N -0.289 120.853 121.223 -0.135 0.000 2.046 356 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 356 L C 0.170 176.804 176.870 -0.394 0.000 1.077 356 L CA 1.395 55.972 54.840 -0.438 0.000 0.747 356 L CB -0.143 41.345 42.059 -0.952 0.000 0.896 356 L HN -0.068 nan 8.230 nan 0.000 0.432 357 F N 0.259 120.215 119.950 0.009 0.000 2.390 357 F HA 0.535 5.061 4.527 -0.001 0.000 0.361 357 F C 1.428 177.197 175.800 -0.051 0.000 1.124 357 F CA 0.227 58.185 58.000 -0.069 0.000 1.149 357 F CB 0.650 39.594 39.000 -0.093 0.000 1.160 357 F HN 0.193 nan 8.300 nan 0.000 0.501 358 G N 1.949 110.772 108.800 0.038 0.000 2.493 358 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.206 358 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.206 358 G C 0.921 175.941 174.900 0.200 0.000 1.109 358 G CA 0.464 45.612 45.100 0.081 0.000 0.689 358 G HN 0.624 nan 8.290 nan 0.000 0.516 359 H N -0.862 118.261 119.070 0.088 0.000 2.361 359 H HA 0.242 4.797 4.556 -0.001 0.000 0.308 359 H C 2.098 177.550 175.328 0.206 0.000 1.053 359 H CA 1.971 58.112 56.048 0.155 0.000 1.377 359 H CB -0.357 29.485 29.762 0.133 0.000 1.434 359 H HN 0.480 nan 8.280 nan 0.000 0.548 360 W N -0.300 120.821 121.300 -0.297 0.000 2.488 360 W HA -0.013 4.646 4.660 -0.001 0.000 0.304 360 W C -0.229 176.121 176.519 -0.282 0.000 1.175 360 W CA 0.138 57.111 57.345 -0.620 0.000 1.365 360 W CB -0.141 28.921 29.460 -0.664 0.000 1.131 360 W HN 0.281 nan 8.180 nan 0.000 0.520 361 W N 2.692 123.718 121.300 -0.458 0.000 2.298 361 W HA 0.177 4.837 4.660 -0.001 0.000 0.327 361 W C 0.587 176.922 176.519 -0.307 0.000 0.988 361 W CA -2.075 54.950 57.345 -0.532 0.000 1.448 361 W CB -0.694 28.440 29.460 -0.544 0.000 1.243 361 W HN 0.064 nan 8.180 nan 0.000 0.388 362 Y N 3.256 123.416 120.300 -0.232 0.000 2.114 362 Y HA -0.293 4.257 4.550 -0.001 0.000 0.282 362 Y C 1.559 177.198 175.900 -0.436 0.000 1.165 362 Y CA 2.721 60.647 58.100 -0.291 0.000 1.148 362 Y CB -0.091 38.195 38.460 -0.290 0.000 0.972 362 Y HN 0.394 nan 8.280 nan 0.000 0.504 363 E N -0.689 118.965 120.200 -0.909 0.000 2.502 363 E HA 0.092 4.441 4.350 -0.001 0.000 0.194 363 E C 2.240 178.036 176.600 -1.340 0.000 1.062 363 E CA 0.574 56.223 56.400 -1.253 0.000 0.867 363 E CB -0.556 28.402 29.700 -1.237 0.000 0.888 363 E HN 0.553 nan 8.360 nan 0.000 0.510 364 G N 0.563 108.323 108.800 -1.734 0.000 2.450 364 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.220 364 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.220 364 G C 1.598 176.213 174.900 -0.474 0.000 1.130 364 G CA 0.792 44.991 45.100 -1.500 0.000 0.760 364 G HN 0.252 nan 8.290 nan 0.000 0.557 365 V N 1.182 120.916 119.914 -0.300 0.000 2.453 365 V HA -0.047 4.072 4.120 -0.001 0.000 0.247 365 V C 3.239 179.234 176.094 -0.166 0.000 1.048 365 V CA 1.790 63.991 62.300 -0.165 0.000 1.049 365 V CB -0.567 31.221 31.823 -0.058 0.000 0.672 365 V HN 0.465 nan 8.190 nan 0.000 0.457 366 A N -0.911 121.828 122.820 -0.135 0.000 1.969 366 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 366 A C 1.930 179.463 177.584 -0.085 0.000 1.169 366 A CA 1.654 53.670 52.037 -0.036 0.000 0.635 366 A CB -0.797 18.313 19.000 0.182 0.000 0.810 366 A HN 0.735 nan 8.150 nan 0.000 0.445 367 W N 0.742 121.808 121.300 -0.390 0.000 2.355 367 W HA -0.158 4.502 4.660 -0.001 0.000 0.309 367 W C 1.710 178.044 176.519 -0.309 0.000 1.206 367 W CA 1.863 58.997 57.345 -0.352 0.000 1.284 367 W CB -0.407 28.709 29.460 -0.574 0.000 1.145 367 W HN 0.245 nan 8.180 nan 0.000 0.502 368 L N 0.426 121.430 121.223 -0.365 0.000 1.990 368 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 368 L C 2.633 179.225 176.870 -0.464 0.000 1.072 368 L CA 2.218 56.700 54.840 -0.597 0.000 0.755 368 L CB -1.119 40.593 42.059 -0.578 0.000 0.889 368 L HN 0.112 nan 8.230 nan 0.000 0.432 369 E N 0.066 120.089 120.200 -0.295 0.000 2.085 369 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 369 E C 2.171 178.659 176.600 -0.188 0.000 0.994 369 E CA 1.271 57.558 56.400 -0.189 0.000 0.801 369 E CB -0.009 29.624 29.700 -0.112 0.000 0.743 369 E HN 0.480 nan 8.360 nan 0.000 0.453 370 A N 0.434 123.122 122.820 -0.220 0.000 1.877 370 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 370 A C 2.418 179.857 177.584 -0.242 0.000 1.186 370 A CA 1.480 53.405 52.037 -0.186 0.000 0.620 370 A CB -0.709 18.201 19.000 -0.151 0.000 0.822 370 A HN 0.231 nan 8.150 nan 0.000 0.443 371 V N 0.164 119.814 119.914 -0.441 0.000 2.295 371 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 371 V C 2.585 178.554 176.094 -0.207 0.000 1.049 371 V CA 2.030 64.084 62.300 -0.410 0.000 1.024 371 V CB -0.754 30.618 31.823 -0.753 0.000 0.648 371 V HN 0.570 nan 8.190 nan 0.000 0.447 372 L N -0.743 120.369 121.223 -0.184 0.000 2.046 372 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 372 L C 2.766 179.622 176.870 -0.023 0.000 1.077 372 L CA 1.632 56.443 54.840 -0.049 0.000 0.747 372 L CB -0.609 41.434 42.059 -0.026 0.000 0.896 372 L HN 0.219 nan 8.230 nan 0.000 0.432 373 R N -0.042 120.427 120.500 -0.051 0.000 2.096 373 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 373 R C 2.294 178.580 176.300 -0.022 0.000 1.127 373 R CA 1.212 57.294 56.100 -0.028 0.000 0.968 373 R CB -0.356 29.921 30.300 -0.038 0.000 0.861 373 R HN 0.331 nan 8.270 nan 0.000 0.440 374 L N 0.388 121.587 121.223 -0.040 0.000 2.056 374 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 374 L C 2.236 179.097 176.870 -0.014 0.000 1.078 374 L CA 1.026 55.850 54.840 -0.027 0.000 0.749 374 L CB -0.288 41.750 42.059 -0.036 0.000 0.901 374 L HN 0.212 nan 8.230 nan 0.000 0.433 375 L N -0.516 120.699 121.223 -0.013 0.000 2.291 375 L HA -0.112 4.227 4.340 -0.001 0.000 0.214 375 L C 2.767 179.661 176.870 0.041 0.000 1.120 375 L CA 0.638 55.486 54.840 0.014 0.000 0.799 375 L CB -0.632 41.451 42.059 0.040 0.000 0.925 375 L HN 0.224 nan 8.230 nan 0.000 0.446 376 A N -0.234 122.608 122.820 0.037 0.000 1.972 376 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 376 A C 1.833 179.436 177.584 0.031 0.000 1.169 376 A CA 1.233 53.295 52.037 0.042 0.000 0.635 376 A CB -0.199 18.821 19.000 0.034 0.000 0.810 376 A HN 0.545 nan 8.150 nan 0.000 0.446 377 Q N -0.323 119.489 119.800 0.020 0.000 2.186 377 Q HA 0.170 4.509 4.340 -0.001 0.000 0.241 377 Q C -0.431 175.577 176.000 0.014 0.000 0.849 377 Q CA -0.380 55.432 55.803 0.016 0.000 1.053 377 Q CB 0.243 28.987 28.738 0.010 0.000 1.146 377 Q HN 0.465 nan 8.270 nan 0.000 0.475 378 N N 2.158 120.869 118.700 0.017 0.000 2.422 378 N HA 0.133 4.872 4.740 -0.001 0.000 0.266 378 N C -1.739 173.782 175.510 0.019 0.000 1.007 378 N CA -1.601 51.457 53.050 0.012 0.000 0.941 378 N CB 1.536 40.026 38.487 0.005 0.000 1.115 378 N HN 0.011 nan 8.380 nan 0.000 0.492 379 P HA -0.005 nan 4.420 nan 0.000 0.225 379 P C 0.332 177.643 177.300 0.017 0.000 1.156 379 P CA 1.002 64.112 63.100 0.015 0.000 0.787 379 P CB 0.721 32.427 31.700 0.010 0.000 0.802 380 K N -0.604 119.804 120.400 0.013 0.000 2.276 380 K HA 0.170 4.489 4.320 -0.001 0.000 0.198 380 K C 0.425 177.042 176.600 0.028 0.000 1.052 380 K CA 0.453 56.748 56.287 0.014 0.000 0.984 380 K CB 0.500 33.001 32.500 0.001 0.000 0.836 380 K HN -0.033 nan 8.250 nan 0.000 0.490 381 V N 2.269 122.201 119.914 0.030 0.000 2.407 381 V HA 0.309 4.429 4.120 -0.001 0.000 0.291 381 V C -0.806 175.340 176.094 0.086 0.000 1.018 381 V CA -0.974 61.360 62.300 0.057 0.000 0.842 381 V CB 1.423 33.253 31.823 0.011 0.000 0.996 381 V HN 0.125 nan 8.190 nan 0.000 0.426 382 R N 7.299 127.872 120.500 0.122 0.000 2.295 382 R HA 0.505 4.844 4.340 -0.001 0.000 0.324 382 R C -2.670 173.748 176.300 0.196 0.000 0.968 382 R CA -1.785 54.392 56.100 0.128 0.000 0.837 382 R CB 1.957 32.312 30.300 0.093 0.000 1.133 382 R HN 0.466 nan 8.270 nan 0.000 0.450 383 P HA 0.048 nan 4.420 nan 0.000 0.276 383 P C -0.828 176.571 177.300 0.164 0.000 1.243 383 P CA -0.154 63.118 63.100 0.287 0.000 0.768 383 P CB 1.390 33.270 31.700 0.299 0.000 0.856 384 V N 0.481 120.464 119.914 0.115 0.000 3.130 384 V HA 0.726 4.845 4.120 -0.001 0.000 0.310 384 V C 0.207 176.321 176.094 0.034 0.000 1.158 384 V CA -0.910 61.427 62.300 0.062 0.000 1.029 384 V CB 1.348 33.198 31.823 0.044 0.000 1.057 384 V HN 0.630 nan 8.190 nan 0.000 0.436 385 T N -0.602 113.963 114.554 0.019 0.000 2.788 385 T HA 0.636 4.985 4.350 -0.001 0.000 0.287 385 T C 1.359 176.060 174.700 0.001 0.000 1.007 385 T CA 0.202 62.311 62.100 0.014 0.000 1.005 385 T CB 1.228 70.100 68.868 0.007 0.000 1.012 385 T HN 1.678 nan 8.240 nan 0.000 0.530 386 A N 0.619 123.465 122.820 0.044 0.000 1.902 386 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 386 A C 2.483 179.856 177.584 -0.352 0.000 1.181 386 A CA 1.784 53.825 52.037 0.008 0.000 0.623 386 A CB -0.940 18.262 19.000 0.337 0.000 0.818 386 A HN 0.966 nan 8.150 nan 0.000 0.443 387 R N -0.186 120.130 120.500 -0.306 0.000 2.091 387 R HA -0.223 4.117 4.340 -0.001 0.000 0.238 387 R C 2.170 178.325 176.300 -0.242 0.000 1.136 387 R CA 2.055 57.924 56.100 -0.385 0.000 0.959 387 R CB -0.281 30.023 30.300 0.007 0.000 0.856 387 R HN 0.705 nan 8.270 nan 0.000 0.437 388 E N -0.481 119.648 120.200 -0.118 0.000 2.152 388 E HA -0.112 4.238 4.350 -0.001 0.000 0.192 388 E C 1.710 178.264 176.600 -0.076 0.000 0.983 388 E CA 0.938 57.297 56.400 -0.068 0.000 0.818 388 E CB -0.066 29.620 29.700 -0.022 0.000 0.758 388 E HN 0.477 nan 8.360 nan 0.000 0.467 389 A N 0.709 123.473 122.820 -0.093 0.000 1.972 389 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 389 A C 2.212 179.745 177.584 -0.085 0.000 1.169 389 A CA 1.517 53.518 52.037 -0.061 0.000 0.635 389 A CB -0.587 18.394 19.000 -0.033 0.000 0.810 389 A HN 0.341 nan 8.150 nan 0.000 0.446 390 V N -2.514 117.288 119.914 -0.187 0.000 3.633 390 V HA 0.113 4.232 4.120 -0.001 0.000 0.283 390 V C 0.500 176.537 176.094 -0.096 0.000 1.305 390 V CA -0.151 62.053 62.300 -0.162 0.000 1.153 390 V CB -1.129 30.524 31.823 -0.283 0.000 0.950 390 V HN 0.543 nan 8.190 nan 0.000 0.432 391 Q N 1.158 120.913 119.800 -0.076 0.000 2.312 391 Q HA 0.587 4.927 4.340 -0.001 0.000 0.236 391 Q C 0.764 176.754 176.000 -0.018 0.000 0.965 391 Q CA 0.507 56.286 55.803 -0.039 0.000 0.894 391 Q CB 1.339 30.058 28.738 -0.030 0.000 1.225 391 Q HN 0.719 nan 8.270 nan 0.000 0.478 392 G N 1.048 109.842 108.800 -0.010 0.000 2.627 392 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.214 392 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.214 392 G C -2.540 172.356 174.900 -0.005 0.000 1.331 392 G CA -1.255 43.844 45.100 -0.002 0.000 0.891 392 G HN 0.522 nan 8.290 nan 0.000 0.539 393 P HA 0.483 nan 4.420 nan 0.000 0.265 393 P C 0.013 177.299 177.300 -0.023 0.000 1.187 393 P CA 1.098 64.192 63.100 -0.010 0.000 0.766 393 P CB 0.902 32.605 31.700 0.005 0.000 0.820 394 A N 2.325 125.110 122.820 -0.058 0.000 2.539 394 A HA 0.578 4.897 4.320 -0.001 0.000 0.296 394 A C -1.025 176.465 177.584 -0.156 0.000 1.073 394 A CA -0.626 51.353 52.037 -0.098 0.000 0.700 394 A CB 1.321 20.281 19.000 -0.067 0.000 1.296 394 A HN 0.307 nan 8.150 nan 0.000 0.405 395 V N 2.304 122.062 119.914 -0.261 0.000 2.432 395 V HA 0.291 4.410 4.120 -0.001 0.000 0.275 395 V C 0.476 176.490 176.094 -0.133 0.000 1.043 395 V CA -0.403 61.736 62.300 -0.269 0.000 0.925 395 V CB 1.120 32.666 31.823 -0.462 0.000 0.985 395 V HN 0.851 nan 8.190 nan 0.000 0.466 396 R N 3.302 123.754 120.500 -0.080 0.000 2.316 396 R HA 0.468 4.807 4.340 -0.001 0.000 0.314 396 R C -0.323 175.976 176.300 -0.001 0.000 1.069 396 R CA 0.033 56.112 56.100 -0.035 0.000 0.959 396 R CB 0.509 30.788 30.300 -0.035 0.000 0.987 396 R HN 0.743 nan 8.270 nan 0.000 0.446 397 T N 0.807 115.378 114.554 0.027 0.000 2.903 397 T HA 0.574 4.923 4.350 -0.001 0.000 0.299 397 T C -0.962 173.732 174.700 -0.011 0.000 1.093 397 T CA -0.778 61.347 62.100 0.042 0.000 1.002 397 T CB 2.108 71.071 68.868 0.157 0.000 1.127 397 T HN 0.609 nan 8.240 nan 0.000 0.488 398 A N 2.330 125.138 122.820 -0.020 0.000 2.318 398 A HA 0.840 5.159 4.320 -0.001 0.000 0.324 398 A C -0.858 176.697 177.584 -0.049 0.000 1.170 398 A CA -0.700 51.324 52.037 -0.022 0.000 0.810 398 A CB 0.482 19.481 19.000 -0.002 0.000 1.198 398 A HN 0.784 nan 8.150 nan 0.000 0.484 399 L N 4.251 125.442 121.223 -0.054 0.000 2.307 399 L HA 0.486 4.825 4.340 -0.001 0.000 0.284 399 L C -1.915 175.003 176.870 0.080 0.000 1.023 399 L CA -1.937 52.847 54.840 -0.094 0.000 0.810 399 L CB 1.985 43.797 42.059 -0.413 0.000 1.231 399 L HN 0.573 nan 8.230 nan 0.000 0.423 400 P HA 0.100 nan 4.420 nan 0.000 0.279 400 P C -0.884 176.491 177.300 0.126 0.000 1.282 400 P CA -0.534 62.604 63.100 0.063 0.000 0.788 400 P CB 0.908 32.620 31.700 0.020 0.000 1.139 401 E N -0.929 119.324 120.200 0.088 0.000 2.331 401 E HA 0.502 4.851 4.350 -0.001 0.000 0.272 401 E C -0.063 176.574 176.600 0.062 0.000 1.036 401 E CA -0.403 56.052 56.400 0.090 0.000 0.864 401 E CB 0.260 30.005 29.700 0.075 0.000 1.035 401 E HN 0.724 nan 8.360 nan 0.000 0.408 402 G N 1.367 110.224 108.800 0.095 0.000 2.321 402 G HA2 0.373 4.332 3.960 -0.001 0.000 0.296 402 G HA3 0.373 4.332 3.960 -0.001 0.000 0.296 402 G C -1.206 173.796 174.900 0.169 0.000 1.287 402 G CA -0.095 45.058 45.100 0.088 0.000 0.846 402 G HN 0.754 nan 8.290 nan 0.000 0.508 403 S N -1.706 114.154 115.700 0.268 0.000 2.752 403 S HA 0.617 5.086 4.470 -0.001 0.000 0.284 403 S C -0.489 174.397 174.600 0.476 0.000 1.189 403 S CA 0.218 58.594 58.200 0.293 0.000 0.835 403 S CB 1.252 64.718 63.200 0.443 0.000 1.192 403 S HN 2.145 nan 8.310 nan 0.000 0.506 404 W N 1.313 122.747 121.300 0.223 0.000 3.223 404 W HA 0.605 5.265 4.660 -0.001 0.000 0.389 404 W C 0.159 176.839 176.519 0.268 0.000 1.118 404 W CA -0.830 56.640 57.345 0.209 0.000 1.902 404 W CB -1.241 28.273 29.460 0.091 0.000 1.094 404 W HN 0.838 nan 8.180 nan 0.000 0.666 405 G N 1.587 110.831 108.800 0.739 0.000 2.547 405 G HA2 0.272 4.232 3.960 -0.001 0.000 0.291 405 G HA3 0.272 4.232 3.960 -0.001 0.000 0.291 405 G C -0.402 174.665 174.900 0.279 0.000 1.211 405 G CA -1.202 44.271 45.100 0.621 0.000 0.950 405 G HN 0.184 nan 8.290 nan 0.000 0.504 406 R N -0.445 120.130 120.500 0.125 0.000 2.504 406 R HA 0.254 4.593 4.340 -0.001 0.000 0.291 406 R C 1.413 177.742 176.300 0.047 0.000 0.974 406 R CA 1.481 57.597 56.100 0.026 0.000 1.077 406 R CB -0.281 29.995 30.300 -0.041 0.000 0.926 406 R HN 1.277 nan 8.270 nan 0.000 0.407 407 G N 2.341 111.142 108.800 0.001 0.000 2.199 407 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.254 407 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.254 407 G C 0.798 175.686 174.900 -0.021 0.000 0.982 407 G CA 0.312 45.406 45.100 -0.010 0.000 0.632 407 G HN 1.454 nan 8.290 nan 0.000 0.529 408 G N -0.357 108.451 108.800 0.013 0.000 2.166 408 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.260 408 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.260 408 G C 0.404 175.466 174.900 0.271 0.000 0.986 408 G CA 1.754 46.881 45.100 0.046 0.000 0.683 408 G HN 1.848 nan 8.290 nan 0.000 0.527 409 D N -2.534 117.985 120.400 0.197 0.000 2.947 409 D HA 0.439 5.078 4.640 -0.001 0.000 0.211 409 D C 0.914 177.373 176.300 0.265 0.000 1.326 409 D CA -0.178 53.850 54.000 0.047 0.000 1.095 409 D CB -0.106 40.661 40.800 -0.056 0.000 1.206 409 D HN 0.082 nan 8.370 nan 0.000 0.619 410 H N -0.729 118.573 119.070 0.387 0.000 2.755 410 H HA 0.238 4.793 4.556 -0.001 0.000 0.273 410 H C 1.720 177.252 175.328 0.339 0.000 1.055 410 H CA 0.120 56.461 56.048 0.487 0.000 1.191 410 H CB 0.244 30.252 29.762 0.410 0.000 1.536 410 H HN 0.410 nan 8.280 nan 0.000 0.529 411 R N 0.897 121.565 120.500 0.279 0.000 2.153 411 R HA -0.110 4.229 4.340 -0.001 0.000 0.252 411 R C 1.255 177.571 176.300 0.027 0.000 1.158 411 R CA 1.633 57.812 56.100 0.131 0.000 0.975 411 R CB -1.315 29.021 30.300 0.061 0.000 0.871 411 R HN 0.054 nan 8.270 nan 0.000 0.450 412 V N 0.187 120.033 119.914 -0.113 0.000 2.407 412 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 412 V C 2.056 177.810 176.094 -0.566 0.000 1.055 412 V CA 1.786 63.761 62.300 -0.541 0.000 1.049 412 V CB -0.595 30.516 31.823 -1.187 0.000 0.662 412 V HN 0.449 nan 8.190 nan 0.000 0.455 413 W N -1.630 119.690 121.300 0.033 0.000 3.013 413 W HA 0.402 5.061 4.660 -0.001 0.000 0.280 413 W C 0.652 177.329 176.519 0.262 0.000 1.249 413 W CA -0.249 57.121 57.345 0.042 0.000 1.577 413 W CB 0.640 29.956 29.460 -0.241 0.000 1.057 413 W HN 0.135 nan 8.180 nan 0.000 0.613 414 L N 3.721 125.170 121.223 0.376 0.000 2.316 414 L HA 0.308 4.647 4.340 -0.001 0.000 0.280 414 L C -0.493 176.499 176.870 0.203 0.000 1.006 414 L CA 0.087 55.118 54.840 0.320 0.000 0.836 414 L CB 0.325 42.485 42.059 0.168 0.000 1.221 414 L HN 0.011 nan 8.230 nan 0.000 0.418 415 N N 1.715 120.532 118.700 0.196 0.000 3.373 415 N HA -0.000 4.739 4.740 -0.001 0.000 0.275 415 N C 0.083 175.661 175.510 0.114 0.000 1.489 415 N CA -0.659 52.460 53.050 0.116 0.000 0.872 415 N CB 0.953 39.475 38.487 0.058 0.000 1.555 415 N HN 0.233 nan 8.380 nan 0.000 0.500 416 E N 0.751 120.996 120.200 0.075 0.000 2.068 416 E HA -0.190 4.160 4.350 -0.001 0.000 0.207 416 E C 1.226 177.873 176.600 0.079 0.000 1.032 416 E CA 2.278 58.719 56.400 0.069 0.000 0.839 416 E CB -0.080 29.645 29.700 0.042 0.000 0.758 416 E HN 0.549 nan 8.360 nan 0.000 0.457 417 K N -1.107 119.330 120.400 0.062 0.000 2.362 417 K HA -0.054 4.265 4.320 -0.001 0.000 0.200 417 K C 1.535 178.191 176.600 0.092 0.000 1.046 417 K CA 1.441 57.766 56.287 0.063 0.000 0.952 417 K CB 0.016 32.531 32.500 0.026 0.000 0.753 417 K HN 0.332 nan 8.250 nan 0.000 0.466 418 T N -2.432 112.195 114.554 0.122 0.000 3.129 418 T HA 0.231 4.580 4.350 -0.001 0.000 0.267 418 T C 1.507 176.363 174.700 0.261 0.000 1.018 418 T CA -0.313 61.879 62.100 0.153 0.000 0.903 418 T CB -0.026 68.946 68.868 0.173 0.000 1.067 418 T HN -0.024 nan 8.240 nan 0.000 0.549 419 L N 1.102 122.458 121.223 0.223 0.000 2.017 419 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 419 L C 2.794 179.773 176.870 0.181 0.000 1.073 419 L CA 1.946 56.923 54.840 0.229 0.000 0.745 419 L CB -0.646 41.510 42.059 0.162 0.000 0.894 419 L HN 0.416 nan 8.230 nan 0.000 0.432 420 D N -0.372 120.120 120.400 0.153 0.000 2.149 420 D HA -0.275 4.364 4.640 -0.001 0.000 0.198 420 D C 2.085 178.422 176.300 0.062 0.000 0.990 420 D CA 1.304 55.391 54.000 0.144 0.000 0.839 420 D CB 0.079 41.002 40.800 0.205 0.000 0.948 420 D HN 0.339 nan 8.370 nan 0.000 0.460 421 Y N 0.207 120.379 120.300 -0.214 0.000 2.070 421 Y HA -0.231 4.318 4.550 -0.001 0.000 0.280 421 Y C 2.092 177.695 175.900 -0.496 0.000 1.148 421 Y CA 2.044 59.734 58.100 -0.683 0.000 1.125 421 Y CB -1.017 36.867 38.460 -0.959 0.000 0.975 421 Y HN 0.000 nan 8.280 nan 0.000 0.492 422 W N 0.972 122.046 121.300 -0.377 0.000 2.374 422 W HA -0.122 4.538 4.660 -0.001 0.000 0.288 422 W C 2.552 178.674 176.519 -0.662 0.000 1.218 422 W CA 1.489 58.444 57.345 -0.651 0.000 1.245 422 W CB -0.357 28.848 29.460 -0.426 0.000 1.126 422 W HN 0.208 nan 8.180 nan 0.000 0.545 423 E N 0.860 121.017 120.200 -0.073 0.000 2.038 423 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 423 E C 1.928 178.556 176.600 0.047 0.000 1.000 423 E CA 1.579 58.015 56.400 0.060 0.000 0.803 423 E CB -0.063 29.699 29.700 0.104 0.000 0.750 423 E HN 0.198 nan 8.360 nan 0.000 0.448 424 K N -0.233 120.151 120.400 -0.027 0.000 2.148 424 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 424 K C 2.074 178.664 176.600 -0.018 0.000 1.050 424 K CA 0.874 57.201 56.287 0.066 0.000 0.942 424 K CB 0.148 32.728 32.500 0.134 0.000 0.724 424 K HN 0.048 nan 8.250 nan 0.000 0.446 425 V N 0.690 120.432 119.914 -0.287 0.000 2.307 425 V HA -0.250 3.869 4.120 -0.001 0.000 0.245 425 V C 1.963 178.109 176.094 0.086 0.000 1.045 425 V CA 1.624 63.764 62.300 -0.267 0.000 1.024 425 V CB -0.531 30.984 31.823 -0.513 0.000 0.651 425 V HN 0.201 nan 8.190 nan 0.000 0.449 426 Y N 0.534 120.940 120.300 0.176 0.000 2.181 426 Y HA -0.171 4.379 4.550 -0.001 0.000 0.288 426 Y C 2.660 178.715 175.900 0.259 0.000 1.146 426 Y CA 1.548 59.828 58.100 0.300 0.000 1.164 426 Y CB -0.920 37.728 38.460 0.313 0.000 0.982 426 Y HN 0.173 nan 8.280 nan 0.000 0.515 427 R N 0.402 121.128 120.500 0.376 0.000 2.073 427 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 427 R C 2.359 178.867 176.300 0.347 0.000 1.134 427 R CA 1.461 57.759 56.100 0.331 0.000 0.952 427 R CB -0.426 30.046 30.300 0.287 0.000 0.850 427 R HN 0.266 nan 8.270 nan 0.000 0.433 428 A N 1.143 124.117 122.820 0.257 0.000 1.902 428 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 428 A C 1.922 179.291 177.584 -0.357 0.000 1.181 428 A CA 1.705 53.572 52.037 -0.283 0.000 0.623 428 A CB -0.474 17.970 19.000 -0.927 0.000 0.818 428 A HN 0.558 nan 8.150 nan 0.000 0.443 429 E N -0.696 119.393 120.200 -0.185 0.000 2.110 429 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 429 E C 2.095 178.456 176.600 -0.399 0.000 0.988 429 E CA 0.807 57.089 56.400 -0.198 0.000 0.804 429 E CB -0.357 29.371 29.700 0.048 0.000 0.745 429 E HN 0.621 nan 8.360 nan 0.000 0.458 430 G N 1.483 110.046 108.800 -0.395 0.000 2.402 430 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.216 430 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.216 430 G C 0.831 175.666 174.900 -0.108 0.000 1.162 430 G CA 0.593 45.437 45.100 -0.427 0.000 0.777 430 G HN 0.361 nan 8.290 nan 0.000 0.539 434 E N 1.471 121.670 120.200 -0.001 0.000 2.038 434 E HA -0.026 4.323 4.350 -0.001 0.000 0.195 434 E C 1.595 178.204 176.600 0.016 0.000 1.000 434 E CA 2.359 58.773 56.400 0.023 0.000 0.803 434 E CB -0.195 29.527 29.700 0.036 0.000 0.750 434 E HN 0.464 nan 8.360 nan 0.000 0.448 435 A N 0.591 123.410 122.820 -0.001 0.000 1.940 435 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 435 A C 2.400 179.977 177.584 -0.011 0.000 1.176 435 A CA 2.277 54.302 52.037 -0.019 0.000 0.631 435 A CB -0.979 17.986 19.000 -0.057 0.000 0.814 435 A HN 0.387 nan 8.150 nan 0.000 0.446 436 A N -0.361 122.457 122.820 -0.004 0.000 1.930 436 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 436 A C 2.253 179.867 177.584 0.050 0.000 1.175 436 A CA 1.380 53.438 52.037 0.035 0.000 0.627 436 A CB -0.389 18.663 19.000 0.087 0.000 0.815 436 A HN 0.567 nan 8.150 nan 0.000 0.443 437 R N -0.621 119.909 120.500 0.049 0.000 2.062 437 R HA -0.057 4.282 4.340 -0.001 0.000 0.231 437 R C 2.472 178.791 176.300 0.032 0.000 1.136 437 R CA 1.483 57.611 56.100 0.047 0.000 0.948 437 R CB -0.352 29.977 30.300 0.047 0.000 0.845 437 R HN 0.455 nan 8.270 nan 0.000 0.430 438 R N -0.234 120.280 120.500 0.024 0.000 2.103 438 R HA -0.091 4.248 4.340 -0.001 0.000 0.242 438 R C 1.400 177.708 176.300 0.013 0.000 1.142 438 R CA 1.175 57.285 56.100 0.016 0.000 0.960 438 R CB -0.468 29.838 30.300 0.011 0.000 0.858 438 R HN 0.505 nan 8.270 nan 0.000 0.439 439 G N 0.323 109.130 108.800 0.012 0.000 2.258 439 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.274 439 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.274 439 G C 0.751 175.654 174.900 0.004 0.000 1.021 439 G CA 0.595 45.701 45.100 0.011 0.000 0.798 439 G HN 0.344 nan 8.290 nan 0.000 0.507 440 V N -2.829 117.083 119.914 -0.003 0.000 2.685 440 V HA 0.427 4.546 4.120 -0.001 0.000 0.244 440 V C 1.836 177.922 176.094 -0.013 0.000 1.054 440 V CA 0.674 62.971 62.300 -0.006 0.000 1.076 440 V CB -0.362 31.458 31.823 -0.006 0.000 0.725 440 V HN 0.357 nan 8.190 nan 0.000 0.467 441 L N 1.453 122.662 121.223 -0.023 0.000 2.483 441 L HA 0.273 4.613 4.340 -0.001 0.000 0.275 441 L C -1.938 174.916 176.870 -0.026 0.000 1.220 441 L CA -1.406 53.413 54.840 -0.034 0.000 0.833 441 L CB -0.262 41.763 42.059 -0.057 0.000 1.102 441 L HN 0.124 nan 8.230 nan 0.000 0.490 442 P HA -0.041 nan 4.420 nan 0.000 0.267 442 P C 0.420 177.712 177.300 -0.013 0.000 1.200 442 P CA -0.086 63.004 63.100 -0.017 0.000 0.772 442 P CB 0.541 32.230 31.700 -0.020 0.000 0.855 443 E N 1.985 122.184 120.200 -0.002 0.000 2.049 443 E HA -0.235 4.114 4.350 -0.001 0.000 0.198 443 E C 2.024 178.628 176.600 0.005 0.000 1.007 443 E CA 1.992 58.396 56.400 0.006 0.000 0.809 443 E CB -0.822 28.886 29.700 0.012 0.000 0.749 443 E HN 0.651 nan 8.360 nan 0.000 0.450 444 G N 0.486 109.288 108.800 0.004 0.000 2.440 444 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 444 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 444 G C 1.678 176.575 174.900 -0.004 0.000 1.154 444 G CA 1.077 46.181 45.100 0.007 0.000 0.767 444 G HN 0.273 nan 8.290 nan 0.000 0.552 445 V N 0.754 120.654 119.914 -0.023 0.000 2.407 445 V HA -0.098 4.021 4.120 -0.001 0.000 0.248 445 V C 2.891 178.950 176.094 -0.058 0.000 1.055 445 V CA 1.348 63.618 62.300 -0.050 0.000 1.049 445 V CB -0.325 31.456 31.823 -0.070 0.000 0.662 445 V HN 0.350 nan 8.190 nan 0.000 0.455 446 L N -0.738 120.461 121.223 -0.041 0.000 2.093 446 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 446 L C 2.785 179.652 176.870 -0.005 0.000 1.085 446 L CA 1.534 56.351 54.840 -0.038 0.000 0.755 446 L CB -0.501 41.548 42.059 -0.017 0.000 0.904 446 L HN 0.239 nan 8.230 nan 0.000 0.435 447 R N -0.579 119.932 120.500 0.018 0.000 2.066 447 R HA -0.196 4.143 4.340 -0.001 0.000 0.232 447 R C 2.308 178.643 176.300 0.057 0.000 1.131 447 R CA 1.269 57.398 56.100 0.049 0.000 0.955 447 R CB -0.265 30.067 30.300 0.052 0.000 0.851 447 R HN 0.185 nan 8.270 nan 0.000 0.432 448 Q N 1.014 120.836 119.800 0.036 0.000 2.119 448 Q HA 0.023 4.362 4.340 -0.001 0.000 0.201 448 Q C 0.436 176.467 176.000 0.051 0.000 0.972 448 Q CA 1.317 57.148 55.803 0.046 0.000 0.847 448 Q CB -0.225 28.530 28.738 0.029 0.000 0.903 448 Q HN 0.325 nan 8.270 nan 0.000 0.433 452 E N 1.745 122.025 120.200 0.134 0.000 2.110 452 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 452 E C 1.850 178.497 176.600 0.078 0.000 0.988 452 E CA 1.081 57.572 56.400 0.151 0.000 0.804 452 E CB 0.016 29.879 29.700 0.272 0.000 0.745 452 E HN 0.112 nan 8.360 nan 0.000 0.458 453 L N 0.850 122.110 121.223 0.061 0.000 1.994 453 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 453 L C 2.262 179.113 176.870 -0.032 0.000 1.071 453 L CA 1.520 56.258 54.840 -0.169 0.000 0.745 453 L CB -0.761 41.156 42.059 -0.236 0.000 0.892 453 L HN 0.058 nan 8.230 nan 0.000 0.431 454 L N -1.058 120.194 121.223 0.048 0.000 2.012 454 L HA -0.274 4.065 4.340 -0.001 0.000 0.210 454 L C 2.600 179.523 176.870 0.088 0.000 1.073 454 L CA 1.605 56.493 54.840 0.081 0.000 0.748 454 L CB -0.668 41.456 42.059 0.107 0.000 0.891 454 L HN 0.330 nan 8.230 nan 0.000 0.431 455 L N -0.803 120.429 121.223 0.015 0.000 2.083 455 L HA -0.243 4.096 4.340 -0.001 0.000 0.209 455 L C 2.545 179.537 176.870 0.203 0.000 1.083 455 L CA 0.793 55.595 54.840 -0.063 0.000 0.752 455 L CB -0.472 41.201 42.059 -0.643 0.000 0.899 455 L HN 0.262 nan 8.230 nan 0.000 0.433 456 L N 0.012 121.335 121.223 0.166 0.000 2.083 456 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 456 L C 2.201 179.288 176.870 0.363 0.000 1.083 456 L CA 1.753 56.805 54.840 0.353 0.000 0.752 456 L CB -0.491 41.633 42.059 0.109 0.000 0.899 456 L HN 0.221 nan 8.230 nan 0.000 0.433 457 E N 0.419 120.722 120.200 0.172 0.000 2.516 457 E HA 0.064 4.413 4.350 -0.001 0.000 0.199 457 E C 0.867 177.557 176.600 0.151 0.000 1.069 457 E CA 0.272 56.758 56.400 0.144 0.000 0.876 457 E CB -0.243 29.522 29.700 0.109 0.000 0.843 457 E HN 0.600 nan 8.360 nan 0.000 0.530 458 A N 1.644 124.510 122.820 0.076 0.000 2.545 458 A HA 0.003 4.323 4.320 -0.001 0.000 0.253 458 A C 1.460 178.919 177.584 -0.209 0.000 1.074 458 A CA 0.350 52.294 52.037 -0.154 0.000 0.760 458 A CB 0.163 18.835 19.000 -0.546 0.000 1.005 458 A HN 0.254 nan 8.150 nan 0.000 0.506 459 S N 1.446 117.160 115.700 0.022 0.000 2.507 459 S HA -0.119 4.351 4.470 -0.001 0.000 0.235 459 S C 0.888 175.574 174.600 0.144 0.000 0.988 459 S CA 1.198 59.473 58.200 0.125 0.000 0.944 459 S CB -0.250 63.083 63.200 0.221 0.000 0.762 459 S HN 0.743 nan 8.310 nan 0.000 0.526 460 D N 1.173 121.512 120.400 -0.101 0.000 2.178 460 D HA -0.101 4.539 4.640 -0.001 0.000 0.201 460 D C 1.344 177.677 176.300 0.055 0.000 0.980 460 D CA 1.146 55.104 54.000 -0.070 0.000 0.842 460 D CB -0.192 40.410 40.800 -0.329 0.000 0.948 460 D HN 0.677 nan 8.370 nan 0.000 0.472 461 W N 1.662 123.009 121.300 0.079 0.000 2.381 461 W HA -0.085 4.574 4.660 -0.001 0.000 0.321 461 W C -0.229 176.177 176.519 -0.190 0.000 1.196 461 W CA 0.063 57.379 57.345 -0.049 0.000 1.304 461 W CB -1.738 27.670 29.460 -0.086 0.000 1.166 461 W HN 0.054 nan 8.180 nan 0.000 0.473 462 P HA -0.240 nan 4.420 nan 0.000 0.218 462 P C 1.353 178.632 177.300 -0.034 0.000 1.148 462 P CA 1.540 64.481 63.100 -0.266 0.000 0.822 462 P CB -0.468 30.976 31.700 -0.427 0.000 0.784 463 F N 0.706 120.649 119.950 -0.011 0.000 2.075 463 F HA -0.069 4.458 4.527 -0.001 0.000 0.297 463 F C 1.539 177.292 175.800 -0.079 0.000 1.113 463 F CA 0.963 58.915 58.000 -0.080 0.000 1.218 463 F CB -0.882 38.232 39.000 0.190 0.000 0.984 463 F HN -0.283 nan 8.300 nan 0.000 0.472 467 T N -1.672 112.601 114.554 -0.468 0.000 2.857 467 T HA 0.328 4.677 4.350 -0.001 0.000 0.266 467 T C 1.862 176.408 174.700 -0.257 0.000 1.048 467 T CA 1.583 63.418 62.100 -0.441 0.000 1.139 467 T CB -0.224 68.239 68.868 -0.675 0.000 0.874 467 T HN 1.200 nan 8.240 nan 0.000 0.455 468 G N 0.699 109.371 108.800 -0.213 0.000 2.144 468 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 468 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 468 G C 0.675 175.511 174.900 -0.106 0.000 0.988 468 G CA 0.355 45.378 45.100 -0.128 0.000 0.659 468 G HN 0.551 nan 8.290 nan 0.000 0.522 469 Q N -0.476 119.243 119.800 -0.135 0.000 2.297 469 Q HA 0.421 4.761 4.340 -0.001 0.000 0.204 469 Q C 1.409 177.341 176.000 -0.114 0.000 0.962 469 Q CA 1.313 57.056 55.803 -0.101 0.000 0.879 469 Q CB 0.194 28.876 28.738 -0.093 0.000 0.947 469 Q HN 1.398 nan 8.270 nan 0.000 0.462 470 A N -0.046 122.712 122.820 -0.103 0.000 2.249 470 A HA 0.063 4.382 4.320 -0.001 0.000 0.238 470 A C 0.133 177.735 177.584 0.030 0.000 1.638 470 A CA -0.429 51.578 52.037 -0.050 0.000 1.716 470 A CB -0.391 18.528 19.000 -0.135 0.000 0.959 470 A HN 0.192 nan 8.150 nan 0.000 0.901 471 E N 0.852 121.055 120.200 0.005 0.000 2.031 471 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 471 E C 2.154 178.777 176.600 0.038 0.000 0.994 471 E CA 1.662 58.072 56.400 0.016 0.000 0.800 471 E CB 0.015 29.710 29.700 -0.009 0.000 0.752 471 E HN 0.878 nan 8.360 nan 0.000 0.447 472 A N 0.217 123.060 122.820 0.039 0.000 1.902 472 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 472 A C 2.045 179.649 177.584 0.033 0.000 1.181 472 A CA 1.561 53.614 52.037 0.027 0.000 0.623 472 A CB -0.907 18.112 19.000 0.032 0.000 0.818 472 A HN 0.564 nan 8.150 nan 0.000 0.443 473 Y N 0.613 120.890 120.300 -0.039 0.000 2.114 473 Y HA -0.099 4.450 4.550 -0.001 0.000 0.284 473 Y C 2.686 178.538 175.900 -0.080 0.000 1.143 473 Y CA 1.478 59.557 58.100 -0.037 0.000 1.135 473 Y CB -0.660 37.807 38.460 0.012 0.000 0.980 473 Y HN 0.299 nan 8.280 nan 0.000 0.499 474 A N 0.726 123.559 122.820 0.021 0.000 1.908 474 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 474 A C 2.402 179.904 177.584 -0.136 0.000 1.181 474 A CA 1.978 54.006 52.037 -0.015 0.000 0.627 474 A CB -0.920 18.224 19.000 0.240 0.000 0.818 474 A HN 0.584 nan 8.150 nan 0.000 0.445 475 R N -0.532 119.923 120.500 -0.075 0.000 2.073 475 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 475 R C 1.925 177.912 176.300 -0.521 0.000 1.134 475 R CA 1.729 57.718 56.100 -0.184 0.000 0.952 475 R CB -0.241 30.004 30.300 -0.090 0.000 0.850 475 R HN 0.444 nan 8.270 nan 0.000 0.433 476 E N 0.300 120.264 120.200 -0.393 0.000 2.110 476 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 476 E C 2.094 178.366 176.600 -0.547 0.000 0.988 476 E CA 0.787 56.940 56.400 -0.411 0.000 0.804 476 E CB -0.148 29.384 29.700 -0.281 0.000 0.745 476 E HN 0.254 nan 8.360 nan 0.000 0.458 477 R N 0.586 120.650 120.500 -0.726 0.000 2.080 477 R HA -0.158 4.181 4.340 -0.001 0.000 0.236 477 R C 2.509 178.308 176.300 -0.835 0.000 1.137 477 R CA 1.639 57.159 56.100 -0.967 0.000 0.943 477 R CB -1.203 28.169 30.300 -1.546 0.000 0.846 477 R HN 0.413 nan 8.270 nan 0.000 0.431 478 Y N 1.305 121.138 120.300 -0.778 0.000 2.293 478 Y HA 0.032 4.582 4.550 -0.001 0.000 0.291 478 Y C 1.692 177.518 175.900 -0.123 0.000 1.137 478 Y CA 0.799 58.682 58.100 -0.362 0.000 1.202 478 Y CB -0.481 37.962 38.460 -0.028 0.000 0.990 478 Y HN -0.066 nan 8.280 nan 0.000 0.537 479 E N 0.644 120.438 120.200 -0.677 0.000 2.110 479 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 479 E C 1.930 178.426 176.600 -0.173 0.000 0.988 479 E CA 1.528 57.676 56.400 -0.421 0.000 0.804 479 E CB -0.110 29.287 29.700 -0.504 0.000 0.745 479 E HN 0.637 nan 8.360 nan 0.000 0.458 480 E N 0.611 120.658 120.200 -0.255 0.000 2.072 480 E HA -0.162 4.187 4.350 -0.001 0.000 0.190 480 E C 1.920 178.461 176.600 -0.098 0.000 0.982 480 E CA 1.204 57.490 56.400 -0.190 0.000 0.803 480 E CB -0.195 29.339 29.700 -0.276 0.000 0.755 480 E HN 0.286 nan 8.360 nan 0.000 0.453 481 H N -0.148 118.920 119.070 -0.004 0.000 2.389 481 H HA 0.057 4.612 4.556 -0.001 0.000 0.299 481 H C 1.858 177.247 175.328 0.102 0.000 1.081 481 H CA 1.417 57.510 56.048 0.074 0.000 1.345 481 H CB -0.453 29.366 29.762 0.095 0.000 1.393 481 H HN 0.349 nan 8.280 nan 0.000 0.520 482 A N 1.491 124.440 122.820 0.215 0.000 1.877 482 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 482 A C 2.529 180.280 177.584 0.278 0.000 1.186 482 A CA 1.448 53.607 52.037 0.204 0.000 0.620 482 A CB -0.451 18.723 19.000 0.290 0.000 0.822 482 A HN 0.238 nan 8.150 nan 0.000 0.443 483 R N 0.014 120.651 120.500 0.228 0.000 2.083 483 R HA -0.162 4.177 4.340 -0.001 0.000 0.237 483 R C 2.234 178.665 176.300 0.218 0.000 1.137 483 R CA 1.820 58.050 56.100 0.216 0.000 0.951 483 R CB -0.604 29.747 30.300 0.085 0.000 0.851 483 R HN 0.431 nan 8.270 nan 0.000 0.434 484 A N 0.378 123.307 122.820 0.182 0.000 1.930 484 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 484 A C 2.025 179.703 177.584 0.156 0.000 1.175 484 A CA 1.183 53.334 52.037 0.190 0.000 0.627 484 A CB -0.751 18.362 19.000 0.188 0.000 0.815 484 A HN 0.512 nan 8.150 nan 0.000 0.443 485 F N -0.184 119.753 119.950 -0.023 0.000 2.075 485 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 485 F C 1.911 177.583 175.800 -0.214 0.000 1.113 485 F CA 1.940 59.821 58.000 -0.198 0.000 1.218 485 F CB -0.435 38.307 39.000 -0.430 0.000 0.984 485 F HN 0.219 nan 8.300 nan 0.000 0.472 486 F N -0.888 119.135 119.950 0.123 0.000 2.259 486 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 486 F C 2.528 178.326 175.800 -0.004 0.000 1.088 486 F CA 1.290 59.297 58.000 0.013 0.000 1.358 486 F CB -0.814 38.289 39.000 0.172 0.000 1.040 486 F HN 0.127 nan 8.300 nan 0.000 0.505 487 H N 0.659 119.792 119.070 0.104 0.000 2.353 487 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 487 H C 2.005 177.316 175.328 -0.027 0.000 1.090 487 H CA 1.686 57.762 56.048 0.048 0.000 1.327 487 H CB -0.392 29.401 29.762 0.050 0.000 1.383 487 H HN 0.214 nan 8.280 nan 0.000 0.508 488 L N -0.401 120.718 121.223 -0.174 0.000 2.083 488 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 488 L C 2.378 179.091 176.870 -0.261 0.000 1.083 488 L CA 0.935 55.613 54.840 -0.271 0.000 0.752 488 L CB -0.251 41.669 42.059 -0.232 0.000 0.899 488 L HN 0.314 nan 8.230 nan 0.000 0.433 489 L N -0.617 120.436 121.223 -0.283 0.000 2.095 489 L HA -0.160 4.180 4.340 -0.001 0.000 0.204 489 L C 2.591 179.402 176.870 -0.097 0.000 1.080 489 L CA 0.978 55.688 54.840 -0.216 0.000 0.759 489 L CB -0.470 41.433 42.059 -0.259 0.000 0.914 489 L HN 0.217 nan 8.230 nan 0.000 0.439 490 K N 0.533 120.910 120.400 -0.039 0.000 2.148 490 K HA -0.030 4.289 4.320 -0.001 0.000 0.204 490 K C 0.332 176.913 176.600 -0.032 0.000 1.050 490 K CA 1.024 57.315 56.287 0.006 0.000 0.942 490 K CB 0.152 32.699 32.500 0.078 0.000 0.724 490 K HN 0.343 nan 8.250 nan 0.000 0.446 491 G N -0.117 108.619 108.800 -0.108 0.000 2.588 491 G HA2 0.307 4.267 3.960 -0.001 0.000 0.239 491 G HA3 0.307 4.267 3.960 -0.001 0.000 0.239 491 G C -1.191 173.563 174.900 -0.244 0.000 1.275 491 G CA -0.347 44.675 45.100 -0.130 0.000 1.181 491 G HN 0.377 nan 8.290 nan 0.000 0.595 492 A N 1.657 124.274 122.820 -0.338 0.000 2.354 492 A HA 0.992 5.312 4.320 -0.001 0.000 0.321 492 A C 0.758 178.255 177.584 -0.144 0.000 1.125 492 A CA 0.227 52.018 52.037 -0.410 0.000 0.799 492 A CB 1.380 20.013 19.000 -0.613 0.000 1.293 492 A HN 2.317 nan 8.150 nan 0.000 0.452 493 S N 1.037 116.707 115.700 -0.051 0.000 2.614 493 S HA 0.371 4.840 4.470 -0.001 0.000 0.265 493 S C -1.980 172.610 174.600 -0.016 0.000 1.303 493 S CA -0.641 57.550 58.200 -0.014 0.000 1.000 493 S CB 0.512 63.724 63.200 0.021 0.000 0.935 493 S HN 0.382 nan 8.310 nan 0.000 0.551 494 P HA -0.161 nan 4.420 nan 0.000 0.215 494 P C 1.595 178.900 177.300 0.008 0.000 1.153 494 P CA 1.378 64.476 63.100 -0.004 0.000 0.853 494 P CB -0.049 31.651 31.700 0.001 0.000 0.788 495 E N 0.409 120.619 120.200 0.016 0.000 2.208 495 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 495 E C 1.555 178.176 176.600 0.035 0.000 0.988 495 E CA 1.194 57.609 56.400 0.024 0.000 0.828 495 E CB -0.876 28.839 29.700 0.025 0.000 0.763 495 E HN 0.384 nan 8.360 nan 0.000 0.478 496 E N 0.744 120.969 120.200 0.042 0.000 2.107 496 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 496 E C 2.184 178.815 176.600 0.051 0.000 0.982 496 E CA 0.805 57.246 56.400 0.068 0.000 0.809 496 E CB -0.172 29.600 29.700 0.119 0.000 0.756 496 E HN 0.138 nan 8.360 nan 0.000 0.459 497 L N 1.558 122.791 121.223 0.018 0.000 2.017 497 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 497 L C 2.127 179.015 176.870 0.030 0.000 1.073 497 L CA 1.760 56.606 54.840 0.010 0.000 0.745 497 L CB -0.196 41.855 42.059 -0.013 0.000 0.894 497 L HN -0.089 nan 8.230 nan 0.000 0.432 498 R N -0.380 120.137 120.500 0.029 0.000 2.096 498 R HA -0.096 4.244 4.340 -0.001 0.000 0.235 498 R C 2.225 178.552 176.300 0.045 0.000 1.127 498 R CA 1.221 57.343 56.100 0.035 0.000 0.968 498 R CB -0.653 29.665 30.300 0.030 0.000 0.861 498 R HN 0.571 nan 8.270 nan 0.000 0.440 499 A N 1.062 123.910 122.820 0.048 0.000 1.930 499 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 499 A C 2.141 179.764 177.584 0.065 0.000 1.175 499 A CA 1.049 53.116 52.037 0.051 0.000 0.627 499 A CB -0.349 18.680 19.000 0.048 0.000 0.815 499 A HN 0.169 nan 8.150 nan 0.000 0.443 500 L N -0.951 120.316 121.223 0.075 0.000 2.131 500 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 500 L C 2.526 179.455 176.870 0.098 0.000 1.087 500 L CA 1.196 56.095 54.840 0.098 0.000 0.767 500 L CB -0.479 41.641 42.059 0.102 0.000 0.917 500 L HN 0.444 nan 8.230 nan 0.000 0.441 501 E N -0.126 120.119 120.200 0.074 0.000 2.110 501 E HA -0.279 4.070 4.350 -0.001 0.000 0.193 501 E C 1.977 178.626 176.600 0.082 0.000 0.988 501 E CA 1.328 57.770 56.400 0.070 0.000 0.804 501 E CB 0.062 29.794 29.700 0.053 0.000 0.745 501 E HN 0.311 nan 8.360 nan 0.000 0.458 502 E N 1.189 121.437 120.200 0.081 0.000 2.112 502 E HA -0.124 4.225 4.350 -0.001 0.000 0.190 502 E C 1.945 178.617 176.600 0.119 0.000 0.979 502 E CA 0.989 57.441 56.400 0.088 0.000 0.814 502 E CB 0.004 29.745 29.700 0.068 0.000 0.762 502 E HN 0.042 nan 8.360 nan 0.000 0.460 503 R N -0.012 120.561 120.500 0.121 0.000 2.066 503 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 503 R C -0.288 176.208 176.300 0.327 0.000 1.131 503 R CA 1.489 57.679 56.100 0.150 0.000 0.955 503 R CB 0.085 30.435 30.300 0.084 0.000 0.851 503 R HN 0.089 nan 8.270 nan 0.000 0.432 504 D N 1.154 121.715 120.400 0.269 0.000 2.458 504 D HA 0.043 4.682 4.640 -0.001 0.000 0.258 504 D C -0.534 175.780 176.300 0.023 0.000 1.134 504 D CA -0.219 53.879 54.000 0.163 0.000 0.915 504 D CB 1.043 41.931 40.800 0.147 0.000 1.028 504 D HN 0.337 nan 8.370 nan 0.000 0.508 505 N N 0.367 119.104 118.700 0.061 0.000 2.238 505 N HA 0.073 4.813 4.740 -0.001 0.000 0.222 505 N C -2.308 173.160 175.510 -0.070 0.000 1.133 505 N CA -0.802 52.266 53.050 0.030 0.000 0.854 505 N CB -0.054 38.493 38.487 0.100 0.000 1.041 505 N HN 0.153 nan 8.380 nan 0.000 0.510 506 P HA 0.186 nan 4.420 nan 0.000 0.274 506 P C -0.443 176.598 177.300 -0.431 0.000 1.231 506 P CA -0.201 62.577 63.100 -0.536 0.000 0.790 506 P CB 0.295 31.410 31.700 -0.974 0.000 0.951 507 F N -0.998 118.962 119.950 0.016 0.000 2.659 507 F HA -0.125 4.401 4.527 -0.001 0.000 0.368 507 F C -1.065 174.736 175.800 0.002 0.000 1.083 507 F CA -0.591 57.406 58.000 -0.004 0.000 1.195 507 F CB -1.970 37.025 39.000 -0.009 0.000 1.616 507 F HN 0.325 nan 8.300 nan 0.000 0.801 508 P HA -0.184 nan 4.420 nan 0.000 0.221 508 P C 0.441 177.789 177.300 0.079 0.000 1.145 508 P CA 1.695 64.842 63.100 0.079 0.000 0.795 508 P CB 0.237 31.969 31.700 0.054 0.000 0.775 509 E N -0.597 119.655 120.200 0.088 0.000 2.736 509 E HA 0.375 4.724 4.350 -0.001 0.000 0.208 509 E C 0.087 176.722 176.600 0.058 0.000 0.996 509 E CA -0.591 55.844 56.400 0.058 0.000 1.104 509 E CB 0.297 30.015 29.700 0.029 0.000 1.111 509 E HN 0.127 nan 8.360 nan 0.000 0.455 510 A N 1.722 124.600 122.820 0.096 0.000 2.567 510 A HA -0.028 4.292 4.320 -0.001 0.000 0.240 510 A C 0.015 177.627 177.584 0.046 0.000 1.053 510 A CA 0.331 52.407 52.037 0.065 0.000 0.755 510 A CB 0.144 19.215 19.000 0.118 0.000 0.978 510 A HN 0.148 nan 8.150 nan 0.000 0.507 511 D N 2.994 123.406 120.400 0.020 0.000 2.460 511 D HA 0.446 5.085 4.640 -0.001 0.000 0.232 511 D C -1.929 174.429 176.300 0.097 0.000 1.079 511 D CA -2.015 52.009 54.000 0.040 0.000 0.864 511 D CB 1.315 42.118 40.800 0.005 0.000 1.048 511 D HN 0.123 nan 8.370 nan 0.000 0.523 512 P HA -0.077 nan 4.420 nan 0.000 0.221 512 P C 1.107 178.558 177.300 0.253 0.000 1.145 512 P CA 0.795 64.035 63.100 0.233 0.000 0.795 512 P CB 0.276 32.050 31.700 0.124 0.000 0.775 513 R N -0.626 119.964 120.500 0.150 0.000 2.159 513 R HA -0.069 4.270 4.340 -0.001 0.000 0.237 513 R C 2.101 178.488 176.300 0.145 0.000 1.131 513 R CA 0.899 57.080 56.100 0.135 0.000 0.982 513 R CB -0.958 29.399 30.300 0.096 0.000 0.868 513 R HN 0.280 nan 8.270 nan 0.000 0.453 514 L N -0.417 120.864 121.223 0.096 0.000 2.263 514 L HA -0.207 4.132 4.340 -0.001 0.000 0.216 514 L C 1.291 178.144 176.870 -0.029 0.000 1.111 514 L CA 1.232 56.086 54.840 0.024 0.000 0.773 514 L CB -0.363 41.574 42.059 -0.204 0.000 0.906 514 L HN 0.235 nan 8.230 nan 0.000 0.439 515 Y N -0.409 119.956 120.300 0.109 0.000 2.502 515 Y HA 0.160 4.709 4.550 -0.001 0.000 0.295 515 Y C 0.911 176.867 175.900 0.093 0.000 1.193 515 Y CA -0.019 58.136 58.100 0.092 0.000 1.295 515 Y CB -0.126 38.365 38.460 0.052 0.000 1.059 515 Y HN 0.075 nan 8.280 nan 0.000 0.514 516 L N -1.582 119.757 121.223 0.194 0.000 2.267 516 L HA 0.560 4.900 4.340 -0.001 0.000 0.264 516 L C -0.656 176.333 176.870 0.198 0.000 1.021 516 L CA -0.936 54.008 54.840 0.174 0.000 0.861 516 L CB 2.319 44.467 42.059 0.147 0.000 1.443 516 L HN -0.023 nan 8.230 nan 0.000 0.475 517 F N 0.000 119.932 119.950 -0.029 0.000 2.286 517 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 517 F CA 0.000 57.944 58.000 -0.094 0.000 1.383 517 F CB 0.000 38.903 39.000 -0.163 0.000 1.145 517 F HN 0.000 nan 8.300 nan 0.000 0.574