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 1w8x_1_G DATA FIRST_RESID 14 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR TELVN 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.585 177.584 0.002 0.000 1.274 14 A CA 0.000 52.038 52.037 0.002 0.000 0.836 14 A CB 0.000 19.001 19.000 0.001 0.000 0.831 15 L N 1.839 123.062 121.223 0.001 0.000 2.385 15 L HA 0.399 4.739 4.340 0.000 0.000 0.281 15 L C 1.675 178.544 176.870 -0.001 0.000 1.106 15 L CA 0.435 55.276 54.840 0.001 0.000 0.856 15 L CB -0.059 41.999 42.059 -0.001 0.000 1.186 15 L HN 0.821 nan 8.230 nan 0.000 0.453 16 R N 1.513 122.013 120.500 0.000 0.000 2.093 16 R HA -0.048 4.292 4.340 0.000 0.000 0.224 16 R C 1.382 177.680 176.300 -0.004 0.000 1.101 16 R CA 0.704 56.804 56.100 -0.001 0.000 0.979 16 R CB -0.006 30.295 30.300 0.001 0.000 0.877 16 R HN 0.620 nan 8.270 nan 0.000 0.441 17 N N 1.310 120.007 118.700 -0.005 0.000 2.149 17 N HA -0.187 4.553 4.740 0.000 0.000 0.188 17 N C 1.671 177.173 175.510 -0.013 0.000 1.019 17 N CA 1.344 54.388 53.050 -0.010 0.000 0.857 17 N CB -0.201 38.280 38.487 -0.010 0.000 0.997 17 N HN 0.349 nan 8.380 nan 0.000 0.426 18 Q N 0.441 120.234 119.800 -0.010 0.000 2.084 18 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 18 Q C 1.953 177.947 176.000 -0.011 0.000 0.978 18 Q CA 1.167 56.963 55.803 -0.011 0.000 0.844 18 Q CB -0.175 28.558 28.738 -0.008 0.000 0.898 18 Q HN 0.553 nan 8.270 nan 0.000 0.426 19 Q N 0.141 119.936 119.800 -0.008 0.000 2.079 19 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 19 Q C 2.172 178.166 176.000 -0.010 0.000 0.974 19 Q CA 1.168 56.967 55.803 -0.007 0.000 0.840 19 Q CB -0.194 28.542 28.738 -0.004 0.000 0.898 19 Q HN 0.368 nan 8.270 nan 0.000 0.430 20 A N 1.023 123.836 122.820 -0.011 0.000 1.902 20 A HA -0.190 4.130 4.320 0.000 0.000 0.217 20 A C 2.086 179.658 177.584 -0.021 0.000 1.181 20 A CA 1.421 53.449 52.037 -0.015 0.000 0.623 20 A CB -0.526 18.465 19.000 -0.015 0.000 0.818 20 A HN 0.286 nan 8.150 nan 0.000 0.443 21 M N -0.648 118.937 119.600 -0.025 0.000 2.213 21 M HA -0.151 4.329 4.480 0.000 0.000 0.263 21 M C 2.150 178.434 176.300 -0.027 0.000 1.062 21 M CA 1.471 56.752 55.300 -0.032 0.000 1.105 21 M CB -0.240 32.340 32.600 -0.033 0.000 1.385 21 M HN 0.468 nan 8.290 nan 0.000 0.417 22 A N -0.337 122.471 122.820 -0.019 0.000 2.275 22 A HA 0.400 4.720 4.320 0.000 0.000 0.212 22 A C 2.090 179.667 177.584 -0.012 0.000 1.201 22 A CA 0.773 52.801 52.037 -0.015 0.000 0.843 22 A CB -0.498 18.495 19.000 -0.011 0.000 0.873 22 A HN 0.411 nan 8.150 nan 0.000 0.492 23 A N 1.665 124.478 122.820 -0.012 0.000 1.836 23 A HA -0.286 4.034 4.320 0.000 0.000 0.215 23 A C 1.936 179.515 177.584 -0.008 0.000 1.214 23 A CA 2.171 54.204 52.037 -0.007 0.000 0.636 23 A CB -1.093 17.902 19.000 -0.007 0.000 0.847 23 A HN 0.617 nan 8.150 nan 0.000 0.451 24 N N -0.546 118.144 118.700 -0.017 0.000 2.073 24 N HA -0.239 4.501 4.740 0.000 0.000 0.199 24 N C 1.524 177.019 175.510 -0.025 0.000 1.023 24 N CA 2.209 55.245 53.050 -0.023 0.000 0.880 24 N CB -0.420 38.044 38.487 -0.037 0.000 1.052 24 N HN 0.358 nan 8.380 nan 0.000 0.449 25 L N 0.980 122.187 121.223 -0.027 0.000 2.079 25 L HA -0.142 4.198 4.340 0.000 0.000 0.210 25 L C 2.371 179.230 176.870 -0.018 0.000 1.081 25 L CA 1.841 56.666 54.840 -0.026 0.000 0.752 25 L CB -1.164 40.880 42.059 -0.026 0.000 0.896 25 L HN 0.451 nan 8.230 nan 0.000 0.433 26 Q N -0.918 118.874 119.800 -0.013 0.000 2.079 26 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 26 Q C 2.118 178.115 176.000 -0.006 0.000 0.974 26 Q CA 1.710 57.509 55.803 -0.008 0.000 0.840 26 Q CB -0.180 28.556 28.738 -0.004 0.000 0.898 26 Q HN 0.625 nan 8.270 nan 0.000 0.430 27 A N 1.349 124.166 122.820 -0.005 0.000 1.933 27 A HA -0.209 4.111 4.320 0.000 0.000 0.218 27 A C 2.134 179.714 177.584 -0.007 0.000 1.175 27 A CA 1.463 53.499 52.037 -0.001 0.000 0.628 27 A CB -0.680 18.322 19.000 0.002 0.000 0.814 27 A HN 0.435 nan 8.150 nan 0.000 0.444 28 R N -0.275 120.217 120.500 -0.014 0.000 2.073 28 R HA -0.187 4.153 4.340 0.000 0.000 0.234 28 R C 2.287 178.577 176.300 -0.017 0.000 1.134 28 R CA 1.877 57.966 56.100 -0.018 0.000 0.952 28 R CB -0.358 29.928 30.300 -0.024 0.000 0.850 28 R HN 0.696 nan 8.270 nan 0.000 0.433 29 Q N 0.106 119.897 119.800 -0.014 0.000 2.124 29 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 29 Q C 2.276 178.270 176.000 -0.010 0.000 0.977 29 Q CA 1.538 57.333 55.803 -0.013 0.000 0.850 29 Q CB -0.097 28.634 28.738 -0.012 0.000 0.901 29 Q HN 0.475 nan 8.270 nan 0.000 0.429 30 I N 0.175 120.741 120.570 -0.005 0.000 2.252 30 I HA -0.232 3.938 4.170 0.000 0.000 0.245 30 I C 2.309 178.425 176.117 -0.002 0.000 1.102 30 I CA 0.748 62.048 61.300 0.000 0.000 1.385 30 I CB -0.269 37.735 38.000 0.007 0.000 1.064 30 I HN 0.008 nan 8.210 nan 0.000 0.414 31 V N 1.202 121.111 119.914 -0.008 0.000 2.295 31 V HA -0.275 3.845 4.120 0.000 0.000 0.246 31 V C 2.406 178.487 176.094 -0.021 0.000 1.049 31 V CA 1.759 64.049 62.300 -0.016 0.000 1.024 31 V CB -0.436 31.372 31.823 -0.024 0.000 0.648 31 V HN 0.361 nan 8.190 nan 0.000 0.447 32 L N -0.371 120.837 121.223 -0.025 0.000 2.083 32 L HA -0.238 4.102 4.340 0.000 0.000 0.209 32 L C 2.622 179.472 176.870 -0.033 0.000 1.083 32 L CA 1.985 56.803 54.840 -0.037 0.000 0.752 32 L CB -0.562 41.475 42.059 -0.036 0.000 0.899 32 L HN 0.439 nan 8.230 nan 0.000 0.433 33 Q N -0.603 119.185 119.800 -0.018 0.000 2.083 33 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 33 Q C 2.166 178.168 176.000 0.005 0.000 0.969 33 Q CA 1.135 56.932 55.803 -0.009 0.000 0.838 33 Q CB 0.213 28.949 28.738 -0.004 0.000 0.900 33 Q HN 0.457 nan 8.270 nan 0.000 0.436 34 Q N 0.288 120.094 119.800 0.010 0.000 2.250 34 Q HA 0.051 4.391 4.340 0.000 0.000 0.200 34 Q C 1.308 177.333 176.000 0.042 0.000 0.941 34 Q CA 0.767 56.586 55.803 0.027 0.000 0.872 34 Q CB 0.415 29.168 28.738 0.025 0.000 0.965 34 Q HN 0.353 nan 8.270 nan 0.000 0.480 35 S N -0.619 115.096 115.700 0.025 0.000 2.641 35 S HA 0.325 4.795 4.470 0.000 0.000 0.261 35 S C -0.567 174.075 174.600 0.071 0.000 1.257 35 S CA -0.612 57.614 58.200 0.045 0.000 0.983 35 S CB 0.733 63.936 63.200 0.006 0.000 0.990 35 S HN 0.209 nan 8.310 nan 0.000 0.572 36 Y N 0.627 120.907 120.300 -0.034 0.000 2.406 36 Y HA 0.524 5.074 4.550 0.000 0.000 0.340 36 Y C -2.880 172.964 175.900 -0.093 0.000 0.975 36 Y CA -2.248 55.821 58.100 -0.051 0.000 1.056 36 Y CB 1.967 40.402 38.460 -0.041 0.000 1.210 36 Y HN 0.513 nan 8.280 nan 0.000 0.448 37 P HA 0.251 nan 4.420 nan 0.000 0.276 37 P C -1.399 175.745 177.300 -0.260 0.000 1.230 37 P CA 0.021 62.904 63.100 -0.362 0.000 0.776 37 P CB 1.063 32.523 31.700 -0.400 0.000 0.888 38 V N 4.716 124.416 119.914 -0.357 0.000 2.760 38 V HA 0.466 4.586 4.120 0.000 0.000 0.309 38 V C -0.278 175.626 176.094 -0.316 0.000 1.077 38 V CA -0.633 61.449 62.300 -0.363 0.000 0.910 38 V CB 2.346 33.755 31.823 -0.690 0.000 1.008 38 V HN 0.472 nan 8.190 nan 0.000 0.424 39 I N 3.698 124.221 120.570 -0.079 0.000 2.418 39 I HA 0.627 4.797 4.170 0.000 0.000 0.287 39 I C -0.745 175.490 176.117 0.196 0.000 1.008 39 I CA -0.094 61.251 61.300 0.075 0.000 1.104 39 I CB 1.520 39.556 38.000 0.061 0.000 1.264 39 I HN 0.843 nan 8.210 nan 0.000 0.438 40 Q N 6.677 126.681 119.800 0.340 0.000 2.331 40 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 40 Q C -1.443 174.782 176.000 0.375 0.000 1.062 40 Q CA -0.755 55.269 55.803 0.369 0.000 0.806 40 Q CB 2.245 31.200 28.738 0.361 0.000 1.312 40 Q HN 0.729 nan 8.270 nan 0.000 0.431 41 Q N 2.046 122.000 119.800 0.256 0.000 2.311 41 Q HA 0.166 4.506 4.340 0.000 0.000 0.272 41 Q C 0.204 176.215 176.000 0.019 0.000 1.012 41 Q CA 0.176 55.923 55.803 -0.092 0.000 0.891 41 Q CB 0.976 29.584 28.738 -0.218 0.000 1.201 41 Q HN 0.643 nan 8.270 nan 0.000 0.391 42 V N 0.089 120.009 119.914 0.011 0.000 3.572 42 V HA 0.430 4.550 4.120 0.000 0.000 0.260 42 V C 0.072 176.180 176.094 0.023 0.000 1.324 42 V CA 0.422 62.758 62.300 0.060 0.000 1.068 42 V CB 0.400 32.300 31.823 0.128 0.000 0.837 42 V HN 0.834 nan 8.190 nan 0.000 0.450 43 E N -0.620 119.572 120.200 -0.014 0.000 2.400 43 E HA 0.520 4.870 4.350 0.000 0.000 0.285 43 E C -1.581 174.963 176.600 -0.094 0.000 1.005 43 E CA -0.294 56.095 56.400 -0.018 0.000 0.816 43 E CB 2.192 31.935 29.700 0.071 0.000 1.220 43 E HN 0.269 nan 8.360 nan 0.000 0.426 44 T N 2.560 116.996 114.554 -0.197 0.000 2.909 44 T HA 0.558 4.908 4.350 0.000 0.000 0.299 44 T C -1.394 173.004 174.700 -0.503 0.000 1.073 44 T CA -0.641 61.249 62.100 -0.350 0.000 0.999 44 T CB 1.779 70.514 68.868 -0.223 0.000 1.098 44 T HN 0.475 nan 8.240 nan 0.000 0.477 45 Q N 0.795 120.112 119.800 -0.805 0.000 2.438 45 Q HA 0.556 4.896 4.340 0.000 0.000 0.272 45 Q C -1.824 173.881 176.000 -0.493 0.000 0.994 45 Q CA -0.582 54.825 55.803 -0.660 0.000 0.887 45 Q CB 1.930 30.169 28.738 -0.831 0.000 1.432 45 Q HN 0.656 nan 8.270 nan 0.000 0.392 46 T N 3.632 118.056 114.554 -0.217 0.000 2.841 46 T HA 0.814 5.164 4.350 0.000 0.000 0.283 46 T C -1.159 173.560 174.700 0.031 0.000 1.000 46 T CA -0.400 61.612 62.100 -0.147 0.000 0.977 46 T CB 0.468 69.253 68.868 -0.138 0.000 0.979 46 T HN 0.476 nan 8.240 nan 0.000 0.446 47 F N -0.493 119.362 119.950 -0.158 0.000 2.779 47 F HA 0.740 5.267 4.527 0.000 0.000 0.316 47 F C -1.730 174.053 175.800 -0.028 0.000 1.164 47 F CA -1.262 56.710 58.000 -0.046 0.000 0.924 47 F CB 1.242 40.281 39.000 0.065 0.000 1.348 47 F HN 0.330 nan 8.300 nan 0.000 0.467 48 D N 1.381 121.863 120.400 0.136 0.000 2.381 48 D HA 0.426 5.066 4.640 0.000 0.000 0.235 48 D C -2.170 174.267 176.300 0.229 0.000 1.068 48 D CA -2.406 51.626 54.000 0.053 0.000 0.832 48 D CB 2.288 43.141 40.800 0.088 0.000 1.101 48 D HN 0.205 nan 8.370 nan 0.000 0.515 49 P HA -0.116 nan 4.420 nan 0.000 0.220 49 P C 0.901 178.328 177.300 0.211 0.000 1.144 49 P CA 0.994 64.233 63.100 0.231 0.000 0.800 49 P CB 0.313 32.022 31.700 0.014 0.000 0.772 50 A N -0.738 122.192 122.820 0.183 0.000 2.015 50 A HA -0.172 4.148 4.320 0.000 0.000 0.219 50 A C 2.056 179.713 177.584 0.122 0.000 1.163 50 A CA 1.575 53.702 52.037 0.150 0.000 0.646 50 A CB -0.821 18.257 19.000 0.129 0.000 0.806 50 A HN 0.162 nan 8.150 nan 0.000 0.448 51 N N -1.411 117.372 118.700 0.137 0.000 2.387 51 N HA 0.103 4.843 4.740 0.000 0.000 0.176 51 N C 0.747 176.297 175.510 0.067 0.000 1.022 51 N CA 0.575 53.685 53.050 0.100 0.000 0.883 51 N CB 0.206 38.759 38.487 0.110 0.000 1.019 51 N HN 0.558 nan 8.380 nan 0.000 0.435 52 R N -0.741 119.823 120.500 0.107 0.000 2.664 52 R HA 0.262 4.602 4.340 0.000 0.000 0.266 52 R C -0.927 175.372 176.300 -0.001 0.000 1.046 52 R CA -0.070 56.000 56.100 -0.049 0.000 0.885 52 R CB 0.730 30.889 30.300 -0.234 0.000 1.254 52 R HN 0.059 nan 8.270 nan 0.000 0.465 53 S N 0.105 115.725 115.700 -0.134 0.000 2.800 53 S HA 0.214 4.684 4.470 0.000 0.000 0.266 53 S C -0.678 173.937 174.600 0.024 0.000 1.029 53 S CA -0.319 57.933 58.200 0.085 0.000 1.302 53 S CB 0.858 64.184 63.200 0.211 0.000 1.212 53 S HN 0.146 nan 8.310 nan 0.000 0.683 54 V N 2.880 122.576 119.914 -0.363 0.000 2.448 54 V HA 0.679 4.799 4.120 0.000 0.000 0.295 54 V C -1.346 174.361 176.094 -0.645 0.000 1.025 54 V CA -0.423 61.698 62.300 -0.297 0.000 0.859 54 V CB 1.004 32.693 31.823 -0.223 0.000 0.988 54 V HN 0.426 nan 8.190 nan 0.000 0.431 55 F N 2.140 122.018 119.950 -0.121 0.000 2.576 55 F HA 0.508 5.035 4.527 0.000 0.000 0.313 55 F C -0.074 175.645 175.800 -0.135 0.000 1.078 55 F CA -0.849 57.080 58.000 -0.117 0.000 0.921 55 F CB 1.964 40.909 39.000 -0.091 0.000 1.232 55 F HN 0.382 nan 8.300 nan 0.000 0.459 56 D N 2.597 123.033 120.400 0.059 0.000 2.441 56 D HA 0.361 5.001 4.640 0.000 0.000 0.231 56 D C -1.175 175.131 176.300 0.010 0.000 1.073 56 D CA -0.085 53.906 54.000 -0.016 0.000 0.850 56 D CB 1.645 42.411 40.800 -0.056 0.000 1.062 56 D HN 0.220 nan 8.370 nan 0.000 0.524 57 V N 3.364 123.257 119.914 -0.034 0.000 2.546 57 V HA 0.276 4.396 4.120 0.000 0.000 0.284 57 V C 0.688 176.744 176.094 -0.063 0.000 1.050 57 V CA -0.225 62.059 62.300 -0.027 0.000 0.981 57 V CB 1.681 33.458 31.823 -0.077 0.000 0.990 57 V HN 0.530 nan 8.190 nan 0.000 0.474 58 T N 7.271 121.811 114.554 -0.023 0.000 2.801 58 T HA 0.385 4.735 4.350 0.000 0.000 0.306 58 T C -2.333 172.372 174.700 0.009 0.000 1.020 58 T CA -0.869 61.218 62.100 -0.022 0.000 0.948 58 T CB 1.202 70.065 68.868 -0.009 0.000 0.962 58 T HN 0.474 nan 8.240 nan 0.000 0.465 59 P HA 0.387 nan 4.420 nan 0.000 0.273 59 P C -0.712 176.646 177.300 0.098 0.000 1.250 59 P CA -0.562 62.623 63.100 0.142 0.000 0.793 59 P CB 0.473 32.360 31.700 0.311 0.000 1.011 60 A N 1.175 124.045 122.820 0.084 0.000 2.327 60 A HA 0.230 4.550 4.320 0.000 0.000 0.283 60 A C 0.011 177.571 177.584 -0.040 0.000 1.127 60 A CA -0.475 51.560 52.037 -0.004 0.000 0.810 60 A CB -0.376 18.588 19.000 -0.059 0.000 1.066 60 A HN 0.573 nan 8.150 nan 0.000 0.492 61 N N 0.915 119.592 118.700 -0.037 0.000 2.868 61 N HA 0.362 5.102 4.740 0.000 0.000 0.252 61 N C -1.166 174.296 175.510 -0.079 0.000 1.130 61 N CA -0.030 53.001 53.050 -0.032 0.000 1.026 61 N CB 0.940 39.427 38.487 0.001 0.000 1.335 61 N HN 0.391 nan 8.380 nan 0.000 0.516 62 V N 1.562 121.371 119.914 -0.175 0.000 2.733 62 V HA 0.676 4.796 4.120 0.000 0.000 0.306 62 V C 0.638 176.627 176.094 -0.174 0.000 1.084 62 V CA 0.174 62.348 62.300 -0.210 0.000 0.905 62 V CB 0.942 32.539 31.823 -0.378 0.000 1.010 62 V HN 0.759 nan 8.190 nan 0.000 0.424 63 G N 6.259 115.040 108.800 -0.032 0.000 2.594 63 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 63 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 63 G C -0.095 174.812 174.900 0.012 0.000 1.273 63 G CA 0.545 45.656 45.100 0.018 0.000 0.974 63 G HN 1.248 nan 8.290 nan 0.000 0.552 64 I N 0.765 121.364 120.570 0.047 0.000 2.312 64 I HA 0.373 4.543 4.170 0.000 0.000 0.290 64 I C 0.390 176.547 176.117 0.067 0.000 1.008 64 I CA -0.720 60.599 61.300 0.032 0.000 1.226 64 I CB 1.568 39.572 38.000 0.007 0.000 1.371 64 I HN 0.320 nan 8.210 nan 0.000 0.468 65 V N 7.708 127.632 119.914 0.018 0.000 2.461 65 V HA 0.182 4.302 4.120 0.000 0.000 0.275 65 V C 0.925 176.958 176.094 -0.101 0.000 1.047 65 V CA -0.281 61.993 62.300 -0.044 0.000 0.955 65 V CB 1.115 32.866 31.823 -0.120 0.000 0.988 65 V HN 0.753 nan 8.190 nan 0.000 0.471 66 K N 2.930 123.272 120.400 -0.097 0.000 2.276 66 K HA 0.458 4.778 4.320 0.000 0.000 0.198 66 K C 0.809 177.318 176.600 -0.152 0.000 1.052 66 K CA 0.724 56.993 56.287 -0.030 0.000 0.984 66 K CB 0.760 33.327 32.500 0.112 0.000 0.836 66 K HN 0.899 nan 8.250 nan 0.000 0.490 67 G N 0.217 108.710 108.800 -0.512 0.000 2.320 67 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 67 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 67 G C -1.974 172.059 174.900 -1.444 0.000 1.306 67 G CA -0.995 43.439 45.100 -1.110 0.000 0.836 67 G HN -0.001 nan 8.290 nan 0.000 0.517 68 F N -0.454 118.895 119.950 -1.002 0.000 2.547 68 F HA 0.641 5.168 4.527 0.000 0.000 0.316 68 F C -0.225 175.438 175.800 -0.229 0.000 1.121 68 F CA -0.805 56.953 58.000 -0.404 0.000 0.911 68 F CB 2.396 41.260 39.000 -0.228 0.000 1.179 68 F HN 0.413 nan 8.300 nan 0.000 0.443 69 L N 4.626 126.104 121.223 0.425 0.000 2.265 69 L HA 0.696 5.036 4.340 0.000 0.000 0.289 69 L C -1.031 176.177 176.870 0.564 0.000 1.033 69 L CA -0.477 54.752 54.840 0.648 0.000 0.814 69 L CB 1.069 43.561 42.059 0.721 0.000 1.203 69 L HN 0.400 nan 8.230 nan 0.000 0.423 70 V N 5.647 125.857 119.914 0.494 0.000 2.347 70 V HA 0.400 4.520 4.120 0.000 0.000 0.280 70 V C 0.041 176.331 176.094 0.325 0.000 1.021 70 V CA -0.789 61.741 62.300 0.384 0.000 0.847 70 V CB 1.185 33.166 31.823 0.263 0.000 0.990 70 V HN 0.713 nan 8.190 nan 0.000 0.444 71 K N 4.281 124.789 120.400 0.179 0.000 2.211 71 K HA 0.704 5.024 4.320 0.000 0.000 0.275 71 K C -1.390 175.208 176.600 -0.003 0.000 1.024 71 K CA -0.389 55.748 56.287 -0.251 0.000 0.887 71 K CB 1.598 33.959 32.500 -0.230 0.000 1.084 71 K HN 0.504 nan 8.250 nan 0.000 0.463 72 V N 3.529 123.426 119.914 -0.028 0.000 2.531 72 V HA 0.360 4.480 4.120 0.000 0.000 0.301 72 V C -0.376 175.749 176.094 0.052 0.000 1.034 72 V CA -0.833 61.552 62.300 0.141 0.000 0.865 72 V CB 1.668 33.701 31.823 0.351 0.000 0.995 72 V HN 1.000 nan 8.190 nan 0.000 0.424 73 T N 1.326 115.900 114.554 0.033 0.000 2.908 73 T HA 0.957 5.307 4.350 0.000 0.000 0.290 73 T C -0.489 174.227 174.700 0.028 0.000 1.034 73 T CA -0.539 61.579 62.100 0.030 0.000 1.010 73 T CB 2.271 71.144 68.868 0.008 0.000 1.068 73 T HN 1.354 nan 8.240 nan 0.000 0.481 74 A N 0.832 123.703 122.820 0.085 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.956 176.719 177.584 0.152 0.000 1.071 74 A CA -0.806 51.312 52.037 0.135 0.000 0.685 74 A CB 1.269 20.454 19.000 0.308 0.000 1.285 74 A HN 1.659 nan 8.150 nan 0.000 0.405 75 A N 1.353 124.266 122.820 0.155 0.000 2.318 75 A HA 0.766 5.086 4.320 0.000 0.000 0.317 75 A C -0.835 176.816 177.584 0.111 0.000 1.159 75 A CA -0.288 51.808 52.037 0.099 0.000 0.799 75 A CB 0.374 19.403 19.000 0.048 0.000 1.194 75 A HN 0.748 nan 8.150 nan 0.000 0.479 76 I N 2.094 122.675 120.570 0.018 0.000 2.406 76 I HA 0.340 4.510 4.170 0.000 0.000 0.290 76 I C -0.262 175.758 176.117 -0.161 0.000 0.999 76 I CA -0.229 61.007 61.300 -0.107 0.000 1.124 76 I CB 2.411 40.326 38.000 -0.142 0.000 1.289 76 I HN 0.560 nan 8.210 nan 0.000 0.441 77 T N 4.457 118.900 114.554 -0.186 0.000 2.771 77 T HA 0.214 4.564 4.350 0.000 0.000 0.281 77 T C -0.052 174.493 174.700 -0.260 0.000 0.982 77 T CA -0.536 61.457 62.100 -0.178 0.000 0.978 77 T CB 0.798 69.600 68.868 -0.110 0.000 0.930 77 T HN 0.383 nan 8.240 nan 0.000 0.447 78 N N 2.956 121.517 118.700 -0.233 0.000 2.521 78 N HA 0.073 4.813 4.740 0.000 0.000 0.236 78 N C 0.654 176.085 175.510 -0.132 0.000 1.067 78 N CA -0.245 52.669 53.050 -0.228 0.000 0.939 78 N CB 0.189 38.554 38.487 -0.204 0.000 1.201 78 N HN 0.665 nan 8.380 nan 0.000 0.511 79 N N 2.273 120.898 118.700 -0.125 0.000 2.383 79 N HA -0.109 4.631 4.740 0.000 0.000 0.192 79 N C -0.191 175.287 175.510 -0.054 0.000 1.141 79 N CA -0.204 52.797 53.050 -0.083 0.000 0.851 79 N CB 0.105 38.539 38.487 -0.088 0.000 0.976 79 N HN 0.566 nan 8.380 nan 0.000 0.465 80 H N -0.309 118.694 119.070 -0.112 0.000 2.852 80 H HA 0.167 4.723 4.556 0.000 0.000 0.362 80 H C 1.243 176.532 175.328 -0.065 0.000 1.122 80 H CA 0.741 56.739 56.048 -0.084 0.000 1.419 80 H CB 1.343 31.054 29.762 -0.085 0.000 1.401 80 H HN 0.177 nan 8.280 nan 0.000 0.609 81 A N 2.402 125.016 122.820 -0.343 0.000 1.898 81 A HA -0.112 4.208 4.320 0.000 0.000 0.216 81 A C 1.883 179.496 177.584 0.048 0.000 1.181 81 A CA 2.082 54.038 52.037 -0.135 0.000 0.620 81 A CB -0.469 18.409 19.000 -0.204 0.000 0.819 81 A HN 0.870 nan 8.150 nan 0.000 0.442 82 T N -4.814 109.903 114.554 0.273 0.000 3.046 82 T HA 0.207 4.557 4.350 0.000 0.000 0.270 82 T C -0.076 174.702 174.700 0.130 0.000 0.920 82 T CA -0.296 61.911 62.100 0.178 0.000 0.874 82 T CB 0.206 69.141 68.868 0.111 0.000 1.214 82 T HN 0.177 nan 8.240 nan 0.000 0.536 83 E N 1.601 121.864 120.200 0.106 0.000 2.204 83 E HA 0.755 5.105 4.350 0.000 0.000 0.276 83 E C -0.251 176.237 176.600 -0.187 0.000 0.974 83 E CA -0.450 55.819 56.400 -0.218 0.000 0.815 83 E CB 2.016 31.364 29.700 -0.588 0.000 1.119 83 E HN 0.515 nan 8.360 nan 0.000 0.393 84 A N 1.916 124.662 122.820 -0.123 0.000 2.247 84 A HA 0.727 5.047 4.320 0.000 0.000 0.313 84 A C -0.111 177.418 177.584 -0.091 0.000 1.109 84 A CA -0.542 51.438 52.037 -0.094 0.000 0.890 84 A CB 0.783 19.752 19.000 -0.052 0.000 1.239 84 A HN 0.399 nan 8.150 nan 0.000 0.506 85 V N -4.081 115.798 119.914 -0.059 0.000 3.078 85 V HA 0.950 5.070 4.120 0.000 0.000 0.311 85 V C -0.244 175.934 176.094 0.139 0.000 1.138 85 V CA -0.330 61.984 62.300 0.025 0.000 1.007 85 V CB 1.126 32.965 31.823 0.028 0.000 1.045 85 V HN 1.911 nan 8.190 nan 0.000 0.432 86 A N 2.436 125.395 122.820 0.232 0.000 2.454 86 A HA 0.852 5.172 4.320 0.000 0.000 0.302 86 A C -0.562 177.154 177.584 0.219 0.000 1.079 86 A CA -0.994 51.197 52.037 0.257 0.000 0.731 86 A CB 1.466 20.531 19.000 0.108 0.000 1.299 86 A HN 1.105 nan 8.150 nan 0.000 0.413 87 L N 1.884 123.124 121.223 0.030 0.000 2.543 87 L HA 0.124 4.464 4.340 0.000 0.000 0.285 87 L C 1.489 178.259 176.870 -0.166 0.000 1.236 87 L CA 0.159 54.809 54.840 -0.318 0.000 0.871 87 L CB 0.375 42.282 42.059 -0.254 0.000 1.121 87 L HN 0.997 nan 8.230 nan 0.000 0.501 88 T N -1.878 112.549 114.554 -0.212 0.000 2.770 88 T HA 0.084 4.434 4.350 0.000 0.000 0.281 88 T C 0.757 175.370 174.700 -0.146 0.000 0.981 88 T CA -0.787 61.206 62.100 -0.179 0.000 0.955 88 T CB 0.787 69.514 68.868 -0.235 0.000 1.060 88 T HN 0.504 nan 8.240 nan 0.000 0.531 89 D N -0.224 120.063 120.400 -0.189 0.000 2.178 89 D HA -0.016 4.624 4.640 0.000 0.000 0.201 89 D C 1.526 177.969 176.300 0.238 0.000 0.980 89 D CA 1.062 55.043 54.000 -0.032 0.000 0.842 89 D CB -0.226 40.507 40.800 -0.111 0.000 0.948 89 D HN 0.472 nan 8.370 nan 0.000 0.472 90 F N 0.187 120.063 119.950 -0.123 0.000 2.473 90 F HA 0.245 4.772 4.527 0.000 0.000 0.294 90 F C 2.186 177.932 175.800 -0.090 0.000 1.103 90 F CA 0.413 58.376 58.000 -0.061 0.000 1.442 90 F CB -0.949 37.983 39.000 -0.113 0.000 1.097 90 F HN -0.028 nan 8.300 nan 0.000 0.547 91 G N 2.682 111.499 108.800 0.029 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.118 173.754 174.900 -0.046 0.000 1.286 91 G CA 0.557 45.594 45.100 -0.105 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.038 nan 4.420 nan 0.000 0.228 92 P C 1.602 178.914 177.300 0.019 0.000 1.151 92 P CA 2.275 65.384 63.100 0.016 0.000 0.770 92 P CB -0.379 31.324 31.700 0.004 0.000 0.786 93 A N 0.057 122.849 122.820 -0.046 0.000 2.172 93 A HA -0.095 4.225 4.320 0.000 0.000 0.216 93 A C 1.839 179.558 177.584 0.225 0.000 1.154 93 A CA 0.996 53.001 52.037 -0.054 0.000 0.701 93 A CB -0.971 17.887 19.000 -0.235 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.382 118.449 118.700 0.218 0.000 2.268 94 N HA 0.184 4.924 4.740 0.000 0.000 0.204 94 N C 1.055 176.708 175.510 0.239 0.000 1.124 94 N CA 0.076 53.277 53.050 0.252 0.000 0.838 94 N CB 0.105 38.720 38.487 0.214 0.000 0.994 94 N HN 0.468 nan 8.380 nan 0.000 0.489 95 L N -0.254 121.144 121.223 0.292 0.000 2.201 95 L HA -0.005 4.335 4.340 0.000 0.000 0.212 95 L C 0.305 177.354 176.870 0.298 0.000 1.105 95 L CA 0.788 55.829 54.840 0.334 0.000 0.775 95 L CB 0.224 42.503 42.059 0.366 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.100 119.913 119.914 0.165 0.000 2.384 96 V HA 0.130 4.250 4.120 0.000 0.000 0.287 96 V C 0.532 176.533 176.094 -0.156 0.000 1.020 96 V CA -0.549 61.616 62.300 -0.224 0.000 0.850 96 V CB 1.710 33.084 31.823 -0.749 0.000 0.987 96 V HN 0.163 nan 8.190 nan 0.000 0.436 97 Q N 3.505 123.224 119.800 -0.135 0.000 2.123 97 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 97 Q C 0.468 176.376 176.000 -0.155 0.000 0.958 97 Q CA 1.017 56.783 55.803 -0.062 0.000 0.841 97 Q CB 0.465 29.200 28.738 -0.004 0.000 0.915 97 Q HN 0.627 nan 8.270 nan 0.000 0.455 98 R N -1.055 119.304 120.500 -0.236 0.000 2.710 98 R HA 0.632 4.972 4.340 0.000 0.000 0.270 98 R C -1.379 174.733 176.300 -0.313 0.000 1.021 98 R CA -0.519 55.432 56.100 -0.248 0.000 0.889 98 R CB 2.250 32.452 30.300 -0.164 0.000 1.243 98 R HN -0.187 nan 8.270 nan 0.000 0.464 99 V N 2.564 122.311 119.914 -0.279 0.000 2.841 99 V HA 0.620 4.740 4.120 0.000 0.000 0.310 99 V C -0.770 175.211 176.094 -0.188 0.000 1.090 99 V CA -0.678 61.458 62.300 -0.273 0.000 0.930 99 V CB 2.329 33.966 31.823 -0.309 0.000 1.014 99 V HN 0.565 nan 8.190 nan 0.000 0.425 100 I N 3.687 124.166 120.570 -0.152 0.000 2.607 100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 100 I C -1.742 174.325 176.117 -0.085 0.000 1.129 100 I CA -0.704 60.517 61.300 -0.132 0.000 1.042 100 I CB 2.374 40.307 38.000 -0.112 0.000 1.242 100 I HN 0.688 nan 8.210 nan 0.000 0.421 101 Y N 6.257 126.413 120.300 -0.241 0.000 2.376 101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 101 Y C -1.708 174.067 175.900 -0.208 0.000 0.965 101 Y CA -0.696 57.298 58.100 -0.178 0.000 1.078 101 Y CB 1.281 39.643 38.460 -0.162 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.656 124.448 120.300 -0.847 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.101 175.260 175.900 -0.898 0.000 0.975 102 Y CA -1.030 56.730 58.100 -0.567 0.000 1.089 102 Y CB 1.166 39.439 38.460 -0.311 0.000 1.192 102 Y HN 0.716 nan 8.280 nan 0.000 0.454 103 D N 2.690 122.942 120.400 -0.247 0.000 2.451 103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 103 D C -2.209 174.092 176.300 0.001 0.000 1.201 103 D CA -2.288 51.666 54.000 -0.077 0.000 1.028 103 D CB 0.387 41.330 40.800 0.238 0.000 1.095 103 D HN 0.169 nan 8.370 nan 0.000 0.539 104 P HA -0.061 nan 4.420 nan 0.000 0.221 104 P C -0.042 177.284 177.300 0.043 0.000 1.145 104 P CA 1.015 64.137 63.100 0.037 0.000 0.795 104 P CB 0.104 31.836 31.700 0.054 0.000 0.775 105 D N -1.681 118.763 120.400 0.074 0.000 2.358 105 D HA 0.035 4.675 4.640 0.000 0.000 0.224 105 D C 0.463 176.808 176.300 0.075 0.000 1.123 105 D CA 0.049 54.092 54.000 0.071 0.000 0.833 105 D CB -1.061 39.791 40.800 0.085 0.000 0.946 105 D HN 0.207 nan 8.370 nan 0.000 0.505 106 N N 0.637 119.383 118.700 0.076 0.000 2.800 106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 106 N C -0.164 175.461 175.510 0.191 0.000 1.078 106 N CA 0.188 53.301 53.050 0.106 0.000 0.804 106 N CB -0.425 38.092 38.487 0.049 0.000 1.135 106 N HN 0.157 nan 8.380 nan 0.000 0.565 107 Q N 1.618 121.522 119.800 0.173 0.000 2.256 107 Q HA 0.354 4.694 4.340 0.000 0.000 0.254 107 Q C -0.516 175.576 176.000 0.154 0.000 0.916 107 Q CA -0.244 55.645 55.803 0.145 0.000 0.932 107 Q CB 0.877 29.678 28.738 0.104 0.000 1.207 107 Q HN 0.182 nan 8.270 nan 0.000 0.426 108 R N 2.947 123.449 120.500 0.004 0.000 2.441 108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 108 R C 0.261 176.570 176.300 0.014 0.000 1.070 108 R CA -0.141 55.863 56.100 -0.160 0.000 1.047 108 R CB 0.689 30.776 30.300 -0.354 0.000 1.016 108 R HN 0.820 nan 8.270 nan 0.000 0.477 109 H N 0.193 119.226 119.070 -0.062 0.000 5.067 109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 109 H C 0.075 175.323 175.328 -0.133 0.000 1.355 109 H CA -0.365 55.662 56.048 -0.035 0.000 0.741 109 H CB 0.281 30.091 29.762 0.081 0.000 1.615 109 H HN 0.380 nan 8.280 nan 0.000 0.266 110 T N 1.535 116.094 114.554 0.009 0.000 2.916 110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 110 T C 0.110 174.746 174.700 -0.107 0.000 1.025 110 T CA 0.466 62.493 62.100 -0.122 0.000 1.142 110 T CB 0.318 69.076 68.868 -0.184 0.000 0.947 110 T HN 0.394 nan 8.240 nan 0.000 0.544 111 E N 2.210 122.351 120.200 -0.099 0.000 2.642 111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 111 E C -0.776 175.782 176.600 -0.070 0.000 1.039 111 E CA -0.474 55.869 56.400 -0.095 0.000 0.777 111 E CB 0.910 30.563 29.700 -0.079 0.000 1.473 111 E HN 0.589 nan 8.360 nan 0.000 0.388 112 T N 0.977 115.463 114.554 -0.113 0.000 2.671 112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 112 T C -0.912 173.655 174.700 -0.222 0.000 1.238 112 T CA -0.193 61.835 62.100 -0.120 0.000 1.020 112 T CB 1.048 69.914 68.868 -0.002 0.000 1.503 112 T HN 0.419 nan 8.240 nan 0.000 0.497 113 S N -0.051 115.444 115.700 -0.341 0.000 2.617 113 S HA 0.490 4.960 4.470 0.000 0.000 0.269 113 S C 1.618 175.955 174.600 -0.438 0.000 1.292 113 S CA 0.052 57.975 58.200 -0.462 0.000 1.010 113 S CB 0.862 63.546 63.200 -0.860 0.000 0.944 113 S HN 1.071 nan 8.310 nan 0.000 0.536 114 G N 1.068 109.668 108.800 -0.332 0.000 2.418 114 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 114 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 114 G C 1.321 176.211 174.900 -0.016 0.000 1.158 114 G CA 0.748 45.704 45.100 -0.240 0.000 0.771 114 G HN 0.959 nan 8.290 nan 0.000 0.545 115 W N 0.195 121.453 121.300 -0.071 0.000 2.388 115 W HA -0.024 4.636 4.660 0.000 0.000 0.294 115 W C 1.786 177.994 176.519 -0.518 0.000 1.212 115 W CA 0.838 57.955 57.345 -0.380 0.000 1.271 115 W CB -1.034 28.166 29.460 -0.434 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.265 119.975 119.070 -0.599 0.000 2.357 116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 116 H C 2.351 177.575 175.328 -0.175 0.000 1.082 116 H CA 1.781 57.609 56.048 -0.367 0.000 1.342 116 H CB -0.122 29.257 29.762 -0.638 0.000 1.389 116 H HN 0.118 nan 8.280 nan 0.000 0.511 117 L N 1.063 122.065 121.223 -0.368 0.000 2.042 117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 117 L C 2.587 179.360 176.870 -0.162 0.000 1.076 117 L CA 2.455 57.113 54.840 -0.303 0.000 0.749 117 L CB -1.110 40.840 42.059 -0.182 0.000 0.893 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 H N -1.045 117.951 119.070 -0.123 0.000 2.353 118 H HA -0.185 4.371 4.556 0.000 0.000 0.300 118 H C 1.929 177.238 175.328 -0.031 0.000 1.090 118 H CA 2.223 58.192 56.048 -0.130 0.000 1.327 118 H CB -0.584 29.073 29.762 -0.176 0.000 1.383 118 H HN 0.473 nan 8.280 nan 0.000 0.508 119 F N -0.732 119.104 119.950 -0.191 0.000 2.171 119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 119 F C 2.539 178.274 175.800 -0.109 0.000 1.090 119 F CA 0.562 58.501 58.000 -0.101 0.000 1.293 119 F CB -0.057 38.930 39.000 -0.022 0.000 1.013 119 F HN 0.086 nan 8.300 nan 0.000 0.486 120 V N 0.258 120.158 119.914 -0.023 0.000 2.427 120 V HA -0.287 3.833 4.120 0.000 0.000 0.248 120 V C 1.668 177.702 176.094 -0.100 0.000 1.051 120 V CA 1.957 64.227 62.300 -0.051 0.000 1.048 120 V CB -0.773 30.949 31.823 -0.168 0.000 0.666 120 V HN 0.377 nan 8.190 nan 0.000 0.456 121 N N -0.307 118.246 118.700 -0.245 0.000 2.104 121 N HA -0.190 4.550 4.740 0.000 0.000 0.190 121 N C 1.835 177.210 175.510 -0.225 0.000 1.024 121 N CA 1.828 54.613 53.050 -0.442 0.000 0.853 121 N CB -0.198 37.627 38.487 -1.103 0.000 1.008 121 N HN 0.419 nan 8.380 nan 0.000 0.424 122 T N 0.569 115.021 114.554 -0.170 0.000 2.737 122 T HA -0.088 4.262 4.350 0.000 0.000 0.265 122 T C 2.057 176.718 174.700 -0.066 0.000 1.038 122 T CA 1.187 63.256 62.100 -0.051 0.000 1.144 122 T CB -0.331 68.480 68.868 -0.095 0.000 0.866 122 T HN 0.331 nan 8.240 nan 0.000 0.434 123 A N 1.897 124.686 122.820 -0.052 0.000 1.908 123 A HA -0.153 4.167 4.320 0.000 0.000 0.218 123 A C 2.278 179.846 177.584 -0.026 0.000 1.181 123 A CA 1.393 53.363 52.037 -0.112 0.000 0.627 123 A CB -0.331 18.563 19.000 -0.176 0.000 0.818 123 A HN 0.288 nan 8.150 nan 0.000 0.445 124 K N -0.630 119.762 120.400 -0.014 0.000 2.155 124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 124 K C 2.146 178.725 176.600 -0.035 0.000 1.052 124 K CA 1.443 57.712 56.287 -0.031 0.000 0.948 124 K CB -0.238 32.217 32.500 -0.075 0.000 0.728 124 K HN 0.766 nan 8.250 nan 0.000 0.448 125 Q N -0.067 119.730 119.800 -0.004 0.000 2.187 125 Q HA -0.078 4.262 4.340 0.000 0.000 0.199 125 Q C 0.652 176.636 176.000 -0.028 0.000 0.957 125 Q CA 1.316 57.122 55.803 0.005 0.000 0.857 125 Q CB 0.240 29.032 28.738 0.090 0.000 0.929 125 Q HN 0.442 nan 8.270 nan 0.000 0.453 126 G N -0.628 108.148 108.800 -0.040 0.000 2.141 126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 126 G C -0.061 174.792 174.900 -0.078 0.000 0.984 126 G CA 0.186 45.253 45.100 -0.054 0.000 0.660 126 G HN 0.825 nan 8.290 nan 0.000 0.525 127 A N -1.275 121.495 122.820 -0.083 0.000 2.586 127 A HA 0.795 5.115 4.320 0.000 0.000 0.291 127 A C -3.143 174.400 177.584 -0.068 0.000 1.062 127 A CA -0.763 51.218 52.037 -0.094 0.000 0.666 127 A CB 0.704 19.660 19.000 -0.074 0.000 1.281 127 A HN 0.151 nan 8.150 nan 0.000 0.421 128 P HA 0.117 nan 4.420 nan 0.000 0.258 128 P C -0.350 177.010 177.300 0.100 0.000 1.172 128 P CA 0.551 63.661 63.100 0.016 0.000 0.762 128 P CB -0.161 31.550 31.700 0.018 0.000 0.764 129 F N 5.760 125.712 119.950 0.003 0.000 2.604 129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 129 F C 1.176 176.994 175.800 0.031 0.000 1.043 129 F CA 0.377 58.388 58.000 0.019 0.000 1.227 129 F CB -0.398 38.639 39.000 0.061 0.000 1.016 129 F HN 0.274 nan 8.300 nan 0.000 0.556 130 L N 3.588 124.439 121.223 -0.618 0.000 3.839 130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 130 L C 0.621 177.337 176.870 -0.257 0.000 1.195 130 L CA 0.557 55.052 54.840 -0.576 0.000 0.946 130 L CB -2.342 39.222 42.059 -0.824 0.000 1.891 130 L HN 0.734 nan 8.230 nan 0.000 0.963 131 S N -1.835 113.778 115.700 -0.144 0.000 2.645 131 S HA 0.531 5.001 4.470 0.000 0.000 0.266 131 S C 0.316 174.865 174.600 -0.085 0.000 1.258 131 S CA -0.030 58.125 58.200 -0.076 0.000 0.990 131 S CB 2.195 65.376 63.200 -0.031 0.000 0.967 131 S HN 0.278 nan 8.310 nan 0.000 0.556 132 S N 1.556 117.223 115.700 -0.055 0.000 2.498 132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 132 S C -0.357 174.221 174.600 -0.038 0.000 1.071 132 S CA -0.836 57.335 58.200 -0.048 0.000 1.113 132 S CB -0.043 63.141 63.200 -0.027 0.000 0.976 132 S HN 0.786 nan 8.310 nan 0.000 0.462 133 M N 5.982 125.552 119.600 -0.050 0.000 2.238 133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 133 M C -1.088 175.192 176.300 -0.034 0.000 1.173 133 M CA -0.230 55.042 55.300 -0.046 0.000 1.147 133 M CB 0.637 33.199 32.600 -0.063 0.000 1.547 133 M HN 0.423 nan 8.290 nan 0.000 0.455 134 V N 4.664 124.563 119.914 -0.024 0.000 2.465 134 V HA 0.500 4.620 4.120 0.000 0.000 0.279 134 V C 0.426 176.509 176.094 -0.018 0.000 1.045 134 V CA -0.241 62.052 62.300 -0.012 0.000 0.938 134 V CB 1.061 32.881 31.823 -0.005 0.000 0.986 134 V HN 1.022 nan 8.190 nan 0.000 0.467 135 T N -0.227 114.321 114.554 -0.011 0.000 2.838 135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 135 T C 0.261 174.964 174.700 0.004 0.000 1.113 135 T CA -0.278 61.812 62.100 -0.015 0.000 1.008 135 T CB 1.903 70.747 68.868 -0.039 0.000 1.259 135 T HN 0.632 nan 8.240 nan 0.000 0.520 136 D N -0.060 120.342 120.400 0.003 0.000 2.336 136 D HA 0.073 4.713 4.640 0.000 0.000 0.229 136 D C 0.659 176.975 176.300 0.028 0.000 1.061 136 D CA -0.176 53.831 54.000 0.013 0.000 0.875 136 D CB -0.381 40.422 40.800 0.006 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.787 117.513 115.700 0.043 0.000 2.544 137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 137 S C -1.048 173.605 174.600 0.088 0.000 1.276 137 S CA -0.928 57.323 58.200 0.085 0.000 1.075 137 S CB 0.995 64.294 63.200 0.164 0.000 0.849 137 S HN 0.100 nan 8.310 nan 0.000 0.494 138 P HA 0.067 nan 4.420 nan 0.000 0.225 138 P C 0.115 177.430 177.300 0.026 0.000 1.156 138 P CA 0.323 63.445 63.100 0.037 0.000 0.787 138 P CB -0.040 31.674 31.700 0.023 0.000 0.802 139 I N 1.169 121.767 120.570 0.047 0.000 2.648 139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 139 I C 1.321 177.378 176.117 -0.099 0.000 1.153 139 I CA 0.277 61.544 61.300 -0.055 0.000 1.426 139 I CB 0.179 38.137 38.000 -0.070 0.000 1.381 139 I HN -0.269 nan 8.210 nan 0.000 0.571 140 K N 6.639 126.933 120.400 -0.177 0.000 3.233 140 K HA 0.085 4.405 4.320 0.000 0.000 0.283 140 K C -0.709 175.801 176.600 -0.151 0.000 1.209 140 K CA -0.008 56.206 56.287 -0.123 0.000 1.197 140 K CB -0.562 31.885 32.500 -0.088 0.000 1.431 140 K HN 0.388 nan 8.250 nan 0.000 0.326 141 Y N 0.426 120.714 120.300 -0.019 0.000 2.296 141 Y HA 0.303 4.853 4.550 0.000 0.000 0.343 141 Y C 1.546 177.433 175.900 -0.023 0.000 1.292 141 Y CA 0.576 58.661 58.100 -0.024 0.000 1.490 141 Y CB 0.916 39.359 38.460 -0.028 0.000 1.359 141 Y HN 0.449 nan 8.280 nan 0.000 0.599 142 G N 0.163 109.056 108.800 0.155 0.000 2.332 142 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 142 G C -1.791 173.133 174.900 0.039 0.000 1.329 142 G CA -0.862 44.282 45.100 0.073 0.000 0.949 142 G HN 0.525 nan 8.290 nan 0.000 0.476 143 D N 0.522 120.935 120.400 0.022 0.000 2.508 143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 143 D C 1.375 177.682 176.300 0.012 0.000 1.171 143 D CA 0.095 54.102 54.000 0.012 0.000 1.006 143 D CB 0.696 41.502 40.800 0.012 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.837 122.757 119.914 0.010 0.000 2.575 144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 144 V C 1.878 177.976 176.094 0.006 0.000 1.045 144 V CA 0.783 63.086 62.300 0.005 0.000 1.065 144 V CB -0.123 31.699 31.823 -0.002 0.000 0.717 144 V HN 0.555 nan 8.190 nan 0.000 0.467 145 M N -0.412 119.190 119.600 0.004 0.000 2.371 145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 145 M C 0.369 176.683 176.300 0.024 0.000 1.103 145 M CA 0.091 55.396 55.300 0.009 0.000 1.010 145 M CB -0.650 31.947 32.600 -0.005 0.000 1.457 145 M HN 0.387 nan 8.290 nan 0.000 0.486 146 N N 1.149 119.862 118.700 0.022 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.022 176.569 175.510 0.063 0.000 0.993 146 N CA 0.264 53.337 53.050 0.039 0.000 0.759 146 N CB -1.233 37.282 38.487 0.047 0.000 0.906 146 N HN 0.156 nan 8.380 nan 0.000 0.541 147 V N -0.199 119.734 119.914 0.033 0.000 2.287 147 V HA -0.110 4.010 4.120 0.000 0.000 0.248 147 V C 1.408 177.600 176.094 0.163 0.000 1.053 147 V CA 1.559 63.889 62.300 0.050 0.000 1.027 147 V CB 0.020 31.761 31.823 -0.137 0.000 0.646 147 V HN 0.410 nan 8.190 nan 0.000 0.447 148 I N 0.428 121.048 120.570 0.084 0.000 2.410 148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 148 I C -1.139 175.015 176.117 0.062 0.000 1.009 148 I CA -0.304 61.056 61.300 0.101 0.000 1.111 148 I CB 1.757 39.797 38.000 0.066 0.000 1.262 148 I HN 0.222 nan 8.210 nan 0.000 0.443 149 D N 5.448 125.889 120.400 0.070 0.000 2.736 149 D HA 0.803 5.443 4.640 0.000 0.000 0.223 149 D C -1.610 174.734 176.300 0.073 0.000 1.231 149 D CA -0.305 53.733 54.000 0.062 0.000 0.818 149 D CB 2.319 43.159 40.800 0.067 0.000 1.587 149 D HN 0.680 nan 8.370 nan 0.000 0.463 150 A N 2.620 125.486 122.820 0.076 0.000 2.555 150 A HA 0.631 4.951 4.320 0.000 0.000 0.297 150 A C -2.847 174.816 177.584 0.131 0.000 1.060 150 A CA -1.205 50.901 52.037 0.114 0.000 0.710 150 A CB 1.152 20.203 19.000 0.084 0.000 1.282 150 A HN 0.433 nan 8.150 nan 0.000 0.399 151 P HA 0.338 nan 4.420 nan 0.000 0.268 151 P C 1.076 178.507 177.300 0.218 0.000 1.204 151 P CA 0.535 63.734 63.100 0.165 0.000 0.768 151 P CB 1.114 32.897 31.700 0.139 0.000 0.842 152 A N 3.030 125.933 122.820 0.138 0.000 1.978 152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 152 A C 1.007 178.709 177.584 0.197 0.000 1.170 152 A CA 1.999 54.111 52.037 0.125 0.000 0.636 152 A CB -0.905 18.139 19.000 0.074 0.000 0.810 152 A HN 0.643 nan 8.150 nan 0.000 0.448 153 T N -3.857 110.804 114.554 0.178 0.000 2.883 153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 153 T C -0.873 173.849 174.700 0.038 0.000 1.158 153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 153 T CB 1.493 70.402 68.868 0.068 0.000 1.186 153 T HN 0.167 nan 8.240 nan 0.000 0.499 154 I N 1.736 122.250 120.570 -0.093 0.000 2.439 154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 154 I C 0.614 176.651 176.117 -0.133 0.000 1.023 154 I CA -1.105 60.086 61.300 -0.182 0.000 1.100 154 I CB 1.447 39.202 38.000 -0.408 0.000 1.238 154 I HN 1.033 nan 8.210 nan 0.000 0.445 155 A N 4.727 127.498 122.820 -0.082 0.000 2.346 155 A HA 0.705 5.025 4.320 0.000 0.000 0.252 155 A C 0.641 178.186 177.584 -0.065 0.000 1.089 155 A CA -0.272 51.729 52.037 -0.060 0.000 0.797 155 A CB 0.441 19.420 19.000 -0.035 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.035 122.761 122.820 -0.039 0.000 2.566 156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 156 A C 1.622 179.191 177.584 -0.024 0.000 1.056 156 A CA 0.961 52.991 52.037 -0.011 0.000 0.757 156 A CB -1.115 17.911 19.000 0.043 0.000 0.979 156 A HN 2.751 nan 8.150 nan 0.000 0.508 157 G N 0.883 109.659 108.800 -0.038 0.000 2.199 157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 157 G C 0.565 175.432 174.900 -0.054 0.000 0.982 157 G CA 0.571 45.645 45.100 -0.044 0.000 0.632 157 G HN 2.180 nan 8.290 nan 0.000 0.529 158 A N -0.485 122.294 122.820 -0.068 0.000 2.264 158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 158 A C 0.258 177.787 177.584 -0.092 0.000 1.100 158 A CA 0.684 52.679 52.037 -0.070 0.000 0.839 158 A CB 1.053 20.014 19.000 -0.066 0.000 1.121 158 A HN 0.710 nan 8.150 nan 0.000 0.496 159 T N 0.530 115.041 114.554 -0.072 0.000 2.812 159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 159 T C 0.152 174.818 174.700 -0.057 0.000 0.990 159 T CA 0.056 62.112 62.100 -0.074 0.000 0.960 159 T CB 1.497 70.338 68.868 -0.046 0.000 0.948 159 T HN 1.045 nan 8.240 nan 0.000 0.438 160 G N 1.905 110.663 108.800 -0.070 0.000 2.400 160 G HA2 0.635 4.595 3.960 0.000 0.000 0.333 160 G HA3 0.635 4.595 3.960 0.000 0.000 0.333 160 G C -0.880 174.037 174.900 0.027 0.000 1.143 160 G CA -0.576 44.510 45.100 -0.023 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.640 120.872 120.200 0.053 0.000 2.158 161 E HA 0.477 4.827 4.350 0.000 0.000 0.271 161 E C -0.908 175.753 176.600 0.101 0.000 0.911 161 E CA -0.516 55.926 56.400 0.071 0.000 0.767 161 E CB 2.378 32.108 29.700 0.051 0.000 1.120 161 E HN 0.133 nan 8.360 nan 0.000 0.405 162 L N 1.414 122.710 121.223 0.121 0.000 2.341 162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 162 L C 0.056 176.991 176.870 0.108 0.000 1.009 162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 162 L CB 2.101 44.272 42.059 0.186 0.000 1.323 162 L HN 0.328 nan 8.230 nan 0.000 0.425 163 T N 2.234 116.847 114.554 0.097 0.000 2.921 163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 163 T C -1.092 173.653 174.700 0.076 0.000 1.013 163 T CA -0.364 61.785 62.100 0.081 0.000 0.990 163 T CB 1.640 70.576 68.868 0.113 0.000 1.023 163 T HN 0.439 nan 8.240 nan 0.000 0.447 164 M N 3.174 122.787 119.600 0.022 0.000 2.501 164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 164 M C -2.375 173.878 176.300 -0.078 0.000 1.192 164 M CA -0.757 54.533 55.300 -0.017 0.000 0.886 164 M CB 1.694 34.261 32.600 -0.056 0.000 1.710 164 M HN 0.619 nan 8.290 nan 0.000 0.457 165 Y N 2.720 122.988 120.300 -0.053 0.000 2.462 165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 165 Y C -1.529 174.415 175.900 0.074 0.000 0.976 165 Y CA -0.329 57.852 58.100 0.136 0.000 1.044 165 Y CB 2.063 40.658 38.460 0.225 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.204 121.799 120.300 0.492 0.000 2.477 166 Y HA 0.283 4.833 4.550 0.000 0.000 0.347 166 Y C -1.020 175.098 175.900 0.363 0.000 0.981 166 Y CA -1.554 56.728 58.100 0.303 0.000 1.033 166 Y CB 2.036 40.561 38.460 0.109 0.000 1.245 166 Y HN 0.644 nan 8.280 nan 0.000 0.455 167 W N 5.007 126.391 121.300 0.140 0.000 2.361 167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 167 W C -1.901 174.642 176.519 0.041 0.000 1.041 167 W CA -1.021 56.398 57.345 0.122 0.000 1.241 167 W CB 1.451 30.942 29.460 0.051 0.000 1.279 167 W HN 0.311 nan 8.180 nan 0.000 0.436 168 V N 9.398 129.025 119.914 -0.477 0.000 2.334 168 V HA 0.190 4.310 4.120 0.000 0.000 0.267 168 V C -1.587 174.015 176.094 -0.821 0.000 1.040 168 V CA -1.520 60.512 62.300 -0.447 0.000 0.866 168 V CB 0.941 32.632 31.823 -0.221 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.394 nan 4.420 nan 0.000 0.286 169 P C 0.034 177.232 177.300 -0.171 0.000 1.261 169 P CA -0.311 62.624 63.100 -0.274 0.000 0.821 169 P CB 2.529 34.390 31.700 0.269 0.000 1.013 170 L N 1.304 122.468 121.223 -0.098 0.000 2.675 170 L HA 0.324 4.664 4.340 0.000 0.000 0.178 170 L C 1.362 178.361 176.870 0.215 0.000 1.135 170 L CA 0.100 54.900 54.840 -0.066 0.000 0.855 170 L CB -0.779 41.106 42.059 -0.291 0.000 1.235 170 L HN 0.325 nan 8.230 nan 0.000 0.499 171 A N -0.907 122.009 122.820 0.159 0.000 2.407 171 A HA -0.013 4.307 4.320 0.000 0.000 0.248 171 A C 0.523 178.260 177.584 0.255 0.000 1.082 171 A CA 0.026 52.178 52.037 0.192 0.000 0.785 171 A CB -0.014 19.061 19.000 0.126 0.000 1.020 171 A HN 0.361 nan 8.150 nan 0.000 0.489 172 Y N 2.249 122.538 120.300 -0.019 0.000 2.181 172 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 172 Y C 1.275 177.128 175.900 -0.077 0.000 1.146 172 Y CA 1.784 59.702 58.100 -0.304 0.000 1.164 172 Y CB 0.021 38.324 38.460 -0.261 0.000 0.982 172 Y HN 0.878 nan 8.280 nan 0.000 0.515 173 S N -2.423 113.255 115.700 -0.038 0.000 2.790 173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 173 S C 0.347 174.930 174.600 -0.028 0.000 1.197 173 S CA -0.622 57.513 58.200 -0.108 0.000 0.851 173 S CB 1.078 64.200 63.200 -0.131 0.000 1.217 173 S HN 0.082 nan 8.310 nan 0.000 0.526 174 E N 1.097 121.252 120.200 -0.076 0.000 2.274 174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 174 E C 1.691 178.264 176.600 -0.045 0.000 0.996 174 E CA 1.817 58.173 56.400 -0.072 0.000 0.840 174 E CB -0.320 29.308 29.700 -0.119 0.000 0.772 174 E HN 0.847 nan 8.360 nan 0.000 0.491 175 T N -2.436 112.103 114.554 -0.025 0.000 2.985 175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 175 T C 0.445 175.153 174.700 0.013 0.000 1.021 175 T CA -0.306 61.786 62.100 -0.012 0.000 0.957 175 T CB 0.440 69.300 68.868 -0.013 0.000 1.047 175 T HN -0.208 nan 8.240 nan 0.000 0.511 176 D N 1.198 121.629 120.400 0.051 0.000 2.453 176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 176 D C 0.629 176.966 176.300 0.062 0.000 1.088 176 D CA -0.671 53.370 54.000 0.068 0.000 0.854 176 D CB 1.020 41.924 40.800 0.172 0.000 1.076 176 D HN 0.216 nan 8.370 nan 0.000 0.533 177 L N 2.491 123.723 121.223 0.014 0.000 2.627 177 L HA 0.085 4.425 4.340 0.000 0.000 0.233 177 L C 0.776 177.645 176.870 -0.002 0.000 1.144 177 L CA 0.161 55.010 54.840 0.016 0.000 0.892 177 L CB -0.345 41.715 42.059 0.000 0.000 1.039 177 L HN 0.254 nan 8.230 nan 0.000 0.442 178 T N 0.862 115.380 114.554 -0.059 0.000 2.871 178 T HA 0.225 4.575 4.350 0.000 0.000 0.296 178 T C 1.260 175.951 174.700 -0.014 0.000 0.998 178 T CA 1.057 63.052 62.100 -0.174 0.000 1.162 178 T CB 0.842 69.393 68.868 -0.529 0.000 0.947 178 T HN 0.632 nan 8.240 nan 0.000 0.536 179 G N 2.046 110.866 108.800 0.034 0.000 2.195 179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 179 G C 0.363 175.376 174.900 0.189 0.000 0.984 179 G CA -0.029 45.192 45.100 0.202 0.000 0.633 179 G HN 1.159 nan 8.290 nan 0.000 0.525 180 A N -0.476 122.407 122.820 0.106 0.000 2.386 180 A HA 0.650 4.970 4.320 0.000 0.000 0.246 180 A C 0.403 178.029 177.584 0.070 0.000 1.089 180 A CA 0.745 52.819 52.037 0.060 0.000 0.790 180 A CB 0.875 19.897 19.000 0.037 0.000 1.042 180 A HN 1.195 nan 8.150 nan 0.000 0.497 181 V N 1.874 121.806 119.914 0.030 0.000 2.448 181 V HA 0.288 4.408 4.120 0.000 0.000 0.295 181 V C -0.475 175.651 176.094 0.052 0.000 1.025 181 V CA -0.509 61.829 62.300 0.063 0.000 0.859 181 V CB 1.342 33.200 31.823 0.060 0.000 0.988 181 V HN 0.767 nan 8.190 nan 0.000 0.431 182 L N 5.178 126.439 121.223 0.064 0.000 2.325 182 L HA 0.587 4.927 4.340 0.000 0.000 0.284 182 L C 0.870 177.775 176.870 0.059 0.000 1.089 182 L CA 0.712 55.581 54.840 0.048 0.000 0.836 182 L CB 0.988 43.081 42.059 0.055 0.000 1.184 182 L HN 0.749 nan 8.230 nan 0.000 0.444 183 A N 3.384 126.228 122.820 0.040 0.000 2.469 183 A HA 0.244 4.564 4.320 0.000 0.000 0.245 183 A C 1.105 178.706 177.584 0.028 0.000 1.221 183 A CA -0.123 51.937 52.037 0.040 0.000 0.946 183 A CB -0.206 18.814 19.000 0.034 0.000 1.049 183 A HN 0.721 nan 8.150 nan 0.000 0.529 184 N N -0.228 118.492 118.700 0.034 0.000 2.398 184 N HA -0.004 4.736 4.740 0.000 0.000 0.188 184 N C 1.111 176.675 175.510 0.090 0.000 1.122 184 N CA 0.746 53.830 53.050 0.057 0.000 0.866 184 N CB 0.734 39.262 38.487 0.068 0.000 0.970 184 N HN 0.279 nan 8.380 nan 0.000 0.462 185 V N 0.184 120.149 119.914 0.085 0.000 3.650 185 V HA 0.236 4.356 4.120 0.000 0.000 0.271 185 V C -2.125 174.005 176.094 0.059 0.000 1.281 185 V CA 0.214 62.566 62.300 0.087 0.000 1.120 185 V CB -0.277 31.602 31.823 0.095 0.000 0.856 185 V HN 0.146 nan 8.190 nan 0.000 0.443 186 P HA 0.404 nan 4.420 nan 0.000 0.339 186 P C -0.677 176.639 177.300 0.027 0.000 1.349 186 P CA -0.497 62.625 63.100 0.035 0.000 1.337 186 P CB 2.185 33.907 31.700 0.037 0.000 2.276 187 Q N -0.596 119.215 119.800 0.018 0.000 2.398 187 Q HA 0.089 4.429 4.340 0.000 0.000 0.204 187 Q C 0.852 176.856 176.000 0.005 0.000 0.932 187 Q CA 0.326 56.136 55.803 0.011 0.000 0.916 187 Q CB 0.217 28.959 28.738 0.008 0.000 1.024 187 Q HN 0.410 nan 8.270 nan 0.000 0.504 188 S N 2.050 117.754 115.700 0.006 0.000 2.544 188 S HA 0.010 4.480 4.470 0.000 0.000 0.290 188 S C -0.031 174.566 174.600 -0.005 0.000 1.276 188 S CA -0.348 57.850 58.200 -0.002 0.000 1.075 188 S CB 0.268 63.469 63.200 0.002 0.000 0.849 188 S HN 0.214 nan 8.310 nan 0.000 0.494 189 K N 4.320 124.707 120.400 -0.021 0.000 2.202 189 K HA 0.282 4.602 4.320 0.000 0.000 0.264 189 K C -0.117 176.456 176.600 -0.046 0.000 1.010 189 K CA -0.591 55.680 56.287 -0.026 0.000 0.940 189 K CB 0.541 33.018 32.500 -0.038 0.000 0.983 189 K HN 0.613 nan 8.250 nan 0.000 0.475 190 Q N 1.092 120.871 119.800 -0.035 0.000 2.212 190 Q HA 0.324 4.664 4.340 0.000 0.000 0.238 190 Q C -0.771 175.147 176.000 -0.137 0.000 0.955 190 Q CA -0.719 55.031 55.803 -0.088 0.000 0.906 190 Q CB 1.520 30.288 28.738 0.049 0.000 1.215 190 Q HN 0.462 nan 8.270 nan 0.000 0.478 191 R N 1.218 121.570 120.500 -0.245 0.000 2.483 191 R HA 0.378 4.718 4.340 0.000 0.000 0.303 191 R C -1.628 174.557 176.300 -0.192 0.000 0.987 191 R CA -0.735 55.260 56.100 -0.176 0.000 0.881 191 R CB 1.189 31.402 30.300 -0.146 0.000 1.177 191 R HN 0.330 nan 8.270 nan 0.000 0.451 192 L N 3.789 124.908 121.223 -0.173 0.000 2.301 192 L HA 0.390 4.730 4.340 0.000 0.000 0.278 192 L C -0.864 175.907 176.870 -0.165 0.000 1.022 192 L CA -0.256 54.468 54.840 -0.193 0.000 0.854 192 L CB 0.807 42.603 42.059 -0.438 0.000 1.226 192 L HN 0.397 nan 8.230 nan 0.000 0.429 193 K N 6.144 126.475 120.400 -0.114 0.000 2.201 193 K HA 0.597 4.917 4.320 0.000 0.000 0.278 193 K C -1.219 175.259 176.600 -0.203 0.000 1.027 193 K CA -0.408 55.809 56.287 -0.117 0.000 0.909 193 K CB 1.343 33.817 32.500 -0.043 0.000 1.062 193 K HN 0.541 nan 8.250 nan 0.000 0.465 194 L N 2.475 123.552 121.223 -0.244 0.000 2.381 194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 194 L C -0.432 176.203 176.870 -0.393 0.000 0.988 194 L CA -0.621 53.956 54.840 -0.439 0.000 0.824 194 L CB 1.931 43.590 42.059 -0.667 0.000 1.263 194 L HN 0.649 nan 8.230 nan 0.000 0.410 195 E N 3.212 123.161 120.200 -0.420 0.000 2.129 195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 195 E C -1.301 175.122 176.600 -0.296 0.000 0.900 195 E CA -0.608 55.651 56.400 -0.235 0.000 0.755 195 E CB 1.032 30.648 29.700 -0.139 0.000 1.117 195 E HN 0.300 nan 8.360 nan 0.000 0.410 196 F N 1.904 121.867 119.950 0.021 0.000 2.370 196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 196 F C 1.076 176.904 175.800 0.047 0.000 1.129 196 F CA -0.544 57.494 58.000 0.063 0.000 1.109 196 F CB 0.838 39.970 39.000 0.220 0.000 1.262 196 F HN 0.508 nan 8.300 nan 0.000 0.534 197 A N 1.663 124.630 122.820 0.244 0.000 2.448 197 A HA 0.394 4.714 4.320 0.000 0.000 0.239 197 A C -0.260 177.383 177.584 0.098 0.000 1.080 197 A CA -0.164 51.975 52.037 0.170 0.000 0.779 197 A CB -0.198 18.952 19.000 0.250 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.710 118.103 118.700 0.188 0.000 3.102 198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 198 N C -0.119 175.641 175.510 0.416 0.000 1.482 198 N CA -0.821 52.368 53.050 0.232 0.000 0.785 198 N CB 0.350 38.947 38.487 0.183 0.000 1.680 198 N HN 0.298 nan 8.380 nan 0.000 0.594 199 N N -0.567 118.401 118.700 0.446 0.000 2.520 199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 199 N C -0.027 175.695 175.510 0.352 0.000 1.068 199 N CA 0.667 54.020 53.050 0.505 0.000 0.911 199 N CB -0.535 38.202 38.487 0.417 0.000 0.961 199 N HN 0.579 nan 8.380 nan 0.000 0.446 200 N N -1.026 117.812 118.700 0.230 0.000 2.388 200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 200 N C 1.503 177.083 175.510 0.117 0.000 1.062 200 N CA 0.803 53.953 53.050 0.167 0.000 0.895 200 N CB 0.389 38.954 38.487 0.131 0.000 1.018 200 N HN 0.244 nan 8.380 nan 0.000 0.456 201 T N -2.849 111.758 114.554 0.089 0.000 3.000 201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 201 T C 1.850 176.516 174.700 -0.057 0.000 1.034 201 T CA 0.159 62.287 62.100 0.046 0.000 1.060 201 T CB 0.097 69.012 68.868 0.078 0.000 0.983 201 T HN 0.039 nan 8.240 nan 0.000 0.482 202 A N 0.808 123.483 122.820 -0.241 0.000 2.066 202 A HA 0.409 4.729 4.320 0.000 0.000 0.218 202 A C 0.289 177.368 177.584 -0.841 0.000 1.157 202 A CA 0.177 51.836 52.037 -0.631 0.000 0.670 202 A CB -0.627 17.772 19.000 -1.001 0.000 0.804 202 A HN 0.600 nan 8.150 nan 0.000 0.453 203 F N -0.855 119.154 119.950 0.099 0.000 2.477 203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 203 F C 0.220 176.054 175.800 0.057 0.000 1.130 203 F CA -0.808 57.234 58.000 0.069 0.000 0.948 203 F CB 1.749 40.769 39.000 0.032 0.000 1.154 203 F HN 0.051 nan 8.300 nan 0.000 0.439 204 A N 2.209 125.141 122.820 0.186 0.000 2.304 204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 204 A C -0.215 177.427 177.584 0.097 0.000 1.195 204 A CA -0.633 51.470 52.037 0.110 0.000 0.826 204 A CB 0.680 19.712 19.000 0.054 0.000 1.184 204 A HN 0.942 nan 8.150 nan 0.000 0.496 205 A N 1.800 124.666 122.820 0.076 0.000 2.366 205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 205 A C 0.431 178.035 177.584 0.032 0.000 1.084 205 A CA -0.294 51.772 52.037 0.050 0.000 0.794 205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 205 A HN 1.215 nan 8.150 nan 0.000 0.491 206 V N 1.374 121.298 119.914 0.016 0.000 2.694 206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 206 V C 1.704 177.805 176.094 0.011 0.000 1.054 206 V CA 1.855 64.161 62.300 0.009 0.000 1.161 206 V CB 0.015 31.837 31.823 -0.002 0.000 0.916 206 V HN 1.982 nan 8.190 nan 0.000 0.490 207 G N 3.134 111.940 108.800 0.009 0.000 2.225 207 G HA2 -0.127 3.833 3.960 0.000 0.000 0.254 207 G HA3 -0.127 3.833 3.960 0.000 0.000 0.254 207 G C 0.383 175.290 174.900 0.010 0.000 0.988 207 G CA 0.288 45.391 45.100 0.006 0.000 0.625 207 G HN 1.524 nan 8.290 nan 0.000 0.527 208 A N -0.233 122.598 122.820 0.020 0.000 2.264 208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 208 A C 0.471 178.073 177.584 0.030 0.000 1.100 208 A CA 0.020 52.073 52.037 0.026 0.000 0.839 208 A CB 0.452 19.474 19.000 0.037 0.000 1.121 208 A HN 0.490 nan 8.150 nan 0.000 0.496 209 N N 1.163 119.885 118.700 0.037 0.000 2.452 209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 209 N C -1.778 173.757 175.510 0.040 0.000 1.209 209 N CA -1.280 51.807 53.050 0.061 0.000 0.929 209 N CB 1.006 39.533 38.487 0.066 0.000 1.063 209 N HN 0.350 nan 8.380 nan 0.000 0.472 210 P HA 0.001 nan 4.420 nan 0.000 0.261 210 P C 1.505 178.637 177.300 -0.281 0.000 1.268 210 P CA -0.137 62.897 63.100 -0.110 0.000 0.833 210 P CB 0.472 32.087 31.700 -0.141 0.000 1.231 211 L N 1.554 122.629 121.223 -0.247 0.000 2.010 211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 211 L C 1.735 178.402 176.870 -0.338 0.000 1.077 211 L CA 2.208 56.773 54.840 -0.458 0.000 0.773 211 L CB -0.884 41.149 42.059 -0.044 0.000 0.892 211 L HN -0.120 nan 8.230 nan 0.000 0.436 212 E N -0.007 120.156 120.200 -0.063 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.685 177.307 176.600 0.037 0.000 1.039 212 E CA 0.574 57.021 56.400 0.078 0.000 0.881 212 E CB -0.064 29.720 29.700 0.140 0.000 0.970 212 E HN 0.577 nan 8.360 nan 0.000 0.486 213 A N 0.748 123.538 122.820 -0.049 0.000 2.271 213 A HA 0.506 4.826 4.320 0.000 0.000 0.288 213 A C 1.108 178.646 177.584 -0.076 0.000 1.094 213 A CA -0.444 51.558 52.037 -0.059 0.000 0.828 213 A CB 0.529 19.501 19.000 -0.048 0.000 1.091 213 A HN 0.047 nan 8.150 nan 0.000 0.493 214 I N -1.565 118.951 120.570 -0.090 0.000 3.039 214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 214 I C -0.354 175.578 176.117 -0.309 0.000 1.150 214 I CA 0.657 61.872 61.300 -0.141 0.000 1.448 214 I CB -0.010 37.967 38.000 -0.038 0.000 1.197 214 I HN 0.585 nan 8.210 nan 0.000 0.450 215 Y N 0.346 120.667 120.300 0.035 0.000 2.499 215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 215 Y C -0.238 175.717 175.900 0.092 0.000 0.987 215 Y CA -0.738 57.418 58.100 0.093 0.000 1.044 215 Y CB 1.762 40.329 38.460 0.179 0.000 1.245 215 Y HN -0.062 nan 8.280 nan 0.000 0.461 216 Q N 1.304 121.228 119.800 0.206 0.000 2.389 216 Q HA 0.771 5.111 4.340 0.000 0.000 0.277 216 Q C -0.978 175.079 176.000 0.095 0.000 1.082 216 Q CA -0.641 55.234 55.803 0.121 0.000 0.810 216 Q CB 2.694 31.459 28.738 0.044 0.000 1.374 216 Q HN 0.970 nan 8.270 nan 0.000 0.422 217 G N 0.339 109.171 108.800 0.053 0.000 2.336 217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 217 G C -0.206 174.667 174.900 -0.044 0.000 1.375 217 G CA -0.129 44.974 45.100 0.005 0.000 0.885 217 G HN 0.739 nan 8.290 nan 0.000 0.599 218 A N -0.837 121.928 122.820 -0.093 0.000 2.024 218 A HA 0.292 4.612 4.320 0.000 0.000 0.220 218 A C 2.281 179.674 177.584 -0.319 0.000 1.164 218 A CA 2.803 54.744 52.037 -0.159 0.000 0.643 218 A CB -0.492 18.410 19.000 -0.163 0.000 0.806 218 A HN 2.033 nan 8.150 nan 0.000 0.451 219 G N -1.698 106.888 108.800 -0.356 0.000 3.189 219 G HA2 0.348 4.308 3.960 0.000 0.000 0.225 219 G HA3 0.348 4.308 3.960 0.000 0.000 0.225 219 G C 1.268 176.075 174.900 -0.155 0.000 1.159 219 G CA 0.864 45.688 45.100 -0.460 0.000 0.763 219 G HN 0.626 nan 8.290 nan 0.000 0.549 220 A N 1.452 124.220 122.820 -0.087 0.000 1.917 220 A HA 0.102 4.422 4.320 0.000 0.000 0.219 220 A C 2.772 180.346 177.584 -0.016 0.000 1.182 220 A CA 2.235 54.261 52.037 -0.017 0.000 0.633 220 A CB -0.734 18.319 19.000 0.088 0.000 0.819 220 A HN 0.805 nan 8.150 nan 0.000 0.448 221 A N -0.643 122.196 122.820 0.031 0.000 2.032 221 A HA -0.174 4.146 4.320 0.000 0.000 0.221 221 A C 1.347 178.937 177.584 0.011 0.000 1.165 221 A CA 1.807 53.874 52.037 0.050 0.000 0.645 221 A CB -0.357 18.685 19.000 0.071 0.000 0.807 221 A HN 0.489 nan 8.150 nan 0.000 0.453 222 D N -1.237 119.161 120.400 -0.002 0.000 2.424 222 D HA 0.199 4.839 4.640 0.000 0.000 0.220 222 D C -0.358 175.826 176.300 -0.193 0.000 1.150 222 D CA -0.042 53.926 54.000 -0.052 0.000 0.831 222 D CB -0.097 40.711 40.800 0.013 0.000 0.981 222 D HN 0.291 nan 8.370 nan 0.000 0.500 223 C N 1.543 120.604 119.300 -0.398 0.000 2.398 223 C HA 0.570 5.030 4.460 0.000 0.000 0.364 223 C C 0.529 175.009 174.990 -0.850 0.000 1.219 223 C CA -0.507 58.033 59.018 -0.797 0.000 2.312 223 C CB 0.872 27.755 27.740 -1.429 0.000 2.428 223 C HN 0.399 nan 8.230 nan 0.000 0.564 224 E N 0.607 120.400 120.200 -0.677 0.000 2.407 224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 224 E C -1.733 174.820 176.600 -0.079 0.000 1.012 224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 224 E CB 0.625 30.301 29.700 -0.039 0.000 1.276 224 E HN 0.401 nan 8.360 nan 0.000 0.452 225 F N 1.460 121.529 119.950 0.198 0.000 2.427 225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 225 F C 1.781 177.603 175.800 0.036 0.000 1.100 225 F CA 0.046 58.129 58.000 0.139 0.000 1.191 225 F CB 1.442 40.514 39.000 0.121 0.000 1.128 225 F HN 0.764 nan 8.300 nan 0.000 0.533 226 E N 2.423 122.733 120.200 0.184 0.000 2.076 226 E HA -0.046 4.304 4.350 0.000 0.000 0.190 226 E C -0.243 176.393 176.600 0.061 0.000 0.979 226 E CA 0.890 57.340 56.400 0.083 0.000 0.807 226 E CB 0.367 30.090 29.700 0.038 0.000 0.761 226 E HN 0.806 nan 8.360 nan 0.000 0.454 227 E N -1.011 119.224 120.200 0.059 0.000 2.398 227 E HA 0.352 4.702 4.350 0.000 0.000 0.280 227 E C -1.303 175.163 176.600 -0.223 0.000 1.122 227 E CA -0.689 55.639 56.400 -0.120 0.000 0.873 227 E CB 0.543 30.164 29.700 -0.132 0.000 1.294 227 E HN 0.045 nan 8.360 nan 0.000 0.435 228 I N 0.955 121.157 120.570 -0.612 0.000 2.647 228 I HA 0.564 4.734 4.170 0.000 0.000 0.295 228 I C -0.899 174.791 176.117 -0.713 0.000 1.078 228 I CA -0.942 59.932 61.300 -0.710 0.000 1.048 228 I CB 2.218 39.532 38.000 -1.142 0.000 1.239 228 I HN 0.562 nan 8.210 nan 0.000 0.421 229 S N 4.175 119.654 115.700 -0.369 0.000 2.549 229 S HA 0.782 5.252 4.470 0.000 0.000 0.280 229 S C -1.592 172.946 174.600 -0.103 0.000 1.109 229 S CA -0.435 57.609 58.200 -0.261 0.000 0.905 229 S CB 1.448 64.535 63.200 -0.188 0.000 1.081 229 S HN 0.483 nan 8.310 nan 0.000 0.477 230 Y N -0.181 120.035 120.300 -0.140 0.000 2.562 230 Y HA 0.828 5.378 4.550 0.000 0.000 0.345 230 Y C -0.869 175.005 175.900 -0.043 0.000 1.045 230 Y CA -0.840 57.237 58.100 -0.038 0.000 1.028 230 Y CB 1.409 39.916 38.460 0.078 0.000 1.297 230 Y HN 0.436 nan 8.280 nan 0.000 0.463 231 T N 2.890 117.557 114.554 0.189 0.000 2.928 231 T HA 0.537 4.887 4.350 0.000 0.000 0.296 231 T C -1.450 173.334 174.700 0.141 0.000 1.000 231 T CA -0.654 61.470 62.100 0.039 0.000 0.989 231 T CB 1.528 70.360 68.868 -0.060 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.067 124.037 119.914 0.093 0.000 2.398 232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 232 V C -1.148 174.980 176.094 0.056 0.000 1.026 232 V CA -0.767 61.630 62.300 0.161 0.000 0.868 232 V CB 0.905 32.824 31.823 0.160 0.000 0.982 232 V HN 0.818 nan 8.190 nan 0.000 0.443 233 Y N 2.977 123.459 120.300 0.303 0.000 2.352 233 Y HA 0.500 5.050 4.550 0.000 0.000 0.339 233 Y C 0.296 176.394 175.900 0.329 0.000 0.992 233 Y CA -0.332 57.944 58.100 0.293 0.000 1.100 233 Y CB 1.731 40.360 38.460 0.283 0.000 1.192 233 Y HN 0.566 nan 8.280 nan 0.000 0.458 234 Q N 2.163 122.230 119.800 0.445 0.000 2.271 234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 234 Q C -0.886 175.281 176.000 0.279 0.000 0.936 234 Q CA -0.572 55.410 55.803 0.299 0.000 0.909 234 Q CB 1.325 30.266 28.738 0.339 0.000 1.253 234 Q HN 0.653 nan 8.270 nan 0.000 0.440 235 S N 4.384 120.153 115.700 0.114 0.000 2.433 235 S HA 0.622 5.092 4.470 0.000 0.000 0.310 235 S C -1.370 173.312 174.600 0.136 0.000 1.097 235 S CA -0.378 57.914 58.200 0.154 0.000 1.103 235 S CB 0.227 63.625 63.200 0.329 0.000 0.992 235 S HN 0.572 nan 8.310 nan 0.000 0.469 236 Y N 2.082 122.382 120.300 -0.000 0.000 2.689 236 Y HA 0.727 5.277 4.550 0.000 0.000 0.333 236 Y C -1.811 174.087 175.900 -0.004 0.000 1.190 236 Y CA -1.583 56.503 58.100 -0.022 0.000 1.063 236 Y CB 0.884 39.330 38.460 -0.023 0.000 1.294 236 Y HN 0.414 nan 8.280 nan 0.000 0.466 237 L N 2.403 123.705 121.223 0.132 0.000 2.313 237 L HA 0.478 4.818 4.340 0.000 0.000 0.283 237 L C -0.854 176.112 176.870 0.159 0.000 1.013 237 L CA -0.570 54.292 54.840 0.037 0.000 0.816 237 L CB 1.440 43.504 42.059 0.008 0.000 1.236 237 L HN 0.689 nan 8.230 nan 0.000 0.419 238 D N 1.804 122.277 120.400 0.122 0.000 2.449 238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 238 D C -0.340 176.021 176.300 0.103 0.000 1.050 238 D CA -0.016 54.090 54.000 0.178 0.000 1.024 238 D CB 1.428 42.370 40.800 0.237 0.000 1.218 238 D HN 0.362 nan 8.370 nan 0.000 0.566 239 Q N 0.159 120.013 119.800 0.089 0.000 2.470 239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 239 Q C -0.480 175.537 176.000 0.028 0.000 1.356 239 Q CA 0.363 56.207 55.803 0.069 0.000 0.805 239 Q CB -1.845 26.943 28.738 0.083 0.000 1.157 239 Q HN 0.470 nan 8.270 nan 0.000 0.431 240 L N 2.007 123.199 121.223 -0.052 0.000 2.490 240 L HA 0.118 4.458 4.340 0.000 0.000 0.274 240 L C -1.026 175.818 176.870 -0.043 0.000 1.201 240 L CA -1.081 53.667 54.840 -0.153 0.000 0.869 240 L CB -0.217 41.544 42.059 -0.498 0.000 1.123 240 L HN 0.014 nan 8.230 nan 0.000 0.484 241 P HA 0.143 nan 4.420 nan 0.000 0.271 241 P C -0.822 176.572 177.300 0.157 0.000 1.216 241 P CA -0.183 62.958 63.100 0.068 0.000 0.771 241 P CB 1.388 33.113 31.700 0.041 0.000 0.864 242 V N 2.424 122.442 119.914 0.174 0.000 2.667 242 V HA 0.774 4.894 4.120 0.000 0.000 0.308 242 V C 0.879 177.034 176.094 0.100 0.000 1.048 242 V CA -0.209 62.206 62.300 0.191 0.000 0.928 242 V CB 1.764 33.683 31.823 0.160 0.000 1.004 242 V HN 0.901 nan 8.190 nan 0.000 0.444 243 G N 1.119 109.967 108.800 0.080 0.000 3.176 243 G HA2 0.446 4.406 3.960 0.000 0.000 0.272 243 G HA3 0.446 4.406 3.960 0.000 0.000 0.272 243 G C 0.012 174.929 174.900 0.029 0.000 1.349 243 G CA -0.350 44.780 45.100 0.049 0.000 0.953 243 G HN 0.567 nan 8.290 nan 0.000 0.559 244 Q N -0.378 119.435 119.800 0.022 0.000 1.722 244 Q HA -0.282 4.058 4.340 0.000 0.000 0.373 244 Q C 2.261 178.264 176.000 0.006 0.000 1.042 244 Q CA 2.228 58.038 55.803 0.012 0.000 0.879 244 Q CB -0.396 28.350 28.738 0.013 0.000 0.975 244 Q HN 0.480 nan 8.270 nan 0.000 0.405 245 N N 0.099 118.804 118.700 0.007 0.000 2.137 245 N HA -0.091 4.649 4.740 0.000 0.000 0.190 245 N C 0.785 176.291 175.510 -0.007 0.000 1.017 245 N CA 1.516 54.568 53.050 0.002 0.000 0.859 245 N CB -0.140 38.353 38.487 0.010 0.000 1.002 245 N HN 0.508 nan 8.380 nan 0.000 0.428 246 G N -1.914 106.886 108.800 0.001 0.000 2.292 246 G HA2 -0.086 3.874 3.960 0.000 0.000 0.194 246 G HA3 -0.086 3.874 3.960 0.000 0.000 0.194 246 G C -1.254 173.693 174.900 0.077 0.000 1.329 246 G CA -0.791 44.292 45.100 -0.029 0.000 1.100 246 G HN 0.127 nan 8.290 nan 0.000 0.470 247 Y N 0.946 121.257 120.300 0.018 0.000 2.805 247 Y HA 0.211 4.761 4.550 0.000 0.000 0.331 247 Y C 1.244 177.155 175.900 0.018 0.000 1.241 247 Y CA -0.074 58.038 58.100 0.021 0.000 1.546 247 Y CB 0.227 38.701 38.460 0.024 0.000 1.248 247 Y HN 0.196 nan 8.280 nan 0.000 0.559 248 I N 6.727 127.407 120.570 0.183 0.000 2.308 248 I HA 0.122 4.292 4.170 0.000 0.000 0.293 248 I C -0.473 175.678 176.117 0.057 0.000 1.078 248 I CA 0.268 61.623 61.300 0.092 0.000 1.292 248 I CB 0.052 38.089 38.000 0.062 0.000 1.423 248 I HN 0.365 nan 8.210 nan 0.000 0.493 249 L N 8.587 129.842 121.223 0.054 0.000 2.401 249 L HA 0.511 4.851 4.340 0.000 0.000 0.266 249 L C -2.397 174.483 176.870 0.016 0.000 0.991 249 L CA -1.859 52.997 54.840 0.028 0.000 0.818 249 L CB 2.483 44.569 42.059 0.045 0.000 1.321 249 L HN 0.353 nan 8.230 nan 0.000 0.413 250 P HA 0.172 nan 4.420 nan 0.000 0.273 250 P C 0.646 177.941 177.300 -0.008 0.000 1.428 250 P CA -0.245 62.849 63.100 -0.009 0.000 0.995 250 P CB 0.670 32.358 31.700 -0.021 0.000 1.286 251 L N 2.615 123.837 121.223 -0.001 0.000 2.131 251 L HA -0.155 4.185 4.340 0.000 0.000 0.210 251 L C 2.364 179.226 176.870 -0.012 0.000 1.092 251 L CA 1.286 56.128 54.840 0.002 0.000 0.759 251 L CB -0.511 41.553 42.059 0.008 0.000 0.903 251 L HN 0.280 nan 8.230 nan 0.000 0.435 252 I N -0.429 120.122 120.570 -0.031 0.000 2.233 252 I HA -0.231 3.939 4.170 0.000 0.000 0.243 252 I C 2.109 178.180 176.117 -0.077 0.000 1.093 252 I CA 1.004 62.271 61.300 -0.055 0.000 1.380 252 I CB -0.417 37.539 38.000 -0.073 0.000 1.067 252 I HN 0.200 nan 8.210 nan 0.000 0.413 253 D N 1.338 121.691 120.400 -0.078 0.000 2.106 253 D HA -0.177 4.463 4.640 0.000 0.000 0.191 253 D C 2.193 178.468 176.300 -0.042 0.000 0.997 253 D CA 1.477 55.425 54.000 -0.087 0.000 0.834 253 D CB -0.397 40.367 40.800 -0.060 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.408 121.626 121.223 -0.009 0.000 2.465 254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 254 L C 1.709 178.602 176.870 0.038 0.000 1.145 254 L CA 0.736 55.592 54.840 0.027 0.000 0.834 254 L CB -0.242 41.837 42.059 0.033 0.000 0.944 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.014 112.692 115.700 0.010 0.000 2.568 255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 255 S C 0.565 175.161 174.600 -0.007 0.000 0.975 255 S CA -0.536 57.672 58.200 0.013 0.000 0.949 255 S CB 0.079 63.283 63.200 0.008 0.000 0.829 255 S HN 0.111 nan 8.310 nan 0.000 0.479 256 T N 2.745 117.283 114.554 -0.026 0.000 2.855 256 T HA 0.602 4.952 4.350 0.000 0.000 0.281 256 T C -0.608 174.086 174.700 -0.010 0.000 1.007 256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 256 T CB 1.407 70.170 68.868 -0.175 0.000 0.983 256 T HN 0.240 nan 8.240 nan 0.000 0.455 257 L N 2.952 124.169 121.223 -0.009 0.000 2.295 257 L HA 0.505 4.845 4.340 0.000 0.000 0.285 257 L C -1.027 175.931 176.870 0.147 0.000 1.035 257 L CA -1.130 53.686 54.840 -0.040 0.000 0.806 257 L CB 0.873 42.789 42.059 -0.239 0.000 1.214 257 L HN 0.628 nan 8.230 nan 0.000 0.426 258 Y N 4.078 124.432 120.300 0.090 0.000 2.388 258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 258 Y C -0.927 174.928 175.900 -0.076 0.000 0.963 258 Y CA -1.136 57.066 58.100 0.168 0.000 1.240 258 Y CB 0.654 39.345 38.460 0.386 0.000 1.118 258 Y HN 0.530 nan 8.280 nan 0.000 0.484 259 N N 5.865 124.120 118.700 -0.743 0.000 2.312 259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 259 N C -1.520 173.474 175.510 -0.859 0.000 1.193 259 N CA -0.660 51.894 53.050 -0.827 0.000 0.773 259 N CB 2.368 40.362 38.487 -0.822 0.000 1.435 259 N HN 0.568 nan 8.380 nan 0.000 0.484 260 L N 0.494 121.422 121.223 -0.491 0.000 2.346 260 L HA 0.584 4.924 4.340 0.000 0.000 0.276 260 L C 0.018 176.884 176.870 -0.006 0.000 1.006 260 L CA -0.546 54.181 54.840 -0.188 0.000 0.817 260 L CB 1.714 43.649 42.059 -0.206 0.000 1.272 260 L HN 0.379 nan 8.230 nan 0.000 0.421 261 E N 2.080 122.413 120.200 0.222 0.000 2.390 261 E HA 0.343 4.693 4.350 0.000 0.000 0.277 261 E C -1.507 175.193 176.600 0.167 0.000 0.939 261 E CA -0.820 55.712 56.400 0.220 0.000 0.769 261 E CB 3.089 33.002 29.700 0.356 0.000 1.251 261 E HN 0.669 nan 8.360 nan 0.000 0.450 262 N N -0.007 118.727 118.700 0.056 0.000 2.453 262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 262 N C -1.086 174.462 175.510 0.064 0.000 1.250 262 N CA -0.610 52.401 53.050 -0.064 0.000 0.815 262 N CB 1.853 40.203 38.487 -0.228 0.000 1.381 262 N HN 0.472 nan 8.380 nan 0.000 0.510 263 S N -1.986 113.753 115.700 0.064 0.000 2.615 263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 263 S C -1.654 173.013 174.600 0.112 0.000 1.161 263 S CA -0.901 57.368 58.200 0.116 0.000 0.817 263 S CB 1.100 64.410 63.200 0.183 0.000 1.131 263 S HN 1.091 nan 8.310 nan 0.000 0.467 264 A N 0.867 123.761 122.820 0.123 0.000 2.414 264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 264 A C -1.155 176.516 177.584 0.146 0.000 1.054 264 A CA -0.683 51.438 52.037 0.140 0.000 0.724 264 A CB 1.606 20.688 19.000 0.138 0.000 1.267 264 A HN 0.689 nan 8.150 nan 0.000 0.418 265 Q N 0.095 120.006 119.800 0.185 0.000 2.372 265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 265 Q C -0.700 175.470 176.000 0.282 0.000 1.078 265 Q CA -0.598 55.361 55.803 0.260 0.000 0.806 265 Q CB 2.518 31.458 28.738 0.336 0.000 1.332 265 Q HN 1.084 nan 8.270 nan 0.000 0.435 266 A N -0.440 122.552 122.820 0.287 0.000 2.486 266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 266 A C 0.210 177.911 177.584 0.195 0.000 1.176 266 A CA -0.136 51.971 52.037 0.116 0.000 0.757 266 A CB 1.610 20.650 19.000 0.065 0.000 1.337 266 A HN 1.004 nan 8.150 nan 0.000 0.423 267 G N -0.922 107.877 108.800 -0.002 0.000 2.155 267 G HA2 0.013 3.973 3.960 0.000 0.000 0.135 267 G HA3 0.013 3.973 3.960 0.000 0.000 0.135 267 G C -0.396 174.487 174.900 -0.029 0.000 1.023 267 G CA -0.078 45.080 45.100 0.096 0.000 0.688 267 G HN 0.781 nan 8.290 nan 0.000 0.499 268 L N 1.385 122.367 121.223 -0.403 0.000 2.397 268 L HA 0.682 5.022 4.340 0.000 0.000 0.271 268 L C 0.584 177.356 176.870 -0.163 0.000 1.148 268 L CA 0.298 54.865 54.840 -0.456 0.000 0.825 268 L CB 1.442 43.107 42.059 -0.657 0.000 1.117 268 L HN 0.162 nan 8.230 nan 0.000 0.456 269 T N 2.409 116.903 114.554 -0.099 0.000 2.916 269 T HA 0.371 4.721 4.350 0.000 0.000 0.298 269 T C -2.635 172.030 174.700 -0.058 0.000 1.031 269 T CA -1.389 60.680 62.100 -0.052 0.000 0.993 269 T CB 1.919 70.778 68.868 -0.015 0.000 1.045 269 T HN 0.214 nan 8.240 nan 0.000 0.454 270 P HA 0.054 nan 4.420 nan 0.000 0.261 270 P C 0.363 177.634 177.300 -0.048 0.000 1.173 270 P CA 0.440 63.513 63.100 -0.044 0.000 0.760 270 P CB 0.146 31.830 31.700 -0.027 0.000 0.783 271 N N -0.896 117.762 118.700 -0.070 0.000 2.753 271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 271 N C -0.609 174.866 175.510 -0.059 0.000 1.097 271 N CA 0.756 53.766 53.050 -0.066 0.000 0.786 271 N CB -1.648 36.822 38.487 -0.028 0.000 1.137 271 N HN 0.186 nan 8.380 nan 0.000 0.566 272 V N 0.917 120.791 119.914 -0.066 0.000 2.555 272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 272 V C 0.089 176.154 176.094 -0.049 0.000 1.038 272 V CA -0.848 61.431 62.300 -0.035 0.000 0.887 272 V CB 2.163 33.983 31.823 -0.005 0.000 0.991 272 V HN -0.053 nan 8.190 nan 0.000 0.434 273 D N 3.314 123.696 120.400 -0.030 0.000 2.434 273 D HA 0.126 4.766 4.640 0.000 0.000 0.252 273 D C -0.571 175.745 176.300 0.027 0.000 1.185 273 D CA 0.495 54.475 54.000 -0.034 0.000 0.886 273 D CB 0.417 41.220 40.800 0.005 0.000 1.148 273 D HN 0.342 nan 8.370 nan 0.000 0.483 274 F N 3.598 123.455 119.950 -0.154 0.000 2.385 274 F HA 0.326 4.853 4.527 0.000 0.000 0.360 274 F C -0.718 175.027 175.800 -0.092 0.000 1.122 274 F CA -0.805 57.121 58.000 -0.123 0.000 1.090 274 F CB 0.808 39.707 39.000 -0.168 0.000 1.150 274 F HN -0.000 nan 8.300 nan 0.000 0.472 275 V N 6.966 126.612 119.914 -0.447 0.000 2.384 275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 275 V C -0.567 175.277 176.094 -0.416 0.000 1.020 275 V CA -0.893 61.220 62.300 -0.313 0.000 0.850 275 V CB 1.416 33.134 31.823 -0.175 0.000 0.987 275 V HN 0.492 nan 8.190 nan 0.000 0.436 276 V N 5.463 125.231 119.914 -0.244 0.000 2.328 276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 276 V C 0.227 176.190 176.094 -0.219 0.000 1.021 276 V CA -0.591 61.578 62.300 -0.219 0.000 0.838 276 V CB 1.085 32.845 31.823 -0.106 0.000 0.999 276 V HN 0.926 nan 8.190 nan 0.000 0.447 277 Q N 3.218 122.900 119.800 -0.196 0.000 2.352 277 Q HA 0.343 4.683 4.340 0.000 0.000 0.260 277 Q C -1.145 174.612 176.000 -0.404 0.000 0.976 277 Q CA -0.017 55.660 55.803 -0.212 0.000 0.881 277 Q CB 0.976 29.647 28.738 -0.112 0.000 1.235 277 Q HN 0.655 nan 8.270 nan 0.000 0.419 278 Y N 0.206 120.256 120.300 -0.416 0.000 2.320 278 Y HA 0.404 4.954 4.550 0.000 0.000 0.324 278 Y C 0.480 175.940 175.900 -0.732 0.000 1.190 278 Y CA -0.568 57.153 58.100 -0.632 0.000 1.215 278 Y CB 1.085 39.136 38.460 -0.682 0.000 1.221 278 Y HN 0.669 nan 8.280 nan 0.000 0.486 279 A N 2.421 124.972 122.820 -0.449 0.000 2.272 279 A HA 0.398 4.718 4.320 0.000 0.000 0.275 279 A C -0.251 177.132 177.584 -0.335 0.000 1.096 279 A CA -0.727 50.877 52.037 -0.721 0.000 0.822 279 A CB 0.056 18.820 19.000 -0.393 0.000 1.088 279 A HN 0.877 nan 8.150 nan 0.000 0.495 280 N N -1.422 117.113 118.700 -0.274 0.000 2.447 280 N HA 0.478 5.218 4.740 0.000 0.000 0.271 280 N C 0.206 175.613 175.510 -0.172 0.000 1.226 280 N CA -0.021 52.918 53.050 -0.185 0.000 0.980 280 N CB 1.022 39.432 38.487 -0.129 0.000 1.206 280 N HN 1.418 nan 8.380 nan 0.000 0.558 281 L N -3.372 117.799 121.223 -0.087 0.000 3.121 281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 281 L C -1.048 176.104 176.870 0.469 0.000 0.695 281 L CA 1.600 56.547 54.840 0.178 0.000 3.096 281 L CB -1.770 40.335 42.059 0.076 0.000 0.683 281 L HN 0.745 nan 8.230 nan 0.000 0.743 282 Y N 1.900 122.214 120.300 0.023 0.000 2.309 282 Y HA 0.480 5.030 4.550 0.000 0.000 0.327 282 Y C 0.805 176.712 175.900 0.012 0.000 1.172 282 Y CA -0.924 57.052 58.100 -0.206 0.000 1.280 282 Y CB 0.502 38.363 38.460 -0.998 0.000 1.234 282 Y HN 0.069 nan 8.280 nan 0.000 0.512 283 R N 3.864 124.461 120.500 0.162 0.000 2.280 283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 283 R C -1.693 174.670 176.300 0.104 0.000 1.080 283 R CA -0.641 55.552 56.100 0.155 0.000 1.002 283 R CB 0.263 30.590 30.300 0.044 0.000 1.136 283 R HN 0.578 nan 8.270 nan 0.000 0.509 284 Y N 2.951 123.356 120.300 0.174 0.000 2.531 284 Y HA 0.032 4.582 4.550 0.000 0.000 0.347 284 Y C 1.562 177.522 175.900 0.100 0.000 1.024 284 Y CA -0.187 58.029 58.100 0.194 0.000 1.306 284 Y CB 0.604 39.189 38.460 0.209 0.000 1.149 284 Y HN 0.439 nan 8.280 nan 0.000 0.527 285 L N 1.911 123.254 121.223 0.199 0.000 2.162 285 L HA 0.029 4.369 4.340 0.000 0.000 0.205 285 L C 0.767 177.747 176.870 0.184 0.000 1.086 285 L CA 0.625 55.524 54.840 0.098 0.000 0.778 285 L CB -0.127 41.912 42.059 -0.034 0.000 0.928 285 L HN 0.624 nan 8.230 nan 0.000 0.446 286 S N -1.967 113.903 115.700 0.283 0.000 2.570 286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 286 S C -0.615 174.172 174.600 0.313 0.000 1.149 286 S CA -0.685 57.654 58.200 0.231 0.000 0.837 286 S CB 2.379 65.767 63.200 0.313 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.977 116.627 114.554 0.159 0.000 2.881 287 T HA 0.612 4.962 4.350 0.000 0.000 0.290 287 T C -0.933 173.738 174.700 -0.048 0.000 1.000 287 T CA -0.420 61.721 62.100 0.069 0.000 0.978 287 T CB 0.882 69.830 68.868 0.134 0.000 0.997 287 T HN 0.660 nan 8.240 nan 0.000 0.443 288 I N 2.278 122.751 120.570 -0.162 0.000 2.465 288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 288 I C -0.377 175.598 176.117 -0.236 0.000 1.014 288 I CA -0.978 60.281 61.300 -0.067 0.000 1.093 288 I CB 1.751 39.815 38.000 0.107 0.000 1.267 288 I HN 0.727 nan 8.210 nan 0.000 0.431 289 A N 6.364 129.108 122.820 -0.127 0.000 2.335 289 A HA 0.746 5.066 4.320 0.000 0.000 0.304 289 A C -1.100 176.590 177.584 0.177 0.000 1.118 289 A CA -0.472 51.507 52.037 -0.096 0.000 0.757 289 A CB 1.382 20.215 19.000 -0.278 0.000 1.188 289 A HN 0.394 nan 8.150 nan 0.000 0.460 290 V N 3.309 123.355 119.914 0.220 0.000 2.370 290 V HA 0.318 4.438 4.120 0.000 0.000 0.283 290 V C -0.664 175.648 176.094 0.363 0.000 1.023 290 V CA -0.388 62.088 62.300 0.293 0.000 0.857 290 V CB 1.205 33.168 31.823 0.233 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.322 125.390 119.950 0.198 0.000 2.406 291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 291 F C 0.436 176.141 175.800 -0.159 0.000 1.161 291 F CA -1.856 56.173 58.000 0.048 0.000 1.185 291 F CB 0.186 39.233 39.000 0.078 0.000 1.421 291 F HN 0.607 nan 8.300 nan 0.000 0.576 292 D N 4.137 124.537 120.400 0.000 0.000 2.435 292 D HA -0.026 4.614 4.640 0.000 0.000 0.230 292 D C -0.067 175.909 176.300 -0.541 0.000 1.215 292 D CA 0.089 53.774 54.000 -0.526 0.000 0.947 292 D CB -0.312 40.428 40.800 -0.099 0.000 1.048 292 D HN 0.257 nan 8.370 nan 0.000 0.512 293 N N 2.866 120.993 118.700 -0.956 0.000 3.178 293 N HA 0.197 4.937 4.740 0.000 0.000 0.300 293 N C 0.740 175.954 175.510 -0.492 0.000 1.242 293 N CA 0.455 52.996 53.050 -0.848 0.000 1.192 293 N CB -0.466 37.325 38.487 -1.160 0.000 1.463 293 N HN 0.617 nan 8.380 nan 0.000 0.539 294 G N 0.782 109.390 108.800 -0.320 0.000 2.295 294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 294 G C 0.966 175.741 174.900 -0.207 0.000 1.055 294 G CA 0.513 45.491 45.100 -0.203 0.000 0.922 294 G HN 1.084 nan 8.290 nan 0.000 0.503 295 G N -2.336 106.298 108.800 -0.277 0.000 2.195 295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 295 G C 0.460 175.238 174.900 -0.203 0.000 0.984 295 G CA 0.682 45.688 45.100 -0.157 0.000 0.633 295 G HN 1.751 nan 8.290 nan 0.000 0.525 296 S N 0.116 115.564 115.700 -0.420 0.000 2.489 296 S HA 0.770 5.240 4.470 0.000 0.000 0.291 296 S C -0.823 173.386 174.600 -0.652 0.000 1.151 296 S CA -0.338 57.664 58.200 -0.330 0.000 1.082 296 S CB 0.930 63.970 63.200 -0.266 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.917 122.765 119.950 -0.169 0.000 2.445 297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 297 F C 0.470 176.211 175.800 -0.099 0.000 1.125 297 F CA -0.854 57.055 58.000 -0.152 0.000 0.983 297 F CB 1.169 40.081 39.000 -0.146 0.000 1.198 297 F HN 0.390 nan 8.300 nan 0.000 0.436 298 N N 1.419 120.119 118.700 0.000 0.000 2.430 298 N HA 0.514 5.254 4.740 0.000 0.000 0.298 298 N C -0.487 175.091 175.510 0.115 0.000 1.130 298 N CA -0.707 52.364 53.050 0.035 0.000 0.894 298 N CB 2.197 40.670 38.487 -0.023 0.000 1.209 298 N HN 0.563 nan 8.380 nan 0.000 0.503 299 A N 0.522 123.406 122.820 0.107 0.000 3.037 299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 299 A C 1.330 179.025 177.584 0.185 0.000 1.723 299 A CA 0.281 52.399 52.037 0.135 0.000 1.413 299 A CB -1.394 17.664 19.000 0.097 0.000 1.112 299 A HN 0.906 nan 8.150 nan 0.000 0.606 300 G N 1.127 110.100 108.800 0.289 0.000 2.257 300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 300 G C 1.280 176.268 174.900 0.147 0.000 0.984 300 G CA 1.606 46.869 45.100 0.271 0.000 0.626 300 G HN 1.497 nan 8.290 nan 0.000 0.540 301 T N -0.729 113.892 114.554 0.111 0.000 3.007 301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 301 T C 1.507 176.238 174.700 0.053 0.000 1.107 301 T CA 1.798 63.939 62.100 0.068 0.000 1.118 301 T CB -0.198 68.698 68.868 0.047 0.000 0.889 301 T HN 0.606 nan 8.240 nan 0.000 0.506 302 D N 0.411 120.853 120.400 0.071 0.000 2.368 302 D HA 0.228 4.868 4.640 0.000 0.000 0.218 302 D C 0.217 176.601 176.300 0.141 0.000 1.112 302 D CA -0.467 53.582 54.000 0.082 0.000 0.834 302 D CB -0.274 40.536 40.800 0.017 0.000 0.953 302 D HN 0.471 nan 8.370 nan 0.000 0.505 303 I N 0.423 121.032 120.570 0.066 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.642 176.711 176.117 -0.081 0.000 1.040 303 I CA -0.882 60.385 61.300 -0.056 0.000 1.068 303 I CB 2.126 40.028 38.000 -0.163 0.000 1.251 303 I HN -0.270 nan 8.210 nan 0.000 0.424 304 N N 3.683 122.287 118.700 -0.160 0.000 2.197 304 N HA 0.014 4.754 4.740 0.000 0.000 0.184 304 N C -0.595 174.921 175.510 0.010 0.000 1.030 304 N CA 1.367 54.367 53.050 -0.085 0.000 0.851 304 N CB 0.289 38.683 38.487 -0.155 0.000 1.003 304 N HN 0.632 nan 8.380 nan 0.000 0.430 305 Y N -1.934 118.286 120.300 -0.133 0.000 2.741 305 Y HA 0.629 5.179 4.550 0.000 0.000 0.339 305 Y C -1.787 173.934 175.900 -0.299 0.000 1.226 305 Y CA -1.429 56.574 58.100 -0.161 0.000 1.072 305 Y CB 0.473 38.881 38.460 -0.086 0.000 1.331 305 Y HN -0.277 nan 8.280 nan 0.000 0.453 306 L N 1.697 122.839 121.223 -0.135 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.092 176.641 176.870 -0.228 0.000 1.014 306 L CA -0.543 53.973 54.840 -0.540 0.000 0.820 306 L CB 2.202 43.429 42.059 -1.387 0.000 1.352 306 L HN 0.901 nan 8.230 nan 0.000 0.421 307 S N -0.171 115.310 115.700 -0.365 0.000 2.636 307 S HA 0.576 5.046 4.470 0.000 0.000 0.266 307 S C -2.099 172.401 174.600 -0.167 0.000 1.147 307 S CA -0.629 57.556 58.200 -0.025 0.000 0.815 307 S CB 1.538 64.760 63.200 0.037 0.000 1.119 307 S HN 0.577 nan 8.310 nan 0.000 0.470 308 Q N 1.124 120.941 119.800 0.029 0.000 2.321 308 Q HA 0.540 4.880 4.340 0.000 0.000 0.270 308 Q C -1.029 175.006 176.000 0.057 0.000 1.032 308 Q CA -0.595 55.250 55.803 0.070 0.000 0.784 308 Q CB 2.352 31.181 28.738 0.152 0.000 1.264 308 Q HN 0.557 nan 8.270 nan 0.000 0.448 309 R N 1.007 121.546 120.500 0.065 0.000 2.686 309 R HA 0.416 4.756 4.340 0.000 0.000 0.283 309 R C -0.783 175.559 176.300 0.070 0.000 0.978 309 R CA -0.418 55.718 56.100 0.061 0.000 0.897 309 R CB 1.605 31.936 30.300 0.051 0.000 1.192 309 R HN 0.725 nan 8.270 nan 0.000 0.457 310 T N 1.258 115.857 114.554 0.075 0.000 2.888 310 T HA 0.339 4.689 4.350 0.000 0.000 0.301 310 T C 0.634 175.429 174.700 0.157 0.000 1.001 310 T CA -0.450 61.704 62.100 0.091 0.000 1.147 310 T CB 1.121 70.024 68.868 0.059 0.000 0.931 310 T HN 0.666 nan 8.240 nan 0.000 0.541 311 A N 3.708 126.604 122.820 0.126 0.000 2.567 311 A HA 0.309 4.629 4.320 0.000 0.000 0.240 311 A C 1.237 178.915 177.584 0.158 0.000 1.053 311 A CA -0.202 51.898 52.037 0.106 0.000 0.755 311 A CB -0.793 18.249 19.000 0.070 0.000 0.978 311 A HN 1.047 nan 8.150 nan 0.000 0.507 312 N N -0.595 118.125 118.700 0.033 0.000 2.900 312 N HA -0.202 4.538 4.740 0.000 0.000 0.240 312 N C -0.328 174.973 175.510 -0.349 0.000 0.953 312 N CA 2.280 55.238 53.050 -0.153 0.000 0.950 312 N CB -1.544 36.812 38.487 -0.218 0.000 1.102 312 N HN 0.636 nan 8.380 nan 0.000 0.593 313 F N -0.088 119.856 119.950 -0.010 0.000 2.841 313 F HA 0.386 4.913 4.527 0.000 0.000 0.358 313 F C 1.508 177.300 175.800 -0.014 0.000 1.261 313 F CA 0.286 58.278 58.000 -0.012 0.000 1.233 313 F CB 0.431 39.424 39.000 -0.012 0.000 1.008 313 F HN 0.008 nan 8.300 nan 0.000 0.507 314 S N 1.032 116.813 115.700 0.136 0.000 4.135 314 S HA -0.357 4.113 4.470 0.000 0.000 0.538 314 S C -0.202 174.443 174.600 0.074 0.000 1.060 314 S CA 2.572 60.817 58.200 0.074 0.000 3.492 314 S CB -0.860 62.358 63.200 0.031 0.000 2.226 314 S HN 0.570 nan 8.310 nan 0.000 0.457 315 D N -1.698 118.734 120.400 0.052 0.000 2.837 315 D HA 0.495 5.135 4.640 0.000 0.000 0.220 315 D C 0.335 176.645 176.300 0.017 0.000 1.236 315 D CA 0.164 54.180 54.000 0.027 0.000 0.838 315 D CB 1.597 42.395 40.800 -0.004 0.000 1.647 315 D HN 0.389 nan 8.370 nan 0.000 0.486 316 T N -1.784 112.781 114.554 0.019 0.000 3.044 316 T HA 0.090 4.440 4.350 0.000 0.000 0.250 316 T C 0.619 175.324 174.700 0.009 0.000 1.081 316 T CA -0.159 61.945 62.100 0.007 0.000 1.040 316 T CB -0.041 68.827 68.868 0.001 0.000 0.962 316 T HN 0.586 nan 8.240 nan 0.000 0.506 317 R N 0.285 120.804 120.500 0.032 0.000 2.747 317 R HA 0.305 4.645 4.340 0.000 0.000 0.200 317 R C -0.947 175.430 176.300 0.128 0.000 1.438 317 R CA -0.653 55.477 56.100 0.051 0.000 1.334 317 R CB -0.333 29.972 30.300 0.008 0.000 1.523 317 R HN 0.084 nan 8.270 nan 0.000 0.741 318 K N 3.007 123.438 120.400 0.052 0.000 2.310 318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 318 K C -0.966 175.660 176.600 0.044 0.000 1.077 318 K CA -0.176 56.116 56.287 0.009 0.000 0.922 318 K CB 0.520 32.916 32.500 -0.174 0.000 1.057 318 K HN 0.452 nan 8.250 nan 0.000 0.479 319 L N 3.321 124.657 121.223 0.188 0.000 2.371 319 L HA 0.340 4.680 4.340 0.000 0.000 0.262 319 L C -0.422 176.584 176.870 0.226 0.000 1.006 319 L CA -1.368 53.601 54.840 0.215 0.000 0.818 319 L CB 2.049 44.309 42.059 0.335 0.000 1.354 319 L HN 0.745 nan 8.230 nan 0.000 0.415 320 D N 0.509 121.015 120.400 0.176 0.000 2.368 320 D HA 0.136 4.776 4.640 0.000 0.000 0.240 320 D C -2.112 174.303 176.300 0.191 0.000 1.169 320 D CA -1.153 52.944 54.000 0.161 0.000 0.906 320 D CB 0.619 41.493 40.800 0.124 0.000 1.187 320 D HN 0.194 nan 8.370 nan 0.000 0.435 321 P HA -0.199 nan 4.420 nan 0.000 0.216 321 P C 1.002 178.475 177.300 0.288 0.000 1.153 321 P CA 1.531 64.736 63.100 0.176 0.000 0.858 321 P CB 0.110 31.882 31.700 0.120 0.000 0.789 322 K N -1.202 119.328 120.400 0.217 0.000 2.097 322 K HA -0.053 4.267 4.320 0.000 0.000 0.205 322 K C 1.951 178.676 176.600 0.210 0.000 1.050 322 K CA 1.595 58.003 56.287 0.202 0.000 0.938 322 K CB -0.698 31.886 32.500 0.140 0.000 0.718 322 K HN 0.156 nan 8.250 nan 0.000 0.442 323 T N 0.516 115.191 114.554 0.202 0.000 2.904 323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 323 T C 1.177 176.012 174.700 0.225 0.000 1.059 323 T CA 0.644 62.848 62.100 0.174 0.000 1.137 323 T CB -0.131 68.820 68.868 0.138 0.000 0.879 323 T HN 0.430 nan 8.240 nan 0.000 0.467 324 W N 2.149 123.521 121.300 0.120 0.000 2.381 324 W HA -0.059 4.601 4.660 0.000 0.000 0.301 324 W C 2.441 179.080 176.519 0.200 0.000 1.205 324 W CA 1.212 58.649 57.345 0.153 0.000 1.285 324 W CB -0.559 29.000 29.460 0.165 0.000 1.133 324 W HN 0.288 nan 8.180 nan 0.000 0.521 325 A N 0.878 123.993 122.820 0.491 0.000 1.972 325 A HA -0.055 4.265 4.320 0.000 0.000 0.219 325 A C 2.178 179.883 177.584 0.203 0.000 1.169 325 A CA 2.451 54.710 52.037 0.371 0.000 0.635 325 A CB -1.191 18.002 19.000 0.320 0.000 0.810 325 A HN 0.285 nan 8.150 nan 0.000 0.446 326 A N -0.724 122.189 122.820 0.154 0.000 1.902 326 A HA -0.196 4.124 4.320 0.000 0.000 0.217 326 A C 2.095 179.712 177.584 0.054 0.000 1.181 326 A CA 1.695 53.786 52.037 0.090 0.000 0.623 326 A CB -0.464 18.581 19.000 0.075 0.000 0.818 326 A HN 0.509 nan 8.150 nan 0.000 0.443 327 Q N -0.443 119.366 119.800 0.016 0.000 2.124 327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 327 Q C 2.116 178.133 176.000 0.029 0.000 0.977 327 Q CA 2.013 57.795 55.803 -0.034 0.000 0.850 327 Q CB -1.327 27.305 28.738 -0.176 0.000 0.901 327 Q HN 0.637 nan 8.270 nan 0.000 0.429 328 T N 1.244 115.852 114.554 0.091 0.000 2.821 328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 328 T C 1.818 176.582 174.700 0.106 0.000 1.046 328 T CA 0.822 63.049 62.100 0.212 0.000 1.139 328 T CB -0.062 69.027 68.868 0.369 0.000 0.871 328 T HN 0.268 nan 8.240 nan 0.000 0.454 329 R N 0.723 121.265 120.500 0.070 0.000 2.159 329 R HA 0.016 4.356 4.340 0.000 0.000 0.237 329 R C 2.445 178.750 176.300 0.007 0.000 1.131 329 R CA 0.792 56.903 56.100 0.019 0.000 0.982 329 R CB -0.083 30.233 30.300 0.027 0.000 0.868 329 R HN 0.242 nan 8.270 nan 0.000 0.453 330 R N 0.150 120.665 120.500 0.025 0.000 2.235 330 R HA 0.016 4.356 4.340 0.000 0.000 0.213 330 R C 1.850 178.164 176.300 0.024 0.000 1.059 330 R CA 0.696 56.807 56.100 0.018 0.000 0.997 330 R CB 0.032 30.344 30.300 0.020 0.000 0.884 330 R HN 0.169 nan 8.270 nan 0.000 0.462 331 R N 0.452 120.980 120.500 0.045 0.000 2.146 331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 331 R C 2.030 178.313 176.300 -0.027 0.000 1.049 331 R CA 0.772 56.906 56.100 0.057 0.000 1.029 331 R CB 0.030 30.444 30.300 0.189 0.000 0.949 331 R HN 0.314 nan 8.270 nan 0.000 0.471 332 I N -3.941 116.573 120.570 -0.094 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.483 176.506 176.117 -0.158 0.000 1.473 332 I CA 0.096 61.285 61.300 -0.184 0.000 1.124 332 I CB 0.889 38.646 38.000 -0.405 0.000 1.129 332 I HN -0.037 nan 8.210 nan 0.000 0.428 333 A N 0.256 123.018 122.820 -0.098 0.000 2.861 333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 333 A C 0.644 178.178 177.584 -0.083 0.000 1.351 333 A CA 1.688 53.680 52.037 -0.075 0.000 0.904 333 A CB -2.305 16.654 19.000 -0.069 0.000 1.076 333 A HN 0.815 nan 8.150 nan 0.000 0.729 334 T N -1.870 112.616 114.554 -0.113 0.000 2.654 334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 334 T C -2.140 172.481 174.700 -0.132 0.000 1.656 334 T CA 0.132 62.169 62.100 -0.105 0.000 0.971 334 T CB 0.930 69.727 68.868 -0.118 0.000 1.811 334 T HN 0.282 nan 8.240 nan 0.000 0.483 335 D N 0.608 120.950 120.400 -0.096 0.000 2.181 335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 335 D C -0.252 175.965 176.300 -0.139 0.000 1.020 335 D CA -0.112 53.854 54.000 -0.057 0.000 0.891 335 D CB 0.812 41.627 40.800 0.024 0.000 1.187 335 D HN 0.330 nan 8.370 nan 0.000 0.443 336 F N 0.633 120.516 119.950 -0.112 0.000 2.399 336 F HA 0.219 4.746 4.527 0.000 0.000 0.313 336 F C -1.330 174.363 175.800 -0.179 0.000 1.202 336 F CA -1.260 56.596 58.000 -0.240 0.000 1.192 336 F CB 0.034 38.787 39.000 -0.411 0.000 1.256 336 F HN 0.079 nan 8.300 nan 0.000 0.558 337 P HA -0.005 nan 4.420 nan 0.000 0.270 337 P C -1.198 176.128 177.300 0.043 0.000 1.227 337 P CA -0.266 62.891 63.100 0.095 0.000 0.788 337 P CB 0.325 32.176 31.700 0.251 0.000 0.926 338 K N 1.101 121.536 120.400 0.059 0.000 2.530 338 K HA 0.144 4.464 4.320 0.000 0.000 0.280 338 K C 1.284 177.942 176.600 0.096 0.000 1.004 338 K CA 1.234 57.556 56.287 0.060 0.000 1.071 338 K CB -0.731 31.825 32.500 0.094 0.000 0.876 338 K HN 0.857 nan 8.250 nan 0.000 0.487 339 G N 1.177 109.983 108.800 0.010 0.000 2.179 339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 339 G C 0.019 174.864 174.900 -0.091 0.000 0.977 339 G CA 0.039 45.209 45.100 0.116 0.000 0.641 339 G HN 0.428 nan 8.290 nan 0.000 0.533 340 V N 1.043 120.735 119.914 -0.369 0.000 2.370 340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 340 V C -0.301 175.423 176.094 -0.618 0.000 1.029 340 V CA -0.767 61.320 62.300 -0.355 0.000 0.870 340 V CB 0.821 32.414 31.823 -0.382 0.000 0.984 340 V HN 0.253 nan 8.190 nan 0.000 0.451 341 Y N 4.263 124.608 120.300 0.075 0.000 2.364 341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 341 Y C -0.485 175.601 175.900 0.311 0.000 0.975 341 Y CA -0.772 57.475 58.100 0.246 0.000 1.089 341 Y CB 1.744 40.291 38.460 0.146 0.000 1.192 341 Y HN 0.638 nan 8.280 nan 0.000 0.454 342 Y N 2.437 123.028 120.300 0.485 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.125 175.061 175.900 0.476 0.000 1.021 342 Y CA -1.801 56.485 58.100 0.311 0.000 1.079 342 Y CB 1.700 40.260 38.460 0.166 0.000 1.226 342 Y HN 0.798 nan 8.280 nan 0.000 0.460 343 C N 6.546 125.563 119.300 -0.472 0.000 2.505 343 C HA 0.366 4.826 4.460 0.000 0.000 0.342 343 C C -1.390 173.189 174.990 -0.684 0.000 1.121 343 C CA -0.701 58.099 59.018 -0.364 0.000 1.306 343 C CB -0.023 27.891 27.740 0.291 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.975 124.060 120.400 -0.525 0.000 2.274 344 D HA 0.323 4.963 4.640 0.000 0.000 0.239 344 D C 0.035 176.293 176.300 -0.070 0.000 1.104 344 D CA 0.236 54.104 54.000 -0.220 0.000 0.840 344 D CB 0.792 41.602 40.800 0.016 0.000 1.100 344 D HN 0.709 nan 8.370 nan 0.000 0.477 345 N N 3.440 122.140 118.700 0.000 0.000 2.451 345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 345 N C 1.086 176.618 175.510 0.036 0.000 1.410 345 N CA -0.160 52.901 53.050 0.019 0.000 0.884 345 N CB 0.710 39.216 38.487 0.032 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.484 121.016 120.500 0.052 0.000 2.081 346 R HA -0.045 4.295 4.340 0.000 0.000 0.235 346 R C 0.775 177.087 176.300 0.020 0.000 1.131 346 R CA 1.153 57.281 56.100 0.047 0.000 0.960 346 R CB 0.096 30.460 30.300 0.107 0.000 0.856 346 R HN 0.117 nan 8.270 nan 0.000 0.436 347 D N 0.387 120.802 120.400 0.025 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.184 176.488 176.300 0.007 0.000 0.965 347 D CA 1.253 55.261 54.000 0.014 0.000 0.852 347 D CB 0.239 41.048 40.800 0.015 0.000 0.947 347 D HN 0.117 nan 8.370 nan 0.000 0.494 348 K N 0.823 121.228 120.400 0.009 0.000 2.752 348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 348 K C -2.754 173.857 176.600 0.019 0.000 1.069 348 K CA -1.427 54.866 56.287 0.010 0.000 1.033 348 K CB 2.475 34.978 32.500 0.005 0.000 1.229 348 K HN -0.127 nan 8.250 nan 0.000 0.572 349 P HA -0.028 nan 4.420 nan 0.000 0.266 349 P C -0.095 177.255 177.300 0.082 0.000 1.195 349 P CA -0.193 62.940 63.100 0.056 0.000 0.768 349 P CB 0.461 32.189 31.700 0.047 0.000 0.838 350 I N 3.747 124.357 120.570 0.066 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.047 176.195 176.117 0.208 0.000 1.134 350 I CA 0.413 61.700 61.300 -0.022 0.000 1.410 350 I CB -1.163 36.578 38.000 -0.430 0.000 1.392 350 I HN 0.419 nan 8.210 nan 0.000 0.545 351 Y N 6.155 126.458 120.300 0.004 0.000 2.317 351 Y HA 0.156 4.706 4.550 0.000 0.000 0.329 351 Y C 1.118 177.023 175.900 0.007 0.000 1.101 351 Y CA -0.901 57.227 58.100 0.047 0.000 1.228 351 Y CB 1.358 39.847 38.460 0.048 0.000 1.123 351 Y HN 0.716 nan 8.280 nan 0.000 0.457 352 T N 0.931 115.356 114.554 -0.215 0.000 2.812 352 T HA -0.127 4.223 4.350 0.000 0.000 0.264 352 T C 1.809 176.323 174.700 -0.311 0.000 1.042 352 T CA 1.332 63.298 62.100 -0.222 0.000 1.140 352 T CB -0.195 68.573 68.868 -0.167 0.000 0.870 352 T HN 0.489 nan 8.240 nan 0.000 0.445 353 L N 1.025 122.008 121.223 -0.401 0.000 2.456 353 L HA -0.263 4.077 4.340 0.000 0.000 0.219 353 L C 1.271 178.038 176.870 -0.171 0.000 1.096 353 L CA 1.717 56.365 54.840 -0.321 0.000 0.836 353 L CB -1.531 40.411 42.059 -0.195 0.000 0.897 353 L HN 0.558 nan 8.230 nan 0.000 0.451 354 Q N -1.604 118.121 119.800 -0.126 0.000 2.267 354 Q HA 0.188 4.528 4.340 0.000 0.000 0.255 354 Q C -0.542 175.441 176.000 -0.029 0.000 0.923 354 Q CA -0.678 55.097 55.803 -0.047 0.000 0.925 354 Q CB 0.708 29.432 28.738 -0.023 0.000 1.195 354 Q HN 0.169 nan 8.270 nan 0.000 0.417 355 Y N 1.240 121.492 120.300 -0.080 0.000 2.745 355 Y HA 0.084 4.634 4.550 0.000 0.000 0.335 355 Y C 1.275 177.146 175.900 -0.047 0.000 1.212 355 Y CA 1.863 59.920 58.100 -0.072 0.000 1.535 355 Y CB 0.051 38.464 38.460 -0.079 0.000 1.220 355 Y HN 0.967 nan 8.280 nan 0.000 0.531 356 G N 4.003 112.625 108.800 -0.297 0.000 2.157 356 G HA2 -0.368 3.592 3.960 0.000 0.000 0.248 356 G HA3 -0.368 3.592 3.960 0.000 0.000 0.248 356 G C 0.930 175.810 174.900 -0.033 0.000 0.979 356 G CA 0.392 45.421 45.100 -0.118 0.000 0.650 356 G HN 0.652 nan 8.290 nan 0.000 0.529 357 N N -0.387 118.288 118.700 -0.041 0.000 2.223 357 N HA 0.054 4.794 4.740 0.000 0.000 0.185 357 N C 0.994 176.510 175.510 0.010 0.000 1.016 357 N CA 1.527 54.573 53.050 -0.006 0.000 0.863 357 N CB 0.081 38.555 38.487 -0.022 0.000 0.983 357 N HN 0.489 nan 8.380 nan 0.000 0.429 358 V N -0.531 119.381 119.914 -0.002 0.000 2.628 358 V HA 0.790 4.910 4.120 0.000 0.000 0.306 358 V C 0.524 176.734 176.094 0.194 0.000 1.045 358 V CA -0.851 61.481 62.300 0.054 0.000 0.905 358 V CB 1.590 33.388 31.823 -0.042 0.000 0.997 358 V HN 0.179 nan 8.190 nan 0.000 0.436 359 G N 1.818 110.744 108.800 0.211 0.000 2.619 359 G HA2 0.653 4.613 3.960 0.000 0.000 0.296 359 G HA3 0.653 4.613 3.960 0.000 0.000 0.296 359 G C -1.874 173.181 174.900 0.258 0.000 1.334 359 G CA -0.614 44.597 45.100 0.184 0.000 0.934 359 G HN 0.477 nan 8.290 nan 0.000 0.476 360 F N 1.845 121.798 119.950 0.006 0.000 2.410 360 F HA 0.636 5.163 4.527 0.000 0.000 0.349 360 F C -0.218 175.562 175.800 -0.033 0.000 1.117 360 F CA -0.507 57.523 58.000 0.050 0.000 1.104 360 F CB 1.645 40.613 39.000 -0.054 0.000 1.122 360 F HN 0.271 nan 8.300 nan 0.000 0.483 361 V N 6.545 126.156 119.914 -0.506 0.000 2.513 361 V HA 0.587 4.707 4.120 0.000 0.000 0.299 361 V C -0.812 175.034 176.094 -0.413 0.000 1.035 361 V CA -0.871 61.246 62.300 -0.305 0.000 0.889 361 V CB 1.611 33.346 31.823 -0.148 0.000 0.988 361 V HN 0.561 nan 8.190 nan 0.000 0.440 362 V N 3.931 123.712 119.914 -0.223 0.000 2.482 362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 362 V C -0.382 175.498 176.094 -0.355 0.000 1.026 362 V CA -0.632 61.469 62.300 -0.330 0.000 0.856 362 V CB 1.938 33.594 31.823 -0.279 0.000 1.001 362 V HN 0.896 nan 8.190 nan 0.000 0.424 363 N N 7.086 125.430 118.700 -0.593 0.000 2.546 363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 363 N C -2.726 172.491 175.510 -0.487 0.000 0.984 363 N CA -1.617 51.068 53.050 -0.609 0.000 0.935 363 N CB 2.495 40.303 38.487 -1.132 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.143 nan 4.420 nan 0.000 0.279 364 P C 0.198 177.426 177.300 -0.119 0.000 1.239 364 P CA -0.196 62.767 63.100 -0.229 0.000 0.789 364 P CB 2.085 33.643 31.700 -0.236 0.000 0.933 365 K N 1.619 121.993 120.400 -0.042 0.000 2.128 365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 365 K C 0.513 177.112 176.600 -0.002 0.000 1.050 365 K CA 1.032 57.305 56.287 -0.024 0.000 0.966 365 K CB 0.160 32.657 32.500 -0.005 0.000 0.759 365 K HN 0.646 nan 8.250 nan 0.000 0.454 366 T N -1.416 113.158 114.554 0.032 0.000 2.886 366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 366 T C -0.861 173.870 174.700 0.051 0.000 1.012 366 T CA -0.926 61.184 62.100 0.016 0.000 0.982 366 T CB 2.019 70.879 68.868 -0.013 0.000 1.018 366 T HN -0.180 nan 8.240 nan 0.000 0.451 367 V N 4.157 124.083 119.914 0.019 0.000 2.443 367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 367 V C -0.321 175.753 176.094 -0.033 0.000 1.021 367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 367 V CB 1.320 33.151 31.823 0.014 0.000 0.998 367 V HN 0.900 nan 8.190 nan 0.000 0.424 368 N N 2.557 121.209 118.700 -0.080 0.000 2.413 368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 368 N C -0.023 175.444 175.510 -0.073 0.000 1.238 368 N CA -0.654 52.340 53.050 -0.092 0.000 0.972 368 N CB 0.518 38.919 38.487 -0.143 0.000 1.210 368 N HN 0.541 nan 8.380 nan 0.000 0.547 369 Q N 1.222 120.984 119.800 -0.064 0.000 2.337 369 Q HA 0.066 4.406 4.340 0.000 0.000 0.270 369 Q C -0.093 175.875 176.000 -0.054 0.000 1.002 369 Q CA 0.368 56.142 55.803 -0.047 0.000 0.888 369 Q CB 0.095 28.811 28.738 -0.037 0.000 1.222 369 Q HN 0.471 nan 8.270 nan 0.000 0.400 370 N N -1.136 117.541 118.700 -0.038 0.000 2.776 370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 370 N C -0.727 174.757 175.510 -0.044 0.000 1.111 370 N CA 0.990 54.022 53.050 -0.031 0.000 0.711 370 N CB -1.290 37.181 38.487 -0.026 0.000 1.065 370 N HN 0.676 nan 8.380 nan 0.000 0.556 371 A N 0.775 123.568 122.820 -0.045 0.000 2.351 371 A HA 0.702 5.022 4.320 0.000 0.000 0.257 371 A C 0.868 178.449 177.584 -0.006 0.000 1.087 371 A CA 0.181 52.206 52.037 -0.020 0.000 0.798 371 A CB 0.675 19.701 19.000 0.045 0.000 1.033 371 A HN 0.478 nan 8.150 nan 0.000 0.488 372 R N 0.541 121.073 120.500 0.052 0.000 2.709 372 R HA 0.574 4.914 4.340 0.000 0.000 0.270 372 R C -2.144 174.220 176.300 0.106 0.000 1.038 372 R CA -0.926 55.188 56.100 0.025 0.000 0.872 372 R CB 0.782 31.118 30.300 0.059 0.000 1.259 372 R HN 0.452 nan 8.270 nan 0.000 0.473 373 L N 2.527 123.800 121.223 0.083 0.000 2.296 373 L HA 0.485 4.825 4.340 0.000 0.000 0.286 373 L C -0.677 176.297 176.870 0.173 0.000 1.023 373 L CA -1.045 53.878 54.840 0.138 0.000 0.812 373 L CB 1.644 43.787 42.059 0.140 0.000 1.223 373 L HN 0.447 nan 8.230 nan 0.000 0.421 374 L N 4.771 126.123 121.223 0.214 0.000 2.262 374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 374 L C -0.097 176.878 176.870 0.175 0.000 1.035 374 L CA -0.284 54.715 54.840 0.265 0.000 0.820 374 L CB 1.124 43.460 42.059 0.463 0.000 1.204 374 L HN 0.488 nan 8.230 nan 0.000 0.424 375 M N 2.406 122.009 119.600 0.005 0.000 2.367 375 M HA 0.549 5.029 4.480 0.000 0.000 0.339 375 M C 0.379 176.390 176.300 -0.481 0.000 1.177 375 M CA -0.380 54.741 55.300 -0.299 0.000 1.068 375 M CB 1.449 33.827 32.600 -0.369 0.000 1.602 375 M HN 0.564 nan 8.290 nan 0.000 0.457 376 G N 2.448 110.772 108.800 -0.792 0.000 2.687 376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 376 G C -2.035 172.397 174.900 -0.781 0.000 1.416 376 G CA -0.285 44.137 45.100 -1.131 0.000 1.005 376 G HN 0.581 nan 8.290 nan 0.000 0.509 377 Y N 0.193 120.497 120.300 0.006 0.000 2.499 377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 377 Y C 0.283 176.417 175.900 0.391 0.000 0.987 377 Y CA -0.909 57.400 58.100 0.349 0.000 1.044 377 Y CB 2.741 41.529 38.460 0.548 0.000 1.245 377 Y HN 0.420 nan 8.280 nan 0.000 0.461 378 E N 2.370 122.879 120.200 0.515 0.000 2.176 378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 378 E C -1.726 175.017 176.600 0.239 0.000 0.893 378 E CA -0.757 55.786 56.400 0.239 0.000 0.761 378 E CB 1.688 31.562 29.700 0.289 0.000 1.133 378 E HN 0.560 nan 8.360 nan 0.000 0.409 379 Y N 0.854 121.140 120.300 -0.024 0.000 2.670 379 Y HA 0.587 5.137 4.550 0.000 0.000 0.334 379 Y C -1.703 174.132 175.900 -0.108 0.000 1.185 379 Y CA -1.448 56.545 58.100 -0.179 0.000 1.053 379 Y CB 1.017 39.219 38.460 -0.429 0.000 1.298 379 Y HN 0.305 nan 8.280 nan 0.000 0.459 380 F N 0.657 120.705 119.950 0.163 0.000 2.522 380 F HA 0.715 5.242 4.527 0.000 0.000 0.324 380 F C 0.120 175.971 175.800 0.086 0.000 1.077 380 F CA -0.943 57.102 58.000 0.074 0.000 0.944 380 F CB 2.561 41.556 39.000 -0.009 0.000 1.175 380 F HN 0.722 nan 8.300 nan 0.000 0.468 381 T N 1.040 115.739 114.554 0.241 0.000 2.957 381 T HA 0.298 4.648 4.350 0.000 0.000 0.336 381 T C -0.267 174.482 174.700 0.083 0.000 1.462 381 T CA -0.598 61.592 62.100 0.150 0.000 1.073 381 T CB 1.240 70.154 68.868 0.077 0.000 1.319 381 T HN 0.760 nan 8.240 nan 0.000 0.485 382 S N 4.223 119.971 115.700 0.080 0.000 2.229 382 S HA 0.726 5.196 4.470 0.000 0.000 0.221 382 S C 0.278 174.904 174.600 0.044 0.000 1.316 382 S CA -0.416 57.809 58.200 0.041 0.000 1.002 382 S CB 0.228 63.453 63.200 0.043 0.000 0.854 382 S HN 0.886 nan 8.310 nan 0.000 0.451 383 R N -2.659 117.865 120.500 0.040 0.000 2.741 383 R HA 0.361 4.701 4.340 0.000 0.000 0.274 383 R C 0.608 176.931 176.300 0.038 0.000 1.029 383 R CA -0.245 55.879 56.100 0.040 0.000 0.880 383 R CB 0.337 30.654 30.300 0.029 0.000 1.264 383 R HN 0.584 nan 8.270 nan 0.000 0.465 384 T N 0.600 115.177 114.554 0.037 0.000 2.857 384 T HA -0.006 4.344 4.350 0.000 0.000 0.266 384 T C -0.091 174.626 174.700 0.028 0.000 1.048 384 T CA 1.293 63.413 62.100 0.034 0.000 1.139 384 T CB 0.014 68.902 68.868 0.032 0.000 0.874 384 T HN 0.356 nan 8.240 nan 0.000 0.455 385 E N -0.631 119.584 120.200 0.026 0.000 2.423 385 E HA 0.575 4.925 4.350 0.000 0.000 0.280 385 E C -1.999 174.614 176.600 0.022 0.000 1.030 385 E CA -0.814 55.599 56.400 0.022 0.000 0.812 385 E CB 1.898 31.611 29.700 0.022 0.000 1.313 385 E HN -0.096 nan 8.360 nan 0.000 0.456 386 L N 0.996 122.230 121.223 0.019 0.000 2.436 386 L HA 0.553 4.893 4.340 0.000 0.000 0.268 386 L C -1.085 175.797 176.870 0.020 0.000 0.974 386 L CA -0.792 54.059 54.840 0.019 0.000 0.826 386 L CB 1.883 43.950 42.059 0.013 0.000 1.291 386 L HN 0.345 nan 8.230 nan 0.000 0.406 387 V N 3.309 123.237 119.914 0.024 0.000 2.604 387 V HA 0.674 4.794 4.120 0.000 0.000 0.305 387 V C -0.632 175.478 176.094 0.026 0.000 1.043 387 V CA -0.319 61.995 62.300 0.023 0.000 0.888 387 V CB 1.895 33.731 31.823 0.023 0.000 0.995 387 V HN 0.853 nan 8.190 nan 0.000 0.429 388 N N 0.000 118.714 118.700 0.023 0.000 1.763 388 N HA 0.000 4.740 4.740 0.000 0.000 0.220 388 N CA 0.000 53.065 53.050 0.025 0.000 0.885 388 N CB 0.000 38.500 38.487 0.022 0.000 1.341 388 N HN 0.000 nan 8.380 nan 0.000 0.667