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 1po3_1_B DATA FIRST_RESID 97 DATA SEQUENCE VFEHAGARDV IRREDFAKTG ATTMREVLNR IPGVSAPENN GTGSHDLAMN DATA SEQUENCE FGIRGLNPRL ASRSTVLMDG IPVPFAPYGQ PQLSLAPVSL GNMDAIDVVR DATA SEQUENCE GGGAVRYGPQ SVGGVVNFVT RAIPQDFGIE AGVEGQLSPT SSQNNPKETH DATA SEQUENCE NLMVGGTADN GFGTALLYSG TRGSDWREHS ATRIDDLMLK SKYAPDEVHT DATA SEQUENCE FNSLLQYYDG EADMPGGLSR ADYDADRWQS TRPYDRFWGR RKLASLGYQF DATA SEQUENCE QPDSQHKFNI QGFYTQTLRS GYLEQGKRIT LSPRNYWVRG IEPRYSQIFM DATA SEQUENCE IGPSAHEVGV GYRYLNESTH EMRYYTATSS GQLPSGSSPY DRDTRSGTEA DATA SEQUENCE HAWYLDDKID IGNWTITPGM RFEHIESYQN NAITGTHEEV SYNAPLPALN DATA SEQUENCE VLYHLTDSWN LYANTEGSFG TVQYSQIGKA VQSGNVEPEK ARTWELGTRY DATA SEQUENCE DDGALTAEMG LFLINFNNQY DSNQTNDTVT ARGKTRHTGL ETQARYDLGT DATA SEQUENCE LTPTLDNVSI YASYAYVNAE IREKGDTYGN LVPFSPKHKG TLGVDYKPGN DATA SEQUENCE WTFNLNSDFQ SSQFADNANT VKESADGSTG RIPGFMLWGA RVAYDFGPQM DATA SEQUENCE ADLNLAFGVK NIFDQDYFIR SYDDNNKGIY AGQPRTLYMQ GSLKF 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 97 V HA 0.000 nan 4.120 nan 0.000 0.244 97 V C 0.000 176.207 176.094 0.189 0.000 1.182 97 V CA 0.000 62.358 62.300 0.096 0.000 1.235 97 V CB 0.000 31.848 31.823 0.042 0.000 1.184 98 F N 2.107 122.091 119.950 0.058 0.000 2.374 98 F HA 0.462 4.989 4.527 0.001 0.000 0.291 98 F C 1.627 177.464 175.800 0.061 0.000 1.084 98 F CA 1.253 59.293 58.000 0.066 0.000 1.413 98 F CB 0.548 39.573 39.000 0.041 0.000 1.099 98 F HN 0.040 nan 8.300 nan 0.000 0.534 99 E N 0.314 120.525 120.200 0.018 0.000 2.311 99 E HA -0.029 4.321 4.350 0.000 0.000 0.198 99 E C -0.745 175.806 176.600 -0.082 0.000 1.115 99 E CA 0.085 56.422 56.400 -0.105 0.000 1.140 99 E CB -0.986 28.725 29.700 0.018 0.000 1.204 99 E HN 0.402 nan 8.360 nan 0.000 0.446 100 H N 0.331 119.308 119.070 -0.155 0.000 2.641 100 H HA 0.390 4.946 4.556 0.000 0.000 0.295 100 H C -0.329 174.810 175.328 -0.314 0.000 1.070 100 H CA -0.486 55.456 56.048 -0.177 0.000 1.257 100 H CB 0.670 30.347 29.762 -0.141 0.000 1.393 100 H HN 0.046 nan 8.280 nan 0.000 0.464 101 A N 4.680 127.086 122.820 -0.690 0.000 2.618 101 A HA 0.493 4.813 4.320 0.000 0.000 0.293 101 A C 0.876 177.936 177.584 -0.874 0.000 1.413 101 A CA 0.926 52.601 52.037 -0.603 0.000 1.074 101 A CB -1.252 17.528 19.000 -0.367 0.000 1.087 101 A HN 1.155 nan 8.150 nan 0.000 0.553 102 G N 0.193 108.093 108.800 -1.499 0.000 2.355 102 G HA2 0.515 4.475 3.960 0.000 0.000 0.619 102 G HA3 0.515 4.475 3.960 0.000 0.000 0.619 102 G C -0.249 174.332 174.900 -0.530 0.000 1.337 102 G CA -0.327 44.131 45.100 -1.069 0.000 0.993 102 G HN 1.878 nan 8.290 nan 0.000 0.599 103 A N 0.252 123.025 122.820 -0.078 0.000 2.444 103 A HA 0.740 5.061 4.320 0.000 0.000 0.273 103 A C 0.683 178.256 177.584 -0.018 0.000 1.136 103 A CA 1.026 53.117 52.037 0.089 0.000 0.799 103 A CB 0.140 19.230 19.000 0.149 0.000 1.081 103 A HN 1.217 nan 8.150 nan 0.000 0.509 104 R N 2.367 122.830 120.500 -0.061 0.000 2.604 104 R HA 0.439 4.779 4.340 0.000 0.000 0.270 104 R C -2.222 174.015 176.300 -0.105 0.000 1.052 104 R CA -0.532 55.441 56.100 -0.211 0.000 0.902 104 R CB 1.647 31.575 30.300 -0.622 0.000 1.233 104 R HN 0.741 nan 8.270 nan 0.000 0.455 105 D N 2.331 122.669 120.400 -0.104 0.000 2.857 105 D HA 0.346 4.987 4.640 0.000 0.000 0.227 105 D C -1.576 174.677 176.300 -0.079 0.000 1.192 105 D CA -0.340 53.625 54.000 -0.058 0.000 0.857 105 D CB 2.893 43.678 40.800 -0.026 0.000 1.645 105 D HN 0.227 nan 8.370 nan 0.000 0.482 106 V N 2.465 122.344 119.914 -0.059 0.000 2.709 106 V HA 0.501 4.622 4.120 0.000 0.000 0.308 106 V C -1.603 174.459 176.094 -0.053 0.000 1.062 106 V CA -0.568 61.695 62.300 -0.062 0.000 0.901 106 V CB 1.880 33.664 31.823 -0.065 0.000 1.003 106 V HN 0.361 nan 8.190 nan 0.000 0.425 107 I N 6.824 127.369 120.570 -0.042 0.000 2.410 107 I HA 0.554 4.724 4.170 0.000 0.000 0.286 107 I C 0.382 176.361 176.117 -0.229 0.000 1.009 107 I CA -0.407 60.848 61.300 -0.075 0.000 1.111 107 I CB 1.540 39.575 38.000 0.059 0.000 1.262 107 I HN 0.641 nan 8.210 nan 0.000 0.443 108 R N 4.045 124.344 120.500 -0.335 0.000 2.560 108 R HA 0.352 4.692 4.340 0.000 0.000 0.270 108 R C 1.318 177.044 176.300 -0.957 0.000 1.074 108 R CA -0.694 55.136 56.100 -0.449 0.000 1.140 108 R CB 1.461 31.608 30.300 -0.254 0.000 1.073 108 R HN 0.538 nan 8.270 nan 0.000 0.527 109 R N 1.811 121.781 120.500 -0.883 0.000 2.136 109 R HA -0.297 4.043 4.340 0.000 0.000 0.242 109 R C 1.159 177.099 176.300 -0.601 0.000 1.131 109 R CA 2.529 58.074 56.100 -0.925 0.000 0.937 109 R CB -0.188 29.986 30.300 -0.210 0.000 0.863 109 R HN 0.677 nan 8.270 nan 0.000 0.435 110 E N 0.754 120.757 120.200 -0.328 0.000 2.068 110 E HA -0.223 4.127 4.350 0.000 0.000 0.207 110 E C 1.434 177.951 176.600 -0.137 0.000 1.032 110 E CA 2.116 58.414 56.400 -0.169 0.000 0.839 110 E CB -0.267 29.359 29.700 -0.123 0.000 0.758 110 E HN 0.516 nan 8.360 nan 0.000 0.457 111 D N -0.361 119.918 120.400 -0.202 0.000 2.358 111 D HA -0.064 4.576 4.640 0.000 0.000 0.241 111 D C 0.907 177.222 176.300 0.026 0.000 1.094 111 D CA 0.288 54.239 54.000 -0.083 0.000 0.907 111 D CB -0.040 40.707 40.800 -0.088 0.000 0.893 111 D HN 0.105 nan 8.370 nan 0.000 0.528 112 F N 1.830 121.765 119.950 -0.025 0.000 2.074 112 F HA 0.021 4.548 4.527 0.000 0.000 0.293 112 F C 2.607 178.385 175.800 -0.037 0.000 1.116 112 F CA 0.158 58.133 58.000 -0.042 0.000 1.212 112 F CB -1.126 37.839 39.000 -0.058 0.000 0.998 112 F HN -0.021 nan 8.300 nan 0.000 0.471 113 A N -0.181 122.755 122.820 0.193 0.000 2.178 113 A HA -0.194 4.127 4.320 0.000 0.000 0.218 113 A C 2.248 179.899 177.584 0.111 0.000 1.157 113 A CA 1.255 53.351 52.037 0.099 0.000 0.689 113 A CB -0.955 18.094 19.000 0.082 0.000 0.787 113 A HN 0.367 nan 8.150 nan 0.000 0.465 114 K N 0.017 120.493 120.400 0.127 0.000 2.127 114 K HA -0.248 4.072 4.320 0.000 0.000 0.212 114 K C 1.441 178.145 176.600 0.174 0.000 1.050 114 K CA 2.129 58.507 56.287 0.151 0.000 0.929 114 K CB -0.261 32.330 32.500 0.152 0.000 0.715 114 K HN 0.621 nan 8.250 nan 0.000 0.457 115 T N -4.212 110.418 114.554 0.126 0.000 3.132 115 T HA 0.312 4.662 4.350 0.000 0.000 0.274 115 T C 0.859 175.542 174.700 -0.029 0.000 1.011 115 T CA 0.344 62.514 62.100 0.116 0.000 0.899 115 T CB 0.826 69.746 68.868 0.086 0.000 1.089 115 T HN 0.396 nan 8.240 nan 0.000 0.543 116 G N 1.387 110.110 108.800 -0.129 0.000 2.148 116 G HA2 -0.081 3.879 3.960 0.000 0.000 0.254 116 G HA3 -0.081 3.879 3.960 0.000 0.000 0.254 116 G C 0.391 175.042 174.900 -0.416 0.000 0.981 116 G CA -0.139 44.594 45.100 -0.612 0.000 0.670 116 G HN 1.326 nan 8.290 nan 0.000 0.528 117 A N -0.338 122.360 122.820 -0.202 0.000 2.546 117 A HA 0.613 4.933 4.320 0.000 0.000 0.243 117 A C 1.247 178.700 177.584 -0.218 0.000 1.063 117 A CA 1.861 53.791 52.037 -0.179 0.000 0.757 117 A CB 0.513 19.441 19.000 -0.121 0.000 0.991 117 A HN 1.104 nan 8.150 nan 0.000 0.503 118 T N 0.436 114.853 114.554 -0.229 0.000 3.016 118 T HA 0.284 4.634 4.350 0.000 0.000 0.271 118 T C 0.366 174.909 174.700 -0.262 0.000 0.968 118 T CA 0.938 62.898 62.100 -0.234 0.000 0.891 118 T CB -0.244 68.508 68.868 -0.193 0.000 1.149 118 T HN 1.276 nan 8.240 nan 0.000 0.524 119 T N -0.960 113.440 114.554 -0.257 0.000 2.916 119 T HA 0.485 4.836 4.350 0.000 0.000 0.305 119 T C 1.060 175.588 174.700 -0.287 0.000 1.119 119 T CA -0.618 61.325 62.100 -0.262 0.000 1.008 119 T CB 1.442 70.203 68.868 -0.178 0.000 1.129 119 T HN -0.134 nan 8.240 nan 0.000 0.480 120 M N 1.542 120.939 119.600 -0.339 0.000 2.152 120 M HA -0.173 4.307 4.480 0.000 0.000 0.251 120 M C 2.332 178.516 176.300 -0.193 0.000 1.080 120 M CA 2.166 57.270 55.300 -0.327 0.000 1.079 120 M CB -0.832 31.538 32.600 -0.383 0.000 1.317 120 M HN 0.843 nan 8.290 nan 0.000 0.404 121 R N -0.085 120.331 120.500 -0.139 0.000 2.083 121 R HA -0.196 4.145 4.340 0.000 0.000 0.237 121 R C 1.940 178.207 176.300 -0.056 0.000 1.137 121 R CA 2.111 58.171 56.100 -0.066 0.000 0.951 121 R CB -0.345 29.931 30.300 -0.039 0.000 0.851 121 R HN 0.569 nan 8.270 nan 0.000 0.434 122 E N -0.337 119.813 120.200 -0.082 0.000 2.153 122 E HA -0.153 4.197 4.350 0.000 0.000 0.194 122 E C 1.949 178.507 176.600 -0.069 0.000 0.988 122 E CA 1.414 57.773 56.400 -0.068 0.000 0.811 122 E CB 0.087 29.730 29.700 -0.094 0.000 0.746 122 E HN 0.219 nan 8.360 nan 0.000 0.466 123 V N 0.845 120.692 119.914 -0.111 0.000 2.649 123 V HA -0.149 3.972 4.120 0.000 0.000 0.248 123 V C 1.972 178.054 176.094 -0.020 0.000 1.054 123 V CA 0.846 63.114 62.300 -0.053 0.000 1.073 123 V CB -0.111 31.648 31.823 -0.106 0.000 0.699 123 V HN 0.176 nan 8.190 nan 0.000 0.463 124 L N 0.206 121.402 121.223 -0.045 0.000 2.109 124 L HA 0.028 4.368 4.340 0.000 0.000 0.207 124 L C 2.066 178.944 176.870 0.013 0.000 1.086 124 L CA 1.476 56.298 54.840 -0.029 0.000 0.760 124 L CB -1.323 40.698 42.059 -0.064 0.000 0.910 124 L HN 0.301 nan 8.230 nan 0.000 0.437 125 N N -0.009 118.696 118.700 0.009 0.000 2.571 125 N HA -0.090 4.650 4.740 0.000 0.000 0.189 125 N C 1.609 177.102 175.510 -0.029 0.000 1.154 125 N CA 0.371 53.425 53.050 0.008 0.000 0.907 125 N CB 0.201 38.696 38.487 0.014 0.000 0.977 125 N HN 0.376 nan 8.380 nan 0.000 0.449 126 R N -0.538 119.943 120.500 -0.032 0.000 2.254 126 R HA 0.187 4.527 4.340 0.000 0.000 0.195 126 R C 0.328 176.590 176.300 -0.063 0.000 0.957 126 R CA -0.041 56.022 56.100 -0.061 0.000 1.024 126 R CB 0.439 30.704 30.300 -0.058 0.000 0.952 126 R HN 0.085 nan 8.270 nan 0.000 0.484 127 I N 3.832 124.383 120.570 -0.032 0.000 2.588 127 I HA 0.026 4.196 4.170 0.000 0.000 0.283 127 I C -1.884 174.222 176.117 -0.019 0.000 1.119 127 I CA -1.999 59.289 61.300 -0.019 0.000 1.419 127 I CB 0.646 38.648 38.000 0.003 0.000 1.394 127 I HN -0.128 nan 8.210 nan 0.000 0.562 128 P HA 0.067 nan 4.420 nan 0.000 0.271 128 P C 0.535 177.835 177.300 -0.001 0.000 1.220 128 P CA 0.213 63.309 63.100 -0.007 0.000 0.768 128 P CB 0.908 32.628 31.700 0.033 0.000 0.848 129 G N 1.557 110.339 108.800 -0.029 0.000 2.153 129 G HA2 -0.178 3.782 3.960 0.000 0.000 0.252 129 G HA3 -0.178 3.782 3.960 0.000 0.000 0.252 129 G C -0.196 174.668 174.900 -0.061 0.000 0.994 129 G CA -0.052 45.029 45.100 -0.032 0.000 0.698 129 G HN 0.554 nan 8.290 nan 0.000 0.521 130 V N 0.396 120.290 119.914 -0.035 0.000 2.482 130 V HA 0.712 4.833 4.120 0.000 0.000 0.295 130 V C 0.143 176.235 176.094 -0.004 0.000 1.026 130 V CA -0.092 62.209 62.300 0.001 0.000 0.856 130 V CB 1.806 33.711 31.823 0.138 0.000 1.001 130 V HN 0.541 nan 8.190 nan 0.000 0.424 131 S N 3.908 119.581 115.700 -0.046 0.000 2.451 131 S HA 0.811 5.282 4.470 0.000 0.000 0.301 131 S C -0.071 174.533 174.600 0.008 0.000 1.116 131 S CA 0.009 58.193 58.200 -0.027 0.000 1.093 131 S CB 1.302 64.471 63.200 -0.050 0.000 1.017 131 S HN 1.139 nan 8.310 nan 0.000 0.482 132 A N 6.809 129.658 122.820 0.048 0.000 2.893 132 A HA 0.572 4.892 4.320 0.000 0.000 0.333 132 A C -2.625 174.986 177.584 0.044 0.000 1.152 132 A CA -1.566 50.509 52.037 0.064 0.000 0.782 132 A CB 0.443 19.502 19.000 0.098 0.000 1.108 132 A HN 0.681 nan 8.150 nan 0.000 0.469 133 P HA -0.008 nan 4.420 nan 0.000 0.269 133 P C -0.325 177.004 177.300 0.048 0.000 1.211 133 P CA 0.396 63.526 63.100 0.050 0.000 0.781 133 P CB 0.663 32.368 31.700 0.007 0.000 0.877 134 E N 1.217 121.488 120.200 0.118 0.000 2.360 134 E HA 0.067 4.418 4.350 0.000 0.000 0.269 134 E C -0.033 176.609 176.600 0.070 0.000 1.022 134 E CA -0.499 55.992 56.400 0.152 0.000 0.887 134 E CB -0.155 29.729 29.700 0.306 0.000 0.990 134 E HN 0.361 nan 8.360 nan 0.000 0.426 135 N N 3.009 121.724 118.700 0.024 0.000 1.920 135 N HA -0.181 4.559 4.740 0.000 0.000 0.307 135 N C -0.696 174.800 175.510 -0.023 0.000 1.305 135 N CA 0.913 53.935 53.050 -0.047 0.000 0.800 135 N CB -0.365 38.094 38.487 -0.047 0.000 1.035 135 N HN 0.615 nan 8.380 nan 0.000 0.498 136 N N -0.545 118.036 118.700 -0.198 0.000 2.934 136 N HA 0.660 5.400 4.740 0.000 0.000 0.253 136 N C 0.391 175.691 175.510 -0.349 0.000 1.466 136 N CA -0.644 52.054 53.050 -0.586 0.000 0.858 136 N CB 0.766 38.747 38.487 -0.843 0.000 1.459 136 N HN 0.495 nan 8.380 nan 0.000 0.532 137 G N -0.145 108.453 108.800 -0.336 0.000 2.602 137 G HA2 -0.393 3.567 3.960 0.000 0.000 0.306 137 G HA3 -0.393 3.567 3.960 0.000 0.000 0.306 137 G C 0.764 175.641 174.900 -0.037 0.000 1.301 137 G CA 0.977 46.019 45.100 -0.096 0.000 0.974 137 G HN 0.805 nan 8.290 nan 0.000 0.547 138 T N 1.144 115.650 114.554 -0.081 0.000 2.788 138 T HA 0.080 4.431 4.350 0.000 0.000 0.268 138 T C 2.083 176.645 174.700 -0.231 0.000 1.044 138 T CA 2.096 64.153 62.100 -0.073 0.000 1.139 138 T CB -0.521 68.302 68.868 -0.074 0.000 0.867 138 T HN 1.438 nan 8.240 nan 0.000 0.454 139 G N 1.001 109.597 108.800 -0.340 0.000 3.452 139 G HA2 0.180 4.141 3.960 0.000 0.000 0.258 139 G HA3 0.180 4.141 3.960 0.000 0.000 0.258 139 G C 0.525 175.083 174.900 -0.569 0.000 1.305 139 G CA -0.274 44.466 45.100 -0.600 0.000 1.514 139 G HN 0.389 nan 8.290 nan 0.000 0.593 140 S N 0.968 116.451 115.700 -0.363 0.000 3.324 140 S HA 0.336 4.806 4.470 0.000 0.000 0.229 140 S C -0.085 174.482 174.600 -0.056 0.000 1.417 140 S CA -0.695 57.455 58.200 -0.082 0.000 1.211 140 S CB -0.737 62.582 63.200 0.198 0.000 1.157 140 S HN 0.786 nan 8.310 nan 0.000 0.491 141 H N -2.630 116.394 119.070 -0.076 0.000 3.081 141 H HA 0.346 4.902 4.556 0.000 0.000 0.322 141 H C -0.407 174.872 175.328 -0.082 0.000 1.266 141 H CA -0.904 55.102 56.048 -0.069 0.000 1.279 141 H CB -0.487 29.252 29.762 -0.040 0.000 1.954 141 H HN -0.023 nan 8.280 nan 0.000 0.530 142 D N 1.056 121.507 120.400 0.085 0.000 2.393 142 D HA -0.075 4.565 4.640 0.000 0.000 0.220 142 D C 1.189 177.541 176.300 0.087 0.000 0.974 142 D CA 1.113 55.133 54.000 0.033 0.000 0.931 142 D CB 0.141 40.947 40.800 0.011 0.000 0.889 142 D HN 0.431 nan 8.370 nan 0.000 0.512 143 L N -0.402 120.983 121.223 0.269 0.000 2.375 143 L HA 0.228 4.569 4.340 0.000 0.000 0.215 143 L C 1.150 178.069 176.870 0.081 0.000 1.108 143 L CA 0.251 55.242 54.840 0.252 0.000 0.830 143 L CB -0.305 41.964 42.059 0.350 0.000 0.959 143 L HN -0.098 nan 8.230 nan 0.000 0.457 144 A N -0.281 122.496 122.820 -0.071 0.000 2.264 144 A HA 0.628 4.948 4.320 0.000 0.000 0.304 144 A C -0.300 177.166 177.584 -0.197 0.000 1.100 144 A CA -0.372 51.521 52.037 -0.240 0.000 0.839 144 A CB 0.624 19.311 19.000 -0.521 0.000 1.121 144 A HN 0.120 nan 8.150 nan 0.000 0.496 145 M N 1.874 121.368 119.600 -0.177 0.000 2.253 145 M HA 0.380 4.861 4.480 0.000 0.000 0.314 145 M C -1.622 174.617 176.300 -0.102 0.000 1.019 145 M CA -0.471 54.756 55.300 -0.121 0.000 0.932 145 M CB 1.170 33.722 32.600 -0.080 0.000 1.606 145 M HN 0.651 nan 8.290 nan 0.000 0.430 146 N N 5.786 124.443 118.700 -0.073 0.000 2.564 146 N HA 0.397 5.137 4.740 0.000 0.000 0.248 146 N C -2.001 173.533 175.510 0.040 0.000 0.986 146 N CA -0.074 52.936 53.050 -0.067 0.000 0.921 146 N CB 1.327 39.741 38.487 -0.122 0.000 1.136 146 N HN 0.651 nan 8.380 nan 0.000 0.509 147 F N 0.910 120.781 119.950 -0.132 0.000 2.562 147 F HA 0.720 5.248 4.527 0.001 0.000 0.319 147 F C -0.539 175.182 175.800 -0.132 0.000 1.154 147 F CA -0.636 57.295 58.000 -0.115 0.000 0.931 147 F CB 1.306 40.248 39.000 -0.096 0.000 1.198 147 F HN 0.290 nan 8.300 nan 0.000 0.444 148 G N 5.875 114.266 108.800 -0.683 0.000 2.563 148 G HA2 0.675 4.635 3.960 0.000 0.000 0.302 148 G HA3 0.675 4.635 3.960 0.000 0.000 0.302 148 G C -1.838 172.667 174.900 -0.659 0.000 1.301 148 G CA -0.927 43.727 45.100 -0.744 0.000 0.965 148 G HN 1.119 nan 8.290 nan 0.000 0.480 149 I N -2.082 118.144 120.570 -0.574 0.000 2.828 149 I HA 0.733 4.903 4.170 0.000 0.000 0.302 149 I C 0.316 176.232 176.117 -0.335 0.000 1.101 149 I CA -1.382 59.686 61.300 -0.386 0.000 1.031 149 I CB 2.186 39.975 38.000 -0.353 0.000 1.231 149 I HN 0.705 nan 8.210 nan 0.000 0.427 150 R N 3.773 124.090 120.500 -0.304 0.000 3.322 150 R HA -0.182 4.158 4.340 0.000 0.000 0.253 150 R C 0.903 177.161 176.300 -0.069 0.000 0.987 150 R CA 0.734 56.637 56.100 -0.328 0.000 0.666 150 R CB -2.287 27.556 30.300 -0.761 0.000 1.072 150 R HN 1.563 nan 8.270 nan 0.000 0.447 151 G N -0.747 108.034 108.800 -0.031 0.000 2.184 151 G HA2 -0.331 3.629 3.960 0.000 0.000 0.264 151 G HA3 -0.331 3.629 3.960 0.000 0.000 0.264 151 G C 0.250 175.193 174.900 0.071 0.000 0.975 151 G CA 0.306 45.452 45.100 0.076 0.000 0.642 151 G HN 0.310 nan 8.290 nan 0.000 0.536 152 L N 0.743 121.895 121.223 -0.117 0.000 2.349 152 L HA 0.271 4.611 4.340 0.000 0.000 0.275 152 L C 0.936 177.700 176.870 -0.176 0.000 1.115 152 L CA -0.833 53.890 54.840 -0.196 0.000 0.820 152 L CB 0.744 42.603 42.059 -0.334 0.000 1.135 152 L HN 0.233 nan 8.230 nan 0.000 0.445 153 N N 5.566 124.174 118.700 -0.152 0.000 2.417 153 N HA -0.015 4.725 4.740 0.000 0.000 0.272 153 N C -1.449 173.920 175.510 -0.234 0.000 1.304 153 N CA -1.063 51.893 53.050 -0.156 0.000 0.906 153 N CB 0.691 39.091 38.487 -0.146 0.000 1.135 153 N HN 0.334 nan 8.380 nan 0.000 0.483 154 P HA -0.121 nan 4.420 nan 0.000 0.225 154 P C 0.049 177.199 177.300 -0.250 0.000 1.156 154 P CA 0.255 63.198 63.100 -0.263 0.000 0.787 154 P CB 0.124 31.698 31.700 -0.211 0.000 0.802 155 R N 1.650 121.973 120.500 -0.296 0.000 2.478 155 R HA -0.108 4.233 4.340 0.000 0.000 0.281 155 R C 0.395 176.560 176.300 -0.225 0.000 0.939 155 R CA 0.039 55.969 56.100 -0.283 0.000 1.120 155 R CB -0.349 29.771 30.300 -0.300 0.000 0.885 155 R HN -0.066 nan 8.270 nan 0.000 0.415 156 L N 2.868 123.963 121.223 -0.213 0.000 3.905 156 L HA -0.343 3.998 4.340 0.000 0.000 0.437 156 L C 0.986 177.751 176.870 -0.174 0.000 1.152 156 L CA 1.797 56.519 54.840 -0.196 0.000 0.935 156 L CB -2.993 38.952 42.059 -0.190 0.000 1.841 156 L HN 1.053 nan 8.230 nan 0.000 0.998 157 A N -1.353 121.381 122.820 -0.144 0.000 2.771 157 A HA -0.317 4.003 4.320 0.000 0.000 0.294 157 A C 1.897 179.388 177.584 -0.155 0.000 1.500 157 A CA 1.671 53.648 52.037 -0.100 0.000 0.829 157 A CB -1.737 17.258 19.000 -0.008 0.000 0.998 157 A HN 1.273 nan 8.150 nan 0.000 0.526 158 S N -0.525 115.061 115.700 -0.189 0.000 2.419 158 S HA -0.119 4.351 4.470 0.000 0.000 0.233 158 S C 1.199 175.686 174.600 -0.187 0.000 1.016 158 S CA 1.181 59.266 58.200 -0.192 0.000 0.974 158 S CB -0.212 62.882 63.200 -0.176 0.000 0.786 158 S HN 0.765 nan 8.310 nan 0.000 0.492 159 R N 1.284 121.666 120.500 -0.197 0.000 2.831 159 R HA 0.433 4.773 4.340 0.000 0.000 0.337 159 R C -0.676 175.529 176.300 -0.159 0.000 1.200 159 R CA -0.131 55.872 56.100 -0.162 0.000 1.088 159 R CB 0.531 30.759 30.300 -0.121 0.000 1.397 159 R HN 0.225 nan 8.270 nan 0.000 0.581 160 S N -0.153 115.459 115.700 -0.147 0.000 2.566 160 S HA 0.327 4.797 4.470 0.000 0.000 0.298 160 S C -0.109 174.405 174.600 -0.142 0.000 1.083 160 S CA -0.661 57.486 58.200 -0.089 0.000 0.978 160 S CB 2.357 65.627 63.200 0.116 0.000 1.073 160 S HN -0.001 nan 8.310 nan 0.000 0.491 161 T N 2.148 116.602 114.554 -0.166 0.000 3.151 161 T HA 0.305 4.655 4.350 0.000 0.000 0.332 161 T C -0.278 174.237 174.700 -0.308 0.000 1.245 161 T CA -0.217 61.740 62.100 -0.238 0.000 1.019 161 T CB 0.044 68.770 68.868 -0.237 0.000 1.109 161 T HN 0.472 nan 8.240 nan 0.000 0.621 162 V N 6.538 126.265 119.914 -0.312 0.000 2.383 162 V HA 0.720 4.840 4.120 0.000 0.000 0.275 162 V C -0.832 175.021 176.094 -0.400 0.000 1.036 162 V CA -0.423 61.623 62.300 -0.423 0.000 0.889 162 V CB 0.169 31.779 31.823 -0.357 0.000 0.985 162 V HN 0.684 nan 8.190 nan 0.000 0.459 163 L N 5.694 126.631 121.223 -0.477 0.000 2.277 163 L HA 0.700 5.040 4.340 0.000 0.000 0.254 163 L C -0.459 176.256 176.870 -0.258 0.000 1.044 163 L CA -0.851 53.787 54.840 -0.336 0.000 0.842 163 L CB 2.194 44.065 42.059 -0.315 0.000 1.422 163 L HN 0.683 nan 8.230 nan 0.000 0.422 164 M N 1.201 120.720 119.600 -0.135 0.000 2.067 164 M HA 0.349 4.829 4.480 0.000 0.000 0.286 164 M C -1.225 175.053 176.300 -0.038 0.000 0.922 164 M CA -0.083 55.205 55.300 -0.019 0.000 0.937 164 M CB 0.874 33.496 32.600 0.037 0.000 1.550 164 M HN 0.636 nan 8.290 nan 0.000 0.433 165 D N 3.769 124.155 120.400 -0.022 0.000 2.837 165 D HA -0.180 4.460 4.640 0.000 0.000 0.230 165 D C 0.907 177.202 176.300 -0.009 0.000 1.152 165 D CA 2.198 56.197 54.000 -0.001 0.000 0.736 165 D CB -1.206 39.610 40.800 0.028 0.000 1.084 165 D HN 1.228 nan 8.370 nan 0.000 0.429 166 G N -1.725 107.045 108.800 -0.050 0.000 2.258 166 G HA2 -0.338 3.622 3.960 0.000 0.000 0.233 166 G HA3 -0.338 3.622 3.960 0.000 0.000 0.233 166 G C 0.309 175.139 174.900 -0.117 0.000 1.006 166 G CA 0.037 45.122 45.100 -0.026 0.000 0.620 166 G HN 0.427 nan 8.290 nan 0.000 0.511 167 I N 3.438 123.901 120.570 -0.178 0.000 2.556 167 I HA 0.354 4.525 4.170 0.000 0.000 0.284 167 I C -1.898 173.989 176.117 -0.383 0.000 1.114 167 I CA -2.475 58.596 61.300 -0.382 0.000 1.418 167 I CB 0.671 38.478 38.000 -0.323 0.000 1.394 167 I HN -0.115 nan 8.210 nan 0.000 0.552 168 P HA 0.020 nan 4.420 nan 0.000 0.265 168 P C 0.830 177.943 177.300 -0.312 0.000 1.222 168 P CA 0.051 62.932 63.100 -0.365 0.000 0.767 168 P CB 0.514 32.010 31.700 -0.340 0.000 0.801 169 V N 5.558 125.317 119.914 -0.258 0.000 2.453 169 V HA -0.057 4.064 4.120 0.000 0.000 0.247 169 V C -1.370 174.561 176.094 -0.271 0.000 1.048 169 V CA 1.292 63.465 62.300 -0.213 0.000 1.049 169 V CB -1.972 29.768 31.823 -0.138 0.000 0.672 169 V HN 0.565 nan 8.190 nan 0.000 0.457 170 P HA 0.011 nan 4.420 nan 0.000 0.270 170 P C 0.035 177.088 177.300 -0.412 0.000 1.223 170 P CA 0.119 62.906 63.100 -0.522 0.000 0.785 170 P CB 0.172 31.574 31.700 -0.496 0.000 0.923 171 F N -0.646 119.133 119.950 -0.285 0.000 2.660 171 F HA 0.681 5.208 4.527 0.000 0.000 0.302 171 F C 0.532 176.205 175.800 -0.212 0.000 1.103 171 F CA -1.258 56.571 58.000 -0.286 0.000 1.340 171 F CB -0.840 37.878 39.000 -0.470 0.000 1.048 171 F HN 0.196 nan 8.300 nan 0.000 0.551 172 A N 0.160 122.988 122.820 0.012 0.000 3.306 172 A HA 0.442 4.762 4.320 0.000 0.000 0.236 172 A C -2.223 175.323 177.584 -0.062 0.000 1.182 172 A CA -0.606 51.517 52.037 0.142 0.000 1.024 172 A CB -0.397 18.789 19.000 0.311 0.000 1.384 172 A HN -0.004 nan 8.150 nan 0.000 0.751 173 P HA -0.188 nan 4.420 nan 0.000 0.219 173 P C 0.637 177.721 177.300 -0.360 0.000 1.144 173 P CA 1.846 64.790 63.100 -0.261 0.000 0.806 173 P CB -0.020 31.537 31.700 -0.238 0.000 0.771 174 Y N -2.641 117.565 120.300 -0.157 0.000 2.539 174 Y HA 0.286 4.836 4.550 0.000 0.000 0.284 174 Y C 2.633 178.295 175.900 -0.396 0.000 1.134 174 Y CA 0.863 58.838 58.100 -0.208 0.000 1.251 174 Y CB -0.992 37.399 38.460 -0.114 0.000 1.260 174 Y HN -0.143 nan 8.280 nan 0.000 0.528 175 G N -0.761 107.765 108.800 -0.455 0.000 2.426 175 G HA2 -0.018 3.942 3.960 0.000 0.000 0.214 175 G HA3 -0.018 3.942 3.960 0.000 0.000 0.214 175 G C 0.587 175.045 174.900 -0.736 0.000 1.156 175 G CA 0.478 44.677 45.100 -1.501 0.000 0.802 175 G HN 0.074 nan 8.290 nan 0.000 0.534 176 Q N -0.313 119.327 119.800 -0.267 0.000 2.891 176 Q HA 0.244 4.585 4.340 0.000 0.000 0.242 176 Q C -2.282 173.569 176.000 -0.248 0.000 0.959 176 Q CA -1.554 54.189 55.803 -0.100 0.000 0.707 176 Q CB 2.357 31.223 28.738 0.213 0.000 1.283 176 Q HN 0.125 nan 8.270 nan 0.000 0.480 177 P HA -0.115 nan 4.420 nan 0.000 0.223 177 P C -0.196 176.895 177.300 -0.348 0.000 1.151 177 P CA 0.719 63.629 63.100 -0.316 0.000 0.787 177 P CB 0.496 32.035 31.700 -0.270 0.000 0.788 178 Q N -0.292 119.341 119.800 -0.278 0.000 2.326 178 Q HA -0.019 4.321 4.340 0.000 0.000 0.314 178 Q C 0.453 176.214 176.000 -0.400 0.000 1.091 178 Q CA 1.015 56.665 55.803 -0.255 0.000 0.974 178 Q CB -0.198 28.461 28.738 -0.132 0.000 1.220 178 Q HN 0.212 nan 8.270 nan 0.000 0.398 179 L N 1.620 122.651 121.223 -0.319 0.000 3.108 179 L HA 0.116 4.456 4.340 0.000 0.000 0.251 179 L C 0.533 177.270 176.870 -0.221 0.000 1.315 179 L CA -0.053 54.580 54.840 -0.346 0.000 1.048 179 L CB 0.004 41.904 42.059 -0.264 0.000 1.432 179 L HN 0.719 nan 8.230 nan 0.000 0.543 180 S N 0.135 115.753 115.700 -0.137 0.000 2.559 180 S HA -0.109 4.361 4.470 0.000 0.000 0.250 180 S C 0.439 174.979 174.600 -0.101 0.000 0.977 180 S CA 0.516 58.615 58.200 -0.168 0.000 0.958 180 S CB -0.334 62.822 63.200 -0.074 0.000 0.751 180 S HN 0.356 nan 8.310 nan 0.000 0.534 181 L N 0.356 121.591 121.223 0.020 0.000 2.666 181 L HA 0.586 4.926 4.340 0.000 0.000 0.258 181 L C -0.821 175.963 176.870 -0.143 0.000 0.991 181 L CA -0.190 54.690 54.840 0.065 0.000 0.916 181 L CB 1.069 43.281 42.059 0.256 0.000 1.199 181 L HN 0.017 nan 8.230 nan 0.000 0.439 182 A N 5.471 128.168 122.820 -0.205 0.000 2.880 182 A HA 0.714 5.034 4.320 0.000 0.000 0.328 182 A C -2.287 175.069 177.584 -0.379 0.000 1.440 182 A CA -1.323 50.568 52.037 -0.244 0.000 1.068 182 A CB -0.354 18.541 19.000 -0.175 0.000 1.163 182 A HN 0.537 nan 8.150 nan 0.000 0.510 183 P HA 0.114 nan 4.420 nan 0.000 0.235 183 P C -0.390 176.763 177.300 -0.246 0.000 1.670 183 P CA 0.816 63.436 63.100 -0.799 0.000 1.017 183 P CB -0.129 31.257 31.700 -0.524 0.000 1.945 184 V N 0.031 119.869 119.914 -0.126 0.000 3.147 184 V HA 0.667 4.787 4.120 0.000 0.000 0.306 184 V C -1.332 174.682 176.094 -0.134 0.000 1.209 184 V CA -0.581 61.646 62.300 -0.122 0.000 1.023 184 V CB 2.753 34.404 31.823 -0.286 0.000 1.059 184 V HN -0.005 nan 8.190 nan 0.000 0.435 185 S N 3.594 119.167 115.700 -0.212 0.000 2.614 185 S HA 0.357 4.827 4.470 0.000 0.000 0.275 185 S C 0.127 174.543 174.600 -0.306 0.000 1.161 185 S CA -0.284 57.770 58.200 -0.244 0.000 0.969 185 S CB 1.562 64.656 63.200 -0.178 0.000 1.059 185 S HN 0.993 nan 8.310 nan 0.000 0.482 186 L N 4.191 125.183 121.223 -0.385 0.000 2.189 186 L HA -0.041 4.299 4.340 0.000 0.000 0.214 186 L C 2.109 178.817 176.870 -0.270 0.000 1.097 186 L CA 2.510 57.095 54.840 -0.425 0.000 0.764 186 L CB -0.713 41.006 42.059 -0.567 0.000 0.900 186 L HN 0.891 nan 8.230 nan 0.000 0.436 187 G N -0.677 107.980 108.800 -0.237 0.000 2.450 187 G HA2 -0.276 3.685 3.960 0.000 0.000 0.220 187 G HA3 -0.276 3.685 3.960 0.000 0.000 0.220 187 G C 1.138 175.980 174.900 -0.098 0.000 1.130 187 G CA 0.927 45.924 45.100 -0.172 0.000 0.760 187 G HN 0.545 nan 8.290 nan 0.000 0.557 188 N N 0.044 118.689 118.700 -0.092 0.000 2.238 188 N HA 0.191 4.931 4.740 0.000 0.000 0.222 188 N C -0.097 175.415 175.510 0.004 0.000 1.133 188 N CA 0.088 53.119 53.050 -0.032 0.000 0.854 188 N CB 0.617 39.090 38.487 -0.023 0.000 1.041 188 N HN 0.169 nan 8.380 nan 0.000 0.510 189 M N 0.313 119.925 119.600 0.020 0.000 2.268 189 M HA 0.254 4.735 4.480 0.000 0.000 0.344 189 M C 0.824 177.212 176.300 0.146 0.000 1.106 189 M CA -0.613 54.736 55.300 0.082 0.000 1.010 189 M CB 1.675 34.325 32.600 0.082 0.000 1.649 189 M HN -0.197 nan 8.290 nan 0.000 0.443 190 D N 1.707 122.160 120.400 0.088 0.000 2.213 190 D HA 0.273 4.913 4.640 0.000 0.000 0.205 190 D C 0.213 176.514 176.300 0.002 0.000 0.961 190 D CA 0.790 54.811 54.000 0.035 0.000 0.853 190 D CB 0.772 41.578 40.800 0.009 0.000 0.967 190 D HN 0.706 nan 8.370 nan 0.000 0.496 191 A N -0.465 122.392 122.820 0.063 0.000 2.567 191 A HA 0.626 4.946 4.320 0.000 0.000 0.289 191 A C -1.624 176.060 177.584 0.167 0.000 1.177 191 A CA -0.518 51.544 52.037 0.042 0.000 0.694 191 A CB 1.431 20.417 19.000 -0.024 0.000 1.292 191 A HN -0.044 nan 8.150 nan 0.000 0.425 192 I N 1.911 122.564 120.570 0.138 0.000 2.476 192 I HA 0.281 4.452 4.170 0.000 0.000 0.281 192 I C -1.392 174.712 176.117 -0.021 0.000 1.040 192 I CA -0.135 61.252 61.300 0.145 0.000 1.094 192 I CB 1.428 39.563 38.000 0.226 0.000 1.219 192 I HN 0.631 nan 8.210 nan 0.000 0.450 193 D N 6.731 127.058 120.400 -0.122 0.000 2.443 193 D HA 0.288 4.928 4.640 0.000 0.000 0.221 193 D C -0.705 175.436 176.300 -0.264 0.000 1.097 193 D CA -0.182 53.709 54.000 -0.181 0.000 0.865 193 D CB 1.669 42.358 40.800 -0.185 0.000 1.034 193 D HN 0.089 nan 8.370 nan 0.000 0.511 194 V N 4.314 124.096 119.914 -0.220 0.000 2.350 194 V HA 0.265 4.385 4.120 0.000 0.000 0.276 194 V C 0.324 176.302 176.094 -0.195 0.000 1.028 194 V CA -0.700 61.464 62.300 -0.226 0.000 0.860 194 V CB 1.631 33.354 31.823 -0.167 0.000 0.990 194 V HN 0.264 nan 8.190 nan 0.000 0.453 195 V N 6.635 126.424 119.914 -0.208 0.000 2.357 195 V HA 0.409 4.530 4.120 0.000 0.000 0.284 195 V C 0.702 176.726 176.094 -0.117 0.000 1.018 195 V CA -0.476 61.701 62.300 -0.204 0.000 0.841 195 V CB 1.488 33.173 31.823 -0.230 0.000 0.991 195 V HN 0.826 nan 8.190 nan 0.000 0.437 196 R N 2.450 122.900 120.500 -0.083 0.000 2.308 196 R HA 0.397 4.738 4.340 0.000 0.000 0.202 196 R C 0.825 177.104 176.300 -0.036 0.000 0.898 196 R CA 0.494 56.558 56.100 -0.061 0.000 1.046 196 R CB 1.017 31.284 30.300 -0.055 0.000 1.026 196 R HN 0.781 nan 8.270 nan 0.000 0.512 197 G N -0.667 108.138 108.800 0.007 0.000 2.513 197 G HA2 0.461 4.421 3.960 0.000 0.000 0.282 197 G HA3 0.461 4.421 3.960 0.000 0.000 0.282 197 G C -0.483 174.458 174.900 0.069 0.000 1.397 197 G CA -0.252 44.859 45.100 0.019 0.000 1.291 197 G HN 0.197 nan 8.290 nan 0.000 0.596 198 G N 0.239 109.043 108.800 0.006 0.000 3.030 198 G HA2 0.357 4.317 3.960 0.000 0.000 0.233 198 G HA3 0.357 4.317 3.960 0.000 0.000 0.233 198 G C 0.440 175.374 174.900 0.057 0.000 1.091 198 G CA -0.046 45.011 45.100 -0.071 0.000 1.113 198 G HN 1.605 nan 8.290 nan 0.000 0.556 199 G N 0.019 108.850 108.800 0.052 0.000 3.286 199 G HA2 0.659 4.620 3.960 0.000 0.000 0.303 199 G HA3 0.659 4.620 3.960 0.000 0.000 0.303 199 G C 1.344 176.305 174.900 0.102 0.000 0.974 199 G CA 1.496 46.679 45.100 0.137 0.000 1.635 199 G HN 2.163 nan 8.290 nan 0.000 0.535 200 A N 1.221 124.067 122.820 0.043 0.000 4.611 200 A HA -0.293 4.028 4.320 0.000 0.000 0.243 200 A C 1.811 179.331 177.584 -0.106 0.000 0.529 200 A CA 1.908 53.893 52.037 -0.087 0.000 1.084 200 A CB -1.535 17.291 19.000 -0.291 0.000 1.146 200 A HN 1.803 nan 8.150 nan 0.000 0.599 201 V N -1.812 118.043 119.914 -0.098 0.000 5.578 201 V HA -0.312 3.808 4.120 0.000 0.000 0.275 201 V C 1.233 177.131 176.094 -0.326 0.000 0.642 201 V CA 3.026 65.257 62.300 -0.117 0.000 0.613 201 V CB -2.073 29.746 31.823 -0.007 0.000 0.301 201 V HN 1.453 nan 8.190 nan 0.000 0.782 202 R N -1.718 118.399 120.500 -0.638 0.000 2.544 202 R HA 0.260 4.600 4.340 0.000 0.000 0.303 202 R C -0.190 175.509 176.300 -1.003 0.000 0.939 202 R CA 0.002 55.347 56.100 -1.258 0.000 1.102 202 R CB 0.711 30.493 30.300 -0.864 0.000 1.440 202 R HN 0.363 nan 8.270 nan 0.000 0.532 203 Y N -0.162 119.914 120.300 -0.373 0.000 2.350 203 Y HA 0.831 5.382 4.550 0.000 0.000 0.338 203 Y C 0.514 176.296 175.900 -0.198 0.000 0.961 203 Y CA -0.629 57.319 58.100 -0.253 0.000 1.100 203 Y CB 2.334 40.681 38.460 -0.189 0.000 1.179 203 Y HN 0.251 nan 8.280 nan 0.000 0.454 204 G N 2.523 111.318 108.800 -0.009 0.000 2.489 204 G HA2 0.337 4.297 3.960 0.000 0.000 0.305 204 G HA3 0.337 4.297 3.960 0.000 0.000 0.305 204 G C -2.642 172.205 174.900 -0.088 0.000 1.311 204 G CA -0.929 44.153 45.100 -0.029 0.000 0.813 204 G HN 0.255 nan 8.290 nan 0.000 0.480 205 P HA 0.088 nan 4.420 nan 0.000 0.224 205 P C 0.260 177.583 177.300 0.038 0.000 1.159 205 P CA 0.579 63.726 63.100 0.079 0.000 0.824 205 P CB 0.656 32.530 31.700 0.290 0.000 0.833 206 Q N 1.171 120.903 119.800 -0.114 0.000 3.026 206 Q HA 0.141 4.482 4.340 0.000 0.000 0.258 206 Q C 0.663 176.594 176.000 -0.116 0.000 1.388 206 Q CA 0.159 55.884 55.803 -0.130 0.000 1.000 206 Q CB 0.113 28.727 28.738 -0.208 0.000 1.634 206 Q HN 0.276 nan 8.270 nan 0.000 0.571 207 S N -1.625 114.027 115.700 -0.079 0.000 2.540 207 S HA -0.013 4.457 4.470 0.000 0.000 0.218 207 S C 1.519 176.062 174.600 -0.095 0.000 0.977 207 S CA -0.116 58.032 58.200 -0.087 0.000 0.918 207 S CB 0.361 63.525 63.200 -0.060 0.000 0.806 207 S HN 0.345 nan 8.310 nan 0.000 0.496 208 V N 2.722 122.578 119.914 -0.096 0.000 2.380 208 V HA -0.016 4.104 4.120 0.000 0.000 0.251 208 V C 1.855 177.879 176.094 -0.117 0.000 1.063 208 V CA 2.209 64.441 62.300 -0.114 0.000 1.055 208 V CB -1.013 30.739 31.823 -0.119 0.000 0.657 208 V HN 0.650 nan 8.190 nan 0.000 0.455 209 G N -1.093 107.635 108.800 -0.119 0.000 3.440 209 G HA2 0.473 4.433 3.960 0.000 0.000 0.263 209 G HA3 0.473 4.433 3.960 0.000 0.000 0.263 209 G C 0.665 175.479 174.900 -0.143 0.000 1.236 209 G CA 0.493 45.482 45.100 -0.186 0.000 0.927 209 G HN 1.382 nan 8.290 nan 0.000 0.530 210 G N -1.320 107.413 108.800 -0.111 0.000 2.785 210 G HA2 0.081 4.041 3.960 0.000 0.000 0.685 210 G HA3 0.081 4.041 3.960 0.000 0.000 0.685 210 G C -0.379 174.470 174.900 -0.086 0.000 1.480 210 G CA -0.254 44.798 45.100 -0.080 0.000 0.915 210 G HN 1.249 nan 8.290 nan 0.000 0.576 211 V N 1.642 121.462 119.914 -0.156 0.000 2.435 211 V HA 0.747 4.868 4.120 0.000 0.000 0.290 211 V C 0.111 175.993 176.094 -0.354 0.000 1.030 211 V CA -0.536 61.600 62.300 -0.273 0.000 0.881 211 V CB 1.678 33.273 31.823 -0.379 0.000 0.983 211 V HN 1.258 nan 8.190 nan 0.000 0.445 212 V N 6.534 126.180 119.914 -0.446 0.000 2.378 212 V HA 0.469 4.589 4.120 0.000 0.000 0.288 212 V C -0.266 175.361 176.094 -0.779 0.000 1.016 212 V CA -0.556 61.368 62.300 -0.628 0.000 0.840 212 V CB 1.619 32.950 31.823 -0.820 0.000 0.994 212 V HN 0.985 nan 8.190 nan 0.000 0.431 213 N N 4.568 122.877 118.700 -0.652 0.000 2.476 213 N HA 0.475 5.216 4.740 0.000 0.000 0.257 213 N C -1.141 174.126 175.510 -0.405 0.000 0.970 213 N CA -0.412 52.313 53.050 -0.542 0.000 0.938 213 N CB 0.718 38.979 38.487 -0.376 0.000 1.144 213 N HN 0.324 nan 8.380 nan 0.000 0.500 214 F N 2.662 122.513 119.950 -0.166 0.000 2.445 214 F HA 0.262 4.789 4.527 0.000 0.000 0.359 214 F C 0.395 176.148 175.800 -0.078 0.000 1.101 214 F CA -0.853 57.077 58.000 -0.117 0.000 1.177 214 F CB 0.736 39.661 39.000 -0.125 0.000 1.110 214 F HN 0.091 nan 8.300 nan 0.000 0.522 215 V N 3.680 123.671 119.914 0.128 0.000 2.368 215 V HA 0.179 4.299 4.120 0.000 0.000 0.266 215 V C 0.453 176.591 176.094 0.073 0.000 1.045 215 V CA -0.884 61.456 62.300 0.067 0.000 0.899 215 V CB 0.561 32.404 31.823 0.033 0.000 1.006 215 V HN 0.895 nan 8.190 nan 0.000 0.470 216 T N 2.754 117.344 114.554 0.060 0.000 2.903 216 T HA 0.414 4.764 4.350 0.000 0.000 0.314 216 T C 0.550 175.277 174.700 0.044 0.000 1.078 216 T CA -0.246 61.885 62.100 0.052 0.000 1.114 216 T CB 0.296 69.195 68.868 0.052 0.000 0.987 216 T HN 0.968 nan 8.240 nan 0.000 0.548 217 R N 1.129 121.653 120.500 0.040 0.000 2.489 217 R HA 0.631 4.972 4.340 0.000 0.000 0.287 217 R C 0.892 177.210 176.300 0.029 0.000 1.053 217 R CA -0.159 55.960 56.100 0.030 0.000 1.036 217 R CB -1.150 29.166 30.300 0.027 0.000 0.966 217 R HN 1.352 nan 8.270 nan 0.000 0.432 218 A N 3.322 126.154 122.820 0.020 0.000 2.498 218 A HA 0.455 4.776 4.320 0.000 0.000 0.239 218 A C 0.605 178.202 177.584 0.022 0.000 1.068 218 A CA -0.395 51.655 52.037 0.021 0.000 0.766 218 A CB 0.088 19.095 19.000 0.012 0.000 1.003 218 A HN 0.771 nan 8.150 nan 0.000 0.497 219 I N 2.029 122.616 120.570 0.028 0.000 2.892 219 I HA 0.115 4.286 4.170 0.000 0.000 0.287 219 I C -2.043 174.089 176.117 0.024 0.000 1.205 219 I CA -1.824 59.496 61.300 0.033 0.000 1.409 219 I CB -0.318 37.697 38.000 0.025 0.000 1.367 219 I HN 0.367 nan 8.210 nan 0.000 0.597 220 P HA 0.167 nan 4.420 nan 0.000 0.276 220 P C 0.390 177.701 177.300 0.019 0.000 1.253 220 P CA -0.215 62.881 63.100 -0.007 0.000 0.766 220 P CB 0.567 32.227 31.700 -0.066 0.000 0.845 221 Q N 2.154 121.958 119.800 0.007 0.000 2.096 221 Q HA -0.144 4.196 4.340 0.000 0.000 0.208 221 Q C 0.587 176.611 176.000 0.040 0.000 0.993 221 Q CA 2.151 57.968 55.803 0.023 0.000 0.862 221 Q CB -0.308 28.438 28.738 0.014 0.000 0.915 221 Q HN 0.685 nan 8.270 nan 0.000 0.416 222 D N -0.373 120.044 120.400 0.028 0.000 2.479 222 D HA 0.297 4.938 4.640 0.000 0.000 0.246 222 D C -0.986 175.331 176.300 0.027 0.000 1.336 222 D CA -0.690 53.343 54.000 0.054 0.000 0.967 222 D CB 0.172 40.996 40.800 0.040 0.000 1.275 222 D HN 0.143 nan 8.370 nan 0.000 0.577 223 F N 2.047 122.012 119.950 0.024 0.000 2.338 223 F HA 0.307 4.835 4.527 0.000 0.000 0.423 223 F C 1.000 176.823 175.800 0.037 0.000 0.916 223 F CA 1.610 59.626 58.000 0.027 0.000 1.136 223 F CB 0.205 39.222 39.000 0.028 0.000 0.872 223 F HN 0.587 nan 8.300 nan 0.000 0.538 224 G N 6.114 113.950 108.800 -1.606 0.000 2.690 224 G HA2 0.659 4.619 3.960 0.000 0.000 0.291 224 G HA3 0.659 4.619 3.960 0.000 0.000 0.291 224 G C -1.784 172.451 174.900 -1.108 0.000 1.403 224 G CA -0.928 43.545 45.100 -1.045 0.000 0.864 224 G HN 0.692 nan 8.290 nan 0.000 0.480 225 I N 0.284 120.613 120.570 -0.402 0.000 2.582 225 I HA 0.447 4.617 4.170 0.000 0.000 0.292 225 I C -0.394 175.671 176.117 -0.087 0.000 1.066 225 I CA -0.622 60.615 61.300 -0.105 0.000 1.053 225 I CB 2.601 40.697 38.000 0.158 0.000 1.241 225 I HN 0.512 nan 8.210 nan 0.000 0.421 226 E N 3.653 123.808 120.200 -0.075 0.000 2.404 226 E HA 0.921 5.271 4.350 0.000 0.000 0.264 226 E C -1.259 175.280 176.600 -0.101 0.000 0.946 226 E CA -1.241 55.097 56.400 -0.103 0.000 0.806 226 E CB 2.758 32.417 29.700 -0.069 0.000 1.334 226 E HN 0.650 nan 8.360 nan 0.000 0.429 227 A N 0.094 122.848 122.820 -0.110 0.000 2.599 227 A HA 0.578 4.898 4.320 0.000 0.000 0.306 227 A C -0.959 176.573 177.584 -0.087 0.000 1.014 227 A CA -0.150 51.835 52.037 -0.085 0.000 0.784 227 A CB 0.943 19.876 19.000 -0.111 0.000 1.229 227 A HN 0.642 nan 8.150 nan 0.000 0.398 228 G N -0.812 107.957 108.800 -0.050 0.000 2.733 228 G HA2 0.912 4.873 3.960 0.000 0.000 0.288 228 G HA3 0.912 4.873 3.960 0.000 0.000 0.288 228 G C -1.403 173.484 174.900 -0.021 0.000 1.373 228 G CA -0.313 44.758 45.100 -0.048 0.000 0.895 228 G HN 2.085 nan 8.290 nan 0.000 0.479 229 V N -0.744 119.153 119.914 -0.028 0.000 3.023 229 V HA 0.747 4.867 4.120 0.000 0.000 0.294 229 V C -1.698 174.378 176.094 -0.030 0.000 1.324 229 V CA -0.678 61.620 62.300 -0.003 0.000 0.979 229 V CB 2.033 33.853 31.823 -0.005 0.000 1.093 229 V HN 0.997 nan 8.190 nan 0.000 0.434 230 E N 3.267 123.453 120.200 -0.024 0.000 2.314 230 E HA 0.770 5.120 4.350 0.000 0.000 0.272 230 E C -0.656 175.938 176.600 -0.009 0.000 0.884 230 E CA -0.317 56.066 56.400 -0.027 0.000 0.753 230 E CB 2.300 31.968 29.700 -0.052 0.000 1.213 230 E HN 1.023 nan 8.360 nan 0.000 0.432 231 G N 2.241 111.048 108.800 0.011 0.000 2.498 231 G HA2 0.577 4.537 3.960 0.000 0.000 0.312 231 G HA3 0.577 4.537 3.960 0.000 0.000 0.312 231 G C -1.283 173.663 174.900 0.076 0.000 1.230 231 G CA -0.422 44.694 45.100 0.027 0.000 0.968 231 G HN 0.462 nan 8.290 nan 0.000 0.481 232 Q N -0.154 119.690 119.800 0.073 0.000 2.340 232 Q HA 0.601 4.941 4.340 0.000 0.000 0.276 232 Q C -1.426 174.626 176.000 0.087 0.000 1.048 232 Q CA -0.654 55.216 55.803 0.112 0.000 0.832 232 Q CB 3.230 32.037 28.738 0.116 0.000 1.373 232 Q HN 0.379 nan 8.270 nan 0.000 0.409 233 L N 0.809 122.084 121.223 0.087 0.000 2.445 233 L HA 0.581 4.921 4.340 0.000 0.000 0.262 233 L C -0.921 175.975 176.870 0.044 0.000 0.974 233 L CA -0.707 54.165 54.840 0.053 0.000 0.822 233 L CB 2.670 44.745 42.059 0.026 0.000 1.339 233 L HN 0.607 nan 8.230 nan 0.000 0.409 234 S N 2.624 118.332 115.700 0.013 0.000 2.406 234 S HA 0.275 4.745 4.470 0.000 0.000 0.224 234 S C -1.979 172.541 174.600 -0.134 0.000 1.426 234 S CA -1.036 57.141 58.200 -0.039 0.000 1.179 234 S CB 1.425 64.624 63.200 -0.002 0.000 1.042 234 S HN 0.419 nan 8.310 nan 0.000 0.479 235 P HA -0.273 nan 4.420 nan 0.000 0.214 235 P C 1.992 179.172 177.300 -0.200 0.000 1.164 235 P CA 2.170 65.200 63.100 -0.116 0.000 0.942 235 P CB -0.347 31.316 31.700 -0.063 0.000 0.791 236 T N -3.474 110.963 114.554 -0.195 0.000 2.836 236 T HA -0.163 4.187 4.350 0.000 0.000 0.268 236 T C 1.158 175.475 174.700 -0.639 0.000 1.080 236 T CA 1.206 63.176 62.100 -0.217 0.000 1.128 236 T CB -1.050 67.812 68.868 -0.009 0.000 0.839 236 T HN 0.140 nan 8.240 nan 0.000 0.507 237 S N 0.787 115.855 115.700 -1.054 0.000 2.603 237 S HA 0.360 4.830 4.470 0.000 0.000 0.268 237 S C 1.664 175.784 174.600 -0.799 0.000 1.317 237 S CA -0.121 57.043 58.200 -1.727 0.000 1.012 237 S CB 1.130 63.649 63.200 -1.135 0.000 0.926 237 S HN 0.586 nan 8.310 nan 0.000 0.539 238 S N 2.295 117.626 115.700 -0.615 0.000 2.387 238 S HA -0.085 4.385 4.470 0.000 0.000 0.226 238 S C 1.011 175.540 174.600 -0.120 0.000 1.026 238 S CA 0.654 58.746 58.200 -0.181 0.000 0.972 238 S CB -0.510 62.706 63.200 0.026 0.000 0.814 238 S HN 0.778 nan 8.310 nan 0.000 0.477 239 Q N 2.757 122.492 119.800 -0.108 0.000 2.388 239 Q HA 0.238 4.579 4.340 0.000 0.000 0.246 239 Q C -0.164 175.793 176.000 -0.071 0.000 1.246 239 Q CA 0.425 56.197 55.803 -0.051 0.000 0.895 239 Q CB -1.345 27.386 28.738 -0.011 0.000 1.510 239 Q HN 0.615 nan 8.270 nan 0.000 0.503 240 N N 2.941 121.606 118.700 -0.058 0.000 2.398 240 N HA 0.020 4.761 4.740 0.000 0.000 0.188 240 N C -0.457 175.038 175.510 -0.024 0.000 1.122 240 N CA -0.286 52.734 53.050 -0.050 0.000 0.866 240 N CB 0.303 38.762 38.487 -0.046 0.000 0.970 240 N HN 0.468 nan 8.380 nan 0.000 0.462 241 N N 1.918 120.609 118.700 -0.016 0.000 2.530 241 N HA 0.173 4.913 4.740 0.000 0.000 0.273 241 N C -2.503 173.007 175.510 0.001 0.000 1.173 241 N CA -0.897 52.149 53.050 -0.007 0.000 0.967 241 N CB 0.882 39.365 38.487 -0.007 0.000 1.109 241 N HN 0.004 nan 8.380 nan 0.000 0.453 242 P HA 0.248 nan 4.420 nan 0.000 0.279 242 P C -0.757 176.553 177.300 0.017 0.000 1.252 242 P CA -0.437 62.673 63.100 0.018 0.000 0.811 242 P CB 0.890 32.601 31.700 0.018 0.000 1.035 243 K N 1.568 121.983 120.400 0.026 0.000 2.316 243 K HA 0.349 4.669 4.320 0.000 0.000 0.267 243 K C -0.550 176.055 176.600 0.009 0.000 1.025 243 K CA -0.487 55.808 56.287 0.014 0.000 0.896 243 K CB 0.447 32.960 32.500 0.023 0.000 1.124 243 K HN 0.396 nan 8.250 nan 0.000 0.451 244 E N 2.106 122.309 120.200 0.005 0.000 2.207 244 E HA 0.487 4.837 4.350 0.000 0.000 0.270 244 E C -1.008 175.577 176.600 -0.024 0.000 0.927 244 E CA -0.707 55.701 56.400 0.014 0.000 0.799 244 E CB 1.808 31.540 29.700 0.054 0.000 1.172 244 E HN 0.523 nan 8.360 nan 0.000 0.404 245 T N -0.111 114.415 114.554 -0.046 0.000 2.864 245 T HA 0.715 5.065 4.350 0.000 0.000 0.299 245 T C -0.812 173.806 174.700 -0.137 0.000 1.166 245 T CA -0.811 61.171 62.100 -0.197 0.000 1.007 245 T CB 1.267 70.017 68.868 -0.197 0.000 1.219 245 T HN 0.868 nan 8.240 nan 0.000 0.506 246 H N -0.265 118.715 119.070 -0.150 0.000 2.967 246 H HA 0.580 5.136 4.556 0.000 0.000 0.318 246 H C -1.740 173.462 175.328 -0.211 0.000 1.375 246 H CA -1.006 54.956 56.048 -0.144 0.000 1.132 246 H CB 1.264 30.970 29.762 -0.093 0.000 1.848 246 H HN 0.903 nan 8.280 nan 0.000 0.524 247 N N 1.061 119.770 118.700 0.014 0.000 2.308 247 N HA 0.414 5.154 4.740 0.000 0.000 0.283 247 N C -1.905 173.618 175.510 0.023 0.000 1.105 247 N CA -0.685 52.328 53.050 -0.062 0.000 0.840 247 N CB 3.283 41.717 38.487 -0.089 0.000 1.633 247 N HN 0.529 nan 8.380 nan 0.000 0.476 248 L N 1.078 122.343 121.223 0.070 0.000 2.410 248 L HA 0.893 5.233 4.340 0.000 0.000 0.270 248 L C -0.797 176.138 176.870 0.109 0.000 0.983 248 L CA -0.299 54.607 54.840 0.110 0.000 0.822 248 L CB 1.562 43.747 42.059 0.210 0.000 1.285 248 L HN 0.890 nan 8.230 nan 0.000 0.409 249 M N 4.528 124.173 119.600 0.075 0.000 2.395 249 M HA 0.876 5.356 4.480 0.000 0.000 0.307 249 M C -1.528 174.854 176.300 0.136 0.000 1.091 249 M CA -0.538 54.815 55.300 0.088 0.000 0.919 249 M CB 1.886 nan 32.600 nan 0.000 1.662 249 M HN 0.356 nan 8.290 nan 0.000 0.440 250 V N 2.400 122.441 119.914 0.212 0.000 2.624 250 V HA 0.900 5.021 4.120 0.000 0.000 0.294 250 V C -0.002 176.389 176.094 0.496 0.000 1.077 250 V CA -0.368 62.201 62.300 0.447 0.000 0.905 250 V CB 1.318 33.342 31.823 0.334 0.000 1.025 250 V HN 1.818 nan 8.190 nan 0.000 0.440 251 G N 2.084 111.362 108.800 0.796 0.000 2.733 251 G HA2 0.747 4.708 3.960 0.000 0.000 0.297 251 G HA3 0.747 4.708 3.960 0.000 0.000 0.297 251 G C -0.577 174.723 174.900 0.666 0.000 1.452 251 G CA 0.231 45.616 45.100 0.475 0.000 0.940 251 G HN 1.034 nan 8.290 nan 0.000 0.547 252 G N -1.002 108.074 108.800 0.459 0.000 3.176 252 G HA2 0.780 4.740 3.960 0.000 0.000 0.272 252 G HA3 0.780 4.740 3.960 0.000 0.000 0.272 252 G C -1.115 173.865 174.900 0.133 0.000 1.349 252 G CA -0.583 44.736 45.100 0.366 0.000 0.953 252 G HN 0.857 nan 8.290 nan 0.000 0.559 253 T N 0.474 115.097 114.554 0.115 0.000 3.050 253 T HA 0.627 4.977 4.350 0.000 0.000 0.310 253 T C 0.310 175.068 174.700 0.097 0.000 0.978 253 T CA 0.053 62.196 62.100 0.071 0.000 1.013 253 T CB 1.133 70.042 68.868 0.068 0.000 1.000 253 T HN 0.987 nan 8.240 nan 0.000 0.447 254 A N 2.305 125.192 122.820 0.112 0.000 2.429 254 A HA 0.286 4.606 4.320 0.000 0.000 0.242 254 A C 1.028 178.690 177.584 0.130 0.000 1.088 254 A CA -0.040 52.076 52.037 0.132 0.000 0.784 254 A CB -0.032 19.076 19.000 0.179 0.000 1.038 254 A HN 0.869 nan 8.150 nan 0.000 0.501 255 D N -0.114 120.352 120.400 0.110 0.000 2.178 255 D HA -0.128 4.512 4.640 0.000 0.000 0.202 255 D C 1.246 177.617 176.300 0.117 0.000 0.974 255 D CA 1.664 55.723 54.000 0.098 0.000 0.841 255 D CB -0.180 40.666 40.800 0.077 0.000 0.953 255 D HN 0.760 nan 8.370 nan 0.000 0.478 256 N N 0.131 118.915 118.700 0.140 0.000 2.626 256 N HA 0.011 4.751 4.740 0.000 0.000 0.193 256 N C 1.243 176.906 175.510 0.254 0.000 1.213 256 N CA 0.834 53.986 53.050 0.170 0.000 0.914 256 N CB -0.226 38.353 38.487 0.154 0.000 0.994 256 N HN 0.154 nan 8.380 nan 0.000 0.447 257 G N -1.260 107.679 108.800 0.233 0.000 2.148 257 G HA2 -0.295 3.665 3.960 0.000 0.000 0.254 257 G HA3 -0.295 3.665 3.960 0.000 0.000 0.254 257 G C -0.461 174.690 174.900 0.419 0.000 0.981 257 G CA 0.263 45.518 45.100 0.258 0.000 0.670 257 G HN 0.491 nan 8.290 nan 0.000 0.528 258 F N 2.191 122.282 119.950 0.235 0.000 2.332 258 F HA 0.657 5.184 4.527 0.000 0.000 0.368 258 F C 0.589 176.465 175.800 0.127 0.000 1.110 258 F CA -0.638 57.485 58.000 0.205 0.000 1.087 258 F CB 0.816 39.835 39.000 0.032 0.000 1.235 258 F HN 0.252 nan 8.300 nan 0.000 0.470 259 G N 3.026 111.620 108.800 -0.343 0.000 2.471 259 G HA2 0.654 4.615 3.960 0.000 0.000 0.332 259 G HA3 0.654 4.615 3.960 0.000 0.000 0.332 259 G C -1.257 173.310 174.900 -0.554 0.000 1.176 259 G CA -0.608 44.289 45.100 -0.339 0.000 0.949 259 G HN 0.623 nan 8.290 nan 0.000 0.488 260 T N -1.217 113.159 114.554 -0.296 0.000 2.830 260 T HA 0.673 5.023 4.350 0.000 0.000 0.322 260 T C -0.957 173.722 174.700 -0.035 0.000 1.501 260 T CA 0.327 62.307 62.100 -0.200 0.000 1.036 260 T CB 1.699 70.422 68.868 -0.242 0.000 1.379 260 T HN 1.494 nan 8.240 nan 0.000 0.493 261 A N 1.854 124.683 122.820 0.016 0.000 2.609 261 A HA 0.830 5.150 4.320 0.000 0.000 0.291 261 A C -2.030 175.602 177.584 0.081 0.000 1.096 261 A CA -0.610 51.475 52.037 0.081 0.000 0.684 261 A CB 1.593 20.648 19.000 0.093 0.000 1.282 261 A HN 0.691 nan 8.150 nan 0.000 0.412 262 L N 2.121 123.408 121.223 0.107 0.000 2.294 262 L HA 0.551 4.891 4.340 0.000 0.000 0.283 262 L C -1.476 175.469 176.870 0.126 0.000 1.015 262 L CA -0.382 54.521 54.840 0.106 0.000 0.831 262 L CB 0.391 42.508 42.059 0.097 0.000 1.217 262 L HN 0.692 nan 8.230 nan 0.000 0.420 263 L N 6.864 128.161 121.223 0.124 0.000 2.283 263 L HA 0.321 4.662 4.340 0.000 0.000 0.281 263 L C -1.115 175.854 176.870 0.166 0.000 1.033 263 L CA -0.526 54.384 54.840 0.117 0.000 0.848 263 L CB 1.036 43.144 42.059 0.082 0.000 1.226 263 L HN 0.522 nan 8.230 nan 0.000 0.429 264 Y N 3.012 123.330 120.300 0.031 0.000 2.446 264 Y HA 0.653 5.203 4.550 0.000 0.000 0.345 264 Y C -0.562 175.339 175.900 0.002 0.000 0.984 264 Y CA -0.732 57.380 58.100 0.021 0.000 1.058 264 Y CB 2.190 40.674 38.460 0.041 0.000 1.220 264 Y HN 0.410 nan 8.280 nan 0.000 0.455 265 S N 2.920 118.066 115.700 -0.922 0.000 2.536 265 S HA 0.877 5.347 4.470 0.000 0.000 0.271 265 S C -0.847 173.090 174.600 -1.105 0.000 1.134 265 S CA -0.025 57.662 58.200 -0.855 0.000 0.897 265 S CB 1.288 64.234 63.200 -0.423 0.000 1.094 265 S HN 1.279 nan 8.310 nan 0.000 0.473 266 G N 0.972 109.161 108.800 -1.018 0.000 2.725 266 G HA2 0.750 4.711 3.960 0.000 0.000 0.288 266 G HA3 0.750 4.711 3.960 0.000 0.000 0.288 266 G C -1.534 172.922 174.900 -0.740 0.000 1.399 266 G CA -0.522 44.080 45.100 -0.830 0.000 0.859 266 G HN 0.712 nan 8.290 nan 0.000 0.479 267 T N 0.703 115.004 114.554 -0.421 0.000 3.105 267 T HA 0.616 4.966 4.350 0.000 0.000 0.321 267 T C -1.035 173.598 174.700 -0.111 0.000 1.135 267 T CA -0.695 61.250 62.100 -0.258 0.000 1.053 267 T CB 1.702 70.455 68.868 -0.192 0.000 1.133 267 T HN 0.468 nan 8.240 nan 0.000 0.463 268 R N 1.469 121.940 120.500 -0.049 0.000 2.604 268 R HA 0.862 5.202 4.340 0.000 0.000 0.281 268 R C 0.056 176.353 176.300 -0.005 0.000 1.020 268 R CA -0.583 55.517 56.100 0.001 0.000 0.899 268 R CB 1.916 32.250 30.300 0.056 0.000 1.205 268 R HN 1.091 nan 8.270 nan 0.000 0.450 269 G N 0.254 109.047 108.800 -0.011 0.000 2.315 269 G HA2 0.061 4.021 3.960 0.000 0.000 0.296 269 G HA3 0.061 4.021 3.960 0.000 0.000 0.296 269 G C -1.535 173.350 174.900 -0.026 0.000 1.289 269 G CA -0.746 44.347 45.100 -0.012 0.000 0.996 269 G HN 0.474 nan 8.290 nan 0.000 0.487 270 S N 0.337 116.023 115.700 -0.024 0.000 2.543 270 S HA 0.605 5.075 4.470 0.000 0.000 0.271 270 S C -0.365 174.214 174.600 -0.035 0.000 1.148 270 S CA -0.086 58.087 58.200 -0.045 0.000 0.914 270 S CB 1.850 65.023 63.200 -0.044 0.000 1.096 270 S HN 1.129 nan 8.310 nan 0.000 0.471 271 D N 0.638 120.982 120.400 -0.094 0.000 2.403 271 D HA 0.140 4.780 4.640 0.000 0.000 0.278 271 D C 1.217 177.503 176.300 -0.023 0.000 1.230 271 D CA -0.516 53.445 54.000 -0.066 0.000 1.062 271 D CB -0.057 40.538 40.800 -0.341 0.000 1.119 271 D HN 0.703 nan 8.370 nan 0.000 0.557 272 W N -1.764 119.564 121.300 0.047 0.000 2.961 272 W HA 0.219 4.879 4.660 0.000 0.000 0.240 272 W C 0.030 176.650 176.519 0.167 0.000 1.305 272 W CA -0.622 56.749 57.345 0.043 0.000 1.465 272 W CB -0.049 29.465 29.460 0.090 0.000 1.135 272 W HN -0.210 nan 8.180 nan 0.000 0.688 273 R N 1.961 122.289 120.500 -0.287 0.000 2.589 273 R HA 0.211 4.551 4.340 0.000 0.000 0.293 273 R C 0.391 176.668 176.300 -0.038 0.000 0.963 273 R CA -0.840 55.191 56.100 -0.115 0.000 0.905 273 R CB 1.135 31.253 30.300 -0.303 0.000 1.144 273 R HN 0.017 nan 8.270 nan 0.000 0.459 274 E N 0.598 120.834 120.200 0.059 0.000 2.428 274 E HA -0.050 4.300 4.350 0.000 0.000 0.257 274 E C 0.186 176.843 176.600 0.094 0.000 1.197 274 E CA 0.126 56.566 56.400 0.068 0.000 0.974 274 E CB 0.132 29.888 29.700 0.093 0.000 0.976 274 E HN 0.602 nan 8.360 nan 0.000 0.463 275 H N -0.487 118.573 119.070 -0.016 0.000 2.626 275 H HA -0.210 4.346 4.556 0.000 0.000 0.317 275 H C 0.184 175.506 175.328 -0.010 0.000 1.140 275 H CA 0.944 56.987 56.048 -0.009 0.000 1.134 275 H CB -1.160 28.594 29.762 -0.014 0.000 1.486 275 H HN 0.307 nan 8.280 nan 0.000 0.417 276 S N -0.825 114.781 115.700 -0.156 0.000 2.666 276 S HA 0.536 5.006 4.470 0.000 0.000 0.239 276 S C 1.027 175.550 174.600 -0.128 0.000 1.031 276 S CA -0.003 58.104 58.200 -0.156 0.000 1.015 276 S CB 0.378 63.490 63.200 -0.147 0.000 0.981 276 S HN 0.896 nan 8.310 nan 0.000 0.547 277 A N 1.691 124.437 122.820 -0.125 0.000 2.608 277 A HA 0.386 4.706 4.320 0.000 0.000 0.246 277 A C 0.296 177.845 177.584 -0.058 0.000 0.998 277 A CA 0.727 52.718 52.037 -0.077 0.000 0.796 277 A CB -0.439 18.519 19.000 -0.071 0.000 0.895 277 A HN 0.468 nan 8.150 nan 0.000 0.508 278 T N 3.732 118.264 114.554 -0.035 0.000 2.916 278 T HA 0.567 4.918 4.350 0.000 0.000 0.298 278 T C -0.338 174.352 174.700 -0.015 0.000 1.031 278 T CA -0.641 61.450 62.100 -0.016 0.000 0.993 278 T CB 1.259 70.118 68.868 -0.015 0.000 1.045 278 T HN 0.645 nan 8.240 nan 0.000 0.454 279 R N 3.557 124.053 120.500 -0.006 0.000 2.435 279 R HA 0.508 4.848 4.340 0.000 0.000 0.308 279 R C -1.635 174.647 176.300 -0.030 0.000 0.975 279 R CA -0.619 55.473 56.100 -0.013 0.000 0.867 279 R CB 0.584 30.881 30.300 -0.006 0.000 1.171 279 R HN 0.531 nan 8.270 nan 0.000 0.470 280 I N 3.674 124.199 120.570 -0.075 0.000 2.499 280 I HA 0.341 4.512 4.170 0.000 0.000 0.288 280 I C -0.826 175.173 176.117 -0.195 0.000 1.048 280 I CA -0.593 60.608 61.300 -0.164 0.000 1.062 280 I CB 2.229 40.119 38.000 -0.184 0.000 1.238 280 I HN 0.425 nan 8.210 nan 0.000 0.426 281 D N 4.661 124.920 120.400 -0.235 0.000 2.542 281 D HA 0.226 4.866 4.640 0.000 0.000 0.252 281 D C -1.004 175.152 176.300 -0.240 0.000 1.222 281 D CA -0.185 53.791 54.000 -0.040 0.000 0.895 281 D CB 2.533 43.401 40.800 0.114 0.000 1.207 281 D HN 0.418 nan 8.370 nan 0.000 0.558 282 D N 2.718 122.991 120.400 -0.213 0.000 2.461 282 D HA 0.283 4.924 4.640 0.000 0.000 0.240 282 D C -1.265 175.103 176.300 0.112 0.000 1.094 282 D CA -0.616 53.248 54.000 -0.228 0.000 0.868 282 D CB 0.690 41.312 40.800 -0.298 0.000 1.062 282 D HN 0.072 nan 8.370 nan 0.000 0.530 283 L N 4.736 126.085 121.223 0.210 0.000 2.287 283 L HA 0.572 4.912 4.340 0.000 0.000 0.287 283 L C -1.126 175.872 176.870 0.213 0.000 1.022 283 L CA -0.225 54.782 54.840 0.277 0.000 0.814 283 L CB 0.960 43.178 42.059 0.264 0.000 1.217 283 L HN 0.460 nan 8.230 nan 0.000 0.420 284 M N 5.024 124.728 119.600 0.174 0.000 2.777 284 M HA 0.514 4.995 4.480 0.000 0.000 0.307 284 M C -1.450 174.926 176.300 0.127 0.000 1.228 284 M CA -0.966 54.420 55.300 0.143 0.000 0.871 284 M CB 2.270 34.939 32.600 0.114 0.000 1.721 284 M HN 0.476 nan 8.290 nan 0.000 0.487 285 L N 1.909 123.201 121.223 0.115 0.000 2.518 285 L HA 0.432 4.772 4.340 0.000 0.000 0.262 285 L C -0.930 175.996 176.870 0.092 0.000 0.982 285 L CA -0.037 54.861 54.840 0.097 0.000 0.873 285 L CB 1.169 43.286 42.059 0.096 0.000 1.198 285 L HN 0.579 nan 8.230 nan 0.000 0.427 286 K N 2.189 122.635 120.400 0.077 0.000 2.130 286 K HA 0.839 5.159 4.320 0.000 0.000 0.268 286 K C -0.746 175.877 176.600 0.038 0.000 0.983 286 K CA -0.283 56.045 56.287 0.069 0.000 0.893 286 K CB 1.145 33.684 32.500 0.064 0.000 1.066 286 K HN 0.652 nan 8.250 nan 0.000 0.450 287 S N 1.910 117.639 115.700 0.048 0.000 2.651 287 S HA 0.510 4.980 4.470 0.000 0.000 0.279 287 S C -1.692 172.943 174.600 0.059 0.000 1.148 287 S CA -0.945 57.251 58.200 -0.006 0.000 0.837 287 S CB 1.814 65.042 63.200 0.045 0.000 1.138 287 S HN 0.589 nan 8.310 nan 0.000 0.478 288 K N 1.224 121.649 120.400 0.042 0.000 2.610 288 K HA 0.240 4.561 4.320 0.000 0.000 0.274 288 K C -2.482 174.301 176.600 0.304 0.000 1.049 288 K CA -0.429 55.962 56.287 0.173 0.000 0.945 288 K CB 0.961 33.526 32.500 0.109 0.000 1.313 288 K HN 0.673 nan 8.250 nan 0.000 0.463 289 Y N 3.330 123.815 120.300 0.308 0.000 2.587 289 Y HA 0.588 5.139 4.550 0.000 0.000 0.328 289 Y C -1.192 174.908 175.900 0.332 0.000 0.980 289 Y CA -0.949 57.359 58.100 0.347 0.000 1.272 289 Y CB 1.344 39.990 38.460 0.309 0.000 1.094 289 Y HN 0.589 nan 8.280 nan 0.000 0.503 290 A N 9.467 132.340 122.820 0.088 0.000 2.644 290 A HA 0.422 4.742 4.320 0.000 0.000 0.343 290 A C -1.885 175.611 177.584 -0.146 0.000 1.324 290 A CA -1.370 50.656 52.037 -0.019 0.000 0.846 290 A CB 0.155 19.197 19.000 0.069 0.000 1.128 290 A HN 0.614 nan 8.150 nan 0.000 0.484 291 P HA -0.168 nan 4.420 nan 0.000 0.214 291 P C 0.133 177.396 177.300 -0.061 0.000 1.163 291 P CA 1.940 64.867 63.100 -0.288 0.000 0.883 291 P CB 0.170 31.616 31.700 -0.423 0.000 0.788 292 D N -1.098 119.281 120.400 -0.035 0.000 2.602 292 D HA 0.175 4.816 4.640 0.000 0.000 0.228 292 D C 0.609 176.924 176.300 0.025 0.000 1.202 292 D CA -0.578 53.430 54.000 0.015 0.000 1.084 292 D CB -0.154 40.664 40.800 0.031 0.000 1.204 292 D HN -0.049 nan 8.370 nan 0.000 0.629 293 E N -1.028 119.192 120.200 0.033 0.000 2.603 293 E HA 0.244 4.594 4.350 0.000 0.000 0.211 293 E C 0.466 177.084 176.600 0.030 0.000 0.995 293 E CA -0.043 56.376 56.400 0.031 0.000 0.990 293 E CB 1.343 31.061 29.700 0.029 0.000 1.036 293 E HN 0.175 nan 8.360 nan 0.000 0.475 294 V N -0.205 119.733 119.914 0.041 0.000 2.854 294 V HA 0.083 4.203 4.120 0.000 0.000 0.236 294 V C 1.067 177.185 176.094 0.040 0.000 1.157 294 V CA 1.246 63.571 62.300 0.042 0.000 1.187 294 V CB 0.051 31.913 31.823 0.064 0.000 0.949 294 V HN 0.457 nan 8.190 nan 0.000 0.488 295 H N -1.115 118.021 119.070 0.110 0.000 2.505 295 H HA 0.768 5.324 4.556 0.000 0.000 0.355 295 H C -0.015 175.426 175.328 0.189 0.000 1.179 295 H CA 0.424 56.608 56.048 0.227 0.000 1.343 295 H CB 1.397 nan 29.762 nan 0.000 1.501 295 H HN 0.255 nan 8.280 nan 0.000 0.569 296 T N 1.183 115.893 114.554 0.260 0.000 3.559 296 T HA 0.435 4.785 4.350 0.000 0.000 0.391 296 T C -2.186 172.743 174.700 0.382 0.000 1.522 296 T CA -0.500 61.784 62.100 0.307 0.000 1.159 296 T CB -0.072 68.854 68.868 0.097 0.000 1.384 296 T HN 0.561 nan 8.240 nan 0.000 0.475 297 F N 4.477 124.574 119.950 0.245 0.000 2.546 297 F HA 0.675 5.203 4.527 0.001 0.000 0.320 297 F C 0.486 176.434 175.800 0.248 0.000 1.076 297 F CA -1.204 56.982 58.000 0.310 0.000 0.928 297 F CB 1.856 41.087 39.000 0.385 0.000 1.189 297 F HN 0.588 nan 8.300 nan 0.000 0.465 298 N N 0.437 119.356 118.700 0.365 0.000 2.371 298 N HA 0.554 5.294 4.740 0.000 0.000 0.291 298 N C -1.618 174.037 175.510 0.242 0.000 1.053 298 N CA -0.595 52.608 53.050 0.255 0.000 0.870 298 N CB 2.211 40.798 38.487 0.166 0.000 1.503 298 N HN 0.546 nan 8.380 nan 0.000 0.485 299 S N 1.053 116.884 115.700 0.219 0.000 2.548 299 S HA 0.717 5.188 4.470 0.000 0.000 0.286 299 S C -1.070 173.627 174.600 0.161 0.000 1.098 299 S CA -0.831 57.490 58.200 0.202 0.000 0.930 299 S CB 1.905 65.240 63.200 0.224 0.000 1.070 299 S HN 0.520 nan 8.310 nan 0.000 0.480 300 L N 2.317 123.635 121.223 0.159 0.000 2.441 300 L HA 0.621 4.961 4.340 0.000 0.000 0.270 300 L C -1.721 175.239 176.870 0.149 0.000 0.973 300 L CA -0.673 54.251 54.840 0.139 0.000 0.842 300 L CB 1.377 43.508 42.059 0.122 0.000 1.239 300 L HN 0.886 nan 8.230 nan 0.000 0.406 301 L N 4.564 125.873 121.223 0.142 0.000 2.307 301 L HA 0.641 4.981 4.340 0.000 0.000 0.284 301 L C -0.553 176.411 176.870 0.157 0.000 1.023 301 L CA -0.438 54.495 54.840 0.154 0.000 0.810 301 L CB 1.895 44.041 42.059 0.145 0.000 1.231 301 L HN 0.680 nan 8.230 nan 0.000 0.423 302 Q N 2.820 122.726 119.800 0.176 0.000 2.305 302 Q HA 0.340 4.680 4.340 0.000 0.000 0.271 302 Q C -2.061 174.093 176.000 0.257 0.000 1.046 302 Q CA -0.702 55.216 55.803 0.191 0.000 0.798 302 Q CB 2.537 31.363 28.738 0.147 0.000 1.286 302 Q HN 0.529 nan 8.270 nan 0.000 0.435 303 Y N 4.174 124.550 120.300 0.127 0.000 2.326 303 Y HA 0.473 5.023 4.550 0.000 0.000 0.329 303 Y C -2.300 173.696 175.900 0.159 0.000 0.973 303 Y CA -0.817 57.361 58.100 0.130 0.000 1.162 303 Y CB 1.198 39.714 38.460 0.092 0.000 1.147 303 Y HN 0.696 nan 8.280 nan 0.000 0.456 304 Y N 6.147 126.174 120.300 -0.454 0.000 2.350 304 Y HA 0.533 5.083 4.550 0.001 0.000 0.338 304 Y C -1.483 174.107 175.900 -0.517 0.000 0.961 304 Y CA -1.030 56.856 58.100 -0.356 0.000 1.100 304 Y CB 1.151 39.512 38.460 -0.164 0.000 1.179 304 Y HN 0.676 nan 8.280 nan 0.000 0.454 305 D N 3.883 124.050 120.400 -0.388 0.000 2.686 305 D HA 0.552 5.193 4.640 0.000 0.000 0.249 305 D C -1.075 175.168 176.300 -0.096 0.000 1.260 305 D CA -0.106 53.782 54.000 -0.186 0.000 0.910 305 D CB 1.554 42.212 40.800 -0.237 0.000 1.323 305 D HN 0.867 nan 8.370 nan 0.000 0.561 306 G N 0.828 109.689 108.800 0.102 0.000 2.706 306 G HA2 0.698 4.658 3.960 0.000 0.000 0.297 306 G HA3 0.698 4.658 3.960 0.000 0.000 0.297 306 G C -1.282 173.718 174.900 0.168 0.000 1.403 306 G CA -0.321 44.843 45.100 0.107 0.000 0.954 306 G HN 0.521 nan 8.290 nan 0.000 0.500 307 E N -1.383 118.889 120.200 0.120 0.000 2.383 307 E HA 1.006 5.357 4.350 0.000 0.000 0.275 307 E C -0.744 175.916 176.600 0.100 0.000 0.918 307 E CA -0.702 55.791 56.400 0.155 0.000 0.764 307 E CB 2.088 31.834 29.700 0.078 0.000 1.252 307 E HN 2.392 nan 8.360 nan 0.000 0.449 308 A N 1.707 124.592 122.820 0.109 0.000 2.565 308 A HA 0.608 4.928 4.320 0.000 0.000 0.298 308 A C -1.646 175.956 177.584 0.031 0.000 1.062 308 A CA -0.796 51.270 52.037 0.048 0.000 0.723 308 A CB 1.307 20.342 19.000 0.057 0.000 1.282 308 A HN 0.539 nan 8.150 nan 0.000 0.400 309 D N 1.360 121.704 120.400 -0.093 0.000 2.341 309 D HA 0.514 5.155 4.640 0.000 0.000 0.245 309 D C -0.040 176.149 176.300 -0.187 0.000 1.106 309 D CA 0.589 54.402 54.000 -0.311 0.000 0.905 309 D CB 0.761 41.024 40.800 -0.895 0.000 1.202 309 D HN 0.482 nan 8.370 nan 0.000 0.426 310 M N 2.883 122.509 119.600 0.045 0.000 2.044 310 M HA 0.236 4.717 4.480 0.000 0.000 0.333 310 M C -1.806 174.678 176.300 0.306 0.000 1.004 310 M CA -1.724 53.703 55.300 0.211 0.000 0.954 310 M CB 2.161 34.935 32.600 0.290 0.000 1.468 310 M HN 0.073 nan 8.290 nan 0.000 0.414 311 P HA -0.109 nan 4.420 nan 0.000 0.211 311 P C 0.594 177.866 177.300 -0.047 0.000 1.181 311 P CA 1.547 64.684 63.100 0.061 0.000 0.929 311 P CB 0.078 31.733 31.700 -0.074 0.000 0.789 312 G N -2.171 106.526 108.800 -0.172 0.000 2.756 312 G HA2 0.178 4.138 3.960 0.000 0.000 0.678 312 G HA3 0.178 4.138 3.960 0.000 0.000 0.678 312 G C 0.189 174.438 174.900 -1.085 0.000 1.349 312 G CA -0.741 44.138 45.100 -0.367 0.000 0.847 312 G HN 0.472 nan 8.290 nan 0.000 0.548 313 G N -1.359 106.856 108.800 -0.974 0.000 2.563 313 G HA2 0.772 4.733 3.960 0.000 0.000 0.283 313 G HA3 0.772 4.733 3.960 0.000 0.000 0.283 313 G C -0.078 174.668 174.900 -0.258 0.000 1.309 313 G CA -0.425 44.277 45.100 -0.664 0.000 1.022 313 G HN 1.212 nan 8.290 nan 0.000 0.501 314 L N -0.698 120.438 121.223 -0.144 0.000 2.415 314 L HA 0.450 4.790 4.340 0.000 0.000 0.256 314 L C 0.504 177.335 176.870 -0.065 0.000 1.010 314 L CA -1.030 53.761 54.840 -0.080 0.000 0.826 314 L CB 2.068 44.111 42.059 -0.027 0.000 1.405 314 L HN 0.708 nan 8.230 nan 0.000 0.410 315 S N 0.304 115.980 115.700 -0.039 0.000 2.617 315 S HA 0.214 4.684 4.470 0.000 0.000 0.259 315 S C 0.892 175.472 174.600 -0.033 0.000 1.301 315 S CA -0.012 58.166 58.200 -0.037 0.000 0.984 315 S CB 1.526 64.714 63.200 -0.020 0.000 0.954 315 S HN 0.697 nan 8.310 nan 0.000 0.572 316 R N 1.413 121.888 120.500 -0.042 0.000 2.082 316 R HA 0.071 4.411 4.340 0.000 0.000 0.228 316 R C 2.682 179.007 176.300 0.042 0.000 1.140 316 R CA 2.317 58.406 56.100 -0.018 0.000 0.920 316 R CB -1.651 28.634 30.300 -0.024 0.000 0.828 316 R HN 0.887 nan 8.270 nan 0.000 0.430 317 A N 0.739 123.570 122.820 0.018 0.000 1.969 317 A HA -0.303 4.017 4.320 0.000 0.000 0.223 317 A C 1.891 179.483 177.584 0.014 0.000 1.218 317 A CA 2.469 54.516 52.037 0.015 0.000 0.667 317 A CB -0.935 18.068 19.000 0.005 0.000 0.826 317 A HN 0.526 nan 8.150 nan 0.000 0.472 318 D N -2.765 117.644 120.400 0.015 0.000 2.183 318 D HA -0.054 4.587 4.640 0.000 0.000 0.205 318 D C 1.703 178.009 176.300 0.010 0.000 0.962 318 D CA 1.222 55.223 54.000 0.003 0.000 0.849 318 D CB -0.297 40.499 40.800 -0.008 0.000 0.978 318 D HN 0.612 nan 8.370 nan 0.000 0.488 319 Y N 2.192 122.429 120.300 -0.105 0.000 2.145 319 Y HA -0.194 4.356 4.550 0.001 0.000 0.286 319 Y C 1.724 177.552 175.900 -0.120 0.000 1.145 319 Y CA 1.637 59.655 58.100 -0.136 0.000 1.148 319 Y CB -0.087 38.276 38.460 -0.162 0.000 0.981 319 Y HN -0.154 nan 8.280 nan 0.000 0.507 320 D N 0.071 120.479 120.400 0.013 0.000 2.218 320 D HA -0.157 4.483 4.640 0.000 0.000 0.204 320 D C 2.141 178.376 176.300 -0.108 0.000 0.976 320 D CA 1.248 55.212 54.000 -0.061 0.000 0.853 320 D CB -0.339 40.475 40.800 0.023 0.000 0.939 320 D HN 0.524 nan 8.370 nan 0.000 0.481 321 A N 0.042 122.813 122.820 -0.081 0.000 1.843 321 A HA -0.064 4.256 4.320 0.000 0.000 0.213 321 A C 0.951 178.475 177.584 -0.101 0.000 1.202 321 A CA 1.046 53.043 52.037 -0.066 0.000 0.607 321 A CB 0.280 19.258 19.000 -0.037 0.000 0.847 321 A HN 0.105 nan 8.150 nan 0.000 0.445 322 D N -1.873 118.443 120.400 -0.141 0.000 2.613 322 D HA 0.185 4.825 4.640 0.000 0.000 0.230 322 D C 0.676 176.802 176.300 -0.290 0.000 1.365 322 D CA -0.439 53.460 54.000 -0.168 0.000 0.976 322 D CB 0.862 41.641 40.800 -0.035 0.000 1.415 322 D HN 0.334 nan 8.370 nan 0.000 0.589 323 R N 2.123 122.260 120.500 -0.606 0.000 2.240 323 R HA 0.077 4.417 4.340 0.000 0.000 0.203 323 R C 0.889 176.901 176.300 -0.480 0.000 1.011 323 R CA 0.186 55.858 56.100 -0.712 0.000 1.007 323 R CB -0.107 29.462 30.300 -1.217 0.000 0.911 323 R HN 0.362 nan 8.270 nan 0.000 0.468 324 W N 3.087 124.382 121.300 -0.008 0.000 2.494 324 W HA 0.007 4.667 4.660 0.001 0.000 0.286 324 W C 1.094 177.616 176.519 0.006 0.000 1.218 324 W CA -0.336 57.035 57.345 0.042 0.000 1.313 324 W CB -0.057 29.431 29.460 0.048 0.000 1.105 324 W HN 0.161 nan 8.180 nan 0.000 0.561 325 Q N 1.496 121.385 119.800 0.149 0.000 2.726 325 Q HA 0.096 4.436 4.340 0.000 0.000 0.242 325 Q C 0.099 176.111 176.000 0.019 0.000 1.130 325 Q CA 0.421 56.269 55.803 0.074 0.000 1.031 325 Q CB 0.795 29.550 28.738 0.028 0.000 1.326 325 Q HN -0.080 nan 8.270 nan 0.000 0.572 326 S N -0.733 114.962 115.700 -0.008 0.000 2.541 326 S HA 0.426 4.897 4.470 0.000 0.000 0.280 326 S C -0.371 174.167 174.600 -0.103 0.000 1.112 326 S CA -0.163 58.003 58.200 -0.056 0.000 0.925 326 S CB 1.837 65.024 63.200 -0.023 0.000 1.067 326 S HN 0.779 nan 8.310 nan 0.000 0.479 327 T N 1.292 115.770 114.554 -0.126 0.000 3.266 327 T HA 0.446 4.797 4.350 0.000 0.000 0.278 327 T C -0.065 174.529 174.700 -0.178 0.000 1.010 327 T CA -0.582 61.435 62.100 -0.138 0.000 0.909 327 T CB -0.097 68.714 68.868 -0.095 0.000 1.122 327 T HN 0.443 nan 8.240 nan 0.000 0.536 328 R N 1.891 122.249 120.500 -0.236 0.000 2.629 328 R HA 0.279 4.619 4.340 0.000 0.000 0.277 328 R C -2.337 173.662 176.300 -0.502 0.000 1.637 328 R CA -1.730 54.217 56.100 -0.254 0.000 1.663 328 R CB 1.134 31.367 30.300 -0.112 0.000 1.228 328 R HN 0.237 nan 8.270 nan 0.000 0.632 329 P HA -0.153 nan 4.420 nan 0.000 0.216 329 P C -0.052 176.969 177.300 -0.465 0.000 1.150 329 P CA 1.319 64.008 63.100 -0.686 0.000 0.837 329 P CB 0.152 31.467 31.700 -0.642 0.000 0.786 330 Y N 0.171 120.412 120.300 -0.099 0.000 2.320 330 Y HA 0.610 5.161 4.550 0.000 0.000 0.324 330 Y C 0.157 176.112 175.900 0.092 0.000 1.190 330 Y CA -1.002 57.119 58.100 0.034 0.000 1.215 330 Y CB 0.423 38.897 38.460 0.022 0.000 1.221 330 Y HN -0.136 nan 8.280 nan 0.000 0.486 331 D N 1.053 121.692 120.400 0.398 0.000 2.790 331 D HA 0.148 4.788 4.640 0.000 0.000 0.114 331 D C -0.999 175.574 176.300 0.455 0.000 0.865 331 D CA -0.553 53.671 54.000 0.373 0.000 1.599 331 D CB 0.322 41.304 40.800 0.304 0.000 3.268 331 D HN 0.719 nan 8.370 nan 0.000 0.840 332 R N 2.126 122.862 120.500 0.393 0.000 2.664 332 R HA 0.714 5.054 4.340 0.000 0.000 0.266 332 R C -1.934 174.524 176.300 0.263 0.000 1.046 332 R CA -0.739 55.587 56.100 0.377 0.000 0.885 332 R CB 1.301 31.908 30.300 0.511 0.000 1.254 332 R HN 0.183 nan 8.270 nan 0.000 0.465 333 F N 3.485 123.421 119.950 -0.023 0.000 2.551 333 F HA 0.770 5.297 4.527 0.000 0.000 0.316 333 F C -1.564 174.185 175.800 -0.085 0.000 1.089 333 F CA -0.153 57.679 58.000 -0.280 0.000 0.915 333 F CB 1.488 40.056 39.000 -0.721 0.000 1.186 333 F HN 0.656 nan 8.300 nan 0.000 0.456 334 W N 3.705 124.554 121.300 -0.752 0.000 3.005 334 W HA 0.872 5.533 4.660 0.001 0.000 0.343 334 W C -1.169 175.033 176.519 -0.529 0.000 1.243 334 W CA -1.424 55.674 57.345 -0.411 0.000 1.186 334 W CB 1.030 30.329 29.460 -0.269 0.000 1.453 334 W HN 0.907 nan 8.180 nan 0.000 0.575 335 G N 1.069 109.885 108.800 0.027 0.000 2.361 335 G HA2 0.556 4.517 3.960 0.000 0.000 0.299 335 G HA3 0.556 4.517 3.960 0.000 0.000 0.299 335 G C -1.748 173.199 174.900 0.079 0.000 1.544 335 G CA -1.264 43.804 45.100 -0.052 0.000 0.860 335 G HN 0.891 nan 8.290 nan 0.000 0.610 336 R N -1.020 119.498 120.500 0.029 0.000 2.905 336 R HA 0.938 5.278 4.340 0.000 0.000 0.260 336 R C -0.733 175.551 176.300 -0.028 0.000 1.086 336 R CA -1.292 54.816 56.100 0.015 0.000 0.978 336 R CB 2.145 32.426 30.300 -0.032 0.000 1.215 336 R HN 0.692 nan 8.270 nan 0.000 0.480 337 R N 0.641 121.117 120.500 -0.041 0.000 2.535 337 R HA 0.340 4.680 4.340 0.000 0.000 0.274 337 R C -1.704 174.617 176.300 0.035 0.000 1.090 337 R CA -0.537 55.546 56.100 -0.028 0.000 0.930 337 R CB 1.774 32.028 30.300 -0.077 0.000 1.223 337 R HN 0.667 nan 8.270 nan 0.000 0.441 338 K N 4.810 125.255 120.400 0.075 0.000 2.483 338 K HA 0.411 4.731 4.320 0.000 0.000 0.256 338 K C -1.194 175.466 176.600 0.100 0.000 0.961 338 K CA -0.707 55.684 56.287 0.173 0.000 0.873 338 K CB 1.833 34.473 32.500 0.233 0.000 1.107 338 K HN 0.588 nan 8.250 nan 0.000 0.432 339 L N 1.841 123.142 121.223 0.130 0.000 2.346 339 L HA 0.765 5.105 4.340 0.000 0.000 0.274 339 L C -1.365 175.614 176.870 0.180 0.000 1.007 339 L CA -0.466 54.441 54.840 0.113 0.000 0.818 339 L CB 1.680 43.785 42.059 0.076 0.000 1.284 339 L HN 0.738 nan 8.230 nan 0.000 0.424 340 A N 2.881 125.838 122.820 0.228 0.000 2.374 340 A HA 0.718 5.039 4.320 0.000 0.000 0.305 340 A C -1.116 176.638 177.584 0.283 0.000 1.053 340 A CA -0.428 51.767 52.037 0.264 0.000 0.726 340 A CB 1.880 21.073 19.000 0.322 0.000 1.229 340 A HN 0.546 nan 8.150 nan 0.000 0.431 341 S N 2.032 117.876 115.700 0.241 0.000 2.677 341 S HA 0.672 5.143 4.470 0.000 0.000 0.283 341 S C -1.492 173.242 174.600 0.223 0.000 1.159 341 S CA -0.368 57.982 58.200 0.251 0.000 1.001 341 S CB 0.529 63.856 63.200 0.211 0.000 1.032 341 S HN 0.723 nan 8.310 nan 0.000 0.487 342 L N 4.326 125.684 121.223 0.225 0.000 2.356 342 L HA 0.861 5.202 4.340 0.000 0.000 0.277 342 L C 0.134 177.124 176.870 0.201 0.000 0.996 342 L CA -0.361 54.611 54.840 0.219 0.000 0.822 342 L CB 1.755 43.940 42.059 0.211 0.000 1.256 342 L HN 0.817 nan 8.230 nan 0.000 0.413 343 G N 2.067 110.987 108.800 0.200 0.000 2.667 343 G HA2 0.493 4.454 3.960 0.000 0.000 0.298 343 G HA3 0.493 4.454 3.960 0.000 0.000 0.298 343 G C -2.533 172.437 174.900 0.117 0.000 1.377 343 G CA -0.301 44.885 45.100 0.142 0.000 0.964 343 G HN 0.377 nan 8.290 nan 0.000 0.493 344 Y N 0.453 120.661 120.300 -0.154 0.000 2.576 344 Y HA 0.778 5.328 4.550 0.000 0.000 0.346 344 Y C -0.566 175.175 175.900 -0.265 0.000 1.018 344 Y CA -1.098 56.786 58.100 -0.360 0.000 1.050 344 Y CB 2.548 40.689 38.460 -0.531 0.000 1.280 344 Y HN 0.648 nan 8.280 nan 0.000 0.474 345 Q N 3.202 122.274 119.800 -1.213 0.000 2.315 345 Q HA 0.672 5.013 4.340 0.000 0.000 0.273 345 Q C -2.291 173.092 176.000 -1.028 0.000 1.053 345 Q CA -0.662 54.606 55.803 -0.891 0.000 0.817 345 Q CB 1.399 29.894 28.738 -0.404 0.000 1.326 345 Q HN 0.836 nan 8.270 nan 0.000 0.423 346 F N 2.816 122.480 119.950 -0.478 0.000 2.434 346 F HA 0.603 5.130 4.527 0.000 0.000 0.355 346 F C -0.952 174.853 175.800 0.008 0.000 1.115 346 F CA -0.523 57.398 58.000 -0.130 0.000 1.010 346 F CB 1.733 40.846 39.000 0.189 0.000 1.234 346 F HN 0.666 nan 8.300 nan 0.000 0.439 347 Q N 5.439 125.231 119.800 -0.013 0.000 2.616 347 Q HA 0.348 4.688 4.340 0.000 0.000 0.250 347 Q C -2.434 173.584 176.000 0.031 0.000 0.991 347 Q CA -1.760 54.053 55.803 0.018 0.000 0.707 347 Q CB 2.595 31.327 28.738 -0.010 0.000 1.247 347 Q HN 0.449 nan 8.270 nan 0.000 0.491 348 P HA -0.092 nan 4.420 nan 0.000 0.214 348 P C -0.605 176.710 177.300 0.026 0.000 1.162 348 P CA 1.200 64.309 63.100 0.015 0.000 0.874 348 P CB 0.351 32.028 31.700 -0.037 0.000 0.784 349 D N -2.855 117.577 120.400 0.054 0.000 2.727 349 D HA 0.238 4.878 4.640 0.000 0.000 0.264 349 D C -0.392 175.965 176.300 0.095 0.000 1.101 349 D CA -0.669 53.379 54.000 0.080 0.000 1.122 349 D CB -0.141 40.726 40.800 0.112 0.000 1.390 349 D HN -0.265 nan 8.370 nan 0.000 0.606 350 S N -1.938 113.812 115.700 0.083 0.000 2.667 350 S HA 0.418 4.888 4.470 0.000 0.000 0.251 350 S C 0.825 175.456 174.600 0.051 0.000 1.075 350 S CA 0.108 58.340 58.200 0.054 0.000 1.130 350 S CB -0.393 62.828 63.200 0.036 0.000 0.795 350 S HN 0.652 nan 8.310 nan 0.000 0.462 351 Q N 0.266 120.127 119.800 0.102 0.000 2.123 351 Q HA 0.265 4.605 4.340 0.000 0.000 0.244 351 Q C -0.267 175.615 176.000 -0.196 0.000 0.769 351 Q CA 0.204 56.000 55.803 -0.011 0.000 0.938 351 Q CB -0.045 nan 28.738 nan 0.000 1.170 351 Q HN 0.758 nan 8.270 nan 0.000 0.469 352 H N -0.358 118.686 119.070 -0.043 0.000 2.658 352 H HA 0.666 5.223 4.556 0.000 0.000 0.337 352 H C -1.308 173.936 175.328 -0.141 0.000 1.009 352 H CA -0.631 55.347 56.048 -0.116 0.000 1.231 352 H CB 1.791 31.559 29.762 0.010 0.000 1.508 352 H HN 0.230 nan 8.280 nan 0.000 0.517 353 K N 3.392 123.683 120.400 -0.183 0.000 2.545 353 K HA 0.340 4.660 4.320 0.000 0.000 0.252 353 K C -1.609 174.955 176.600 -0.059 0.000 0.948 353 K CA -0.811 55.415 56.287 -0.102 0.000 0.827 353 K CB 1.351 33.787 32.500 -0.107 0.000 1.128 353 K HN 0.371 nan 8.250 nan 0.000 0.429 354 F N 3.850 123.752 119.950 -0.079 0.000 2.427 354 F HA 0.487 5.015 4.527 0.000 0.000 0.346 354 F C -1.137 174.633 175.800 -0.050 0.000 1.120 354 F CA -0.687 57.329 58.000 0.026 0.000 1.033 354 F CB 1.054 40.137 39.000 0.139 0.000 1.126 354 F HN 0.484 nan 8.300 nan 0.000 0.462 355 N N 6.634 124.849 118.700 -0.809 0.000 2.295 355 N HA 0.561 5.301 4.740 0.000 0.000 0.293 355 N C -1.782 173.259 175.510 -0.782 0.000 1.040 355 N CA -0.609 52.033 53.050 -0.681 0.000 0.840 355 N CB 2.424 40.741 38.487 -0.284 0.000 1.468 355 N HN 0.517 nan 8.380 nan 0.000 0.478 356 I N 1.918 122.161 120.570 -0.543 0.000 2.563 356 I HA 0.257 4.427 4.170 0.000 0.000 0.285 356 I C -1.565 174.530 176.117 -0.037 0.000 1.123 356 I CA -0.266 60.891 61.300 -0.239 0.000 1.059 356 I CB 1.306 39.221 38.000 -0.142 0.000 1.229 356 I HN 0.667 nan 8.210 nan 0.000 0.442 357 Q N 5.994 125.815 119.800 0.035 0.000 2.356 357 Q HA 0.769 5.109 4.340 0.000 0.000 0.270 357 Q C -1.247 174.841 176.000 0.148 0.000 1.058 357 Q CA -0.694 55.173 55.803 0.108 0.000 0.802 357 Q CB 2.571 31.385 28.738 0.125 0.000 1.303 357 Q HN 0.824 nan 8.270 nan 0.000 0.444 358 G N 2.242 111.135 108.800 0.156 0.000 2.498 358 G HA2 0.778 4.738 3.960 0.000 0.000 0.312 358 G HA3 0.778 4.738 3.960 0.000 0.000 0.312 358 G C -1.423 173.587 174.900 0.184 0.000 1.230 358 G CA -0.711 44.435 45.100 0.077 0.000 0.968 358 G HN 0.602 nan 8.290 nan 0.000 0.481 359 F N -1.124 118.925 119.950 0.164 0.000 2.654 359 F HA 0.748 5.275 4.527 0.000 0.000 0.308 359 F C -2.033 173.920 175.800 0.255 0.000 1.108 359 F CA -2.115 55.994 58.000 0.181 0.000 0.957 359 F CB 1.807 40.882 39.000 0.125 0.000 1.309 359 F HN 0.573 nan 8.300 nan 0.000 0.446 360 Y N 1.802 122.329 120.300 0.379 0.000 2.354 360 Y HA 0.641 5.191 4.550 0.000 0.000 0.330 360 Y C -1.207 174.878 175.900 0.309 0.000 1.011 360 Y CA -0.858 57.425 58.100 0.304 0.000 1.099 360 Y CB 1.958 40.543 38.460 0.208 0.000 1.179 360 Y HN 0.943 nan 8.280 nan 0.000 0.442 361 T N 3.239 117.610 114.554 -0.305 0.000 2.809 361 T HA 0.365 4.715 4.350 0.000 0.000 0.284 361 T C -0.970 173.471 174.700 -0.431 0.000 0.992 361 T CA -0.865 61.057 62.100 -0.297 0.000 0.957 361 T CB 1.521 70.350 68.868 -0.065 0.000 0.942 361 T HN 0.746 nan 8.240 nan 0.000 0.439 362 Q N 2.742 122.310 119.800 -0.386 0.000 2.368 362 Q HA 0.503 4.843 4.340 0.000 0.000 0.256 362 Q C -1.175 174.724 176.000 -0.168 0.000 0.980 362 Q CA -0.429 55.212 55.803 -0.270 0.000 0.887 362 Q CB 0.861 29.571 28.738 -0.046 0.000 1.221 362 Q HN 0.769 nan 8.270 nan 0.000 0.458 363 T N 5.157 119.585 114.554 -0.210 0.000 2.809 363 T HA 0.388 4.739 4.350 0.000 0.000 0.284 363 T C -1.212 173.378 174.700 -0.182 0.000 0.992 363 T CA -0.642 61.380 62.100 -0.130 0.000 0.957 363 T CB 1.031 69.884 68.868 -0.024 0.000 0.942 363 T HN 0.544 nan 8.240 nan 0.000 0.439 364 L N 5.104 126.240 121.223 -0.144 0.000 2.341 364 L HA 0.828 5.168 4.340 0.000 0.000 0.278 364 L C -1.043 175.715 176.870 -0.188 0.000 1.005 364 L CA -0.810 53.928 54.840 -0.170 0.000 0.818 364 L CB 1.381 43.377 42.059 -0.104 0.000 1.259 364 L HN 0.866 nan 8.230 nan 0.000 0.418 365 R N 2.629 122.960 120.500 -0.282 0.000 2.510 365 R HA 0.722 5.062 4.340 0.000 0.000 0.287 365 R C -1.200 174.725 176.300 -0.625 0.000 1.084 365 R CA -0.491 55.348 56.100 -0.434 0.000 0.934 365 R CB 1.441 31.595 30.300 -0.244 0.000 1.201 365 R HN 0.704 nan 8.270 nan 0.000 0.431 366 S N 0.726 115.762 115.700 -1.106 0.000 2.752 366 S HA 0.984 5.454 4.470 0.000 0.000 0.284 366 S C -0.509 172.967 174.600 -1.875 0.000 1.189 366 S CA -0.511 56.996 58.200 -1.155 0.000 0.835 366 S CB 1.774 64.484 63.200 -0.816 0.000 1.192 366 S HN 1.348 nan 8.310 nan 0.000 0.506 367 G N -0.598 107.328 108.800 -1.456 0.000 2.355 367 G HA2 0.474 4.434 3.960 0.000 0.000 0.296 367 G HA3 0.474 4.434 3.960 0.000 0.000 0.296 367 G C -2.387 172.174 174.900 -0.564 0.000 1.507 367 G CA -0.803 43.463 45.100 -1.390 0.000 0.823 367 G HN 0.582 nan 8.290 nan 0.000 0.569 368 Y N -0.525 119.772 120.300 -0.006 0.000 2.299 368 Y HA 0.766 5.316 4.550 0.000 0.000 0.326 368 Y C 0.331 176.318 175.900 0.145 0.000 1.164 368 Y CA -0.966 57.216 58.100 0.138 0.000 1.234 368 Y CB 1.803 40.417 38.460 0.256 0.000 1.219 368 Y HN 0.560 nan 8.280 nan 0.000 0.497 369 L N 2.462 123.866 121.223 0.301 0.000 2.588 369 L HA 0.349 4.689 4.340 0.000 0.000 0.263 369 L C -0.899 176.092 176.870 0.202 0.000 0.935 369 L CA -0.867 54.111 54.840 0.231 0.000 0.891 369 L CB 2.103 44.263 42.059 0.169 0.000 1.318 369 L HN 0.689 nan 8.230 nan 0.000 0.409 370 E N 3.799 124.123 120.200 0.206 0.000 2.104 370 E HA 0.182 4.532 4.350 0.000 0.000 0.278 370 E C -0.982 175.689 176.600 0.117 0.000 1.127 370 E CA 0.018 56.528 56.400 0.184 0.000 0.897 370 E CB 0.489 30.319 29.700 0.218 0.000 1.043 370 E HN 0.600 nan 8.360 nan 0.000 0.410 371 Q N 3.410 123.265 119.800 0.091 0.000 2.425 371 Q HA 0.358 4.699 4.340 0.000 0.000 0.254 371 Q C 0.262 176.280 176.000 0.030 0.000 1.032 371 Q CA -0.119 55.716 55.803 0.054 0.000 0.798 371 Q CB 1.794 30.558 28.738 0.043 0.000 1.210 371 Q HN 0.917 nan 8.270 nan 0.000 0.491 372 G N 2.635 111.450 108.800 0.025 0.000 2.528 372 G HA2 -0.303 3.657 3.960 0.000 0.000 0.262 372 G HA3 -0.303 3.657 3.960 0.000 0.000 0.262 372 G C 0.298 175.212 174.900 0.024 0.000 1.200 372 G CA -0.390 44.717 45.100 0.011 0.000 0.951 372 G HN 0.514 nan 8.290 nan 0.000 0.566 373 K N 1.370 121.776 120.400 0.011 0.000 2.505 373 K HA 0.186 4.506 4.320 0.000 0.000 0.192 373 K C 1.567 178.184 176.600 0.027 0.000 1.025 373 K CA 0.447 56.748 56.287 0.022 0.000 1.086 373 K CB 0.181 32.689 32.500 0.012 0.000 0.840 373 K HN 0.492 nan 8.250 nan 0.000 0.514 374 R N -0.140 120.374 120.500 0.024 0.000 2.843 374 R HA 0.599 4.939 4.340 0.000 0.000 0.232 374 R C -0.133 176.203 176.300 0.061 0.000 1.305 374 R CA -0.793 55.332 56.100 0.043 0.000 1.096 374 R CB 1.141 31.446 30.300 0.009 0.000 1.455 374 R HN -0.090 nan 8.270 nan 0.000 0.520 375 I N 0.729 121.348 120.570 0.081 0.000 2.610 375 I HA 0.181 4.351 4.170 0.000 0.000 0.289 375 I C -0.309 175.898 176.117 0.150 0.000 1.163 375 I CA -0.514 60.830 61.300 0.073 0.000 1.044 375 I CB 2.346 40.299 38.000 -0.078 0.000 1.251 375 I HN 0.715 nan 8.210 nan 0.000 0.424 376 T N 3.850 118.513 114.554 0.181 0.000 2.950 376 T HA 0.763 5.113 4.350 0.000 0.000 0.288 376 T C -1.044 173.810 174.700 0.256 0.000 1.035 376 T CA -0.734 61.497 62.100 0.218 0.000 1.028 376 T CB 2.217 71.184 68.868 0.166 0.000 1.109 376 T HN 0.316 nan 8.240 nan 0.000 0.514 377 L N 1.739 123.109 121.223 0.246 0.000 2.372 377 L HA 0.664 5.005 4.340 0.000 0.000 0.274 377 L C -0.686 176.248 176.870 0.107 0.000 0.988 377 L CA -0.253 54.697 54.840 0.183 0.000 0.833 377 L CB 2.023 44.234 42.059 0.254 0.000 1.236 377 L HN 0.829 nan 8.230 nan 0.000 0.410 378 S N 6.077 121.734 115.700 -0.072 0.000 2.150 378 S HA 0.474 4.944 4.470 0.000 0.000 0.171 378 S C -2.596 171.884 174.600 -0.201 0.000 1.620 378 S CA -0.947 57.201 58.200 -0.086 0.000 1.190 378 S CB 0.464 63.621 63.200 -0.072 0.000 1.102 378 S HN 0.474 nan 8.310 nan 0.000 0.464 379 P HA 0.340 nan 4.420 nan 0.000 0.276 379 P C -0.471 176.678 177.300 -0.252 0.000 1.235 379 P CA -0.290 62.686 63.100 -0.208 0.000 0.772 379 P CB 0.581 32.236 31.700 -0.077 0.000 0.871 380 R N 2.719 123.042 120.500 -0.295 0.000 2.514 380 R HA 0.423 4.763 4.340 0.000 0.000 0.296 380 R C -0.690 175.357 176.300 -0.421 0.000 1.012 380 R CA -0.659 55.220 56.100 -0.370 0.000 0.897 380 R CB 2.022 32.184 30.300 -0.230 0.000 1.184 380 R HN 0.423 nan 8.270 nan 0.000 0.440 381 N N 2.370 120.708 118.700 -0.604 0.000 2.362 381 N HA 0.374 5.114 4.740 0.000 0.000 0.298 381 N C -1.403 173.520 175.510 -0.979 0.000 1.048 381 N CA -0.274 52.379 53.050 -0.662 0.000 0.858 381 N CB 1.843 39.975 38.487 -0.593 0.000 1.218 381 N HN 0.388 nan 8.380 nan 0.000 0.488 382 Y N 0.558 120.402 120.300 -0.759 0.000 2.373 382 Y HA 0.399 4.950 4.550 0.000 0.000 0.336 382 Y C -0.431 175.134 175.900 -0.559 0.000 0.979 382 Y CA -0.864 56.942 58.100 -0.491 0.000 1.080 382 Y CB 1.694 40.011 38.460 -0.239 0.000 1.190 382 Y HN 0.312 nan 8.280 nan 0.000 0.446 383 W N 3.722 125.141 121.300 0.198 0.000 2.475 383 W HA 0.664 5.324 4.660 0.000 0.000 0.317 383 W C -1.308 175.331 176.519 0.200 0.000 1.046 383 W CA -0.945 56.505 57.345 0.175 0.000 1.215 383 W CB 2.058 31.640 29.460 0.204 0.000 1.335 383 W HN 0.155 nan 8.180 nan 0.000 0.471 384 V N 3.754 123.858 119.914 0.318 0.000 2.445 384 V HA 0.484 4.604 4.120 0.000 0.000 0.283 384 V C 0.364 176.666 176.094 0.346 0.000 1.014 384 V CA -0.715 61.773 62.300 0.313 0.000 0.852 384 V CB 0.826 32.820 31.823 0.284 0.000 1.021 384 V HN 0.550 nan 8.190 nan 0.000 0.435 385 R N 2.034 122.705 120.500 0.286 0.000 2.674 385 R HA 0.981 5.321 4.340 0.000 0.000 0.266 385 R C 0.290 176.475 176.300 -0.192 0.000 1.016 385 R CA -0.124 56.079 56.100 0.172 0.000 1.062 385 R CB 1.738 32.170 30.300 0.220 0.000 1.142 385 R HN 1.483 nan 8.270 nan 0.000 0.517 386 G N -0.670 107.772 108.800 -0.596 0.000 2.547 386 G HA2 0.532 4.492 3.960 0.000 0.000 0.291 386 G HA3 0.532 4.492 3.960 0.000 0.000 0.291 386 G C -1.720 172.799 174.900 -0.636 0.000 1.471 386 G CA -0.070 44.528 45.100 -0.836 0.000 0.798 386 G HN 1.127 nan 8.290 nan 0.000 0.504 387 I N -0.340 120.079 120.570 -0.251 0.000 2.722 387 I HA 0.697 4.867 4.170 0.000 0.000 0.292 387 I C -1.720 174.416 176.117 0.033 0.000 1.267 387 I CA -0.660 60.611 61.300 -0.048 0.000 1.036 387 I CB 2.378 40.423 38.000 0.076 0.000 1.281 387 I HN 0.642 nan 8.210 nan 0.000 0.423 388 E N 8.998 129.249 120.200 0.085 0.000 2.361 388 E HA 0.508 4.858 4.350 0.000 0.000 0.270 388 E C -2.908 173.761 176.600 0.115 0.000 0.911 388 E CA -1.662 54.802 56.400 0.107 0.000 0.818 388 E CB 2.155 31.950 29.700 0.159 0.000 1.332 388 E HN 0.253 nan 8.360 nan 0.000 0.402 389 P HA 0.473 nan 4.420 nan 0.000 0.292 389 P C -1.234 176.143 177.300 0.128 0.000 1.300 389 P CA -0.684 62.492 63.100 0.127 0.000 0.900 389 P CB 1.621 33.482 31.700 0.268 0.000 1.139 390 R N 0.605 121.159 120.500 0.090 0.000 2.752 390 R HA 0.670 5.010 4.340 0.000 0.000 0.271 390 R C -1.832 174.642 176.300 0.290 0.000 1.026 390 R CA -0.937 55.251 56.100 0.147 0.000 0.901 390 R CB 1.436 31.806 30.300 0.117 0.000 1.243 390 R HN 0.472 nan 8.270 nan 0.000 0.463 391 Y N -0.189 120.200 120.300 0.148 0.000 2.482 391 Y HA 0.519 5.069 4.550 0.000 0.000 0.334 391 Y C -1.796 174.173 175.900 0.115 0.000 1.091 391 Y CA -0.358 57.863 58.100 0.201 0.000 1.027 391 Y CB 2.901 41.520 38.460 0.266 0.000 1.306 391 Y HN 0.744 nan 8.280 nan 0.000 0.446 392 S N 5.309 120.781 115.700 -0.380 0.000 2.614 392 S HA 0.400 4.870 4.470 0.000 0.000 0.288 392 S C -1.698 172.590 174.600 -0.520 0.000 1.137 392 S CA -0.712 57.309 58.200 -0.297 0.000 0.992 392 S CB 1.547 64.654 63.200 -0.154 0.000 1.026 392 S HN 0.643 nan 8.310 nan 0.000 0.486 393 Q N 3.969 123.586 119.800 -0.305 0.000 2.292 393 Q HA 0.524 4.864 4.340 0.000 0.000 0.270 393 Q C -1.426 174.451 176.000 -0.205 0.000 1.024 393 Q CA -0.528 55.123 55.803 -0.254 0.000 0.768 393 Q CB 1.055 29.795 28.738 0.003 0.000 1.250 393 Q HN 0.678 nan 8.270 nan 0.000 0.447 394 I N 4.266 124.710 120.570 -0.210 0.000 2.577 394 I HA 0.537 4.708 4.170 0.000 0.000 0.300 394 I C -0.455 175.616 176.117 -0.076 0.000 0.990 394 I CA -0.720 60.449 61.300 -0.219 0.000 1.283 394 I CB 0.742 38.669 38.000 -0.122 0.000 1.411 394 I HN 0.527 nan 8.210 nan 0.000 0.515 395 F N 2.071 122.015 119.950 -0.009 0.000 2.690 395 F HA 0.659 5.186 4.527 0.000 0.000 0.311 395 F C -0.657 175.139 175.800 -0.005 0.000 1.111 395 F CA -1.582 56.408 58.000 -0.017 0.000 1.003 395 F CB 0.859 39.840 39.000 -0.032 0.000 1.283 395 F HN 0.373 nan 8.300 nan 0.000 0.442 396 M N 3.533 123.294 119.600 0.269 0.000 2.063 396 M HA 0.768 5.248 4.480 0.000 0.000 0.348 396 M C -1.375 174.982 176.300 0.096 0.000 1.180 396 M CA -0.255 55.138 55.300 0.155 0.000 1.059 396 M CB 0.262 nan 32.600 nan 0.000 1.544 396 M HN 0.616 nan 8.290 nan 0.000 0.447 397 I N 4.584 125.150 120.570 -0.007 0.000 2.355 397 I HA 0.697 4.867 4.170 0.000 0.000 0.288 397 I C 1.062 177.147 176.117 -0.053 0.000 0.999 397 I CA -0.135 61.100 61.300 -0.109 0.000 1.163 397 I CB 1.034 38.844 38.000 -0.317 0.000 1.316 397 I HN 1.147 nan 8.210 nan 0.000 0.454 398 G N 7.959 116.752 108.800 -0.012 0.000 2.569 398 G HA2 -0.221 3.739 3.960 0.000 0.000 0.259 398 G HA3 -0.221 3.739 3.960 0.000 0.000 0.259 398 G C -2.077 172.850 174.900 0.044 0.000 1.263 398 G CA -0.467 44.644 45.100 0.019 0.000 0.928 398 G HN 0.530 nan 8.290 nan 0.000 0.572 399 P HA 0.227 nan 4.420 nan 0.000 0.247 399 P C 0.529 177.881 177.300 0.087 0.000 1.225 399 P CA 1.311 64.450 63.100 0.064 0.000 0.768 399 P CB -0.076 31.660 31.700 0.060 0.000 1.020 400 S N -1.362 114.411 115.700 0.121 0.000 2.715 400 S HA 0.819 5.289 4.470 0.000 0.000 0.307 400 S C -0.728 173.993 174.600 0.200 0.000 1.119 400 S CA -0.981 57.321 58.200 0.171 0.000 0.937 400 S CB 1.940 65.294 63.200 0.257 0.000 1.150 400 S HN -0.001 nan 8.310 nan 0.000 0.521 401 A N 0.930 123.870 122.820 0.199 0.000 2.304 401 A HA 0.636 4.956 4.320 0.000 0.000 0.314 401 A C -0.770 176.921 177.584 0.178 0.000 1.187 401 A CA -0.661 51.468 52.037 0.152 0.000 0.810 401 A CB 0.332 19.367 19.000 0.059 0.000 1.183 401 A HN 0.900 nan 8.150 nan 0.000 0.487 402 H N 1.834 120.813 119.070 -0.152 0.000 2.541 402 H HA 0.265 4.822 4.556 0.000 0.000 0.316 402 H C -0.878 174.154 175.328 -0.493 0.000 1.043 402 H CA -0.253 55.617 56.048 -0.296 0.000 1.232 402 H CB 1.641 31.213 29.762 -0.317 0.000 1.406 402 H HN 0.796 nan 8.280 nan 0.000 0.469 403 E N 4.498 124.559 120.200 -0.232 0.000 2.103 403 E HA 0.226 4.576 4.350 0.000 0.000 0.254 403 E C -1.023 175.469 176.600 -0.180 0.000 0.940 403 E CA -0.596 55.667 56.400 -0.229 0.000 0.771 403 E CB 0.708 30.326 29.700 -0.138 0.000 1.153 403 E HN 0.302 nan 8.360 nan 0.000 0.428 404 V N 3.126 122.918 119.914 -0.205 0.000 2.465 404 V HA 0.608 4.729 4.120 0.000 0.000 0.279 404 V C 0.609 176.709 176.094 0.010 0.000 1.045 404 V CA -0.348 61.915 62.300 -0.061 0.000 0.938 404 V CB 1.571 33.400 31.823 0.009 0.000 0.986 404 V HN 0.678 nan 8.190 nan 0.000 0.467 405 G N 2.828 111.658 108.800 0.049 0.000 2.617 405 G HA2 0.620 4.581 3.960 0.000 0.000 0.306 405 G HA3 0.620 4.581 3.960 0.000 0.000 0.306 405 G C -1.710 173.268 174.900 0.130 0.000 1.360 405 G CA -0.534 44.621 45.100 0.091 0.000 0.983 405 G HN 0.641 nan 8.290 nan 0.000 0.496 406 V N 1.121 121.125 119.914 0.150 0.000 2.735 406 V HA 0.985 5.105 4.120 0.000 0.000 0.310 406 V C 0.143 176.205 176.094 -0.055 0.000 1.061 406 V CA 0.237 62.584 62.300 0.077 0.000 0.913 406 V CB 1.962 33.855 31.823 0.117 0.000 1.005 406 V HN 1.307 nan 8.190 nan 0.000 0.428 407 G N 3.884 112.376 108.800 -0.513 0.000 2.690 407 G HA2 0.633 4.594 3.960 0.000 0.000 0.293 407 G HA3 0.633 4.594 3.960 0.000 0.000 0.293 407 G C -2.415 171.837 174.900 -1.079 0.000 1.399 407 G CA -0.597 43.939 45.100 -0.940 0.000 0.890 407 G HN 0.997 nan 8.290 nan 0.000 0.485 408 Y N 1.216 121.178 120.300 -0.563 0.000 2.457 408 Y HA 0.770 5.320 4.550 0.000 0.000 0.343 408 Y C -0.701 175.173 175.900 -0.044 0.000 0.994 408 Y CA -1.366 56.514 58.100 -0.366 0.000 1.031 408 Y CB 2.015 40.203 38.460 -0.454 0.000 1.246 408 Y HN 0.533 nan 8.280 nan 0.000 0.449 409 R N 6.192 126.330 120.500 -0.603 0.000 2.468 409 R HA 0.224 4.564 4.340 0.000 0.000 0.302 409 R C -2.300 173.672 176.300 -0.547 0.000 1.041 409 R CA -0.619 55.264 56.100 -0.361 0.000 0.899 409 R CB 0.753 31.079 30.300 0.044 0.000 1.167 409 R HN 0.839 nan 8.270 nan 0.000 0.483 410 Y N 5.195 125.128 120.300 -0.612 0.000 2.326 410 Y HA 0.527 5.077 4.550 0.000 0.000 0.337 410 Y C -1.393 174.396 175.900 -0.185 0.000 1.023 410 Y CA -0.664 57.213 58.100 -0.372 0.000 1.143 410 Y CB 0.933 39.319 38.460 -0.123 0.000 1.183 410 Y HN 0.592 nan 8.280 nan 0.000 0.485 411 L N 6.599 127.305 121.223 -0.862 0.000 2.410 411 L HA 0.488 4.828 4.340 0.000 0.000 0.270 411 L C -1.692 174.730 176.870 -0.747 0.000 0.983 411 L CA -0.713 53.764 54.840 -0.605 0.000 0.822 411 L CB 1.740 43.759 42.059 -0.067 0.000 1.285 411 L HN 0.782 nan 8.230 nan 0.000 0.409 412 N N 2.939 121.340 118.700 -0.499 0.000 2.314 412 N HA 0.430 5.170 4.740 0.000 0.000 0.294 412 N C -1.755 173.779 175.510 0.039 0.000 1.029 412 N CA -0.456 52.456 53.050 -0.229 0.000 0.845 412 N CB 1.573 40.002 38.487 -0.095 0.000 1.321 412 N HN 0.626 nan 8.380 nan 0.000 0.481 413 E N 0.687 120.955 120.200 0.114 0.000 2.263 413 E HA 0.607 4.957 4.350 0.000 0.000 0.268 413 E C -1.359 175.395 176.600 0.257 0.000 0.884 413 E CA -0.914 55.633 56.400 0.244 0.000 0.766 413 E CB 1.213 31.090 29.700 0.294 0.000 1.196 413 E HN 0.454 nan 8.360 nan 0.000 0.416 414 S N 1.860 117.753 115.700 0.322 0.000 2.677 414 S HA 0.880 5.351 4.470 0.000 0.000 0.304 414 S C -0.110 174.655 174.600 0.274 0.000 1.108 414 S CA -0.182 58.178 58.200 0.268 0.000 0.944 414 S CB 1.772 65.169 63.200 0.327 0.000 1.127 414 S HN 0.900 nan 8.310 nan 0.000 0.511 415 T N -2.540 112.084 114.554 0.115 0.000 2.711 415 T HA 0.594 4.944 4.350 0.000 0.000 0.302 415 T C -1.486 173.226 174.700 0.021 0.000 1.373 415 T CA -0.703 61.331 62.100 -0.111 0.000 1.000 415 T CB 1.361 69.985 68.868 -0.406 0.000 1.483 415 T HN 1.200 nan 8.240 nan 0.000 0.499 416 H N 0.631 119.516 119.070 -0.308 0.000 3.319 416 H HA 0.254 4.810 4.556 0.000 0.000 0.315 416 H C -1.613 173.562 175.328 -0.256 0.000 1.434 416 H CA -0.512 55.438 56.048 -0.165 0.000 1.602 416 H CB 0.978 30.763 29.762 0.038 0.000 2.265 416 H HN 0.955 nan 8.280 nan 0.000 0.368 417 E N 6.420 126.340 120.200 -0.465 0.000 2.227 417 E HA 0.559 4.909 4.350 0.000 0.000 0.268 417 E C -1.022 175.338 176.600 -0.400 0.000 0.907 417 E CA -1.113 55.012 56.400 -0.459 0.000 0.786 417 E CB 3.212 32.743 29.700 -0.282 0.000 1.191 417 E HN 0.417 nan 8.360 nan 0.000 0.411 418 M N 1.210 120.615 119.600 -0.324 0.000 2.631 418 M HA 0.478 4.958 4.480 0.000 0.000 0.288 418 M C -0.627 175.580 176.300 -0.154 0.000 1.260 418 M CA -0.852 54.301 55.300 -0.245 0.000 0.842 418 M CB 3.308 35.746 32.600 -0.270 0.000 1.743 418 M HN 0.427 nan 8.290 nan 0.000 0.461 419 R N 1.135 121.521 120.500 -0.191 0.000 2.538 419 R HA 0.566 4.906 4.340 0.000 0.000 0.292 419 R C -2.282 173.951 176.300 -0.112 0.000 1.008 419 R CA -0.303 55.769 56.100 -0.047 0.000 0.896 419 R CB 1.724 32.029 30.300 0.007 0.000 1.187 419 R HN 0.658 nan 8.270 nan 0.000 0.440 420 Y N 2.907 123.249 120.300 0.069 0.000 2.567 420 Y HA 0.508 5.058 4.550 0.001 0.000 0.333 420 Y C -0.197 175.769 175.900 0.110 0.000 1.106 420 Y CA -0.436 57.676 58.100 0.020 0.000 1.157 420 Y CB 1.590 40.039 38.460 -0.018 0.000 1.277 420 Y HN 0.537 nan 8.280 nan 0.000 0.490 421 Y N -2.131 118.273 120.300 0.173 0.000 2.725 421 Y HA 0.856 5.406 4.550 0.001 0.000 0.333 421 Y C -0.962 174.975 175.900 0.061 0.000 1.242 421 Y CA -1.226 56.931 58.100 0.095 0.000 1.059 421 Y CB 1.318 39.809 38.460 0.052 0.000 1.306 421 Y HN 0.622 nan 8.280 nan 0.000 0.454 422 T N -1.452 113.264 114.554 0.270 0.000 2.739 422 T HA 0.821 5.171 4.350 0.000 0.000 0.303 422 T C -1.183 173.611 174.700 0.157 0.000 1.389 422 T CA -0.558 61.626 62.100 0.139 0.000 1.001 422 T CB 1.086 69.954 68.868 0.001 0.000 1.436 422 T HN 1.474 nan 8.240 nan 0.000 0.500 423 A N 0.693 123.563 122.820 0.084 0.000 2.289 423 A HA 0.591 4.911 4.320 0.000 0.000 0.298 423 A C 1.311 178.894 177.584 -0.001 0.000 1.208 423 A CA -0.348 51.721 52.037 0.053 0.000 0.845 423 A CB -0.057 18.972 19.000 0.049 0.000 1.125 423 A HN 0.902 nan 8.150 nan 0.000 0.517 424 T N 1.624 116.180 114.554 0.004 0.000 2.849 424 T HA -0.171 4.180 4.350 0.000 0.000 0.270 424 T C 2.245 176.959 174.700 0.023 0.000 1.066 424 T CA 1.941 64.041 62.100 -0.001 0.000 1.130 424 T CB -0.125 68.792 68.868 0.082 0.000 0.864 424 T HN 0.823 nan 8.240 nan 0.000 0.481 425 S N 1.641 117.356 115.700 0.025 0.000 2.368 425 S HA -0.148 4.322 4.470 0.000 0.000 0.226 425 S C 1.530 176.140 174.600 0.017 0.000 1.044 425 S CA 1.634 59.850 58.200 0.027 0.000 1.062 425 S CB -0.587 62.627 63.200 0.023 0.000 0.931 425 S HN 0.715 nan 8.310 nan 0.000 0.440 426 S N -0.501 115.199 115.700 -0.000 0.000 2.625 426 S HA 0.518 4.988 4.470 0.000 0.000 0.258 426 S C 1.395 175.979 174.600 -0.026 0.000 1.256 426 S CA 0.041 58.234 58.200 -0.011 0.000 0.983 426 S CB 0.394 63.582 63.200 -0.021 0.000 1.032 426 S HN 0.513 nan 8.310 nan 0.000 0.572 427 G N -0.852 107.928 108.800 -0.033 0.000 2.570 427 G HA2 0.332 4.293 3.960 0.000 0.000 0.209 427 G HA3 0.332 4.293 3.960 0.000 0.000 0.209 427 G C 0.861 175.695 174.900 -0.109 0.000 1.168 427 G CA 0.474 45.551 45.100 -0.039 0.000 0.831 427 G HN 1.328 nan 8.290 nan 0.000 0.564 428 Q N -0.049 119.696 119.800 -0.091 0.000 2.658 428 Q HA 0.232 4.573 4.340 0.000 0.000 0.367 428 Q C -0.072 175.820 176.000 -0.180 0.000 1.107 428 Q CA 0.383 56.118 55.803 -0.113 0.000 1.128 428 Q CB -0.229 nan 28.738 nan 0.000 1.099 428 Q HN 0.724 nan 8.270 nan 0.000 0.418 429 L N 5.977 127.076 121.223 -0.206 0.000 2.255 429 L HA 0.471 4.811 4.340 0.000 0.000 0.289 429 L C -1.936 174.822 176.870 -0.188 0.000 1.046 429 L CA -1.680 52.987 54.840 -0.288 0.000 0.816 429 L CB 1.644 43.471 42.059 -0.386 0.000 1.197 429 L HN 0.666 nan 8.230 nan 0.000 0.427 430 P HA -0.057 nan 4.420 nan 0.000 0.265 430 P C -0.319 177.004 177.300 0.039 0.000 1.167 430 P CA 0.473 63.571 63.100 -0.003 0.000 0.760 430 P CB 0.534 32.288 31.700 0.090 0.000 0.783 431 S N -0.018 115.662 115.700 -0.033 0.000 2.874 431 S HA 0.444 4.914 4.470 0.000 0.000 0.257 431 S C 0.494 174.922 174.600 -0.286 0.000 0.975 431 S CA 0.219 58.379 58.200 -0.067 0.000 1.326 431 S CB -0.501 62.674 63.200 -0.042 0.000 1.215 431 S HN 0.966 nan 8.310 nan 0.000 0.679 432 G N 1.698 110.174 108.800 -0.539 0.000 2.777 432 G HA2 0.318 4.279 3.960 0.000 0.000 0.686 432 G HA3 0.318 4.279 3.960 0.000 0.000 0.686 432 G C 0.102 174.849 174.900 -0.256 0.000 1.177 432 G CA -0.100 44.489 45.100 -0.851 0.000 0.775 432 G HN 2.014 nan 8.290 nan 0.000 0.613 433 S N -2.054 113.603 115.700 -0.073 0.000 3.929 433 S HA 0.187 4.657 4.470 0.000 0.000 0.351 433 S C 0.058 174.651 174.600 -0.011 0.000 1.021 433 S CA 1.633 59.828 58.200 -0.009 0.000 1.049 433 S CB -1.772 61.407 63.200 -0.034 0.000 0.872 433 S HN 2.657 nan 8.310 nan 0.000 0.479 434 S N 0.569 116.298 115.700 0.048 0.000 2.542 434 S HA 0.662 5.133 4.470 0.000 0.000 0.276 434 S C -3.052 171.571 174.600 0.038 0.000 1.148 434 S CA -1.050 57.155 58.200 0.007 0.000 0.886 434 S CB 1.275 64.457 63.200 -0.031 0.000 1.109 434 S HN 0.193 nan 8.310 nan 0.000 0.458 435 P HA 0.155 nan 4.420 nan 0.000 0.253 435 P C -0.450 176.539 177.300 -0.518 0.000 1.159 435 P CA 0.898 63.791 63.100 -0.346 0.000 0.779 435 P CB -0.564 30.826 31.700 -0.517 0.000 0.745 436 Y N 1.902 122.052 120.300 -0.249 0.000 2.436 436 Y HA 0.505 5.055 4.550 0.000 0.000 0.336 436 Y C 1.269 177.242 175.900 0.122 0.000 1.318 436 Y CA -0.260 57.702 58.100 -0.229 0.000 1.493 436 Y CB 0.569 38.707 38.460 -0.537 0.000 1.547 436 Y HN 0.562 nan 8.280 nan 0.000 0.549 437 D N -0.839 119.627 120.400 0.111 0.000 2.912 437 D HA 0.118 4.758 4.640 0.000 0.000 0.297 437 D C -0.512 175.800 176.300 0.020 0.000 1.636 437 D CA -0.050 54.022 54.000 0.119 0.000 0.868 437 D CB -0.511 40.389 40.800 0.167 0.000 1.484 437 D HN 0.648 nan 8.370 nan 0.000 0.423 438 R N 0.761 121.242 120.500 -0.031 0.000 2.879 438 R HA 0.321 4.661 4.340 0.000 0.000 0.291 438 R C -2.448 173.802 176.300 -0.083 0.000 1.246 438 R CA -0.266 55.807 56.100 -0.045 0.000 1.083 438 R CB 0.914 31.191 30.300 -0.037 0.000 1.274 438 R HN -0.036 nan 8.270 nan 0.000 0.393 439 D N 2.920 123.293 120.400 -0.046 0.000 2.386 439 D HA 0.281 4.922 4.640 0.000 0.000 0.247 439 D C -1.284 175.035 176.300 0.032 0.000 1.336 439 D CA -0.017 53.972 54.000 -0.018 0.000 0.976 439 D CB 1.641 42.444 40.800 0.005 0.000 1.257 439 D HN 0.487 nan 8.370 nan 0.000 0.570 440 T N 0.626 115.200 114.554 0.033 0.000 2.903 440 T HA 0.741 5.091 4.350 0.000 0.000 0.299 440 T C -0.409 174.338 174.700 0.077 0.000 1.093 440 T CA -1.044 61.081 62.100 0.041 0.000 1.002 440 T CB 1.688 70.548 68.868 -0.014 0.000 1.127 440 T HN 0.275 nan 8.240 nan 0.000 0.488 441 R N 1.307 121.840 120.500 0.055 0.000 2.532 441 R HA 0.739 5.079 4.340 0.000 0.000 0.297 441 R C -0.976 175.250 176.300 -0.124 0.000 0.984 441 R CA -0.742 55.377 56.100 0.032 0.000 0.884 441 R CB 2.456 32.821 30.300 0.109 0.000 1.182 441 R HN 0.821 nan 8.270 nan 0.000 0.442 442 S N -0.011 115.428 115.700 -0.434 0.000 2.732 442 S HA 0.929 5.399 4.470 0.000 0.000 0.293 442 S C -0.504 173.417 174.600 -1.133 0.000 1.159 442 S CA -0.893 56.707 58.200 -1.000 0.000 0.847 442 S CB 2.478 65.022 63.200 -1.093 0.000 1.169 442 S HN 0.779 nan 8.310 nan 0.000 0.501 443 G N -0.383 107.614 108.800 -1.339 0.000 2.495 443 G HA2 0.628 4.588 3.960 0.000 0.000 0.294 443 G HA3 0.628 4.588 3.960 0.000 0.000 0.294 443 G C -1.799 173.055 174.900 -0.076 0.000 1.397 443 G CA -0.473 44.321 45.100 -0.509 0.000 0.790 443 G HN 0.729 nan 8.290 nan 0.000 0.486 444 T N -0.324 114.310 114.554 0.133 0.000 2.885 444 T HA 0.590 4.940 4.350 0.000 0.000 0.322 444 T C -1.524 173.167 174.700 -0.015 0.000 1.387 444 T CA -0.620 61.541 62.100 0.102 0.000 1.041 444 T CB 2.418 71.353 68.868 0.111 0.000 1.287 444 T HN 0.597 nan 8.240 nan 0.000 0.491 445 E N 0.835 120.977 120.200 -0.097 0.000 2.283 445 E HA 0.642 4.992 4.350 0.000 0.000 0.258 445 E C -1.402 174.993 176.600 -0.341 0.000 0.893 445 E CA -0.623 55.663 56.400 -0.189 0.000 0.798 445 E CB 1.049 30.755 29.700 0.011 0.000 1.242 445 E HN 0.785 nan 8.360 nan 0.000 0.414 446 A N 4.572 127.060 122.820 -0.553 0.000 2.343 446 A HA 0.523 4.843 4.320 0.000 0.000 0.316 446 A C -1.236 176.118 177.584 -0.383 0.000 1.104 446 A CA -0.685 51.050 52.037 -0.503 0.000 0.768 446 A CB 0.821 19.234 19.000 -0.979 0.000 1.213 446 A HN 0.651 nan 8.150 nan 0.000 0.456 447 H N 1.435 120.578 119.070 0.123 0.000 2.504 447 H HA 0.600 5.156 4.556 0.000 0.000 0.322 447 H C -0.212 175.205 175.328 0.150 0.000 1.055 447 H CA 0.043 56.197 56.048 0.175 0.000 1.231 447 H CB 1.815 31.863 29.762 0.476 0.000 1.417 447 H HN 0.793 nan 8.280 nan 0.000 0.472 448 A N 4.413 127.235 122.820 0.002 0.000 2.319 448 A HA 0.493 4.814 4.320 0.000 0.000 0.310 448 A C -1.344 176.322 177.584 0.137 0.000 1.152 448 A CA -0.721 51.416 52.037 0.166 0.000 0.783 448 A CB 0.583 19.702 19.000 0.199 0.000 1.184 448 A HN 0.598 nan 8.150 nan 0.000 0.474 449 W N 1.383 122.972 121.300 0.481 0.000 2.627 449 W HA 0.706 5.367 4.660 0.000 0.000 0.339 449 W C -0.643 176.126 176.519 0.416 0.000 1.058 449 W CA -0.208 57.357 57.345 0.368 0.000 1.223 449 W CB 1.140 30.787 29.460 0.310 0.000 1.389 449 W HN 0.678 nan 8.180 nan 0.000 0.541 450 Y N 0.536 121.074 120.300 0.396 0.000 2.552 450 Y HA 0.821 5.372 4.550 0.000 0.000 0.337 450 Y C -1.809 174.207 175.900 0.193 0.000 1.094 450 Y CA -2.062 56.180 58.100 0.237 0.000 1.028 450 Y CB 1.059 39.599 38.460 0.133 0.000 1.321 450 Y HN 0.416 nan 8.280 nan 0.000 0.456 451 L N 3.222 124.609 121.223 0.274 0.000 2.526 451 L HA 0.772 5.113 4.340 0.000 0.000 0.263 451 L C -2.097 174.849 176.870 0.127 0.000 0.943 451 L CA -0.231 54.710 54.840 0.169 0.000 0.859 451 L CB 2.188 44.324 42.059 0.128 0.000 1.313 451 L HN 0.991 nan 8.230 nan 0.000 0.406 452 D N 1.028 121.485 120.400 0.095 0.000 2.609 452 D HA 0.586 5.226 4.640 0.000 0.000 0.239 452 D C -1.765 174.542 176.300 0.012 0.000 1.229 452 D CA -0.477 53.549 54.000 0.044 0.000 0.808 452 D CB 1.828 42.646 40.800 0.029 0.000 1.448 452 D HN 0.422 nan 8.370 nan 0.000 0.433 453 D N -1.082 119.303 120.400 -0.025 0.000 2.788 453 D HA 0.482 5.123 4.640 0.000 0.000 0.247 453 D C -1.145 175.086 176.300 -0.114 0.000 1.236 453 D CA -0.585 53.373 54.000 -0.071 0.000 0.898 453 D CB 1.354 42.118 40.800 -0.060 0.000 1.401 453 D HN 0.578 nan 8.370 nan 0.000 0.549 454 K N 4.299 124.626 120.400 -0.122 0.000 2.219 454 K HA 0.453 4.773 4.320 0.000 0.000 0.280 454 K C 0.162 176.664 176.600 -0.163 0.000 1.104 454 K CA -0.358 55.861 56.287 -0.114 0.000 0.925 454 K CB -0.435 32.017 32.500 -0.081 0.000 1.261 454 K HN 0.579 nan 8.250 nan 0.000 0.445 455 I N 1.820 122.267 120.570 -0.204 0.000 2.342 455 I HA 0.228 4.399 4.170 0.000 0.000 0.291 455 I C -0.344 175.731 176.117 -0.070 0.000 1.010 455 I CA -0.766 60.364 61.300 -0.284 0.000 1.308 455 I CB 1.571 39.322 38.000 -0.414 0.000 1.400 455 I HN 0.532 nan 8.210 nan 0.000 0.488 456 D N 7.962 128.358 120.400 -0.006 0.000 2.462 456 D HA 0.370 5.010 4.640 0.000 0.000 0.249 456 D C -0.703 175.649 176.300 0.086 0.000 1.117 456 D CA -0.057 53.977 54.000 0.057 0.000 0.900 456 D CB 2.258 43.081 40.800 0.037 0.000 1.039 456 D HN 0.438 nan 8.370 nan 0.000 0.516 457 I N 1.436 122.082 120.570 0.126 0.000 2.354 457 I HA 0.364 4.534 4.170 0.000 0.000 0.286 457 I C 1.142 177.370 176.117 0.184 0.000 1.007 457 I CA 0.166 61.549 61.300 0.139 0.000 1.167 457 I CB 0.582 38.658 38.000 0.127 0.000 1.320 457 I HN 0.538 nan 8.210 nan 0.000 0.458 458 G N 6.968 115.835 108.800 0.113 0.000 2.686 458 G HA2 -0.409 3.552 3.960 0.000 0.000 0.329 458 G HA3 -0.409 3.552 3.960 0.000 0.000 0.329 458 G C 0.524 175.428 174.900 0.007 0.000 1.187 458 G CA 0.853 46.009 45.100 0.093 0.000 0.965 458 G HN 0.645 nan 8.290 nan 0.000 0.549 459 N N 0.918 119.661 118.700 0.071 0.000 2.273 459 N HA 0.336 5.076 4.740 0.000 0.000 0.231 459 N C -0.835 174.560 175.510 -0.192 0.000 1.134 459 N CA -0.059 52.843 53.050 -0.247 0.000 0.856 459 N CB 0.166 38.392 38.487 -0.435 0.000 1.068 459 N HN 0.462 nan 8.380 nan 0.000 0.510 460 W N -0.646 120.739 121.300 0.142 0.000 2.799 460 W HA 0.518 5.178 4.660 0.000 0.000 0.349 460 W C -0.348 176.264 176.519 0.154 0.000 1.100 460 W CA -0.579 56.904 57.345 0.230 0.000 1.174 460 W CB 1.311 30.889 29.460 0.197 0.000 1.427 460 W HN -0.307 nan 8.180 nan 0.000 0.547 461 T N 3.656 118.446 114.554 0.393 0.000 3.089 461 T HA 0.373 4.723 4.350 0.000 0.000 0.340 461 T C -0.818 173.975 174.700 0.156 0.000 1.008 461 T CA -0.519 61.707 62.100 0.209 0.000 1.096 461 T CB 0.039 68.992 68.868 0.142 0.000 1.024 461 T HN 0.032 nan 8.240 nan 0.000 0.477 462 I N 3.141 123.774 120.570 0.106 0.000 2.392 462 I HA 0.425 4.595 4.170 0.000 0.000 0.295 462 I C 0.339 176.442 176.117 -0.023 0.000 0.985 462 I CA -0.609 60.721 61.300 0.050 0.000 1.221 462 I CB 1.358 39.368 38.000 0.016 0.000 1.366 462 I HN 0.497 nan 8.210 nan 0.000 0.467 463 T N 6.406 120.941 114.554 -0.032 0.000 3.064 463 T HA 0.319 4.669 4.350 0.000 0.000 0.367 463 T C -2.565 172.104 174.700 -0.052 0.000 1.202 463 T CA -1.270 60.796 62.100 -0.057 0.000 1.133 463 T CB 1.110 69.934 68.868 -0.073 0.000 1.074 463 T HN 0.378 nan 8.240 nan 0.000 0.519 464 P HA 0.535 nan 4.420 nan 0.000 0.287 464 P C -0.166 177.124 177.300 -0.017 0.000 1.281 464 P CA -0.068 63.013 63.100 -0.032 0.000 0.781 464 P CB 1.604 33.289 31.700 -0.026 0.000 0.903 465 G N 1.012 109.805 108.800 -0.012 0.000 2.660 465 G HA2 0.761 4.721 3.960 0.000 0.000 0.294 465 G HA3 0.761 4.721 3.960 0.000 0.000 0.294 465 G C -1.509 173.411 174.900 0.033 0.000 1.369 465 G CA -0.537 44.572 45.100 0.015 0.000 0.912 465 G HN 0.663 nan 8.290 nan 0.000 0.479 466 M N 1.105 120.753 119.600 0.080 0.000 2.365 466 M HA 0.899 5.379 4.480 0.000 0.000 0.287 466 M C -1.013 175.400 176.300 0.189 0.000 1.154 466 M CA -0.857 54.508 55.300 0.110 0.000 0.941 466 M CB 2.100 nan 32.600 nan 0.000 1.704 466 M HN 0.871 nan 8.290 nan 0.000 0.479 467 R N 1.921 122.534 120.500 0.189 0.000 2.621 467 R HA 0.904 5.244 4.340 0.000 0.000 0.292 467 R C -2.235 174.238 176.300 0.288 0.000 0.969 467 R CA -0.443 55.816 56.100 0.265 0.000 0.887 467 R CB 1.610 31.998 30.300 0.147 0.000 1.180 467 R HN 0.987 nan 8.270 nan 0.000 0.450 468 F N 2.223 122.334 119.950 0.268 0.000 2.540 468 F HA 0.450 4.977 4.527 0.000 0.000 0.317 468 F C -0.941 175.057 175.800 0.330 0.000 1.104 468 F CA -0.417 57.727 58.000 0.241 0.000 0.913 468 F CB 2.026 41.171 39.000 0.241 0.000 1.170 468 F HN 0.478 nan 8.300 nan 0.000 0.450 469 E N 3.235 123.108 120.200 -0.544 0.000 2.275 469 E HA 0.137 4.487 4.350 0.000 0.000 0.270 469 E C -1.821 174.689 176.600 -0.150 0.000 0.882 469 E CA -0.883 55.442 56.400 -0.126 0.000 0.758 469 E CB 1.951 31.636 29.700 -0.025 0.000 1.195 469 E HN 0.552 nan 8.360 nan 0.000 0.419 470 H N 3.180 122.367 119.070 0.196 0.000 2.673 470 H HA 0.381 4.937 4.556 0.000 0.000 0.293 470 H C -1.348 174.123 175.328 0.237 0.000 1.065 470 H CA -0.511 55.712 56.048 0.292 0.000 1.236 470 H CB 0.004 30.070 29.762 0.507 0.000 1.389 470 H HN 0.303 nan 8.280 nan 0.000 0.481 471 I N 4.311 124.863 120.570 -0.030 0.000 2.354 471 I HA 0.243 4.413 4.170 0.000 0.000 0.292 471 I C -0.213 175.792 176.117 -0.187 0.000 0.989 471 I CA -0.232 61.035 61.300 -0.055 0.000 1.188 471 I CB 1.648 39.803 38.000 0.258 0.000 1.342 471 I HN 0.587 nan 8.210 nan 0.000 0.457 472 E N 4.882 124.961 120.200 -0.201 0.000 2.216 472 E HA 0.600 4.951 4.350 0.000 0.000 0.260 472 E C -1.149 175.446 176.600 -0.008 0.000 0.880 472 E CA -0.515 55.803 56.400 -0.138 0.000 0.765 472 E CB 1.755 31.407 29.700 -0.081 0.000 1.174 472 E HN 0.547 nan 8.360 nan 0.000 0.417 473 S N 1.726 117.440 115.700 0.023 0.000 2.634 473 S HA 0.722 5.192 4.470 0.000 0.000 0.296 473 S C -1.233 173.458 174.600 0.152 0.000 1.104 473 S CA -0.828 57.449 58.200 0.129 0.000 0.920 473 S CB 1.095 64.420 63.200 0.207 0.000 1.111 473 S HN 0.552 nan 8.310 nan 0.000 0.493 474 Y N -0.392 119.929 120.300 0.035 0.000 2.624 474 Y HA 0.728 5.278 4.550 0.000 0.000 0.334 474 Y C -1.394 174.431 175.900 -0.126 0.000 1.155 474 Y CA -0.940 57.105 58.100 -0.091 0.000 1.046 474 Y CB 1.249 39.686 38.460 -0.038 0.000 1.316 474 Y HN 0.656 nan 8.280 nan 0.000 0.457 475 Q N 3.103 122.884 119.800 -0.031 0.000 2.275 475 Q HA 0.324 4.664 4.340 0.000 0.000 0.258 475 Q C -2.064 174.004 176.000 0.113 0.000 0.960 475 Q CA -0.688 55.069 55.803 -0.076 0.000 0.801 475 Q CB 1.529 30.198 28.738 -0.115 0.000 1.302 475 Q HN 0.823 nan 8.270 nan 0.000 0.433 476 N N 3.674 122.537 118.700 0.272 0.000 2.425 476 N HA 0.189 4.929 4.740 0.000 0.000 0.268 476 N C -1.399 174.194 175.510 0.138 0.000 0.991 476 N CA -0.166 53.052 53.050 0.280 0.000 0.931 476 N CB 1.132 39.815 38.487 0.327 0.000 1.130 476 N HN 0.643 nan 8.380 nan 0.000 0.493 477 N N 2.961 121.725 118.700 0.106 0.000 2.457 477 N HA 0.223 4.963 4.740 0.000 0.000 0.250 477 N C 0.371 175.915 175.510 0.057 0.000 0.982 477 N CA -0.231 52.857 53.050 0.064 0.000 0.941 477 N CB 1.461 39.976 38.487 0.048 0.000 1.120 477 N HN 0.623 nan 8.380 nan 0.000 0.505 478 A N 4.370 127.219 122.820 0.049 0.000 2.119 478 A HA -0.026 4.294 4.320 0.000 0.000 0.217 478 A C 1.631 179.231 177.584 0.026 0.000 1.153 478 A CA 0.785 52.844 52.037 0.036 0.000 0.692 478 A CB -0.125 18.895 19.000 0.034 0.000 0.799 478 A HN 0.691 nan 8.150 nan 0.000 0.458 479 I N -0.278 120.306 120.570 0.024 0.000 3.228 479 I HA -0.037 4.134 4.170 0.000 0.000 0.279 479 I C 2.188 178.317 176.117 0.021 0.000 1.221 479 I CA 1.875 63.186 61.300 0.018 0.000 1.458 479 I CB -1.385 36.623 38.000 0.013 0.000 1.105 479 I HN 0.487 nan 8.210 nan 0.000 0.445 480 T N -2.877 111.693 114.554 0.026 0.000 2.971 480 T HA 0.304 4.654 4.350 0.000 0.000 0.252 480 T C 1.654 176.373 174.700 0.032 0.000 1.022 480 T CA 0.684 62.800 62.100 0.027 0.000 0.980 480 T CB 0.555 69.440 68.868 0.029 0.000 1.044 480 T HN 0.372 nan 8.240 nan 0.000 0.501 481 G N 2.018 110.840 108.800 0.037 0.000 2.189 481 G HA2 -0.321 3.639 3.960 0.000 0.000 0.267 481 G HA3 -0.321 3.639 3.960 0.000 0.000 0.267 481 G C 0.484 175.419 174.900 0.058 0.000 0.975 481 G CA 0.964 46.088 45.100 0.040 0.000 0.644 481 G HN 1.158 nan 8.290 nan 0.000 0.537 482 T N -2.775 111.820 114.554 0.069 0.000 2.689 482 T HA 0.533 4.883 4.350 0.000 0.000 0.308 482 T C -0.076 174.726 174.700 0.171 0.000 1.021 482 T CA 0.616 62.773 62.100 0.095 0.000 0.973 482 T CB 1.820 70.730 68.868 0.071 0.000 1.113 482 T HN 1.260 nan 8.240 nan 0.000 0.522 483 H N -1.143 117.950 119.070 0.039 0.000 3.137 483 H HA 0.512 5.068 4.556 0.000 0.000 0.336 483 H C -1.808 173.555 175.328 0.059 0.000 1.055 483 H CA -0.437 55.644 56.048 0.055 0.000 1.349 483 H CB 1.492 31.274 29.762 0.034 0.000 1.939 483 H HN 0.731 nan 8.280 nan 0.000 0.487 484 E N 2.705 122.709 120.200 -0.326 0.000 2.248 484 E HA 0.604 4.954 4.350 0.000 0.000 0.267 484 E C -0.931 175.485 176.600 -0.307 0.000 0.877 484 E CA -0.304 55.975 56.400 -0.201 0.000 0.759 484 E CB 1.834 31.491 29.700 -0.072 0.000 1.182 484 E HN 0.710 nan 8.360 nan 0.000 0.418 485 E N 0.604 120.720 120.200 -0.141 0.000 2.369 485 E HA 0.814 5.164 4.350 0.000 0.000 0.270 485 E C -1.077 175.493 176.600 -0.050 0.000 0.909 485 E CA -0.601 55.765 56.400 -0.058 0.000 0.775 485 E CB 1.907 31.632 29.700 0.041 0.000 1.270 485 E HN 0.633 nan 8.360 nan 0.000 0.445 486 V N -1.799 118.055 119.914 -0.100 0.000 2.969 486 V HA 0.946 5.067 4.120 0.000 0.000 0.304 486 V C -0.529 175.273 176.094 -0.486 0.000 1.192 486 V CA -0.093 62.038 62.300 -0.282 0.000 0.962 486 V CB 1.416 33.052 31.823 -0.311 0.000 1.045 486 V HN 1.577 nan 8.190 nan 0.000 0.428 487 S N 4.021 119.371 115.700 -0.584 0.000 2.619 487 S HA 0.933 5.404 4.470 0.000 0.000 0.280 487 S C -1.432 172.937 174.600 -0.384 0.000 1.150 487 S CA -0.571 57.342 58.200 -0.478 0.000 0.978 487 S CB 1.732 64.864 63.200 -0.113 0.000 1.041 487 S HN 1.918 nan 8.310 nan 0.000 0.485 488 Y N 0.244 120.605 120.300 0.103 0.000 2.571 488 Y HA 0.623 5.174 4.550 0.000 0.000 0.341 488 Y C -0.630 175.353 175.900 0.139 0.000 1.076 488 Y CA -1.626 56.567 58.100 0.155 0.000 1.029 488 Y CB 0.636 39.203 38.460 0.179 0.000 1.308 488 Y HN 0.599 nan 8.280 nan 0.000 0.461 489 N N 1.044 119.928 118.700 0.307 0.000 2.399 489 N HA 0.699 5.440 4.740 0.000 0.000 0.295 489 N C -1.239 174.109 175.510 -0.270 0.000 1.048 489 N CA -0.585 52.518 53.050 0.089 0.000 0.886 489 N CB 2.203 40.953 38.487 0.439 0.000 1.185 489 N HN 0.868 nan 8.380 nan 0.000 0.487 490 A N 2.936 125.273 122.820 -0.806 0.000 2.363 490 A HA 0.452 4.772 4.320 0.000 0.000 0.296 490 A C -2.563 174.602 177.584 -0.699 0.000 1.237 490 A CA -1.354 50.179 52.037 -0.839 0.000 0.773 490 A CB 1.074 19.140 19.000 -1.557 0.000 1.153 490 A HN 0.360 nan 8.150 nan 0.000 0.473 491 P HA 0.418 nan 4.420 nan 0.000 0.287 491 P C -0.931 176.349 177.300 -0.034 0.000 1.281 491 P CA -0.073 63.056 63.100 0.048 0.000 0.781 491 P CB 1.098 32.900 31.700 0.170 0.000 0.903 492 L N 5.409 126.640 121.223 0.013 0.000 2.433 492 L HA 0.387 4.727 4.340 0.000 0.000 0.256 492 L C -2.518 174.357 176.870 0.008 0.000 1.063 492 L CA -2.165 52.664 54.840 -0.018 0.000 0.922 492 L CB 1.610 43.646 42.059 -0.038 0.000 1.238 492 L HN 0.084 nan 8.230 nan 0.000 0.466 493 P HA 0.316 nan 4.420 nan 0.000 0.276 493 P C -0.676 176.588 177.300 -0.060 0.000 1.235 493 P CA 0.016 63.109 63.100 -0.012 0.000 0.772 493 P CB 1.425 33.121 31.700 -0.006 0.000 0.871 494 A N 3.391 126.179 122.820 -0.054 0.000 2.449 494 A HA 0.744 5.064 4.320 0.000 0.000 0.302 494 A C -1.744 175.790 177.584 -0.084 0.000 1.048 494 A CA -0.560 51.422 52.037 -0.091 0.000 0.708 494 A CB 1.110 20.065 19.000 -0.075 0.000 1.274 494 A HN 0.503 nan 8.150 nan 0.000 0.410 495 L N 1.792 122.946 121.223 -0.115 0.000 2.409 495 L HA 0.710 5.050 4.340 0.000 0.000 0.272 495 L C -1.534 175.283 176.870 -0.088 0.000 0.980 495 L CA -0.455 54.332 54.840 -0.087 0.000 0.826 495 L CB 1.902 43.914 42.059 -0.078 0.000 1.268 495 L HN 0.650 nan 8.230 nan 0.000 0.407 496 N N 3.472 122.132 118.700 -0.068 0.000 2.442 496 N HA 0.624 5.365 4.740 0.000 0.000 0.274 496 N C -1.486 174.015 175.510 -0.015 0.000 1.002 496 N CA -0.316 52.691 53.050 -0.073 0.000 0.910 496 N CB 2.514 40.923 38.487 -0.129 0.000 1.244 496 N HN 0.389 nan 8.380 nan 0.000 0.492 497 V N 3.273 123.211 119.914 0.039 0.000 2.495 497 V HA 0.707 4.827 4.120 0.000 0.000 0.298 497 V C -1.528 174.642 176.094 0.126 0.000 1.031 497 V CA -0.742 61.636 62.300 0.131 0.000 0.871 497 V CB 1.500 33.451 31.823 0.214 0.000 0.988 497 V HN 0.543 nan 8.190 nan 0.000 0.432 498 L N 7.740 129.025 121.223 0.102 0.000 2.446 498 L HA 0.566 4.906 4.340 0.000 0.000 0.268 498 L C -1.624 175.187 176.870 -0.099 0.000 0.975 498 L CA -0.293 54.532 54.840 -0.024 0.000 0.848 498 L CB 1.598 43.558 42.059 -0.166 0.000 1.225 498 L HN 0.720 nan 8.230 nan 0.000 0.410 499 Y N 3.414 123.516 120.300 -0.330 0.000 2.361 499 Y HA 0.565 5.116 4.550 0.001 0.000 0.332 499 Y C -0.604 175.022 175.900 -0.456 0.000 1.101 499 Y CA -0.325 57.466 58.100 -0.515 0.000 1.137 499 Y CB 0.960 38.907 38.460 -0.856 0.000 1.207 499 Y HN 0.687 nan 8.280 nan 0.000 0.463 500 H N 6.570 125.068 119.070 -0.954 0.000 2.724 500 H HA 0.220 4.776 4.556 0.000 0.000 0.278 500 H C 0.655 175.477 175.328 -0.844 0.000 1.159 500 H CA -0.561 55.092 56.048 -0.659 0.000 1.254 500 H CB 0.390 29.887 29.762 -0.441 0.000 1.412 500 H HN 0.619 nan 8.280 nan 0.000 0.488 501 L N 0.948 121.859 121.223 -0.520 0.000 1.937 501 L HA -0.081 4.260 4.340 0.000 0.000 0.213 501 L C 1.498 178.234 176.870 -0.223 0.000 1.077 501 L CA 1.765 56.354 54.840 -0.418 0.000 0.758 501 L CB -0.718 40.891 42.059 -0.749 0.000 0.888 501 L HN 0.635 nan 8.230 nan 0.000 0.433 502 T N -3.820 110.697 114.554 -0.062 0.000 2.922 502 T HA 0.149 4.500 4.350 0.000 0.000 0.281 502 T C 0.511 175.253 174.700 0.071 0.000 1.005 502 T CA -0.519 61.613 62.100 0.054 0.000 0.982 502 T CB 1.546 70.527 68.868 0.188 0.000 1.158 502 T HN 0.030 nan 8.240 nan 0.000 0.566 503 D N 0.395 120.829 120.400 0.056 0.000 2.378 503 D HA 0.132 4.772 4.640 0.000 0.000 0.227 503 D C 0.277 176.606 176.300 0.048 0.000 1.012 503 D CA 0.714 54.745 54.000 0.052 0.000 0.905 503 D CB -0.031 40.778 40.800 0.015 0.000 0.895 503 D HN 0.600 nan 8.370 nan 0.000 0.532 504 S N -0.640 115.087 115.700 0.046 0.000 2.605 504 S HA 0.353 4.823 4.470 0.000 0.000 0.142 504 S C -1.298 173.258 174.600 -0.073 0.000 1.452 504 S CA -1.034 57.093 58.200 -0.122 0.000 1.240 504 S CB -0.049 62.981 63.200 -0.283 0.000 1.538 504 S HN 0.176 nan 8.310 nan 0.000 0.394 505 W N 2.653 124.033 121.300 0.132 0.000 4.617 505 W HA 0.397 5.057 4.660 0.000 0.000 0.253 505 W C -2.531 174.017 176.519 0.050 0.000 1.338 505 W CA -0.716 56.672 57.345 0.072 0.000 1.468 505 W CB -0.215 29.229 29.460 -0.027 0.000 1.032 505 W HN 0.359 nan 8.180 nan 0.000 0.475 506 N N 3.600 122.473 118.700 0.288 0.000 2.402 506 N HA 0.757 5.497 4.740 0.000 0.000 0.294 506 N C -1.622 173.839 175.510 -0.081 0.000 1.203 506 N CA -0.617 52.321 53.050 -0.186 0.000 0.838 506 N CB 2.070 40.228 38.487 -0.548 0.000 1.306 506 N HN 0.309 nan 8.380 nan 0.000 0.510 507 L N 1.760 122.877 121.223 -0.177 0.000 2.356 507 L HA 0.463 4.803 4.340 0.000 0.000 0.277 507 L C -1.157 175.685 176.870 -0.046 0.000 0.996 507 L CA -0.691 54.071 54.840 -0.130 0.000 0.822 507 L CB 0.931 42.899 42.059 -0.151 0.000 1.256 507 L HN 0.512 nan 8.230 nan 0.000 0.413 508 Y N 2.472 122.761 120.300 -0.019 0.000 2.581 508 Y HA 0.980 5.531 4.550 0.000 0.000 0.345 508 Y C -1.054 174.867 175.900 0.035 0.000 1.036 508 Y CA -1.751 56.339 58.100 -0.016 0.000 1.042 508 Y CB 1.566 39.991 38.460 -0.059 0.000 1.289 508 Y HN 0.669 nan 8.280 nan 0.000 0.471 509 A N 2.775 125.818 122.820 0.373 0.000 2.549 509 A HA 0.836 5.156 4.320 0.000 0.000 0.297 509 A C -1.794 175.899 177.584 0.181 0.000 1.061 509 A CA -0.518 51.691 52.037 0.286 0.000 0.690 509 A CB 1.604 20.722 19.000 0.196 0.000 1.287 509 A HN 1.384 nan 8.150 nan 0.000 0.402 510 N N -0.520 118.255 118.700 0.123 0.000 2.859 510 N HA 0.657 5.398 4.740 0.000 0.000 0.250 510 N C -1.247 174.182 175.510 -0.135 0.000 1.341 510 N CA -0.133 52.902 53.050 -0.024 0.000 0.881 510 N CB 1.841 40.284 38.487 -0.073 0.000 1.516 510 N HN 0.611 nan 8.380 nan 0.000 0.503 511 T N -0.289 114.083 114.554 -0.303 0.000 2.949 511 T HA 0.597 4.947 4.350 0.000 0.000 0.300 511 T C -1.731 172.729 174.700 -0.399 0.000 0.988 511 T CA -0.351 61.388 62.100 -0.602 0.000 0.993 511 T CB 0.452 68.585 68.868 -1.226 0.000 0.984 511 T HN 0.558 nan 8.240 nan 0.000 0.442 512 E N 2.065 122.077 120.200 -0.314 0.000 2.277 512 E HA 0.718 5.068 4.350 0.000 0.000 0.266 512 E C 0.092 176.579 176.600 -0.187 0.000 0.901 512 E CA -0.832 55.447 56.400 -0.201 0.000 0.782 512 E CB 1.866 31.486 29.700 -0.132 0.000 1.228 512 E HN 0.728 nan 8.360 nan 0.000 0.424 513 G N 0.089 108.809 108.800 -0.133 0.000 2.471 513 G HA2 0.661 4.621 3.960 0.000 0.000 0.332 513 G HA3 0.661 4.621 3.960 0.000 0.000 0.332 513 G C -0.821 174.033 174.900 -0.077 0.000 1.176 513 G CA -0.601 44.436 45.100 -0.106 0.000 0.949 513 G HN 0.527 nan 8.290 nan 0.000 0.488 514 S N -0.994 114.669 115.700 -0.062 0.000 2.587 514 S HA 0.750 5.221 4.470 0.000 0.000 0.269 514 S C -1.388 173.263 174.600 0.085 0.000 1.154 514 S CA -0.859 57.336 58.200 -0.009 0.000 0.824 514 S CB 1.857 65.019 63.200 -0.063 0.000 1.118 514 S HN 1.865 nan 8.310 nan 0.000 0.462 515 F N -0.702 119.173 119.950 -0.125 0.000 2.650 515 F HA 0.803 5.330 4.527 0.000 0.000 0.310 515 F C -0.565 175.175 175.800 -0.100 0.000 1.112 515 F CA -0.839 57.092 58.000 -0.116 0.000 0.986 515 F CB 0.973 39.904 39.000 -0.115 0.000 1.285 515 F HN 0.915 nan 8.300 nan 0.000 0.440 516 G N 3.048 111.529 108.800 -0.532 0.000 2.741 516 G HA2 0.422 4.383 3.960 0.000 0.000 0.336 516 G HA3 0.422 4.383 3.960 0.000 0.000 0.336 516 G C -0.014 174.362 174.900 -0.873 0.000 1.022 516 G CA -0.086 44.664 45.100 -0.584 0.000 1.193 516 G HN 1.094 nan 8.290 nan 0.000 0.455 517 T N 0.981 114.796 114.554 -1.232 0.000 2.906 517 T HA 0.050 4.401 4.350 0.000 0.000 0.329 517 T C 0.956 175.389 174.700 -0.446 0.000 1.091 517 T CA -0.293 61.261 62.100 -0.910 0.000 1.127 517 T CB 0.431 69.101 68.868 -0.329 0.000 1.035 517 T HN 0.284 nan 8.240 nan 0.000 0.547 518 V N 4.726 124.461 119.914 -0.297 0.000 2.901 518 V HA 0.124 4.244 4.120 0.000 0.000 0.307 518 V C 0.855 176.883 176.094 -0.111 0.000 1.084 518 V CA 0.153 62.371 62.300 -0.137 0.000 1.184 518 V CB 0.480 32.343 31.823 0.067 0.000 0.941 518 V HN 0.931 nan 8.190 nan 0.000 0.493 519 Q N 1.560 121.271 119.800 -0.148 0.000 2.248 519 Q HA 0.356 4.696 4.340 0.000 0.000 0.263 519 Q C 0.122 176.101 176.000 -0.034 0.000 1.007 519 Q CA -0.746 54.945 55.803 -0.186 0.000 0.877 519 Q CB 1.102 29.734 28.738 -0.177 0.000 1.315 519 Q HN 0.652 nan 8.270 nan 0.000 0.454 520 Y N 0.088 120.390 120.300 0.004 0.000 2.241 520 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 520 Y C 2.264 178.159 175.900 -0.007 0.000 1.166 520 Y CA 1.478 59.576 58.100 -0.003 0.000 1.203 520 Y CB -0.665 37.810 38.460 0.025 0.000 0.977 520 Y HN 0.576 nan 8.280 nan 0.000 0.529 521 S N -0.419 115.364 115.700 0.137 0.000 2.561 521 S HA -0.082 4.388 4.470 0.000 0.000 0.225 521 S C 1.120 175.735 174.600 0.025 0.000 0.977 521 S CA 0.629 58.872 58.200 0.072 0.000 0.926 521 S CB -0.369 62.862 63.200 0.051 0.000 0.769 521 S HN 0.702 nan 8.310 nan 0.000 0.533 522 Q N -0.330 119.471 119.800 0.002 0.000 2.149 522 Q HA 0.347 4.687 4.340 0.000 0.000 0.221 522 Q C 0.908 176.893 176.000 -0.024 0.000 0.807 522 Q CA -0.503 55.274 55.803 -0.043 0.000 1.000 522 Q CB -0.019 28.635 28.738 -0.140 0.000 1.157 522 Q HN 0.279 nan 8.270 nan 0.000 0.487 523 I N 2.146 122.730 120.570 0.023 0.000 2.044 523 I HA -0.193 3.977 4.170 0.000 0.000 0.234 523 I C 1.609 177.735 176.117 0.014 0.000 1.031 523 I CA 2.113 63.432 61.300 0.031 0.000 1.305 523 I CB -1.252 36.775 38.000 0.045 0.000 1.026 523 I HN 0.328 nan 8.210 nan 0.000 0.392 524 G N 3.186 111.994 108.800 0.013 0.000 4.198 524 G HA2 0.302 4.263 3.960 0.000 0.000 0.282 524 G HA3 0.302 4.263 3.960 0.000 0.000 0.282 524 G C 0.125 175.034 174.900 0.014 0.000 1.262 524 G CA -0.369 44.739 45.100 0.014 0.000 1.473 524 G HN 0.445 nan 8.290 nan 0.000 0.624 525 K N -0.451 119.954 120.400 0.007 0.000 2.340 525 K HA 0.769 5.089 4.320 0.000 0.000 0.244 525 K C -0.452 176.162 176.600 0.024 0.000 0.973 525 K CA -1.093 55.202 56.287 0.013 0.000 0.828 525 K CB 2.243 34.749 32.500 0.010 0.000 1.226 525 K HN -0.002 nan 8.250 nan 0.000 0.437 526 A N 1.536 124.374 122.820 0.031 0.000 2.444 526 A HA 0.308 4.628 4.320 0.000 0.000 0.287 526 A C -0.324 177.294 177.584 0.056 0.000 1.195 526 A CA -0.346 51.715 52.037 0.040 0.000 0.858 526 A CB -0.285 18.734 19.000 0.032 0.000 1.117 526 A HN 0.488 nan 8.150 nan 0.000 0.521 527 V N 3.963 123.921 119.914 0.073 0.000 2.789 527 V HA 0.295 4.415 4.120 0.000 0.000 0.311 527 V C 1.122 177.264 176.094 0.080 0.000 1.073 527 V CA -0.437 61.924 62.300 0.102 0.000 0.921 527 V CB 1.859 33.789 31.823 0.180 0.000 1.009 527 V HN 1.057 nan 8.190 nan 0.000 0.426 528 Q N 3.675 123.514 119.800 0.066 0.000 2.061 528 Q HA -0.151 4.190 4.340 0.000 0.000 0.204 528 Q C 1.737 177.767 176.000 0.050 0.000 0.984 528 Q CA 2.869 58.701 55.803 0.049 0.000 0.846 528 Q CB -0.479 28.281 28.738 0.036 0.000 0.902 528 Q HN 1.125 nan 8.270 nan 0.000 0.421 529 S N -0.820 114.914 115.700 0.057 0.000 2.584 529 S HA 0.188 4.658 4.470 0.000 0.000 0.240 529 S C 1.079 175.720 174.600 0.068 0.000 0.975 529 S CA 0.879 59.112 58.200 0.054 0.000 0.949 529 S CB -0.129 63.101 63.200 0.050 0.000 0.761 529 S HN 0.829 nan 8.310 nan 0.000 0.536 530 G N 1.086 109.931 108.800 0.075 0.000 2.130 530 G HA2 -0.036 3.924 3.960 0.000 0.000 0.151 530 G HA3 -0.036 3.924 3.960 0.000 0.000 0.151 530 G C -1.236 173.713 174.900 0.083 0.000 1.173 530 G CA -0.372 44.772 45.100 0.073 0.000 1.278 530 G HN 0.372 nan 8.290 nan 0.000 0.479 531 N N -0.415 118.337 118.700 0.088 0.000 2.518 531 N HA 0.635 5.375 4.740 0.000 0.000 0.284 531 N C 0.107 175.665 175.510 0.079 0.000 1.230 531 N CA -0.233 52.860 53.050 0.073 0.000 0.941 531 N CB 1.900 40.423 38.487 0.061 0.000 1.219 531 N HN 0.427 nan 8.380 nan 0.000 0.560 532 V N 1.101 121.010 119.914 -0.009 0.000 2.953 532 V HA 0.340 4.460 4.120 0.000 0.000 0.304 532 V C 1.243 177.186 176.094 -0.252 0.000 1.073 532 V CA 0.225 62.395 62.300 -0.216 0.000 1.064 532 V CB 0.282 31.907 31.823 -0.330 0.000 1.047 532 V HN 0.979 nan 8.190 nan 0.000 0.478 533 E N 2.744 122.663 120.200 -0.468 0.000 4.938 533 E HA -0.231 4.119 4.350 0.000 0.000 0.194 533 E C -1.976 174.611 176.600 -0.023 0.000 1.530 533 E CA 0.951 57.223 56.400 -0.214 0.000 2.609 533 E CB -2.758 nan 29.700 nan 0.000 2.101 533 E HN 0.800 nan 8.360 nan 0.000 0.418 534 P HA 0.408 nan 4.420 nan 0.000 0.289 534 P C -0.602 176.694 177.300 -0.006 0.000 1.299 534 P CA -0.127 62.851 63.100 -0.203 0.000 0.766 534 P CB 0.429 31.927 31.700 -0.337 0.000 1.226 535 E N 0.062 120.230 120.200 -0.053 0.000 2.256 535 E HA 0.221 4.571 4.350 0.000 0.000 0.243 535 E C -0.832 175.815 176.600 0.078 0.000 0.925 535 E CA -0.485 55.997 56.400 0.137 0.000 0.748 535 E CB 0.591 30.420 29.700 0.214 0.000 1.206 535 E HN 0.188 nan 8.360 nan 0.000 0.428 536 K N 1.358 121.813 120.400 0.092 0.000 2.205 536 K HA 0.633 4.954 4.320 0.000 0.000 0.279 536 K C -0.713 175.789 176.600 -0.163 0.000 1.027 536 K CA -0.266 56.046 56.287 0.041 0.000 0.932 536 K CB 1.760 34.309 32.500 0.082 0.000 1.032 536 K HN 0.386 nan 8.250 nan 0.000 0.466 537 A N 2.067 124.730 122.820 -0.261 0.000 2.547 537 A HA 0.712 5.033 4.320 0.000 0.000 0.297 537 A C -1.457 175.981 177.584 -0.244 0.000 1.056 537 A CA -0.751 51.004 52.037 -0.470 0.000 0.688 537 A CB 1.448 19.732 19.000 -1.193 0.000 1.282 537 A HN 0.551 nan 8.150 nan 0.000 0.400 538 R N 0.478 120.900 120.500 -0.130 0.000 2.664 538 R HA 0.839 5.179 4.340 0.000 0.000 0.286 538 R C -0.978 175.334 176.300 0.019 0.000 0.967 538 R CA 0.125 56.206 56.100 -0.032 0.000 0.933 538 R CB 1.587 31.970 30.300 0.139 0.000 1.146 538 R HN 0.671 nan 8.270 nan 0.000 0.468 539 T N 2.965 117.467 114.554 -0.086 0.000 2.876 539 T HA 0.498 4.849 4.350 0.000 0.000 0.289 539 T C -1.446 173.172 174.700 -0.136 0.000 1.014 539 T CA -0.308 61.799 62.100 0.012 0.000 0.986 539 T CB 0.697 69.538 68.868 -0.044 0.000 1.021 539 T HN 0.471 nan 8.240 nan 0.000 0.458 540 W N 1.988 123.343 121.300 0.092 0.000 2.499 540 W HA 0.496 5.156 4.660 0.001 0.000 0.320 540 W C 0.042 176.654 176.519 0.155 0.000 1.010 540 W CA -0.685 56.722 57.345 0.104 0.000 1.267 540 W CB 0.866 30.378 29.460 0.088 0.000 1.316 540 W HN 0.537 nan 8.180 nan 0.000 0.431 541 E N 2.700 123.074 120.200 0.290 0.000 2.195 541 E HA 0.628 4.979 4.350 0.000 0.000 0.271 541 E C -1.452 175.337 176.600 0.316 0.000 0.923 541 E CA -1.429 55.163 56.400 0.321 0.000 0.790 541 E CB 2.601 32.491 29.700 0.317 0.000 1.155 541 E HN 0.231 nan 8.360 nan 0.000 0.402 542 L N 1.835 123.217 121.223 0.265 0.000 2.457 542 L HA 0.635 4.975 4.340 0.000 0.000 0.266 542 L C -0.776 176.075 176.870 -0.031 0.000 0.979 542 L CA 0.059 54.983 54.840 0.139 0.000 0.857 542 L CB 1.330 43.458 42.059 0.116 0.000 1.213 542 L HN 0.623 nan 8.230 nan 0.000 0.418 543 G N 1.223 109.763 108.800 -0.433 0.000 2.788 543 G HA2 0.674 4.634 3.960 0.000 0.000 0.293 543 G HA3 0.674 4.634 3.960 0.000 0.000 0.293 543 G C -1.529 172.858 174.900 -0.855 0.000 1.392 543 G CA -0.309 44.338 45.100 -0.755 0.000 0.810 543 G HN 0.516 nan 8.290 nan 0.000 0.508 544 T N -1.046 113.237 114.554 -0.452 0.000 2.933 544 T HA 0.659 5.010 4.350 0.000 0.000 0.305 544 T C -1.325 173.439 174.700 0.107 0.000 1.092 544 T CA -0.654 61.410 62.100 -0.061 0.000 1.008 544 T CB 1.671 70.690 68.868 0.252 0.000 1.102 544 T HN 0.594 nan 8.240 nan 0.000 0.469 545 R N 3.338 123.987 120.500 0.249 0.000 2.473 545 R HA 0.467 4.808 4.340 0.000 0.000 0.303 545 R C -1.905 174.693 176.300 0.496 0.000 1.002 545 R CA -0.663 55.637 56.100 0.332 0.000 0.884 545 R CB 1.084 31.565 30.300 0.301 0.000 1.173 545 R HN 0.685 nan 8.270 nan 0.000 0.464 546 Y N 2.177 122.620 120.300 0.237 0.000 2.457 546 Y HA 0.453 5.003 4.550 0.000 0.000 0.333 546 Y C -0.949 175.001 175.900 0.085 0.000 1.119 546 Y CA -0.510 57.666 58.100 0.126 0.000 1.143 546 Y CB 1.726 40.092 38.460 -0.156 0.000 1.230 546 Y HN 0.666 nan 8.280 nan 0.000 0.469 547 D N 2.237 122.543 120.400 -0.156 0.000 2.521 547 D HA 0.271 4.912 4.640 0.000 0.000 0.195 547 D C -1.350 174.834 176.300 -0.193 0.000 1.286 547 D CA 0.500 54.455 54.000 -0.075 0.000 0.854 547 D CB 0.619 41.258 40.800 -0.268 0.000 1.723 547 D HN 0.711 nan 8.370 nan 0.000 0.550 548 D N 1.853 122.307 120.400 0.090 0.000 2.740 548 D HA 0.487 5.127 4.640 0.000 0.000 0.301 548 D C 1.288 177.614 176.300 0.043 0.000 1.408 548 D CA 0.151 54.189 54.000 0.063 0.000 0.808 548 D CB -0.070 nan 40.800 nan 0.000 1.128 548 D HN 1.019 nan 8.370 nan 0.000 0.465 549 G N -1.190 107.616 108.800 0.010 0.000 2.186 549 G HA2 0.018 3.978 3.960 0.000 0.000 0.266 549 G HA3 0.018 3.978 3.960 0.000 0.000 0.266 549 G C 1.073 175.990 174.900 0.029 0.000 0.982 549 G CA 1.668 46.774 45.100 0.010 0.000 0.670 549 G HN 1.752 nan 8.290 nan 0.000 0.533 550 A N -1.954 120.893 122.820 0.046 0.000 1.690 550 A HA 0.638 4.958 4.320 0.000 0.000 0.213 550 A C 0.460 178.066 177.584 0.036 0.000 1.785 550 A CA 0.959 53.018 52.037 0.037 0.000 1.230 550 A CB 0.476 19.493 19.000 0.028 0.000 1.175 550 A HN 1.178 nan 8.150 nan 0.000 0.468 551 L N 2.252 123.502 121.223 0.044 0.000 2.318 551 L HA 0.578 4.919 4.340 0.000 0.000 0.277 551 L C -1.102 175.815 176.870 0.079 0.000 1.008 551 L CA 0.245 55.088 54.840 0.006 0.000 0.846 551 L CB 0.678 42.672 42.059 -0.108 0.000 1.220 551 L HN 0.236 nan 8.230 nan 0.000 0.423 552 T N 4.323 118.929 114.554 0.087 0.000 2.794 552 T HA 0.857 5.207 4.350 0.000 0.000 0.280 552 T C -0.642 174.123 174.700 0.108 0.000 0.987 552 T CA -0.146 62.039 62.100 0.142 0.000 0.993 552 T CB 1.074 70.005 68.868 0.105 0.000 0.939 552 T HN 0.880 nan 8.240 nan 0.000 0.449 553 A N 4.165 127.074 122.820 0.148 0.000 2.566 553 A HA 0.751 5.072 4.320 0.000 0.000 0.297 553 A C -1.145 176.529 177.584 0.150 0.000 1.059 553 A CA -0.933 51.165 52.037 0.100 0.000 0.691 553 A CB 1.419 20.416 19.000 -0.006 0.000 1.282 553 A HN 0.893 nan 8.150 nan 0.000 0.401 554 E N 1.040 121.321 120.200 0.135 0.000 2.331 554 E HA 0.770 5.120 4.350 0.000 0.000 0.275 554 E C -0.988 175.691 176.600 0.132 0.000 0.895 554 E CA -0.807 55.688 56.400 0.157 0.000 0.753 554 E CB 2.082 31.896 29.700 0.190 0.000 1.216 554 E HN 0.865 nan 8.360 nan 0.000 0.434 555 M N 2.038 121.709 119.600 0.118 0.000 2.413 555 M HA 0.696 5.176 4.480 0.000 0.000 0.287 555 M C -1.818 174.531 176.300 0.083 0.000 1.186 555 M CA -0.139 55.226 55.300 0.109 0.000 0.927 555 M CB 2.445 35.097 32.600 0.087 0.000 1.715 555 M HN 0.824 nan 8.290 nan 0.000 0.478 556 G N 3.566 112.434 108.800 0.112 0.000 2.667 556 G HA2 0.596 4.556 3.960 0.000 0.000 0.294 556 G HA3 0.596 4.556 3.960 0.000 0.000 0.294 556 G C -2.411 172.564 174.900 0.125 0.000 1.467 556 G CA -0.817 44.345 45.100 0.103 0.000 0.852 556 G HN 0.786 nan 8.290 nan 0.000 0.521 557 L N 0.720 122.000 121.223 0.095 0.000 2.325 557 L HA 0.788 5.128 4.340 0.000 0.000 0.278 557 L C -0.492 176.448 176.870 0.116 0.000 1.023 557 L CA -0.983 53.867 54.840 0.017 0.000 0.811 557 L CB 1.731 43.786 42.059 -0.008 0.000 1.249 557 L HN 0.648 nan 8.230 nan 0.000 0.431 558 F N 1.903 121.933 119.950 0.133 0.000 2.599 558 F HA 0.804 5.332 4.527 0.000 0.000 0.311 558 F C -1.551 174.337 175.800 0.147 0.000 1.076 558 F CA -1.336 56.754 58.000 0.149 0.000 0.937 558 F CB 1.346 40.419 39.000 0.123 0.000 1.282 558 F HN 0.283 nan 8.300 nan 0.000 0.460 559 L N 4.037 125.568 121.223 0.513 0.000 2.436 559 L HA 0.715 5.055 4.340 0.000 0.000 0.268 559 L C -1.702 175.437 176.870 0.448 0.000 0.974 559 L CA -0.706 54.377 54.840 0.405 0.000 0.826 559 L CB 1.989 44.179 42.059 0.219 0.000 1.291 559 L HN 0.800 nan 8.230 nan 0.000 0.406 560 I N 4.334 125.140 120.570 0.393 0.000 2.534 560 I HA 0.381 4.551 4.170 0.000 0.000 0.288 560 I C -1.019 175.269 176.117 0.286 0.000 1.077 560 I CA -0.651 60.823 61.300 0.289 0.000 1.051 560 I CB 2.148 40.266 38.000 0.196 0.000 1.234 560 I HN 0.536 nan 8.210 nan 0.000 0.425 561 N N 5.695 124.503 118.700 0.181 0.000 2.372 561 N HA 0.488 5.228 4.740 0.000 0.000 0.285 561 N C -1.504 174.027 175.510 0.036 0.000 1.008 561 N CA -0.342 52.806 53.050 0.163 0.000 0.880 561 N CB 2.361 40.926 38.487 0.131 0.000 1.239 561 N HN 0.315 nan 8.380 nan 0.000 0.484 562 F N 2.573 122.592 119.950 0.115 0.000 2.426 562 F HA 0.237 4.764 4.527 0.000 0.000 0.348 562 F C 1.921 177.754 175.800 0.054 0.000 1.124 562 F CA -0.900 57.146 58.000 0.077 0.000 1.008 562 F CB 1.074 40.122 39.000 0.081 0.000 1.139 562 F HN 0.428 nan 8.300 nan 0.000 0.452 563 N N 2.340 121.158 118.700 0.196 0.000 2.205 563 N HA -0.153 4.588 4.740 0.000 0.000 0.186 563 N C 0.073 175.668 175.510 0.142 0.000 1.015 563 N CA 1.148 54.287 53.050 0.148 0.000 0.862 563 N CB 0.002 38.564 38.487 0.126 0.000 0.986 563 N HN 0.546 nan 8.380 nan 0.000 0.429 564 N N -1.152 117.665 118.700 0.195 0.000 3.501 564 N HA 0.157 4.897 4.740 0.000 0.000 0.235 564 N C -2.056 173.413 175.510 -0.068 0.000 1.442 564 N CA -0.404 52.641 53.050 -0.008 0.000 0.872 564 N CB 1.191 39.593 38.487 -0.141 0.000 1.414 564 N HN 0.117 nan 8.380 nan 0.000 0.485 565 Q N 0.794 120.359 119.800 -0.393 0.000 2.295 565 Q HA 0.423 4.763 4.340 0.000 0.000 0.268 565 Q C -1.601 174.104 176.000 -0.493 0.000 1.010 565 Q CA -0.489 55.094 55.803 -0.368 0.000 0.856 565 Q CB 2.313 30.814 28.738 -0.394 0.000 1.349 565 Q HN 0.482 nan 8.270 nan 0.000 0.412 566 Y N 0.389 120.635 120.300 -0.089 0.000 2.446 566 Y HA 0.383 4.933 4.550 0.000 0.000 0.338 566 Y C 0.364 176.225 175.900 -0.064 0.000 1.055 566 Y CA -0.587 57.479 58.100 -0.057 0.000 1.101 566 Y CB 1.403 39.838 38.460 -0.042 0.000 1.221 566 Y HN 0.599 nan 8.280 nan 0.000 0.460 567 D N -0.402 120.060 120.400 0.103 0.000 3.132 567 D HA 0.258 4.898 4.640 0.000 0.000 0.233 567 D C 0.800 177.129 176.300 0.049 0.000 1.216 567 D CA 1.111 55.141 54.000 0.051 0.000 1.227 567 D CB 0.405 41.239 40.800 0.057 0.000 0.930 567 D HN 0.546 nan 8.370 nan 0.000 0.202 568 S N -1.013 114.713 115.700 0.044 0.000 5.984 568 S HA -0.013 4.457 4.470 0.000 0.000 0.117 568 S C -0.199 174.409 174.600 0.012 0.000 1.161 568 S CA 0.572 58.786 58.200 0.024 0.000 1.393 568 S CB 0.241 63.442 63.200 0.002 0.000 1.908 568 S HN 0.479 nan 8.310 nan 0.000 0.533 569 N N 1.554 120.250 118.700 -0.006 0.000 2.643 569 N HA -0.166 4.575 4.740 0.000 0.000 0.267 569 N C 0.509 176.001 175.510 -0.030 0.000 1.158 569 N CA 0.615 53.642 53.050 -0.038 0.000 0.684 569 N CB -0.313 38.153 38.487 -0.035 0.000 0.879 569 N HN 0.488 nan 8.380 nan 0.000 0.553 570 Q N -0.444 119.339 119.800 -0.029 0.000 2.248 570 Q HA -0.157 4.183 4.340 0.000 0.000 0.208 570 Q C 2.104 178.095 176.000 -0.016 0.000 0.984 570 Q CA 2.279 58.074 55.803 -0.014 0.000 0.875 570 Q CB -0.527 28.208 28.738 -0.006 0.000 0.910 570 Q HN 0.853 nan 8.270 nan 0.000 0.433 571 T N -0.003 114.532 114.554 -0.032 0.000 2.977 571 T HA -0.097 4.253 4.350 0.000 0.000 0.271 571 T C 1.022 175.707 174.700 -0.025 0.000 1.105 571 T CA 1.322 63.405 62.100 -0.028 0.000 1.116 571 T CB -0.162 68.680 68.868 -0.044 0.000 0.878 571 T HN 0.368 nan 8.240 nan 0.000 0.509 572 N N -0.059 118.628 118.700 -0.023 0.000 2.387 572 N HA 0.098 4.838 4.740 0.000 0.000 0.259 572 N C -0.360 175.143 175.510 -0.010 0.000 1.369 572 N CA 0.176 53.215 53.050 -0.018 0.000 0.867 572 N CB -0.250 38.227 38.487 -0.018 0.000 1.341 572 N HN 0.258 nan 8.380 nan 0.000 0.495 573 D N 0.111 120.507 120.400 -0.007 0.000 2.702 573 D HA -0.204 4.437 4.640 0.000 0.000 0.233 573 D C -0.218 176.086 176.300 0.006 0.000 1.164 573 D CA 1.772 55.773 54.000 -0.000 0.000 0.638 573 D CB -0.909 39.889 40.800 -0.003 0.000 1.041 573 D HN 0.691 nan 8.370 nan 0.000 0.422 574 T N -4.311 110.248 114.554 0.008 0.000 2.819 574 T HA 0.774 5.124 4.350 0.000 0.000 0.271 574 T C 0.002 174.719 174.700 0.029 0.000 0.986 574 T CA -0.631 61.479 62.100 0.018 0.000 0.989 574 T CB 1.912 70.791 68.868 0.019 0.000 1.396 574 T HN 0.059 nan 8.240 nan 0.000 0.597 575 V N 0.752 120.695 119.914 0.048 0.000 2.668 575 V HA 0.502 4.622 4.120 0.000 0.000 0.304 575 V C -0.396 175.762 176.094 0.106 0.000 1.071 575 V CA -0.748 61.599 62.300 0.078 0.000 0.894 575 V CB 2.031 33.902 31.823 0.080 0.000 1.008 575 V HN 1.142 nan 8.190 nan 0.000 0.425 576 T N 4.481 119.099 114.554 0.107 0.000 2.799 576 T HA 0.704 5.054 4.350 0.000 0.000 0.286 576 T C 0.233 174.982 174.700 0.082 0.000 0.973 576 T CA -0.036 62.117 62.100 0.088 0.000 1.035 576 T CB 1.543 70.458 68.868 0.078 0.000 0.932 576 T HN 0.934 nan 8.240 nan 0.000 0.469 577 A N 2.606 125.443 122.820 0.029 0.000 2.279 577 A HA 0.646 4.966 4.320 0.000 0.000 0.303 577 A C 1.033 178.518 177.584 -0.164 0.000 1.108 577 A CA -0.591 51.359 52.037 -0.145 0.000 0.830 577 A CB 0.686 19.628 19.000 -0.096 0.000 1.106 577 A HN 0.921 nan 8.150 nan 0.000 0.493 578 R N 0.375 120.712 120.500 -0.271 0.000 2.469 578 R HA 0.395 4.736 4.340 0.000 0.000 0.250 578 R C 0.839 177.050 176.300 -0.149 0.000 0.909 578 R CA 1.034 57.030 56.100 -0.173 0.000 1.050 578 R CB 0.254 30.448 30.300 -0.177 0.000 1.256 578 R HN 1.843 nan 8.270 nan 0.000 0.550 579 G N 1.896 110.582 108.800 -0.190 0.000 2.693 579 G HA2 -0.324 3.636 3.960 0.000 0.000 0.226 579 G HA3 -0.324 3.636 3.960 0.000 0.000 0.226 579 G C -1.120 173.743 174.900 -0.063 0.000 1.354 579 G CA -0.118 44.920 45.100 -0.103 0.000 0.873 579 G HN 0.283 nan 8.290 nan 0.000 0.562 580 K N 0.421 120.823 120.400 0.003 0.000 2.326 580 K HA 0.571 4.892 4.320 0.000 0.000 0.275 580 K C 0.520 177.148 176.600 0.046 0.000 1.018 580 K CA 0.652 56.973 56.287 0.056 0.000 0.962 580 K CB 0.418 32.961 32.500 0.071 0.000 0.953 580 K HN 1.116 nan 8.250 nan 0.000 0.475 581 T N 0.883 115.498 114.554 0.101 0.000 2.952 581 T HA 0.373 4.723 4.350 0.000 0.000 0.305 581 T C -1.060 173.715 174.700 0.124 0.000 1.064 581 T CA -1.056 61.067 62.100 0.038 0.000 1.008 581 T CB 1.321 70.174 68.868 -0.024 0.000 1.078 581 T HN 0.631 nan 8.240 nan 0.000 0.459 582 R N 2.070 122.567 120.500 -0.005 0.000 2.343 582 R HA 0.388 4.728 4.340 0.000 0.000 0.320 582 R C -0.857 175.427 176.300 -0.027 0.000 0.956 582 R CA -0.693 55.450 56.100 0.072 0.000 0.836 582 R CB 0.706 31.032 30.300 0.043 0.000 1.151 582 R HN 0.790 nan 8.270 nan 0.000 0.450 583 H N 3.611 122.780 119.070 0.164 0.000 2.581 583 H HA 0.225 4.781 4.556 0.000 0.000 0.308 583 H C -0.481 175.062 175.328 0.359 0.000 1.040 583 H CA -0.460 55.717 56.048 0.216 0.000 1.231 583 H CB 1.700 31.579 29.762 0.195 0.000 1.396 583 H HN 0.638 nan 8.280 nan 0.000 0.467 584 T N 0.990 115.721 114.554 0.295 0.000 2.876 584 T HA 0.755 5.105 4.350 0.000 0.000 0.289 584 T C 0.414 174.892 174.700 -0.370 0.000 1.014 584 T CA -0.965 61.147 62.100 0.019 0.000 0.986 584 T CB 2.695 71.542 68.868 -0.035 0.000 1.021 584 T HN 0.717 nan 8.240 nan 0.000 0.458 585 G N 0.634 108.661 108.800 -1.288 0.000 2.430 585 G HA2 0.544 4.505 3.960 0.000 0.000 0.300 585 G HA3 0.544 4.505 3.960 0.000 0.000 0.300 585 G C -2.346 172.015 174.900 -0.899 0.000 1.330 585 G CA -0.937 43.538 45.100 -1.042 0.000 0.813 585 G HN 0.982 nan 8.290 nan 0.000 0.487 586 L N 0.063 121.139 121.223 -0.244 0.000 2.385 586 L HA 0.767 5.107 4.340 0.000 0.000 0.273 586 L C -0.787 176.147 176.870 0.107 0.000 0.990 586 L CA -0.690 54.138 54.840 -0.019 0.000 0.821 586 L CB 1.994 44.114 42.059 0.102 0.000 1.279 586 L HN 0.695 nan 8.230 nan 0.000 0.412 587 E N 2.584 122.884 120.200 0.166 0.000 2.238 587 E HA 0.629 4.979 4.350 0.000 0.000 0.267 587 E C -1.271 175.431 176.600 0.169 0.000 0.887 587 E CA -0.713 55.791 56.400 0.172 0.000 0.769 587 E CB 2.661 32.493 29.700 0.220 0.000 1.187 587 E HN 0.464 nan 8.360 nan 0.000 0.416 588 T N 1.466 116.121 114.554 0.168 0.000 2.977 588 T HA 0.299 4.650 4.350 0.000 0.000 0.345 588 T C -2.131 172.671 174.700 0.170 0.000 1.562 588 T CA -0.617 61.587 62.100 0.173 0.000 1.090 588 T CB 1.288 70.270 68.868 0.189 0.000 1.383 588 T HN 0.651 nan 8.240 nan 0.000 0.484 589 Q N 1.647 121.532 119.800 0.141 0.000 2.630 589 Q HA 0.870 5.211 4.340 0.000 0.000 0.295 589 Q C -1.728 174.341 176.000 0.114 0.000 0.944 589 Q CA -1.372 54.509 55.803 0.130 0.000 0.766 589 Q CB 1.675 30.471 28.738 0.097 0.000 1.471 589 Q HN 1.102 nan 8.270 nan 0.000 0.416 590 A N 0.603 123.494 122.820 0.119 0.000 2.590 590 A HA 0.778 5.098 4.320 0.000 0.000 0.294 590 A C -1.871 175.796 177.584 0.139 0.000 1.046 590 A CA -0.684 51.416 52.037 0.104 0.000 0.684 590 A CB 2.035 21.075 19.000 0.066 0.000 1.279 590 A HN 0.678 nan 8.150 nan 0.000 0.415 591 R N 0.006 120.580 120.500 0.123 0.000 2.628 591 R HA 0.737 5.077 4.340 0.000 0.000 0.288 591 R C -1.381 174.973 176.300 0.090 0.000 0.980 591 R CA -0.250 55.941 56.100 0.152 0.000 0.891 591 R CB 1.598 31.995 30.300 0.162 0.000 1.188 591 R HN 1.493 nan 8.270 nan 0.000 0.450 592 Y N 0.958 121.303 120.300 0.075 0.000 2.462 592 Y HA 0.364 4.914 4.550 0.000 0.000 0.346 592 Y C -0.809 175.112 175.900 0.036 0.000 0.976 592 Y CA -1.221 56.901 58.100 0.036 0.000 1.044 592 Y CB 1.696 nan 38.460 nan 0.000 1.230 592 Y HN 0.681 nan 8.280 nan 0.000 0.455 593 D N 3.397 123.813 120.400 0.027 0.000 2.483 593 D HA 0.184 4.824 4.640 0.000 0.000 0.220 593 D C 1.052 177.359 176.300 0.010 0.000 1.173 593 D CA 0.112 54.128 54.000 0.028 0.000 0.964 593 D CB 0.475 41.292 40.800 0.029 0.000 1.046 593 D HN 0.739 nan 8.370 nan 0.000 0.517 594 L N 2.482 123.707 121.223 0.003 0.000 2.349 594 L HA -0.116 4.224 4.340 0.000 0.000 0.220 594 L C 2.291 179.149 176.870 -0.020 0.000 1.130 594 L CA 1.013 55.843 54.840 -0.017 0.000 0.791 594 L CB -0.027 42.011 42.059 -0.035 0.000 0.918 594 L HN 0.423 nan 8.230 nan 0.000 0.444 595 G N -1.725 107.072 108.800 -0.005 0.000 2.509 595 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 595 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 595 G C 1.424 176.322 174.900 -0.004 0.000 1.124 595 G CA 0.772 45.870 45.100 -0.003 0.000 0.776 595 G HN 0.220 nan 8.290 nan 0.000 0.547 596 T N 0.622 115.174 114.554 -0.003 0.000 3.160 596 T HA 0.191 4.541 4.350 0.000 0.000 0.257 596 T C 1.844 176.537 174.700 -0.012 0.000 1.147 596 T CA 0.313 62.410 62.100 -0.004 0.000 1.064 596 T CB -0.110 68.758 68.868 -0.001 0.000 0.949 596 T HN 0.202 nan 8.240 nan 0.000 0.526 597 L N -0.835 120.377 121.223 -0.018 0.000 2.749 597 L HA 0.345 4.685 4.340 0.000 0.000 0.242 597 L C 0.803 177.659 176.870 -0.024 0.000 1.103 597 L CA 0.095 54.921 54.840 -0.023 0.000 0.906 597 L CB 0.840 42.882 42.059 -0.029 0.000 1.228 597 L HN 0.113 nan 8.230 nan 0.000 0.517 598 T N -1.694 112.845 114.554 -0.025 0.000 2.831 598 T HA 0.253 4.604 4.350 0.000 0.000 0.333 598 T C -2.517 172.167 174.700 -0.027 0.000 1.684 598 T CA -0.536 61.548 62.100 -0.027 0.000 1.049 598 T CB 1.707 70.554 68.868 -0.036 0.000 1.518 598 T HN -0.347 nan 8.240 nan 0.000 0.491 599 P HA 0.114 nan 4.420 nan 0.000 0.224 599 P C 1.405 178.685 177.300 -0.033 0.000 1.157 599 P CA 0.790 63.879 63.100 -0.018 0.000 0.799 599 P CB 0.080 31.773 31.700 -0.011 0.000 0.809 600 T N -0.135 114.391 114.554 -0.047 0.000 2.778 600 T HA -0.095 4.256 4.350 0.000 0.000 0.269 600 T C 1.155 175.789 174.700 -0.110 0.000 1.050 600 T CA 1.085 63.142 62.100 -0.071 0.000 1.137 600 T CB -0.596 68.229 68.868 -0.071 0.000 0.860 600 T HN 0.132 nan 8.240 nan 0.000 0.468 601 L N 1.108 122.273 121.223 -0.096 0.000 2.928 601 L HA 0.319 4.659 4.340 0.000 0.000 0.246 601 L C 0.113 176.935 176.870 -0.080 0.000 1.239 601 L CA -0.465 54.300 54.840 -0.125 0.000 1.035 601 L CB 0.088 42.087 42.059 -0.100 0.000 1.360 601 L HN 0.074 nan 8.230 nan 0.000 0.529 602 D N 0.847 121.220 120.400 -0.045 0.000 2.390 602 D HA 0.015 4.655 4.640 0.000 0.000 0.249 602 D C 0.421 176.758 176.300 0.061 0.000 1.144 602 D CA 0.480 54.486 54.000 0.010 0.000 0.880 602 D CB 0.291 41.105 40.800 0.023 0.000 1.182 602 D HN 0.206 nan 8.370 nan 0.000 0.451 603 N N 1.194 119.947 118.700 0.088 0.000 2.783 603 N HA -0.153 4.587 4.740 0.000 0.000 0.247 603 N C -1.345 174.309 175.510 0.241 0.000 1.089 603 N CA 0.098 53.247 53.050 0.164 0.000 0.690 603 N CB -0.527 38.082 38.487 0.204 0.000 0.991 603 N HN 0.125 nan 8.380 nan 0.000 0.552 604 V N -0.190 119.784 119.914 0.101 0.000 2.960 604 V HA 0.796 4.916 4.120 0.000 0.000 0.315 604 V C -0.108 176.020 176.094 0.057 0.000 1.087 604 V CA -0.454 61.874 62.300 0.047 0.000 0.982 604 V CB 2.188 33.931 31.823 -0.133 0.000 1.039 604 V HN 0.120 nan 8.190 nan 0.000 0.437 605 S N 2.622 118.354 115.700 0.054 0.000 2.562 605 S HA 0.662 5.132 4.470 0.000 0.000 0.274 605 S C -1.207 173.384 174.600 -0.015 0.000 1.160 605 S CA -0.543 57.685 58.200 0.047 0.000 0.933 605 S CB 1.100 64.361 63.200 0.101 0.000 1.100 605 S HN 0.732 nan 8.310 nan 0.000 0.468 606 I N 2.738 123.295 120.570 -0.022 0.000 2.509 606 I HA 0.888 5.058 4.170 0.000 0.000 0.293 606 I C -1.218 174.900 176.117 0.002 0.000 1.020 606 I CA -0.949 60.296 61.300 -0.093 0.000 1.088 606 I CB 1.583 39.551 38.000 -0.052 0.000 1.267 606 I HN 0.621 nan 8.210 nan 0.000 0.430 607 Y N 3.820 124.170 120.300 0.084 0.000 2.605 607 Y HA 0.981 5.531 4.550 0.000 0.000 0.343 607 Y C -0.859 175.097 175.900 0.094 0.000 1.036 607 Y CA -1.883 56.265 58.100 0.080 0.000 1.065 607 Y CB 1.118 39.626 38.460 0.081 0.000 1.288 607 Y HN 0.979 nan 8.280 nan 0.000 0.481 608 A N 1.136 124.212 122.820 0.426 0.000 2.612 608 A HA 0.853 5.173 4.320 0.000 0.000 0.293 608 A C -1.206 176.527 177.584 0.248 0.000 1.075 608 A CA -0.177 52.067 52.037 0.346 0.000 0.680 608 A CB 1.183 20.324 19.000 0.236 0.000 1.279 608 A HN 1.749 nan 8.150 nan 0.000 0.411 609 S N -0.021 115.831 115.700 0.254 0.000 2.556 609 S HA 0.846 5.316 4.470 0.000 0.000 0.271 609 S C -1.136 173.660 174.600 0.326 0.000 1.135 609 S CA -0.574 57.749 58.200 0.204 0.000 0.858 609 S CB 1.567 64.813 63.200 0.078 0.000 1.114 609 S HN 2.091 nan 8.310 nan 0.000 0.468 610 Y N 0.573 120.965 120.300 0.154 0.000 2.670 610 Y HA 0.767 5.318 4.550 0.000 0.000 0.334 610 Y C -1.816 174.183 175.900 0.164 0.000 1.185 610 Y CA -0.141 58.082 58.100 0.205 0.000 1.053 610 Y CB 1.517 40.116 38.460 0.232 0.000 1.298 610 Y HN 1.486 nan 8.280 nan 0.000 0.459 611 A N 3.006 125.279 122.820 -0.912 0.000 2.530 611 A HA 0.506 4.826 4.320 0.000 0.000 0.297 611 A C -2.782 174.382 177.584 -0.700 0.000 1.059 611 A CA -0.449 51.245 52.037 -0.571 0.000 0.782 611 A CB 0.411 19.296 19.000 -0.192 0.000 1.301 611 A HN 0.775 nan 8.150 nan 0.000 0.394 612 Y N 2.361 122.375 120.300 -0.476 0.000 2.331 612 Y HA 0.635 5.185 4.550 0.000 0.000 0.338 612 Y C -0.961 174.871 175.900 -0.113 0.000 0.992 612 Y CA -0.887 57.064 58.100 -0.247 0.000 1.121 612 Y CB 1.665 40.110 38.460 -0.025 0.000 1.184 612 Y HN 0.534 nan 8.280 nan 0.000 0.469 613 V N 6.964 126.479 119.914 -0.664 0.000 2.462 613 V HA 0.228 4.348 4.120 0.000 0.000 0.288 613 V C -1.066 174.712 176.094 -0.527 0.000 1.020 613 V CA -0.864 61.222 62.300 -0.356 0.000 0.857 613 V CB 1.430 33.213 31.823 -0.066 0.000 1.013 613 V HN 0.788 nan 8.190 nan 0.000 0.431 614 N N 3.990 122.412 118.700 -0.463 0.000 2.444 614 N HA 0.711 5.451 4.740 0.000 0.000 0.262 614 N C -0.500 174.908 175.510 -0.170 0.000 0.974 614 N CA -0.101 52.744 53.050 -0.341 0.000 0.933 614 N CB 1.643 39.975 38.487 -0.259 0.000 1.137 614 N HN 0.782 nan 8.380 nan 0.000 0.498 615 A N 3.413 126.110 122.820 -0.205 0.000 2.340 615 A HA 0.463 4.783 4.320 0.000 0.000 0.297 615 A C -0.671 176.725 177.584 -0.315 0.000 1.195 615 A CA -0.750 51.078 52.037 -0.348 0.000 0.769 615 A CB 0.416 19.173 19.000 -0.406 0.000 1.163 615 A HN 0.786 nan 8.150 nan 0.000 0.472 616 E N 1.886 121.912 120.200 -0.290 0.000 2.320 616 E HA 0.669 5.019 4.350 0.000 0.000 0.264 616 E C -1.420 175.060 176.600 -0.200 0.000 0.923 616 E CA -0.974 55.290 56.400 -0.228 0.000 0.796 616 E CB 1.357 30.942 29.700 -0.192 0.000 1.262 616 E HN 0.269 nan 8.360 nan 0.000 0.428 617 I N 2.716 123.178 120.570 -0.180 0.000 2.308 617 I HA 0.129 4.299 4.170 0.000 0.000 0.293 617 I C 1.258 177.337 176.117 -0.063 0.000 1.078 617 I CA -0.292 60.938 61.300 -0.117 0.000 1.292 617 I CB 0.589 38.521 38.000 -0.113 0.000 1.423 617 I HN 0.476 nan 8.210 nan 0.000 0.493 618 R N 2.980 123.488 120.500 0.013 0.000 2.127 618 R HA 0.007 4.347 4.340 0.000 0.000 0.217 618 R C 0.487 176.921 176.300 0.225 0.000 1.074 618 R CA 0.161 56.338 56.100 0.128 0.000 0.991 618 R CB -0.282 30.073 30.300 0.090 0.000 0.895 618 R HN 0.555 nan 8.270 nan 0.000 0.450 619 E N 2.659 122.930 120.200 0.119 0.000 2.729 619 E HA -0.042 4.308 4.350 0.000 0.000 0.246 619 E C -0.556 176.103 176.600 0.099 0.000 0.984 619 E CA 0.347 56.794 56.400 0.078 0.000 0.951 619 E CB 0.222 29.937 29.700 0.025 0.000 0.914 619 E HN 0.129 nan 8.360 nan 0.000 0.509 620 K N 3.211 123.591 120.400 -0.033 0.000 2.351 620 K HA 0.471 4.792 4.320 0.000 0.000 0.287 620 K C 0.446 177.000 176.600 -0.077 0.000 1.068 620 K CA 0.422 56.592 56.287 -0.194 0.000 0.998 620 K CB 0.268 32.604 32.500 -0.274 0.000 0.968 620 K HN 0.748 nan 8.250 nan 0.000 0.464 621 G N -0.079 108.717 108.800 -0.006 0.000 2.510 621 G HA2 0.257 4.217 3.960 0.000 0.000 0.277 621 G HA3 0.257 4.217 3.960 0.000 0.000 0.277 621 G C -0.160 174.762 174.900 0.036 0.000 1.223 621 G CA 0.126 45.230 45.100 0.007 0.000 0.887 621 G HN 0.431 nan 8.290 nan 0.000 0.485 622 D N 0.409 120.819 120.400 0.018 0.000 2.264 622 D HA -0.087 4.553 4.640 0.000 0.000 0.208 622 D C 1.946 178.250 176.300 0.007 0.000 0.966 622 D CA 1.846 55.853 54.000 0.012 0.000 0.864 622 D CB -0.022 40.779 40.800 0.001 0.000 0.933 622 D HN 0.496 nan 8.370 nan 0.000 0.499 623 T N -2.375 112.185 114.554 0.010 0.000 3.214 623 T HA 0.027 4.378 4.350 0.000 0.000 0.264 623 T C 0.242 174.941 174.700 -0.002 0.000 1.012 623 T CA -0.818 61.264 62.100 -0.029 0.000 0.901 623 T CB -0.698 68.134 68.868 -0.060 0.000 1.070 623 T HN -0.081 nan 8.240 nan 0.000 0.561 624 Y N 2.411 122.666 120.300 -0.074 0.000 2.620 624 Y HA 0.376 4.926 4.550 0.001 0.000 0.330 624 Y C 1.455 177.307 175.900 -0.080 0.000 1.186 624 Y CA 0.625 58.684 58.100 -0.068 0.000 1.467 624 Y CB -0.135 38.295 38.460 -0.051 0.000 1.262 624 Y HN 0.538 nan 8.280 nan 0.000 0.550 625 G N 3.707 112.041 108.800 -0.776 0.000 2.155 625 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 625 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 625 G C 0.129 174.816 174.900 -0.354 0.000 0.983 625 G CA 0.300 45.012 45.100 -0.648 0.000 0.676 625 G HN 0.668 nan 8.290 nan 0.000 0.528 626 N N -0.649 117.878 118.700 -0.288 0.000 2.476 626 N HA 0.708 5.448 4.740 0.000 0.000 0.287 626 N C 0.341 175.693 175.510 -0.263 0.000 1.262 626 N CA -0.474 52.406 53.050 -0.285 0.000 0.980 626 N CB 0.467 38.775 38.487 -0.299 0.000 1.163 626 N HN 0.208 nan 8.380 nan 0.000 0.592 627 L N 0.504 121.553 121.223 -0.292 0.000 2.309 627 L HA 0.380 4.720 4.340 0.000 0.000 0.282 627 L C -0.077 176.680 176.870 -0.188 0.000 1.036 627 L CA -0.955 53.760 54.840 -0.209 0.000 0.806 627 L CB 1.484 43.470 42.059 -0.121 0.000 1.220 627 L HN 0.114 nan 8.230 nan 0.000 0.429 628 V N 3.932 123.748 119.914 -0.163 0.000 2.673 628 V HA 0.035 4.156 4.120 0.000 0.000 0.303 628 V C -1.837 174.222 176.094 -0.058 0.000 1.046 628 V CA -0.912 61.316 62.300 -0.119 0.000 1.126 628 V CB 0.234 31.990 31.823 -0.112 0.000 0.934 628 V HN 0.633 nan 8.190 nan 0.000 0.487 629 P HA 0.166 nan 4.420 nan 0.000 0.271 629 P C -0.011 177.354 177.300 0.108 0.000 1.233 629 P CA -0.199 62.881 63.100 -0.034 0.000 0.789 629 P CB 0.067 31.765 31.700 -0.003 0.000 0.951 630 F N -2.043 117.900 119.950 -0.013 0.000 3.048 630 F HA -0.220 4.308 4.527 0.000 0.000 0.269 630 F C 0.430 176.200 175.800 -0.052 0.000 0.960 630 F CA 0.892 58.873 58.000 -0.031 0.000 0.909 630 F CB -2.348 36.626 39.000 -0.044 0.000 0.837 630 F HN 0.125 nan 8.300 nan 0.000 0.768 631 S N 0.521 116.238 115.700 0.029 0.000 2.774 631 S HA 0.662 5.132 4.470 0.000 0.000 0.297 631 S C -2.664 171.897 174.600 -0.065 0.000 1.143 631 S CA -1.392 56.798 58.200 -0.016 0.000 1.090 631 S CB 1.376 64.560 63.200 -0.027 0.000 1.019 631 S HN -0.077 nan 8.310 nan 0.000 0.482 632 P HA 0.419 nan 4.420 nan 0.000 0.292 632 P C 0.055 177.258 177.300 -0.161 0.000 1.287 632 P CA -0.672 62.361 63.100 -0.110 0.000 0.800 632 P CB 0.872 32.504 31.700 -0.113 0.000 0.945 633 K N 0.878 121.147 120.400 -0.218 0.000 2.209 633 K HA -0.074 4.246 4.320 0.000 0.000 0.204 633 K C 0.417 176.730 176.600 -0.479 0.000 1.048 633 K CA 1.064 57.077 56.287 -0.457 0.000 0.940 633 K CB -0.200 32.022 32.500 -0.462 0.000 0.729 633 K HN 0.621 nan 8.250 nan 0.000 0.451 634 H N 0.403 119.509 119.070 0.061 0.000 2.547 634 H HA 0.384 4.940 4.556 0.000 0.000 0.342 634 H C -0.915 174.451 175.328 0.064 0.000 1.048 634 H CA -0.592 55.549 56.048 0.155 0.000 1.204 634 H CB 1.750 31.686 29.762 0.290 0.000 1.493 634 H HN -0.077 nan 8.280 nan 0.000 0.511 635 K N 2.171 122.642 120.400 0.118 0.000 2.587 635 K HA 0.499 4.819 4.320 0.000 0.000 0.256 635 K C -1.310 175.182 176.600 -0.180 0.000 0.974 635 K CA -0.510 55.746 56.287 -0.052 0.000 0.855 635 K CB 1.886 34.301 32.500 -0.141 0.000 1.292 635 K HN 0.877 nan 8.250 nan 0.000 0.444 636 G N 0.956 109.320 108.800 -0.727 0.000 2.619 636 G HA2 0.596 4.556 3.960 0.000 0.000 0.305 636 G HA3 0.596 4.556 3.960 0.000 0.000 0.305 636 G C -1.075 172.880 174.900 -1.576 0.000 1.330 636 G CA -0.316 44.285 45.100 -0.831 0.000 0.789 636 G HN 0.649 nan 8.290 nan 0.000 0.487 637 T N -2.555 111.654 114.554 -0.575 0.000 2.831 637 T HA 0.886 5.236 4.350 0.000 0.000 0.287 637 T C -0.974 173.920 174.700 0.323 0.000 1.070 637 T CA -0.301 61.691 62.100 -0.180 0.000 1.010 637 T CB 1.800 70.624 68.868 -0.073 0.000 1.264 637 T HN 2.093 nan 8.240 nan 0.000 0.532 638 L N -3.332 118.114 121.223 0.371 0.000 2.921 638 L HA 0.936 5.276 4.340 0.000 0.000 0.261 638 L C -0.609 176.466 176.870 0.343 0.000 0.984 638 L CA -0.231 54.849 54.840 0.400 0.000 0.951 638 L CB 1.263 43.486 42.059 0.274 0.000 1.495 638 L HN 1.525 nan 8.230 nan 0.000 0.414 639 G N -0.382 108.403 108.800 -0.024 0.000 2.340 639 G HA2 0.608 4.569 3.960 0.000 0.000 0.298 639 G HA3 0.608 4.569 3.960 0.000 0.000 0.298 639 G C -2.272 172.169 174.900 -0.764 0.000 1.498 639 G CA -0.105 44.818 45.100 -0.294 0.000 0.847 639 G HN 1.771 nan 8.290 nan 0.000 0.594 640 V N 0.564 120.275 119.914 -0.339 0.000 2.577 640 V HA 0.689 4.809 4.120 0.000 0.000 0.303 640 V C -1.309 174.757 176.094 -0.048 0.000 1.042 640 V CA -0.853 61.306 62.300 -0.235 0.000 0.872 640 V CB 1.731 33.506 31.823 -0.080 0.000 0.998 640 V HN 0.727 nan 8.190 nan 0.000 0.423 641 D N 5.286 125.689 120.400 0.005 0.000 2.193 641 D HA 0.382 5.022 4.640 0.000 0.000 0.249 641 D C -1.384 175.076 176.300 0.266 0.000 1.034 641 D CA 0.196 54.300 54.000 0.172 0.000 0.902 641 D CB 1.930 42.849 40.800 0.198 0.000 1.182 641 D HN 0.631 nan 8.370 nan 0.000 0.436 642 Y N 1.024 121.427 120.300 0.171 0.000 2.317 642 Y HA 0.248 4.798 4.550 0.000 0.000 0.325 642 Y C -1.214 174.846 175.900 0.267 0.000 1.066 642 Y CA -0.968 57.230 58.100 0.163 0.000 1.203 642 Y CB 0.817 39.331 38.460 0.090 0.000 1.127 642 Y HN 0.150 nan 8.280 nan 0.000 0.451 643 K N 8.373 128.903 120.400 0.216 0.000 2.499 643 K HA 0.357 4.677 4.320 0.000 0.000 0.215 643 K C -2.882 173.752 176.600 0.056 0.000 1.041 643 K CA -1.670 54.671 56.287 0.089 0.000 1.031 643 K CB 1.162 33.728 32.500 0.111 0.000 1.479 643 K HN 0.354 nan 8.250 nan 0.000 0.518 644 P HA 0.216 nan 4.420 nan 0.000 0.301 644 P C 0.454 177.851 177.300 0.162 0.000 1.338 644 P CA 0.204 63.323 63.100 0.033 0.000 0.834 644 P CB 1.707 33.340 31.700 -0.113 0.000 0.967 645 G N 5.000 113.887 108.800 0.146 0.000 2.550 645 G HA2 -0.312 3.648 3.960 0.000 0.000 0.277 645 G HA3 -0.312 3.648 3.960 0.000 0.000 0.277 645 G C 0.606 175.550 174.900 0.074 0.000 1.190 645 G CA -0.041 45.158 45.100 0.165 0.000 0.971 645 G HN 0.580 nan 8.290 nan 0.000 0.559 646 N N 0.665 119.360 118.700 -0.007 0.000 2.268 646 N HA 0.162 4.902 4.740 0.000 0.000 0.204 646 N C 0.003 175.150 175.510 -0.604 0.000 1.124 646 N CA 0.256 53.026 53.050 -0.468 0.000 0.838 646 N CB 0.204 38.097 38.487 -0.990 0.000 0.994 646 N HN 0.410 nan 8.380 nan 0.000 0.489 647 W N 0.877 122.123 121.300 -0.089 0.000 2.260 647 W HA 0.368 5.028 4.660 0.000 0.000 0.366 647 W C 0.288 176.759 176.519 -0.079 0.000 1.315 647 W CA -0.061 57.281 57.345 -0.005 0.000 1.458 647 W CB 0.698 30.268 29.460 0.184 0.000 1.255 647 W HN -0.309 nan 8.180 nan 0.000 0.671 648 T N 1.666 116.279 114.554 0.098 0.000 3.395 648 T HA 0.400 4.750 4.350 0.000 0.000 0.330 648 T C -1.536 173.099 174.700 -0.109 0.000 1.076 648 T CA -0.747 61.384 62.100 0.052 0.000 1.070 648 T CB 0.246 69.125 68.868 0.017 0.000 1.119 648 T HN 0.050 nan 8.240 nan 0.000 0.462 649 F N 2.350 122.363 119.950 0.105 0.000 2.477 649 F HA 0.534 5.061 4.527 0.000 0.000 0.335 649 F C 0.407 176.308 175.800 0.167 0.000 1.130 649 F CA -0.844 57.241 58.000 0.142 0.000 0.948 649 F CB 1.599 40.676 39.000 0.128 0.000 1.154 649 F HN 0.424 nan 8.300 nan 0.000 0.439 650 N N 3.596 122.470 118.700 0.291 0.000 2.314 650 N HA 0.698 5.438 4.740 0.000 0.000 0.294 650 N C -1.777 173.887 175.510 0.256 0.000 1.029 650 N CA -0.726 52.480 53.050 0.261 0.000 0.845 650 N CB 2.511 41.143 38.487 0.241 0.000 1.321 650 N HN 0.455 nan 8.380 nan 0.000 0.481 651 L N 2.282 123.651 121.223 0.242 0.000 2.401 651 L HA 0.679 5.019 4.340 0.000 0.000 0.266 651 L C -1.447 175.601 176.870 0.296 0.000 0.991 651 L CA -0.341 54.658 54.840 0.265 0.000 0.818 651 L CB 1.533 43.730 42.059 0.230 0.000 1.321 651 L HN 0.803 nan 8.230 nan 0.000 0.413 652 N N 2.072 121.008 118.700 0.394 0.000 3.046 652 N HA 0.499 5.240 4.740 0.000 0.000 0.243 652 N C -1.952 173.725 175.510 0.279 0.000 1.452 652 N CA -0.633 52.627 53.050 0.350 0.000 0.882 652 N CB 1.839 40.529 38.487 0.338 0.000 1.425 652 N HN 0.551 nan 8.380 nan 0.000 0.517 653 S N -0.426 115.282 115.700 0.013 0.000 2.546 653 S HA 0.406 4.876 4.470 0.000 0.000 0.272 653 S C -2.191 172.338 174.600 -0.117 0.000 1.140 653 S CA -0.644 57.351 58.200 -0.342 0.000 0.920 653 S CB 1.137 63.577 63.200 -1.266 0.000 1.083 653 S HN 0.506 nan 8.310 nan 0.000 0.476 654 D N 3.207 123.535 120.400 -0.121 0.000 2.350 654 D HA 0.654 5.295 4.640 0.000 0.000 0.245 654 D C -0.875 175.384 176.300 -0.068 0.000 1.036 654 D CA -0.037 53.868 54.000 -0.157 0.000 0.848 654 D CB 1.585 42.351 40.800 -0.055 0.000 1.307 654 D HN 0.470 nan 8.370 nan 0.000 0.469 655 F N -0.540 119.352 119.950 -0.096 0.000 2.645 655 F HA 0.557 5.085 4.527 0.000 0.000 0.310 655 F C -1.263 174.397 175.800 -0.233 0.000 1.102 655 F CA -1.078 56.824 58.000 -0.163 0.000 0.952 655 F CB 1.537 40.454 39.000 -0.138 0.000 1.326 655 F HN 0.241 nan 8.300 nan 0.000 0.456 656 Q N 0.517 120.201 119.800 -0.193 0.000 2.574 656 Q HA 0.539 4.879 4.340 0.000 0.000 0.265 656 Q C -1.614 174.221 176.000 -0.275 0.000 0.975 656 Q CA -0.892 54.761 55.803 -0.251 0.000 0.923 656 Q CB 1.627 30.088 28.738 -0.462 0.000 1.518 656 Q HN 0.927 nan 8.270 nan 0.000 0.401 657 S N 1.339 116.995 115.700 -0.074 0.000 2.625 657 S HA 0.516 4.986 4.470 0.000 0.000 0.258 657 S C 0.496 175.015 174.600 -0.135 0.000 1.256 657 S CA -0.135 58.042 58.200 -0.038 0.000 0.983 657 S CB 0.417 63.710 63.200 0.155 0.000 1.032 657 S HN 0.973 nan 8.310 nan 0.000 0.572 658 S N -0.013 115.623 115.700 -0.108 0.000 2.614 658 S HA 0.482 4.953 4.470 0.000 0.000 0.265 658 S C -0.337 174.136 174.600 -0.212 0.000 1.303 658 S CA -0.761 57.332 58.200 -0.180 0.000 1.000 658 S CB 0.034 63.116 63.200 -0.197 0.000 0.935 658 S HN 0.944 nan 8.310 nan 0.000 0.551 659 Q N -0.314 119.304 119.800 -0.305 0.000 2.590 659 Q HA 0.620 4.960 4.340 0.000 0.000 0.295 659 Q C -1.924 173.771 176.000 -0.508 0.000 0.973 659 Q CA -0.950 54.667 55.803 -0.310 0.000 0.768 659 Q CB 0.746 29.378 28.738 -0.176 0.000 1.479 659 Q HN 0.581 nan 8.270 nan 0.000 0.419 660 F N -0.098 119.681 119.950 -0.284 0.000 2.470 660 F HA 0.687 5.215 4.527 0.001 0.000 0.329 660 F C 0.901 176.324 175.800 -0.628 0.000 1.072 660 F CA -0.128 57.664 58.000 -0.348 0.000 0.989 660 F CB 1.955 40.791 39.000 -0.273 0.000 1.193 660 F HN 0.901 nan 8.300 nan 0.000 0.481 661 A N 0.608 123.208 122.820 -0.366 0.000 1.850 661 A HA 0.030 4.350 4.320 0.000 0.000 0.212 661 A C 0.482 177.719 177.584 -0.578 0.000 1.208 661 A CA 0.977 52.632 52.037 -0.638 0.000 0.609 661 A CB -0.560 18.269 19.000 -0.285 0.000 0.860 661 A HN 0.721 nan 8.150 nan 0.000 0.448 662 D N -1.487 118.546 120.400 -0.611 0.000 2.332 662 D HA 0.134 4.775 4.640 0.000 0.000 0.252 662 D C 0.050 176.129 176.300 -0.368 0.000 1.050 662 D CA -0.763 52.784 54.000 -0.756 0.000 0.970 662 D CB 0.248 40.513 40.800 -0.890 0.000 1.141 662 D HN 0.083 nan 8.370 nan 0.000 0.485 663 N N -0.063 118.481 118.700 -0.260 0.000 2.381 663 N HA -0.094 4.646 4.740 0.000 0.000 0.182 663 N C 1.485 176.869 175.510 -0.211 0.000 1.025 663 N CA 1.019 53.959 53.050 -0.183 0.000 0.888 663 N CB -0.154 38.270 38.487 -0.104 0.000 0.965 663 N HN 0.634 nan 8.380 nan 0.000 0.438 664 A N 0.734 123.433 122.820 -0.202 0.000 2.119 664 A HA -0.041 4.279 4.320 0.000 0.000 0.217 664 A C 0.635 178.046 177.584 -0.288 0.000 1.153 664 A CA 0.352 52.279 52.037 -0.184 0.000 0.692 664 A CB -0.446 18.486 19.000 -0.112 0.000 0.799 664 A HN 0.473 nan 8.150 nan 0.000 0.458 665 N N -0.592 117.865 118.700 -0.406 0.000 2.780 665 N HA -0.118 4.622 4.740 0.000 0.000 0.248 665 N C -0.832 174.471 175.510 -0.344 0.000 1.102 665 N CA 0.464 53.026 53.050 -0.812 0.000 0.697 665 N CB -1.517 36.266 38.487 -1.174 0.000 1.028 665 N HN 0.418 nan 8.380 nan 0.000 0.554 666 T N 0.171 114.685 114.554 -0.066 0.000 2.831 666 T HA 0.080 4.430 4.350 0.000 0.000 0.291 666 T C 1.633 176.449 174.700 0.193 0.000 0.981 666 T CA -0.165 61.963 62.100 0.047 0.000 1.174 666 T CB 1.791 70.668 68.868 0.015 0.000 0.929 666 T HN 0.041 nan 8.240 nan 0.000 0.532 667 V N 2.777 122.794 119.914 0.171 0.000 2.379 667 V HA 0.044 4.164 4.120 0.000 0.000 0.243 667 V C 1.358 177.494 176.094 0.070 0.000 1.035 667 V CA 1.162 63.555 62.300 0.156 0.000 1.035 667 V CB -0.069 31.837 31.823 0.138 0.000 0.673 667 V HN 0.584 nan 8.190 nan 0.000 0.457 668 K N 1.377 121.810 120.400 0.055 0.000 2.326 668 K HA 0.097 4.417 4.320 0.000 0.000 0.275 668 K C 0.199 176.820 176.600 0.035 0.000 1.018 668 K CA 0.271 56.581 56.287 0.038 0.000 0.962 668 K CB 0.365 32.885 32.500 0.033 0.000 0.953 668 K HN 0.377 nan 8.250 nan 0.000 0.475 669 E N 1.251 121.467 120.200 0.026 0.000 2.373 669 E HA 0.125 4.476 4.350 0.000 0.000 0.263 669 E C -0.568 176.041 176.600 0.015 0.000 1.073 669 E CA -0.396 56.013 56.400 0.014 0.000 0.894 669 E CB 0.682 30.379 29.700 -0.005 0.000 1.008 669 E HN 0.734 nan 8.360 nan 0.000 0.420 670 S N 1.964 117.674 115.700 0.017 0.000 2.655 670 S HA 0.388 4.858 4.470 0.000 0.000 0.265 670 S C 0.850 175.452 174.600 0.003 0.000 1.240 670 S CA -0.245 57.970 58.200 0.024 0.000 0.986 670 S CB 1.595 64.824 63.200 0.049 0.000 0.985 670 S HN 0.630 nan 8.310 nan 0.000 0.562 671 A N 0.996 123.820 122.820 0.006 0.000 1.874 671 A HA -0.024 4.296 4.320 0.000 0.000 0.214 671 A C 1.700 179.277 177.584 -0.012 0.000 1.189 671 A CA 1.344 53.380 52.037 -0.003 0.000 0.615 671 A CB -1.210 17.792 19.000 0.003 0.000 0.830 671 A HN 0.946 nan 8.150 nan 0.000 0.443 672 D N -1.035 119.363 120.400 -0.003 0.000 2.378 672 D HA 0.167 4.807 4.640 0.000 0.000 0.222 672 D C 1.201 177.489 176.300 -0.019 0.000 0.980 672 D CA 1.035 55.031 54.000 -0.007 0.000 0.907 672 D CB -0.898 39.904 40.800 0.003 0.000 0.899 672 D HN 0.852 nan 8.370 nan 0.000 0.527 673 G N -0.180 108.600 108.800 -0.032 0.000 2.179 673 G HA2 -0.353 3.607 3.960 0.000 0.000 0.257 673 G HA3 -0.353 3.607 3.960 0.000 0.000 0.257 673 G C 1.062 175.949 174.900 -0.021 0.000 1.010 673 G CA 1.097 46.150 45.100 -0.078 0.000 0.736 673 G HN 0.677 nan 8.290 nan 0.000 0.513 674 S N -1.743 113.992 115.700 0.058 0.000 2.427 674 S HA 0.262 4.733 4.470 0.000 0.000 0.224 674 S C 0.969 175.703 174.600 0.223 0.000 1.047 674 S CA 1.236 59.528 58.200 0.153 0.000 0.953 674 S CB 0.344 63.633 63.200 0.148 0.000 0.824 674 S HN 0.532 nan 8.310 nan 0.000 0.502 675 T N 1.924 116.594 114.554 0.194 0.000 2.799 675 T HA 0.704 5.055 4.350 0.000 0.000 0.286 675 T C 0.029 174.761 174.700 0.053 0.000 0.973 675 T CA 0.119 62.308 62.100 0.149 0.000 1.035 675 T CB 1.079 70.060 68.868 0.189 0.000 0.932 675 T HN 0.784 nan 8.240 nan 0.000 0.469 676 G N 1.845 110.653 108.800 0.014 0.000 2.358 676 G HA2 0.333 4.293 3.960 0.000 0.000 0.303 676 G HA3 0.333 4.293 3.960 0.000 0.000 0.303 676 G C -1.243 173.637 174.900 -0.034 0.000 1.537 676 G CA -1.251 43.856 45.100 0.012 0.000 0.928 676 G HN 0.777 nan 8.290 nan 0.000 0.656 677 R N -0.115 120.339 120.500 -0.076 0.000 2.537 677 R HA 0.463 4.804 4.340 0.000 0.000 0.280 677 R C -0.628 175.587 176.300 -0.142 0.000 1.058 677 R CA -0.201 55.726 56.100 -0.287 0.000 1.057 677 R CB 0.220 30.322 30.300 -0.329 0.000 0.973 677 R HN 0.285 nan 8.270 nan 0.000 0.438 678 I N 7.788 128.233 120.570 -0.208 0.000 2.330 678 I HA 0.330 4.501 4.170 0.000 0.000 0.289 678 I C -1.983 174.042 176.117 -0.152 0.000 1.001 678 I CA -2.664 58.598 61.300 -0.064 0.000 1.193 678 I CB 1.529 39.521 38.000 -0.012 0.000 1.345 678 I HN 0.609 nan 8.210 nan 0.000 0.461 679 P HA 0.105 nan 4.420 nan 0.000 0.273 679 P C 0.169 177.385 177.300 -0.140 0.000 1.252 679 P CA -0.104 62.903 63.100 -0.156 0.000 0.809 679 P CB 0.474 32.070 31.700 -0.174 0.000 1.017 680 G N -1.078 107.642 108.800 -0.134 0.000 2.597 680 G HA2 0.752 4.713 3.960 0.000 0.000 0.317 680 G HA3 0.752 4.713 3.960 0.000 0.000 0.317 680 G C -1.527 173.280 174.900 -0.155 0.000 1.230 680 G CA -0.555 44.385 45.100 -0.266 0.000 0.996 680 G HN 0.476 nan 8.290 nan 0.000 0.490 681 F N -2.575 117.319 119.950 -0.094 0.000 2.744 681 F HA 0.696 5.223 4.527 0.000 0.000 0.311 681 F C -1.063 174.685 175.800 -0.086 0.000 1.144 681 F CA -1.816 56.112 58.000 -0.120 0.000 0.938 681 F CB 1.859 40.700 39.000 -0.265 0.000 1.292 681 F HN 0.606 nan 8.300 nan 0.000 0.444 682 M N 3.815 123.556 119.600 0.236 0.000 2.259 682 M HA 0.773 5.253 4.480 0.000 0.000 0.304 682 M C -2.308 174.073 176.300 0.135 0.000 1.019 682 M CA -0.422 54.964 55.300 0.144 0.000 0.922 682 M CB 1.758 34.401 32.600 0.072 0.000 1.600 682 M HN 0.739 nan 8.290 nan 0.000 0.433 683 L N 3.857 125.102 121.223 0.037 0.000 2.354 683 L HA 0.719 5.060 4.340 0.000 0.000 0.264 683 L C -1.647 175.233 176.870 0.016 0.000 1.008 683 L CA -0.623 54.279 54.840 0.103 0.000 0.819 683 L CB 2.113 44.193 42.059 0.034 0.000 1.339 683 L HN 0.716 nan 8.230 nan 0.000 0.420 684 W N 0.018 121.457 121.300 0.232 0.000 2.781 684 W HA 0.778 5.438 4.660 0.000 0.000 0.345 684 W C 0.106 176.698 176.519 0.122 0.000 1.085 684 W CA -0.636 56.833 57.345 0.207 0.000 1.198 684 W CB 2.185 31.818 29.460 0.289 0.000 1.423 684 W HN 0.477 nan 8.180 nan 0.000 0.532 685 G N 0.166 109.203 108.800 0.395 0.000 2.667 685 G HA2 0.802 4.762 3.960 0.000 0.000 0.298 685 G HA3 0.802 4.762 3.960 0.000 0.000 0.298 685 G C -1.999 173.060 174.900 0.266 0.000 1.377 685 G CA -0.811 44.450 45.100 0.269 0.000 0.964 685 G HN 0.727 nan 8.290 nan 0.000 0.493 686 A N 1.479 124.416 122.820 0.195 0.000 2.475 686 A HA 0.966 5.286 4.320 0.000 0.000 0.301 686 A C -0.526 177.144 177.584 0.144 0.000 1.059 686 A CA -0.781 51.361 52.037 0.176 0.000 0.710 686 A CB 2.205 21.279 19.000 0.123 0.000 1.288 686 A HN 0.912 nan 8.150 nan 0.000 0.408 687 R N 0.655 121.251 120.500 0.159 0.000 2.643 687 R HA 0.646 4.987 4.340 0.000 0.000 0.269 687 R C -2.461 173.884 176.300 0.076 0.000 1.037 687 R CA -0.408 55.759 56.100 0.111 0.000 0.894 687 R CB 2.206 32.616 30.300 0.184 0.000 1.238 687 R HN 0.949 nan 8.270 nan 0.000 0.459 688 V N 2.945 122.873 119.914 0.023 0.000 2.638 688 V HA 0.911 5.031 4.120 0.000 0.000 0.306 688 V C -1.205 174.894 176.094 0.009 0.000 1.052 688 V CA -0.039 62.195 62.300 -0.110 0.000 0.885 688 V CB 1.512 33.274 31.823 -0.102 0.000 0.999 688 V HN 1.003 nan 8.190 nan 0.000 0.424 689 A N 5.442 128.237 122.820 -0.042 0.000 2.504 689 A HA 0.990 5.311 4.320 0.000 0.000 0.285 689 A C -1.865 175.721 177.584 0.003 0.000 1.261 689 A CA -0.674 51.395 52.037 0.053 0.000 0.741 689 A CB 1.921 20.949 19.000 0.046 0.000 1.327 689 A HN 1.485 nan 8.150 nan 0.000 0.441 690 Y N -0.291 119.928 120.300 -0.136 0.000 2.521 690 Y HA 0.475 5.026 4.550 0.000 0.000 0.328 690 Y C -1.843 173.997 175.900 -0.100 0.000 1.151 690 Y CA -0.776 57.082 58.100 -0.404 0.000 1.054 690 Y CB 1.881 39.798 38.460 -0.906 0.000 1.338 690 Y HN 0.671 nan 8.280 nan 0.000 0.453 691 D N 5.226 125.160 120.400 -0.776 0.000 2.485 691 D HA 0.230 4.871 4.640 0.000 0.000 0.229 691 D C -1.035 175.037 176.300 -0.381 0.000 1.101 691 D CA -0.182 53.621 54.000 -0.328 0.000 0.906 691 D CB -0.322 40.288 40.800 -0.316 0.000 1.019 691 D HN 0.364 nan 8.370 nan 0.000 0.516 692 F N 2.550 122.423 119.950 -0.129 0.000 2.538 692 F HA 0.269 4.797 4.527 0.000 0.000 0.382 692 F C 1.873 177.666 175.800 -0.012 0.000 1.069 692 F CA 0.319 58.357 58.000 0.063 0.000 1.138 692 F CB 0.385 39.459 39.000 0.122 0.000 1.068 692 F HN 0.513 nan 8.300 nan 0.000 0.556 693 G N 5.008 113.848 108.800 0.067 0.000 2.505 693 G HA2 -0.210 3.750 3.960 0.000 0.000 0.191 693 G HA3 -0.210 3.750 3.960 0.000 0.000 0.191 693 G C -2.164 172.742 174.900 0.010 0.000 0.542 693 G CA -1.131 43.995 45.100 0.044 0.000 0.917 693 G HN 0.557 nan 8.290 nan 0.000 0.336 694 P HA -0.044 nan 4.420 nan 0.000 0.239 694 P C 0.861 178.161 177.300 -0.001 0.000 1.184 694 P CA 1.102 64.183 63.100 -0.033 0.000 0.760 694 P CB 0.393 32.063 31.700 -0.050 0.000 0.884 695 Q N -1.898 117.911 119.800 0.015 0.000 2.814 695 Q HA 0.627 4.967 4.340 0.000 0.000 0.283 695 Q C 0.803 176.832 176.000 0.048 0.000 1.071 695 Q CA -0.183 55.636 55.803 0.026 0.000 0.849 695 Q CB 1.652 30.402 28.738 0.019 0.000 1.437 695 Q HN -0.046 nan 8.270 nan 0.000 0.492 696 M N -0.805 118.823 119.600 0.047 0.000 7.319 696 M HA -0.224 4.257 4.480 0.000 0.000 0.502 696 M C -0.757 175.595 176.300 0.086 0.000 0.480 696 M CA 1.230 56.566 55.300 0.061 0.000 1.311 696 M CB -2.345 nan 32.600 nan 0.000 0.421 696 M HN 0.985 nan 8.290 nan 0.000 0.582 697 A N 1.942 124.838 122.820 0.128 0.000 2.690 697 A HA 0.567 4.888 4.320 0.000 0.000 0.342 697 A C -0.111 177.546 177.584 0.123 0.000 1.410 697 A CA 0.528 52.691 52.037 0.209 0.000 0.958 697 A CB -0.851 18.312 19.000 0.273 0.000 1.153 697 A HN 1.757 nan 8.150 nan 0.000 0.497 698 D N 1.318 121.771 120.400 0.088 0.000 8.089 698 D HA -0.102 4.538 4.640 0.000 0.000 0.148 698 D C -0.189 176.129 176.300 0.029 0.000 1.326 698 D CA 1.093 55.122 54.000 0.048 0.000 0.871 698 D CB 0.068 40.880 40.800 0.020 0.000 1.699 698 D HN 0.358 nan 8.370 nan 0.000 0.977 699 L N 2.935 124.189 121.223 0.052 0.000 2.366 699 L HA 0.432 4.773 4.340 0.000 0.000 0.266 699 L C -0.671 176.215 176.870 0.026 0.000 1.010 699 L CA -0.552 54.281 54.840 -0.012 0.000 0.879 699 L CB 0.788 42.809 42.059 -0.063 0.000 1.228 699 L HN 0.080 nan 8.230 nan 0.000 0.439 700 N N 4.111 122.815 118.700 0.007 0.000 2.509 700 N HA 0.703 5.443 4.740 0.000 0.000 0.287 700 N C -1.128 174.387 175.510 0.007 0.000 1.121 700 N CA -0.203 52.886 53.050 0.065 0.000 0.977 700 N CB 1.867 40.368 38.487 0.024 0.000 1.167 700 N HN 0.603 nan 8.380 nan 0.000 0.476 701 L N 1.234 122.521 121.223 0.107 0.000 2.431 701 L HA 0.836 5.176 4.340 0.000 0.000 0.266 701 L C -1.135 175.821 176.870 0.143 0.000 0.978 701 L CA -0.620 54.254 54.840 0.056 0.000 0.822 701 L CB 1.767 43.842 42.059 0.027 0.000 1.310 701 L HN 0.635 nan 8.230 nan 0.000 0.409 702 A N 2.722 125.544 122.820 0.003 0.000 2.572 702 A HA 0.891 5.212 4.320 0.000 0.000 0.295 702 A C -1.900 175.567 177.584 -0.195 0.000 1.072 702 A CA -0.348 51.728 52.037 0.065 0.000 0.691 702 A CB 1.539 20.580 19.000 0.068 0.000 1.291 702 A HN 0.425 nan 8.150 nan 0.000 0.404 703 F N 0.221 120.134 119.950 -0.062 0.000 2.561 703 F HA 0.709 5.236 4.527 0.000 0.000 0.313 703 F C 0.651 176.252 175.800 -0.330 0.000 1.126 703 F CA -0.163 57.734 58.000 -0.172 0.000 0.918 703 F CB 2.828 41.767 39.000 -0.102 0.000 1.199 703 F HN 0.920 nan 8.300 nan 0.000 0.444 704 G N 1.254 109.619 108.800 -0.724 0.000 2.672 704 G HA2 0.699 4.659 3.960 0.000 0.000 0.292 704 G HA3 0.699 4.659 3.960 0.000 0.000 0.292 704 G C -2.179 172.147 174.900 -0.957 0.000 1.375 704 G CA -0.869 43.685 45.100 -0.910 0.000 0.890 704 G HN 0.473 nan 8.290 nan 0.000 0.476 705 V N 0.174 119.914 119.914 -0.290 0.000 2.823 705 V HA 0.603 4.724 4.120 0.000 0.000 0.312 705 V C -0.361 175.847 176.094 0.189 0.000 1.072 705 V CA -0.906 61.372 62.300 -0.037 0.000 0.937 705 V CB 2.164 33.963 31.823 -0.039 0.000 1.013 705 V HN 0.700 nan 8.190 nan 0.000 0.430 706 K N 2.504 123.025 120.400 0.201 0.000 2.324 706 K HA 0.443 4.763 4.320 0.000 0.000 0.253 706 K C -0.058 176.603 176.600 0.101 0.000 0.932 706 K CA -0.714 55.681 56.287 0.179 0.000 0.799 706 K CB 1.028 33.627 32.500 0.166 0.000 1.154 706 K HN 0.681 nan 8.250 nan 0.000 0.425 707 N N 2.792 121.564 118.700 0.120 0.000 2.727 707 N HA -0.189 4.551 4.740 0.000 0.000 0.251 707 N C 0.217 175.779 175.510 0.087 0.000 1.040 707 N CA 0.158 53.287 53.050 0.132 0.000 0.712 707 N CB -0.878 37.669 38.487 0.101 0.000 0.912 707 N HN 0.659 nan 8.380 nan 0.000 0.545 708 I N -0.151 120.424 120.570 0.009 0.000 2.290 708 I HA -0.269 3.902 4.170 0.000 0.000 0.253 708 I C 1.581 177.507 176.117 -0.318 0.000 1.112 708 I CA 1.559 62.716 61.300 -0.239 0.000 1.377 708 I CB -0.365 37.331 38.000 -0.506 0.000 1.060 708 I HN 0.352 nan 8.210 nan 0.000 0.428 709 F N -0.037 119.995 119.950 0.136 0.000 2.692 709 F HA 0.169 4.697 4.527 0.000 0.000 0.303 709 F C 0.829 176.691 175.800 0.104 0.000 1.114 709 F CA -0.450 57.615 58.000 0.108 0.000 1.361 709 F CB -0.881 38.194 39.000 0.125 0.000 1.063 709 F HN -0.023 nan 8.300 nan 0.000 0.550 710 D N 1.712 122.235 120.400 0.206 0.000 2.755 710 D HA -0.245 4.395 4.640 0.000 0.000 0.227 710 D C 0.142 176.559 176.300 0.196 0.000 1.211 710 D CA 0.370 54.469 54.000 0.166 0.000 0.663 710 D CB -0.464 40.416 40.800 0.134 0.000 0.983 710 D HN 0.186 nan 8.370 nan 0.000 0.407 711 Q N 1.427 121.368 119.800 0.235 0.000 2.296 711 Q HA 0.127 4.467 4.340 0.000 0.000 0.263 711 Q C -0.431 175.704 176.000 0.226 0.000 1.026 711 Q CA -0.222 55.715 55.803 0.224 0.000 0.912 711 Q CB 0.706 29.591 28.738 0.245 0.000 1.198 711 Q HN 0.378 nan 8.270 nan 0.000 0.407 712 D N 3.360 123.867 120.400 0.177 0.000 2.372 712 D HA 0.291 4.931 4.640 0.000 0.000 0.243 712 D C -0.529 175.897 176.300 0.210 0.000 1.121 712 D CA 0.586 54.672 54.000 0.142 0.000 0.898 712 D CB 0.359 41.228 40.800 0.115 0.000 1.202 712 D HN 0.395 nan 8.370 nan 0.000 0.428 713 Y N -0.775 119.498 120.300 -0.044 0.000 2.638 713 Y HA 0.506 5.056 4.550 0.000 0.000 0.334 713 Y C -1.921 173.967 175.900 -0.021 0.000 1.182 713 Y CA -1.571 56.429 58.100 -0.166 0.000 1.102 713 Y CB 0.281 38.543 38.460 -0.330 0.000 1.343 713 Y HN 0.290 nan 8.280 nan 0.000 0.463 714 F N 2.385 122.427 119.950 0.153 0.000 2.769 714 F HA 0.940 5.467 4.527 0.000 0.000 0.327 714 F C -1.192 174.723 175.800 0.192 0.000 1.157 714 F CA -1.962 56.081 58.000 0.071 0.000 0.969 714 F CB 1.613 40.589 39.000 -0.039 0.000 1.415 714 F HN 0.782 nan 8.300 nan 0.000 0.499 715 I N -0.700 120.262 120.570 0.654 0.000 3.006 715 I HA 0.772 4.942 4.170 0.000 0.000 0.306 715 I C -1.542 174.794 176.117 0.365 0.000 1.250 715 I CA -1.122 60.472 61.300 0.490 0.000 0.996 715 I CB 2.921 41.129 38.000 0.346 0.000 1.261 715 I HN 0.817 nan 8.210 nan 0.000 0.442 716 R N 2.020 122.699 120.500 0.299 0.000 2.923 716 R HA 0.722 5.063 4.340 0.000 0.000 0.252 716 R C -0.908 175.526 176.300 0.225 0.000 1.130 716 R CA -1.067 55.171 56.100 0.229 0.000 1.043 716 R CB 1.789 32.194 30.300 0.175 0.000 1.205 716 R HN 0.664 nan 8.270 nan 0.000 0.495 717 S N -0.178 115.635 115.700 0.188 0.000 2.561 717 S HA 0.214 4.684 4.470 0.000 0.000 0.303 717 S C -0.584 174.182 174.600 0.277 0.000 1.110 717 S CA -0.605 57.672 58.200 0.129 0.000 1.034 717 S CB 0.801 63.990 63.200 -0.018 0.000 1.010 717 S HN 0.649 nan 8.310 nan 0.000 0.482 718 Y N 4.141 124.565 120.300 0.207 0.000 2.163 718 Y HA 0.162 4.712 4.550 0.000 0.000 0.288 718 Y C 1.601 177.555 175.900 0.091 0.000 1.112 718 Y CA 1.661 59.865 58.100 0.173 0.000 1.104 718 Y CB -0.050 38.558 38.460 0.247 0.000 1.016 718 Y HN 0.676 nan 8.280 nan 0.000 0.497 719 D N -0.449 119.907 120.400 -0.073 0.000 2.324 719 D HA -0.023 4.617 4.640 0.000 0.000 0.212 719 D C 0.043 176.292 176.300 -0.086 0.000 0.984 719 D CA 0.397 54.285 54.000 -0.186 0.000 0.885 719 D CB -0.241 40.500 40.800 -0.098 0.000 0.996 719 D HN 0.340 nan 8.370 nan 0.000 0.505 720 D N 1.293 121.670 120.400 -0.038 0.000 2.429 720 D HA -0.069 4.571 4.640 0.000 0.000 0.233 720 D C 1.260 177.564 176.300 0.006 0.000 1.202 720 D CA 0.276 54.266 54.000 -0.016 0.000 0.879 720 D CB 0.753 41.543 40.800 -0.016 0.000 1.212 720 D HN -0.014 nan 8.370 nan 0.000 0.465 721 N N 1.077 119.792 118.700 0.025 0.000 2.223 721 N HA -0.139 4.601 4.740 0.000 0.000 0.185 721 N C 0.795 176.340 175.510 0.057 0.000 1.016 721 N CA 0.778 53.849 53.050 0.036 0.000 0.863 721 N CB -0.091 38.426 38.487 0.050 0.000 0.983 721 N HN 0.473 nan 8.380 nan 0.000 0.429 722 N N 1.245 120.000 118.700 0.093 0.000 2.378 722 N HA -0.017 4.723 4.740 0.000 0.000 0.243 722 N C -0.663 174.948 175.510 0.167 0.000 1.137 722 N CA -0.202 52.915 53.050 0.112 0.000 0.862 722 N CB -0.393 38.175 38.487 0.136 0.000 1.116 722 N HN 0.140 nan 8.380 nan 0.000 0.499 723 K N -0.418 120.057 120.400 0.126 0.000 2.550 723 K HA 0.436 4.756 4.320 0.000 0.000 0.280 723 K C 0.732 177.427 176.600 0.158 0.000 0.987 723 K CA 0.083 56.458 56.287 0.147 0.000 1.048 723 K CB 0.217 32.749 32.500 0.052 0.000 0.879 723 K HN 0.248 nan 8.250 nan 0.000 0.491 724 G N 1.532 110.471 108.800 0.230 0.000 2.351 724 G HA2 0.188 4.148 3.960 0.000 0.000 0.279 724 G HA3 0.188 4.148 3.960 0.000 0.000 0.279 724 G C -1.418 173.594 174.900 0.187 0.000 1.297 724 G CA -1.059 44.116 45.100 0.125 0.000 0.886 724 G HN 0.556 nan 8.290 nan 0.000 0.493 725 I N 0.955 121.521 120.570 -0.008 0.000 2.315 725 I HA 0.372 4.543 4.170 0.000 0.000 0.291 725 I C -0.993 175.154 176.117 0.049 0.000 1.006 725 I CA -0.555 60.670 61.300 -0.125 0.000 1.265 725 I CB 1.050 38.649 38.000 -0.668 0.000 1.387 725 I HN 0.300 nan 8.210 nan 0.000 0.475 726 Y N 5.361 125.652 120.300 -0.014 0.000 2.491 726 Y HA 0.512 5.062 4.550 0.000 0.000 0.334 726 Y C 0.767 176.793 175.900 0.209 0.000 0.969 726 Y CA -1.117 57.049 58.100 0.109 0.000 1.241 726 Y CB 0.913 39.449 38.460 0.125 0.000 1.105 726 Y HN 0.632 nan 8.280 nan 0.000 0.503 727 A N 2.318 125.365 122.820 0.378 0.000 2.586 727 A HA 0.406 4.726 4.320 0.000 0.000 0.231 727 A C 0.958 178.703 177.584 0.269 0.000 1.055 727 A CA 0.533 52.784 52.037 0.358 0.000 0.756 727 A CB -0.098 19.040 19.000 0.230 0.000 0.988 727 A HN 0.871 nan 8.150 nan 0.000 0.509 728 G N 0.323 108.959 108.800 -0.273 0.000 2.400 728 G HA2 0.466 4.426 3.960 0.000 0.000 0.301 728 G HA3 0.466 4.426 3.960 0.000 0.000 0.301 728 G C 0.075 174.392 174.900 -0.970 0.000 1.154 728 G CA -0.475 44.098 45.100 -0.877 0.000 0.852 728 G HN 1.013 nan 8.290 nan 0.000 0.511 729 Q N 2.079 121.215 119.800 -1.107 0.000 2.520 729 Q HA -0.013 4.327 4.340 0.000 0.000 0.320 729 Q C -1.841 173.722 176.000 -0.728 0.000 1.104 729 Q CA -0.584 54.258 55.803 -1.601 0.000 1.062 729 Q CB 0.508 28.669 28.738 -0.962 0.000 1.005 729 Q HN 0.290 nan 8.270 nan 0.000 0.390 730 P HA 0.072 nan 4.420 nan 0.000 0.279 730 P C -1.002 176.237 177.300 -0.103 0.000 1.276 730 P CA -0.543 62.461 63.100 -0.160 0.000 0.801 730 P CB 0.562 32.308 31.700 0.076 0.000 1.127 731 R N 0.103 120.599 120.500 -0.007 0.000 2.474 731 R HA 0.039 4.379 4.340 0.000 0.000 0.290 731 R C -0.637 175.655 176.300 -0.014 0.000 0.918 731 R CA 1.085 57.187 56.100 0.002 0.000 1.130 731 R CB -0.628 29.677 30.300 0.009 0.000 0.881 731 R HN 0.450 nan 8.270 nan 0.000 0.416 732 T N 6.078 120.645 114.554 0.022 0.000 2.886 732 T HA 0.427 4.778 4.350 0.000 0.000 0.292 732 T C -0.588 174.179 174.700 0.111 0.000 1.012 732 T CA -0.727 61.411 62.100 0.062 0.000 0.982 732 T CB 1.190 70.108 68.868 0.082 0.000 1.018 732 T HN 0.424 nan 8.240 nan 0.000 0.451 733 L N 3.565 124.843 121.223 0.092 0.000 2.334 733 L HA 0.811 5.151 4.340 0.000 0.000 0.276 733 L C -0.891 176.050 176.870 0.118 0.000 1.014 733 L CA -1.279 53.584 54.840 0.039 0.000 0.815 733 L CB 1.092 43.157 42.059 0.010 0.000 1.268 733 L HN 0.787 nan 8.230 nan 0.000 0.428 734 Y N 1.111 121.423 120.300 0.020 0.000 2.597 734 Y HA 0.791 5.342 4.550 0.000 0.000 0.340 734 Y C -1.073 174.767 175.900 -0.099 0.000 1.097 734 Y CA -1.506 56.578 58.100 -0.026 0.000 1.037 734 Y CB 1.860 40.308 38.460 -0.019 0.000 1.305 734 Y HN 0.518 nan 8.280 nan 0.000 0.463 735 M N 3.127 122.720 119.600 -0.011 0.000 2.326 735 M HA 0.498 4.978 4.480 0.000 0.000 0.292 735 M C -2.370 173.834 176.300 -0.161 0.000 1.081 735 M CA -0.414 54.676 55.300 -0.348 0.000 0.919 735 M CB 2.405 34.614 32.600 -0.651 0.000 1.634 735 M HN 1.073 nan 8.290 nan 0.000 0.451 736 Q N 2.515 122.222 119.800 -0.156 0.000 2.312 736 Q HA 0.804 5.144 4.340 0.000 0.000 0.263 736 Q C -0.241 175.686 176.000 -0.123 0.000 0.995 736 Q CA -0.894 54.864 55.803 -0.075 0.000 0.853 736 Q CB 2.426 31.173 28.738 0.015 0.000 1.300 736 Q HN 0.961 nan 8.270 nan 0.000 0.448 737 G N 0.653 109.394 108.800 -0.099 0.000 2.744 737 G HA2 0.445 4.406 3.960 0.000 0.000 0.286 737 G HA3 0.445 4.406 3.960 0.000 0.000 0.286 737 G C -0.937 173.912 174.900 -0.085 0.000 1.497 737 G CA -0.343 44.695 45.100 -0.104 0.000 1.070 737 G HN 0.457 nan 8.290 nan 0.000 0.539 738 S N 1.469 117.123 115.700 -0.077 0.000 2.739 738 S HA 0.913 5.384 4.470 0.000 0.000 0.306 738 S C -1.056 173.483 174.600 -0.103 0.000 1.115 738 S CA -0.683 57.470 58.200 -0.078 0.000 0.985 738 S CB 1.984 65.153 63.200 -0.051 0.000 1.133 738 S HN 1.571 nan 8.310 nan 0.000 0.541 739 L N 0.847 121.994 121.223 -0.126 0.000 2.703 739 L HA 0.543 4.883 4.340 0.000 0.000 0.257 739 L C -2.047 174.702 176.870 -0.202 0.000 0.923 739 L CA -0.213 54.525 54.840 -0.171 0.000 0.936 739 L CB 1.534 43.431 42.059 -0.269 0.000 1.482 739 L HN 0.898 nan 8.230 nan 0.000 0.432 740 K N 5.424 125.752 120.400 -0.121 0.000 2.426 740 K HA 0.587 4.907 4.320 0.000 0.000 0.254 740 K C -1.170 175.502 176.600 0.121 0.000 0.936 740 K CA -0.422 55.825 56.287 -0.066 0.000 0.801 740 K CB 2.089 34.572 32.500 -0.029 0.000 1.139 740 K HN 0.439 nan 8.250 nan 0.000 0.424 741 F N 0.000 119.923 119.950 -0.045 0.000 2.286 741 F HA 0.000 4.527 4.527 0.000 0.000 0.279 741 F CA 0.000 57.980 58.000 -0.034 0.000 1.383 741 F CB 0.000 39.002 39.000 0.004 0.000 1.145 741 F HN 0.000 nan 8.300 nan 0.000 0.574