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 2a91_1_A DATA FIRST_RESID 1 DATA SEQUENCE STQVcTGTDM KLRLPASPET HLDMLRHLYQ GcQVVQGNLE LTYLPTNASL DATA SEQUENCE SFLQDIQEVQ GYVLIAHNQV RQVPLQRLRI VRGTQLFEDN YALAVLDNGD DATA SEQUENCE PLXXXXPVTG ASPGGLRELQ LRSLTEILKG GVLIQRNPQL cYQDTILWKD DATA SEQUENCE IFHKNNQLAL TLIDTNRSRA cHPcSPMcKG SRcWGESSED cQSLTRTVcA DATA SEQUENCE GGcARcKGPL PTDccHEQcA AGcTGPKHSD cLAcLHFNHS GIcELHcPAL DATA SEQUENCE VTYNTDTFES MPNPEGRYTF GAScVTAcPY NYLSTDVGSc TLVcPLHNQE DATA SEQUENCE VTAEDGTQKc EKcSKPcARV cYGLGMEHLR EVRAVTSANI QEFAGcKKIF DATA SEQUENCE GSLAFLPESF DGDPASNTAP LQPEQLQVFE TLEEITGYLY ISAWPDSLPD DATA SEQUENCE LSVFQNLQVI RGRILHNGAY SLTLQGLGIS WLGLRSLREL GSGLALIHHN DATA SEQUENCE THLcFVHTVP WDQLFRNPHQ ALLHTANRPE DEcVGEGLAc HQLcAKGHcW DATA SEQUENCE GPGPTQcVND VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.627 174.600 0.046 0.000 1.055 1 S CA 0.000 58.212 58.200 0.020 0.000 1.107 1 S CB 0.000 63.208 63.200 0.014 0.000 0.593 2 T N 1.701 116.292 114.554 0.061 0.000 2.907 2 T HA 0.577 4.927 4.350 0.001 0.000 0.292 2 T C 0.201 174.975 174.700 0.123 0.000 1.043 2 T CA -0.344 61.820 62.100 0.107 0.000 1.003 2 T CB 1.603 70.565 68.868 0.157 0.000 1.084 2 T HN 0.728 nan 8.240 nan 0.000 0.483 3 Q N 1.652 121.528 119.800 0.126 0.000 2.189 3 Q HA 0.437 4.777 4.340 0.001 0.000 0.223 3 Q C -0.279 175.794 176.000 0.122 0.000 0.828 3 Q CA -0.262 55.609 55.803 0.114 0.000 0.967 3 Q CB 0.625 29.411 28.738 0.080 0.000 1.139 3 Q HN 0.323 nan 8.270 nan 0.000 0.497 4 V N 2.011 122.012 119.914 0.145 0.000 2.547 4 V HA 0.530 4.651 4.120 0.001 0.000 0.299 4 V C 0.140 176.300 176.094 0.110 0.000 1.040 4 V CA -0.822 61.548 62.300 0.117 0.000 0.913 4 V CB 1.398 33.302 31.823 0.135 0.000 0.992 4 V HN 0.592 nan 8.190 nan 0.000 0.449 5 c N 1.685 120.293 118.600 0.014 0.000 3.259 5 c HA 0.891 5.461 4.570 0.001 0.000 0.328 5 c C -0.071 173.983 174.090 -0.059 0.000 1.425 5 c CA -0.580 55.660 56.329 -0.149 0.000 1.465 5 c CB 1.566 43.807 42.510 -0.449 0.000 1.890 5 c HN 0.718 nan 8.230 nan 0.000 0.450 6 T N 0.740 115.222 114.554 -0.121 0.000 2.856 6 T HA 0.688 5.038 4.350 0.001 0.000 0.283 6 T C 0.634 175.287 174.700 -0.079 0.000 1.008 6 T CA 0.375 62.447 62.100 -0.047 0.000 0.997 6 T CB 1.492 70.352 68.868 -0.014 0.000 0.992 6 T HN 1.222 nan 8.240 nan 0.000 0.454 7 G N 1.426 110.231 108.800 0.008 0.000 2.494 7 G HA2 0.571 4.532 3.960 0.001 0.000 0.270 7 G HA3 0.571 4.532 3.960 0.001 0.000 0.270 7 G C 0.239 175.121 174.900 -0.029 0.000 1.423 7 G CA -0.269 44.871 45.100 0.067 0.000 1.055 7 G HN 0.838 nan 8.290 nan 0.000 0.536 8 T N -3.780 110.771 114.554 -0.006 0.000 2.768 8 T HA 0.587 4.938 4.350 0.001 0.000 0.268 8 T C -1.039 173.651 174.700 -0.018 0.000 0.969 8 T CA -0.496 61.585 62.100 -0.032 0.000 1.008 8 T CB 2.336 71.206 68.868 0.002 0.000 1.371 8 T HN 0.320 nan 8.240 nan 0.000 0.587 9 D N 0.041 120.447 120.400 0.010 0.000 3.407 9 D HA 0.163 4.804 4.640 0.001 0.000 0.291 9 D C 0.658 176.999 176.300 0.067 0.000 1.309 9 D CA -0.231 53.801 54.000 0.053 0.000 0.747 9 D CB 0.057 40.870 40.800 0.021 0.000 1.343 9 D HN 0.718 nan 8.370 nan 0.000 0.631 10 M N -1.506 118.166 119.600 0.120 0.000 2.414 10 M HA 0.225 4.706 4.480 0.001 0.000 0.251 10 M C 0.654 177.070 176.300 0.194 0.000 1.116 10 M CA 0.015 55.394 55.300 0.131 0.000 1.056 10 M CB 0.376 33.075 32.600 0.164 0.000 1.388 10 M HN -0.249 nan 8.290 nan 0.000 0.487 11 K N 1.461 122.024 120.400 0.272 0.000 1.779 11 K HA -0.221 4.100 4.320 0.001 0.000 0.128 11 K C 0.846 177.634 176.600 0.314 0.000 1.288 11 K CA 1.914 58.413 56.287 0.353 0.000 0.398 11 K CB -1.790 30.896 32.500 0.309 0.000 0.609 11 K HN 0.504 nan 8.250 nan 0.000 0.874 12 L N 1.560 122.973 121.223 0.317 0.000 2.628 12 L HA 0.150 4.490 4.340 0.001 0.000 0.229 12 L C 0.816 177.880 176.870 0.323 0.000 1.137 12 L CA -0.189 54.856 54.840 0.343 0.000 0.909 12 L CB 0.016 42.274 42.059 0.332 0.000 1.137 12 L HN 0.208 nan 8.230 nan 0.000 0.470 13 R N 1.017 121.643 120.500 0.210 0.000 2.522 13 R HA 0.109 4.449 4.340 0.001 0.000 0.284 13 R C -0.205 176.082 176.300 -0.022 0.000 1.032 13 R CA -0.378 55.779 56.100 0.095 0.000 1.049 13 R CB 0.569 30.918 30.300 0.080 0.000 0.956 13 R HN -0.014 nan 8.270 nan 0.000 0.422 14 L N 6.027 127.120 121.223 -0.217 0.000 2.499 14 L HA 0.141 4.481 4.340 0.001 0.000 0.273 14 L C -2.039 174.627 176.870 -0.340 0.000 1.195 14 L CA -1.133 53.377 54.840 -0.549 0.000 0.882 14 L CB 0.423 42.210 42.059 -0.453 0.000 1.133 14 L HN 0.471 nan 8.230 nan 0.000 0.483 15 P HA 0.146 nan 4.420 nan 0.000 0.271 15 P C -0.101 177.083 177.300 -0.194 0.000 1.226 15 P CA -0.043 62.895 63.100 -0.269 0.000 0.765 15 P CB 1.162 32.540 31.700 -0.537 0.000 0.835 16 A N 2.700 125.465 122.820 -0.091 0.000 2.070 16 A HA -0.060 4.260 4.320 0.001 0.000 0.220 16 A C 1.345 178.797 177.584 -0.218 0.000 1.159 16 A CA 1.340 53.331 52.037 -0.077 0.000 0.656 16 A CB -0.322 18.718 19.000 0.067 0.000 0.800 16 A HN 0.471 nan 8.150 nan 0.000 0.453 17 S N -0.796 114.729 115.700 -0.293 0.000 2.259 17 S HA 0.480 4.950 4.470 0.001 0.000 0.181 17 S C -2.170 172.346 174.600 -0.141 0.000 1.589 17 S CA -1.264 56.712 58.200 -0.373 0.000 1.234 17 S CB 0.659 63.456 63.200 -0.673 0.000 1.119 17 S HN 0.070 nan 8.310 nan 0.000 0.458 18 P HA -0.116 nan 4.420 nan 0.000 0.218 18 P C 0.753 178.072 177.300 0.032 0.000 1.146 18 P CA 1.160 64.246 63.100 -0.022 0.000 0.813 18 P CB 0.185 31.863 31.700 -0.037 0.000 0.778 19 E N -1.468 118.729 120.200 -0.005 0.000 2.274 19 E HA -0.087 4.264 4.350 0.001 0.000 0.194 19 E C 1.633 178.233 176.600 -0.001 0.000 0.996 19 E CA 1.636 58.036 56.400 -0.000 0.000 0.840 19 E CB -0.939 28.750 29.700 -0.019 0.000 0.772 19 E HN 0.404 nan 8.360 nan 0.000 0.491 20 T N -3.486 111.066 114.554 -0.003 0.000 3.010 20 T HA 0.099 4.449 4.350 0.001 0.000 0.257 20 T C 1.456 176.210 174.700 0.090 0.000 1.020 20 T CA -0.008 62.097 62.100 0.009 0.000 0.938 20 T CB -0.158 68.682 68.868 -0.048 0.000 1.049 20 T HN 0.076 nan 8.240 nan 0.000 0.522 21 H N 1.817 120.903 119.070 0.027 0.000 2.321 21 H HA -0.053 4.503 4.556 0.001 0.000 0.295 21 H C 1.891 177.274 175.328 0.092 0.000 1.102 21 H CA 2.032 58.128 56.048 0.081 0.000 1.266 21 H CB -0.577 29.235 29.762 0.083 0.000 1.363 21 H HN 0.317 nan 8.280 nan 0.000 0.492 22 L N 0.253 121.491 121.223 0.026 0.000 2.093 22 L HA -0.077 4.264 4.340 0.001 0.000 0.208 22 L C 1.896 178.730 176.870 -0.060 0.000 1.085 22 L CA 2.177 57.015 54.840 -0.004 0.000 0.755 22 L CB -0.795 41.324 42.059 0.100 0.000 0.904 22 L HN 0.317 nan 8.230 nan 0.000 0.435 23 D N -1.068 119.311 120.400 -0.034 0.000 2.219 23 D HA -0.215 4.426 4.640 0.001 0.000 0.205 23 D C 2.091 178.386 176.300 -0.008 0.000 0.970 23 D CA 0.939 54.908 54.000 -0.051 0.000 0.851 23 D CB -0.004 40.806 40.800 0.017 0.000 0.943 23 D HN 0.349 nan 8.370 nan 0.000 0.488 24 M N -0.001 119.584 119.600 -0.025 0.000 2.077 24 M HA -0.115 4.365 4.480 0.001 0.000 0.261 24 M C 2.109 178.289 176.300 -0.200 0.000 1.070 24 M CA 0.985 56.253 55.300 -0.053 0.000 1.125 24 M CB -0.611 31.982 32.600 -0.013 0.000 1.339 24 M HN 0.046 nan 8.290 nan 0.000 0.409 25 L N -0.119 120.955 121.223 -0.247 0.000 2.012 25 L HA -0.263 4.078 4.340 0.001 0.000 0.210 25 L C 2.819 179.363 176.870 -0.544 0.000 1.073 25 L CA 1.873 56.580 54.840 -0.222 0.000 0.748 25 L CB -0.922 41.165 42.059 0.047 0.000 0.891 25 L HN 0.398 nan 8.230 nan 0.000 0.431 26 R N -0.794 119.106 120.500 -1.000 0.000 2.096 26 R HA -0.214 4.126 4.340 0.001 0.000 0.240 26 R C 2.452 178.296 176.300 -0.760 0.000 1.139 26 R CA 1.744 56.862 56.100 -1.638 0.000 0.952 26 R CB -0.366 29.270 30.300 -1.107 0.000 0.854 26 R HN 0.437 nan 8.270 nan 0.000 0.436 27 H N 0.124 118.934 119.070 -0.433 0.000 2.353 27 H HA -0.144 4.413 4.556 0.001 0.000 0.300 27 H C 2.138 177.355 175.328 -0.185 0.000 1.090 27 H CA 1.689 57.586 56.048 -0.252 0.000 1.327 27 H CB -0.127 29.501 29.762 -0.225 0.000 1.383 27 H HN 0.186 nan 8.280 nan 0.000 0.508 28 L N 0.177 121.252 121.223 -0.248 0.000 1.994 28 L HA -0.201 4.139 4.340 0.001 0.000 0.208 28 L C 1.818 178.319 176.870 -0.616 0.000 1.071 28 L CA 1.746 56.271 54.840 -0.526 0.000 0.745 28 L CB -0.630 40.919 42.059 -0.850 0.000 0.892 28 L HN 0.207 nan 8.230 nan 0.000 0.431 29 Y N -1.983 118.252 120.300 -0.109 0.000 2.478 29 Y HA 0.177 4.728 4.550 0.001 0.000 0.261 29 Y C 1.097 177.063 175.900 0.111 0.000 1.127 29 Y CA -0.467 57.636 58.100 0.005 0.000 1.288 29 Y CB -0.024 38.516 38.460 0.134 0.000 1.084 29 Y HN 0.161 nan 8.280 nan 0.000 0.530 30 Q N 0.806 120.707 119.800 0.168 0.000 2.262 30 Q HA 0.125 4.466 4.340 0.001 0.000 0.298 30 Q C 1.251 177.368 176.000 0.195 0.000 1.083 30 Q CA 1.325 57.233 55.803 0.175 0.000 0.962 30 Q CB 0.147 28.896 28.738 0.018 0.000 1.104 30 Q HN 0.663 nan 8.270 nan 0.000 0.376 31 G N 2.423 111.325 108.800 0.170 0.000 2.245 31 G HA2 -0.373 3.587 3.960 0.001 0.000 0.264 31 G HA3 -0.373 3.587 3.960 0.001 0.000 0.264 31 G C 0.352 175.346 174.900 0.158 0.000 0.985 31 G CA 0.017 45.197 45.100 0.133 0.000 0.625 31 G HN 0.812 nan 8.290 nan 0.000 0.536 32 c N 0.750 119.476 118.600 0.210 0.000 2.662 32 c HA 0.583 5.153 4.570 0.001 0.000 0.420 32 c C 1.828 175.985 174.090 0.113 0.000 1.314 32 c CA 1.125 57.559 56.329 0.176 0.000 1.963 32 c CB 0.674 43.293 42.510 0.182 0.000 2.686 32 c HN 0.635 nan 8.230 nan 0.000 0.609 33 Q N 2.253 122.102 119.800 0.082 0.000 2.477 33 Q HA 0.241 4.582 4.340 0.001 0.000 0.252 33 Q C -0.457 175.555 176.000 0.020 0.000 0.869 33 Q CA 0.439 56.267 55.803 0.042 0.000 0.969 33 Q CB 0.662 29.423 28.738 0.037 0.000 1.144 33 Q HN 0.642 nan 8.270 nan 0.000 0.577 34 V N 1.891 121.821 119.914 0.026 0.000 2.378 34 V HA 0.270 4.391 4.120 0.001 0.000 0.288 34 V C -0.532 175.565 176.094 0.005 0.000 1.016 34 V CA -0.573 61.726 62.300 -0.003 0.000 0.840 34 V CB 1.808 33.619 31.823 -0.021 0.000 0.994 34 V HN -0.077 nan 8.190 nan 0.000 0.431 35 V N 5.832 125.744 119.914 -0.004 0.000 2.320 35 V HA 0.278 4.398 4.120 0.001 0.000 0.265 35 V C 0.297 176.383 176.094 -0.013 0.000 1.048 35 V CA -0.640 61.673 62.300 0.023 0.000 0.865 35 V CB 0.977 32.819 31.823 0.032 0.000 1.043 35 V HN 0.806 nan 8.190 nan 0.000 0.474 36 Q N 2.974 122.766 119.800 -0.014 0.000 2.364 36 Q HA 0.477 4.818 4.340 0.001 0.000 0.267 36 Q C 0.935 176.930 176.000 -0.008 0.000 0.999 36 Q CA 0.999 56.787 55.803 -0.025 0.000 0.886 36 Q CB 1.194 29.934 28.738 0.004 0.000 1.243 36 Q HN 1.064 nan 8.270 nan 0.000 0.415 37 G N 2.946 111.732 108.800 -0.022 0.000 2.584 37 G HA2 -0.215 3.746 3.960 0.001 0.000 0.229 37 G HA3 -0.215 3.746 3.960 0.001 0.000 0.229 37 G C -0.674 174.151 174.900 -0.125 0.000 1.320 37 G CA -0.555 44.516 45.100 -0.049 0.000 0.891 37 G HN 0.656 nan 8.290 nan 0.000 0.573 38 N N -0.160 118.416 118.700 -0.207 0.000 2.417 38 N HA 0.517 5.257 4.740 0.001 0.000 0.300 38 N C -0.817 174.573 175.510 -0.200 0.000 1.102 38 N CA -0.602 52.213 53.050 -0.391 0.000 0.886 38 N CB 2.259 40.178 38.487 -0.946 0.000 1.203 38 N HN 0.657 nan 8.380 nan 0.000 0.496 39 L N 1.491 122.590 121.223 -0.207 0.000 2.259 39 L HA 0.288 4.629 4.340 0.001 0.000 0.288 39 L C -0.421 176.393 176.870 -0.094 0.000 1.051 39 L CA -0.078 54.666 54.840 -0.159 0.000 0.824 39 L CB -0.131 41.776 42.059 -0.252 0.000 1.206 39 L HN 0.436 nan 8.230 nan 0.000 0.429 40 E N 6.532 126.740 120.200 0.012 0.000 2.145 40 E HA 0.377 4.727 4.350 0.001 0.000 0.262 40 E C -1.149 175.519 176.600 0.112 0.000 0.883 40 E CA -0.398 56.047 56.400 0.076 0.000 0.748 40 E CB 1.549 31.332 29.700 0.137 0.000 1.140 40 E HN 0.539 nan 8.360 nan 0.000 0.417 41 L N 3.676 124.937 121.223 0.064 0.000 2.313 41 L HA 0.368 4.708 4.340 0.001 0.000 0.273 41 L C -0.016 176.909 176.870 0.092 0.000 1.028 41 L CA -0.420 54.470 54.840 0.083 0.000 0.871 41 L CB 0.772 42.833 42.059 0.004 0.000 1.242 41 L HN 0.549 nan 8.230 nan 0.000 0.434 42 T N -2.504 112.178 114.554 0.212 0.000 2.901 42 T HA 0.476 4.827 4.350 0.001 0.000 0.293 42 T C 0.136 174.998 174.700 0.269 0.000 1.084 42 T CA -0.638 61.549 62.100 0.146 0.000 1.008 42 T CB 1.029 70.003 68.868 0.177 0.000 1.170 42 T HN 0.419 nan 8.240 nan 0.000 0.509 43 Y N -0.579 119.807 120.300 0.143 0.000 3.305 43 Y HA -0.169 4.382 4.550 0.001 0.000 0.214 43 Y C 0.252 176.228 175.900 0.126 0.000 1.185 43 Y CA -0.065 58.089 58.100 0.090 0.000 1.326 43 Y CB -1.938 36.501 38.460 -0.036 0.000 1.367 43 Y HN 0.516 nan 8.280 nan 0.000 0.588 44 L N 3.287 124.634 121.223 0.207 0.000 2.305 44 L HA 0.340 4.681 4.340 0.001 0.000 0.281 44 L C -1.570 175.372 176.870 0.120 0.000 1.085 44 L CA -1.986 52.964 54.840 0.183 0.000 0.813 44 L CB 0.984 43.127 42.059 0.139 0.000 1.157 44 L HN -0.119 nan 8.230 nan 0.000 0.436 45 P HA -0.022 nan 4.420 nan 0.000 0.272 45 P C 0.491 177.823 177.300 0.053 0.000 1.240 45 P CA -0.286 62.861 63.100 0.078 0.000 0.791 45 P CB 0.963 32.709 31.700 0.076 0.000 0.978 46 T N 0.667 115.245 114.554 0.039 0.000 2.897 46 T HA -0.136 4.215 4.350 0.001 0.000 0.271 46 T C 1.250 175.962 174.700 0.019 0.000 1.084 46 T CA 1.942 64.056 62.100 0.024 0.000 1.123 46 T CB -1.014 67.865 68.868 0.019 0.000 0.865 46 T HN 0.618 nan 8.240 nan 0.000 0.496 47 N N 0.635 119.350 118.700 0.026 0.000 2.322 47 N HA 0.303 5.044 4.740 0.001 0.000 0.194 47 N C 0.232 175.756 175.510 0.024 0.000 1.126 47 N CA 0.070 53.133 53.050 0.021 0.000 0.845 47 N CB -0.112 38.389 38.487 0.023 0.000 0.976 47 N HN 0.275 nan 8.380 nan 0.000 0.475 48 A N 0.317 123.155 122.820 0.031 0.000 2.491 48 A HA 0.291 4.612 4.320 0.001 0.000 0.261 48 A C 0.361 177.947 177.584 0.004 0.000 1.101 48 A CA -0.315 51.745 52.037 0.038 0.000 0.772 48 A CB -0.131 18.902 19.000 0.055 0.000 1.043 48 A HN 0.325 nan 8.150 nan 0.000 0.501 49 S N 2.799 118.509 115.700 0.017 0.000 2.411 49 S HA 0.434 4.904 4.470 0.001 0.000 0.294 49 S C 0.338 174.872 174.600 -0.110 0.000 1.115 49 S CA -0.603 57.582 58.200 -0.025 0.000 1.071 49 S CB -0.306 62.904 63.200 0.015 0.000 0.967 49 S HN 0.586 nan 8.310 nan 0.000 0.488 50 L N 4.881 125.935 121.223 -0.282 0.000 2.872 50 L HA 0.179 4.519 4.340 0.001 0.000 0.245 50 L C 2.088 178.510 176.870 -0.747 0.000 1.211 50 L CA -0.129 54.288 54.840 -0.704 0.000 1.013 50 L CB -0.155 41.612 42.059 -0.486 0.000 1.326 50 L HN 0.802 nan 8.230 nan 0.000 0.525 51 S N 0.731 116.190 115.700 -0.402 0.000 2.440 51 S HA -0.242 4.228 4.470 0.001 0.000 0.238 51 S C 1.759 176.249 174.600 -0.184 0.000 1.010 51 S CA 1.098 59.161 58.200 -0.228 0.000 0.972 51 S CB -0.726 62.425 63.200 -0.083 0.000 0.774 51 S HN 0.587 nan 8.310 nan 0.000 0.501 52 F N 0.980 120.924 119.950 -0.009 0.000 2.641 52 F HA 0.347 4.875 4.527 0.001 0.000 0.298 52 F C 1.356 177.168 175.800 0.020 0.000 1.146 52 F CA -0.138 57.868 58.000 0.009 0.000 1.464 52 F CB -0.794 38.216 39.000 0.017 0.000 1.101 52 F HN 0.143 nan 8.300 nan 0.000 0.585 53 L N 0.929 122.050 121.223 -0.170 0.000 2.592 53 L HA 0.039 4.380 4.340 0.001 0.000 0.227 53 L C 2.440 179.255 176.870 -0.092 0.000 1.127 53 L CA 0.254 55.032 54.840 -0.102 0.000 0.884 53 L CB -0.621 41.275 42.059 -0.271 0.000 1.065 53 L HN 0.310 nan 8.230 nan 0.000 0.457 54 Q N -0.466 119.288 119.800 -0.076 0.000 2.364 54 Q HA -0.184 4.157 4.340 0.001 0.000 0.209 54 Q C 0.617 176.594 176.000 -0.038 0.000 0.977 54 Q CA 1.436 57.200 55.803 -0.066 0.000 0.885 54 Q CB -0.131 28.574 28.738 -0.054 0.000 0.941 54 Q HN 0.444 nan 8.270 nan 0.000 0.464 55 D N 0.755 121.152 120.400 -0.004 0.000 2.360 55 D HA 0.169 4.810 4.640 0.001 0.000 0.210 55 D C 0.237 176.534 176.300 -0.005 0.000 1.047 55 D CA -0.029 53.974 54.000 0.005 0.000 0.854 55 D CB 0.380 41.203 40.800 0.038 0.000 0.936 55 D HN 0.308 nan 8.370 nan 0.000 0.514 56 I N 1.741 122.295 120.570 -0.026 0.000 2.662 56 I HA -0.104 4.067 4.170 0.001 0.000 0.285 56 I C 1.583 177.664 176.117 -0.060 0.000 1.161 56 I CA 0.582 61.852 61.300 -0.048 0.000 1.415 56 I CB 0.691 38.625 38.000 -0.111 0.000 1.385 56 I HN -0.175 nan 8.210 nan 0.000 0.552 57 Q N 5.059 124.833 119.800 -0.045 0.000 2.471 57 Q HA 0.122 4.462 4.340 0.001 0.000 0.241 57 Q C -0.224 175.746 176.000 -0.051 0.000 0.886 57 Q CA 0.352 56.126 55.803 -0.047 0.000 0.953 57 Q CB 0.825 29.546 28.738 -0.030 0.000 1.108 57 Q HN 0.756 nan 8.270 nan 0.000 0.575 58 E N -0.419 119.752 120.200 -0.047 0.000 2.356 58 E HA 0.573 4.924 4.350 0.001 0.000 0.275 58 E C -1.246 175.321 176.600 -0.054 0.000 0.904 58 E CA -0.806 55.565 56.400 -0.049 0.000 0.757 58 E CB 2.474 32.146 29.700 -0.047 0.000 1.232 58 E HN -0.220 nan 8.360 nan 0.000 0.442 59 V N 2.648 122.531 119.914 -0.052 0.000 2.443 59 V HA 0.059 4.179 4.120 0.001 0.000 0.293 59 V C 0.888 176.955 176.094 -0.045 0.000 1.021 59 V CA -0.492 61.774 62.300 -0.057 0.000 0.848 59 V CB 1.409 33.191 31.823 -0.067 0.000 0.998 59 V HN 0.863 nan 8.190 nan 0.000 0.424 60 Q N 3.313 123.082 119.800 -0.052 0.000 2.119 60 Q HA -0.048 4.292 4.340 0.001 0.000 0.201 60 Q C 1.261 177.247 176.000 -0.024 0.000 0.972 60 Q CA 1.848 57.624 55.803 -0.045 0.000 0.847 60 Q CB 0.315 29.020 28.738 -0.054 0.000 0.903 60 Q HN 0.924 nan 8.270 nan 0.000 0.433 61 G N -0.348 108.424 108.800 -0.047 0.000 3.137 61 G HA2 0.201 4.162 3.960 0.001 0.000 0.163 61 G HA3 0.201 4.162 3.960 0.001 0.000 0.163 61 G C -0.388 174.529 174.900 0.029 0.000 1.602 61 G CA 0.189 45.266 45.100 -0.039 0.000 1.067 61 G HN 0.379 nan 8.290 nan 0.000 0.568 62 Y N -2.210 118.125 120.300 0.059 0.000 2.631 62 Y HA 0.745 5.296 4.550 0.001 0.000 0.328 62 Y C -0.677 175.244 175.900 0.034 0.000 1.118 62 Y CA -1.846 56.295 58.100 0.068 0.000 1.206 62 Y CB 1.389 39.923 38.460 0.123 0.000 1.337 62 Y HN 0.231 nan 8.280 nan 0.000 0.515 63 V N 3.141 123.228 119.914 0.287 0.000 2.350 63 V HA 0.360 4.481 4.120 0.001 0.000 0.285 63 V C -1.064 175.120 176.094 0.152 0.000 1.014 63 V CA -0.524 61.850 62.300 0.123 0.000 0.831 63 V CB 0.995 32.839 31.823 0.036 0.000 1.000 63 V HN 0.704 nan 8.190 nan 0.000 0.433 64 L N 7.216 128.511 121.223 0.119 0.000 2.313 64 L HA 0.701 5.041 4.340 0.001 0.000 0.283 64 L C -0.680 176.150 176.870 -0.067 0.000 1.013 64 L CA 0.062 54.882 54.840 -0.034 0.000 0.816 64 L CB 1.351 43.417 42.059 0.011 0.000 1.236 64 L HN 0.565 nan 8.230 nan 0.000 0.419 65 I N 5.689 126.184 120.570 -0.126 0.000 2.493 65 I HA 0.722 4.892 4.170 0.001 0.000 0.279 65 I C -0.590 175.435 176.117 -0.153 0.000 1.045 65 I CA -0.294 60.944 61.300 -0.103 0.000 1.106 65 I CB 1.442 39.391 38.000 -0.086 0.000 1.216 65 I HN 0.782 nan 8.210 nan 0.000 0.459 66 A N 3.749 126.475 122.820 -0.156 0.000 2.572 66 A HA 0.658 4.979 4.320 0.001 0.000 0.295 66 A C -0.078 177.357 177.584 -0.248 0.000 1.072 66 A CA -0.437 51.457 52.037 -0.237 0.000 0.691 66 A CB 0.923 19.762 19.000 -0.268 0.000 1.291 66 A HN 0.747 nan 8.150 nan 0.000 0.404 67 H N 0.059 118.950 119.070 -0.299 0.000 2.770 67 H HA -0.132 4.425 4.556 0.001 0.000 0.309 67 H C -0.204 174.963 175.328 -0.268 0.000 1.206 67 H CA 1.339 57.162 56.048 -0.375 0.000 1.147 67 H CB -1.178 28.075 29.762 -0.849 0.000 1.422 67 H HN 0.636 nan 8.280 nan 0.000 0.420 68 N N 0.673 119.328 118.700 -0.075 0.000 2.430 68 N HA 0.173 4.914 4.740 0.001 0.000 0.298 68 N C 1.135 176.642 175.510 -0.004 0.000 1.130 68 N CA -0.525 52.515 53.050 -0.017 0.000 0.894 68 N CB 1.444 39.919 38.487 -0.019 0.000 1.209 68 N HN 0.170 nan 8.380 nan 0.000 0.503 69 Q N -0.018 119.795 119.800 0.021 0.000 2.317 69 Q HA 0.159 4.499 4.340 0.001 0.000 0.220 69 Q C 0.409 176.414 176.000 0.009 0.000 0.873 69 Q CA -0.151 55.662 55.803 0.018 0.000 0.936 69 Q CB 0.396 29.154 28.738 0.034 0.000 1.105 69 Q HN 0.390 nan 8.270 nan 0.000 0.520 70 V N 2.045 121.964 119.914 0.009 0.000 2.872 70 V HA -0.082 4.038 4.120 0.001 0.000 0.307 70 V C 1.277 177.363 176.094 -0.012 0.000 1.072 70 V CA 0.541 62.840 62.300 -0.002 0.000 1.148 70 V CB 0.718 32.538 31.823 -0.006 0.000 0.954 70 V HN 0.259 nan 8.190 nan 0.000 0.490 71 R N 2.297 122.788 120.500 -0.015 0.000 2.173 71 R HA 0.139 4.480 4.340 0.001 0.000 0.208 71 R C 0.174 176.462 176.300 -0.019 0.000 1.035 71 R CA 0.239 56.330 56.100 -0.015 0.000 1.004 71 R CB 0.212 30.505 30.300 -0.012 0.000 0.917 71 R HN 0.708 nan 8.270 nan 0.000 0.462 72 Q N 0.329 120.110 119.800 -0.032 0.000 2.377 72 Q HA 0.259 4.600 4.340 0.001 0.000 0.279 72 Q C -1.673 174.285 176.000 -0.071 0.000 1.049 72 Q CA -0.766 55.011 55.803 -0.043 0.000 0.825 72 Q CB 2.567 31.280 28.738 -0.043 0.000 1.401 72 Q HN -0.001 nan 8.270 nan 0.000 0.404 73 V N 1.751 121.616 119.914 -0.083 0.000 2.305 73 V HA 0.658 4.778 4.120 0.001 0.000 0.275 73 V C -2.368 173.645 176.094 -0.135 0.000 1.020 73 V CA -1.833 60.396 62.300 -0.119 0.000 0.811 73 V CB 1.140 32.899 31.823 -0.106 0.000 1.031 73 V HN 0.830 nan 8.190 nan 0.000 0.439 74 P HA 0.146 nan 4.420 nan 0.000 0.252 74 P C -0.031 177.173 177.300 -0.160 0.000 1.635 74 P CA 0.356 63.367 63.100 -0.148 0.000 1.206 74 P CB 0.232 31.843 31.700 -0.149 0.000 1.911 75 L N 1.967 123.091 121.223 -0.165 0.000 3.094 75 L HA 0.196 4.537 4.340 0.001 0.000 0.254 75 L C 1.593 178.347 176.870 -0.193 0.000 1.298 75 L CA -0.138 54.596 54.840 -0.176 0.000 1.050 75 L CB 0.086 42.034 42.059 -0.185 0.000 1.420 75 L HN 0.034 nan 8.230 nan 0.000 0.548 76 Q N 0.088 119.787 119.800 -0.170 0.000 2.364 76 Q HA -0.058 4.283 4.340 0.001 0.000 0.209 76 Q C 1.592 177.500 176.000 -0.153 0.000 0.977 76 Q CA 1.184 56.882 55.803 -0.174 0.000 0.885 76 Q CB 0.024 28.684 28.738 -0.130 0.000 0.941 76 Q HN 0.355 nan 8.270 nan 0.000 0.464 77 R N -0.410 120.013 120.500 -0.128 0.000 2.393 77 R HA 0.167 4.507 4.340 0.001 0.000 0.244 77 R C -0.415 175.823 176.300 -0.102 0.000 0.920 77 R CA -0.352 55.688 56.100 -0.100 0.000 1.076 77 R CB 0.227 30.485 30.300 -0.071 0.000 1.119 77 R HN 0.107 nan 8.270 nan 0.000 0.524 78 L N 1.767 122.910 121.223 -0.133 0.000 2.456 78 L HA 0.067 4.407 4.340 0.001 0.000 0.277 78 L C 1.218 178.022 176.870 -0.111 0.000 1.124 78 L CA 0.443 55.211 54.840 -0.121 0.000 0.880 78 L CB 0.703 42.675 42.059 -0.145 0.000 1.192 78 L HN -0.147 nan 8.230 nan 0.000 0.463 79 R N 4.790 125.246 120.500 -0.073 0.000 2.128 79 R HA 0.410 4.750 4.340 0.001 0.000 0.211 79 R C -0.001 176.283 176.300 -0.028 0.000 1.067 79 R CA 0.856 56.925 56.100 -0.051 0.000 1.010 79 R CB 0.203 30.481 30.300 -0.036 0.000 0.922 79 R HN 0.712 nan 8.270 nan 0.000 0.457 80 I N -0.007 120.547 120.570 -0.027 0.000 2.752 80 I HA 0.358 4.529 4.170 0.001 0.000 0.295 80 I C -1.702 174.411 176.117 -0.006 0.000 1.219 80 I CA -1.110 60.186 61.300 -0.006 0.000 1.030 80 I CB 2.334 40.325 38.000 -0.016 0.000 1.259 80 I HN -0.262 nan 8.210 nan 0.000 0.423 81 V N 8.034 127.964 119.914 0.026 0.000 2.350 81 V HA 0.433 4.554 4.120 0.001 0.000 0.285 81 V C 0.936 177.051 176.094 0.036 0.000 1.014 81 V CA -0.461 61.860 62.300 0.034 0.000 0.831 81 V CB 1.293 33.163 31.823 0.078 0.000 1.000 81 V HN 0.817 nan 8.190 nan 0.000 0.433 82 R N 3.234 123.734 120.500 0.000 0.000 2.148 82 R HA 0.105 4.446 4.340 0.001 0.000 0.223 82 R C 1.619 177.925 176.300 0.011 0.000 1.088 82 R CA 0.769 56.856 56.100 -0.022 0.000 0.985 82 R CB 0.033 30.298 30.300 -0.058 0.000 0.880 82 R HN 1.045 nan 8.270 nan 0.000 0.451 83 G N 0.910 109.740 108.800 0.051 0.000 2.295 83 G HA2 -0.272 3.689 3.960 0.001 0.000 0.287 83 G HA3 -0.272 3.689 3.960 0.001 0.000 0.287 83 G C 0.547 175.487 174.900 0.066 0.000 1.055 83 G CA 0.696 45.849 45.100 0.088 0.000 0.922 83 G HN 0.303 nan 8.290 nan 0.000 0.503 84 T N -0.628 113.956 114.554 0.049 0.000 3.051 84 T HA 0.112 4.462 4.350 0.001 0.000 0.269 84 T C 1.037 175.782 174.700 0.075 0.000 1.127 84 T CA 1.791 63.917 62.100 0.043 0.000 1.107 84 T CB 0.003 68.888 68.868 0.027 0.000 0.898 84 T HN 0.747 nan 8.240 nan 0.000 0.517 85 Q N -0.203 119.674 119.800 0.129 0.000 2.379 85 Q HA 0.661 5.002 4.340 0.001 0.000 0.278 85 Q C -1.527 174.666 176.000 0.320 0.000 1.068 85 Q CA -0.617 55.307 55.803 0.202 0.000 0.816 85 Q CB 2.655 31.532 28.738 0.232 0.000 1.387 85 Q HN 0.183 nan 8.270 nan 0.000 0.413 86 L N 1.328 122.682 121.223 0.218 0.000 2.370 86 L HA 0.564 4.904 4.340 0.001 0.000 0.266 86 L C -0.847 175.927 176.870 -0.160 0.000 1.002 86 L CA -1.011 53.886 54.840 0.094 0.000 0.818 86 L CB 1.394 43.449 42.059 -0.006 0.000 1.325 86 L HN 0.566 nan 8.230 nan 0.000 0.418 87 F N 2.107 121.693 119.950 -0.606 0.000 2.495 87 F HA 0.098 4.625 4.527 0.001 0.000 0.365 87 F C 1.196 176.886 175.800 -0.182 0.000 1.090 87 F CA 0.016 57.618 58.000 -0.664 0.000 1.235 87 F CB 0.163 38.780 39.000 -0.638 0.000 1.119 87 F HN 0.701 nan 8.300 nan 0.000 0.562 88 E N 3.144 122.867 120.200 -0.796 0.000 2.805 88 E HA -0.379 3.971 4.350 0.001 0.000 0.266 88 E C 0.059 176.505 176.600 -0.258 0.000 1.092 88 E CA 0.965 57.061 56.400 -0.506 0.000 0.781 88 E CB -0.974 28.458 29.700 -0.447 0.000 1.379 88 E HN 0.857 nan 8.360 nan 0.000 0.433 89 D N -2.055 118.217 120.400 -0.214 0.000 3.028 89 D HA -0.201 4.440 4.640 0.001 0.000 0.207 89 D C 0.568 176.739 176.300 -0.214 0.000 1.100 89 D CA 1.366 55.271 54.000 -0.160 0.000 0.995 89 D CB -1.070 39.650 40.800 -0.133 0.000 1.108 89 D HN 0.468 nan 8.370 nan 0.000 0.421 90 N N -1.174 117.329 118.700 -0.328 0.000 2.324 90 N HA 0.002 4.743 4.740 0.001 0.000 0.235 90 N C -0.125 174.998 175.510 -0.646 0.000 1.162 90 N CA 0.212 52.906 53.050 -0.592 0.000 0.834 90 N CB 0.630 38.529 38.487 -0.980 0.000 1.354 90 N HN 0.155 nan 8.380 nan 0.000 0.471 91 Y N 0.655 120.951 120.300 -0.006 0.000 2.330 91 Y HA 0.572 5.123 4.550 0.001 0.000 0.336 91 Y C 1.122 177.068 175.900 0.077 0.000 1.036 91 Y CA -0.718 57.405 58.100 0.039 0.000 1.125 91 Y CB 1.592 40.094 38.460 0.070 0.000 1.194 91 Y HN -0.057 nan 8.280 nan 0.000 0.469 92 A N 2.700 125.666 122.820 0.243 0.000 2.072 92 A HA 0.174 4.494 4.320 0.001 0.000 0.216 92 A C -0.022 177.716 177.584 0.256 0.000 1.156 92 A CA 0.636 52.822 52.037 0.249 0.000 0.701 92 A CB 0.151 19.282 19.000 0.219 0.000 0.816 92 A HN 0.563 nan 8.150 nan 0.000 0.458 93 L N -0.891 120.466 121.223 0.224 0.000 2.439 93 L HA 0.746 5.086 4.340 0.001 0.000 0.270 93 L C -0.788 176.093 176.870 0.018 0.000 0.972 93 L CA -0.472 54.442 54.840 0.124 0.000 0.836 93 L CB 1.631 43.757 42.059 0.112 0.000 1.255 93 L HN 0.145 nan 8.230 nan 0.000 0.404 94 A N 4.878 127.650 122.820 -0.081 0.000 2.353 94 A HA 0.788 5.109 4.320 0.001 0.000 0.299 94 A C -1.565 175.873 177.584 -0.243 0.000 1.089 94 A CA -0.495 51.397 52.037 -0.242 0.000 0.736 94 A CB 1.586 20.298 19.000 -0.480 0.000 1.195 94 A HN 0.491 nan 8.150 nan 0.000 0.447 95 V N 4.500 124.288 119.914 -0.210 0.000 2.325 95 V HA 0.476 4.596 4.120 0.001 0.000 0.280 95 V C -0.435 175.544 176.094 -0.193 0.000 1.016 95 V CA -0.106 62.094 62.300 -0.168 0.000 0.818 95 V CB 0.521 32.289 31.823 -0.091 0.000 1.019 95 V HN 0.768 nan 8.190 nan 0.000 0.434 96 L N 2.388 123.471 121.223 -0.233 0.000 2.354 96 L HA 0.631 4.972 4.340 0.001 0.000 0.264 96 L C 0.047 176.721 176.870 -0.328 0.000 1.008 96 L CA -1.151 53.537 54.840 -0.255 0.000 0.819 96 L CB 1.771 43.675 42.059 -0.259 0.000 1.339 96 L HN 0.560 nan 8.230 nan 0.000 0.420 97 D N 1.148 121.359 120.400 -0.315 0.000 2.813 97 D HA -0.210 4.430 4.640 0.001 0.000 0.218 97 D C -0.422 175.709 176.300 -0.282 0.000 1.240 97 D CA 0.670 54.465 54.000 -0.342 0.000 0.644 97 D CB -1.152 39.293 40.800 -0.591 0.000 0.966 97 D HN 0.433 nan 8.370 nan 0.000 0.398 98 N N 1.408 120.002 118.700 -0.176 0.000 2.801 98 N HA 0.491 5.231 4.740 0.001 0.000 0.235 98 N C 0.237 175.706 175.510 -0.068 0.000 1.069 98 N CA 0.002 52.983 53.050 -0.114 0.000 0.946 98 N CB 1.421 39.849 38.487 -0.098 0.000 1.212 98 N HN 0.424 nan 8.380 nan 0.000 0.509 99 G N 0.822 109.593 108.800 -0.048 0.000 2.341 99 G HA2 -0.044 3.916 3.960 0.001 0.000 0.300 99 G HA3 -0.044 3.916 3.960 0.001 0.000 0.300 99 G C 0.193 175.089 174.900 -0.008 0.000 1.706 99 G CA -0.675 44.410 45.100 -0.026 0.000 0.916 99 G HN 0.135 nan 8.290 nan 0.000 0.716 100 D N 0.969 121.372 120.400 0.004 0.000 2.204 100 D HA -0.144 4.496 4.640 0.001 0.000 0.189 100 D C -0.410 175.901 176.300 0.018 0.000 1.006 100 D CA 2.119 56.129 54.000 0.017 0.000 0.855 100 D CB -0.957 39.851 40.800 0.014 0.000 0.946 100 D HN 0.412 nan 8.370 nan 0.000 0.448 101 P HA 0.422 nan 4.420 nan 0.000 0.343 101 P C 0.050 177.353 177.300 0.005 0.000 1.358 101 P CA -0.228 62.877 63.100 0.009 0.000 0.802 101 P CB 0.210 31.911 31.700 0.003 0.000 1.886 108 V N 0.170 120.087 119.914 0.004 0.000 2.221 108 V HA 0.259 4.379 4.120 0.001 0.000 0.240 108 V C 2.701 178.797 176.094 0.003 0.000 1.041 108 V CA 3.635 65.937 62.300 0.003 0.000 0.991 108 V CB -1.418 30.407 31.823 0.003 0.000 0.634 108 V HN 0.887 nan 8.190 nan 0.000 0.450 109 T N -0.010 114.547 114.554 0.003 0.000 2.701 109 T HA -0.217 4.134 4.350 0.001 0.000 0.265 109 T C 2.217 176.919 174.700 0.004 0.000 1.032 109 T CA 3.678 65.780 62.100 0.004 0.000 1.158 109 T CB -1.250 67.621 68.868 0.005 0.000 0.854 109 T HN 1.172 nan 8.240 nan 0.000 0.463 110 G N 1.212 110.014 108.800 0.004 0.000 2.844 110 G HA2 0.244 4.204 3.960 0.001 0.000 0.211 110 G HA3 0.244 4.204 3.960 0.001 0.000 0.211 110 G C 1.079 175.981 174.900 0.004 0.000 1.368 110 G CA 1.191 46.293 45.100 0.004 0.000 0.815 110 G HN 1.239 nan 8.290 nan 0.000 0.649 111 A N 0.189 123.011 122.820 0.004 0.000 2.491 111 A HA 0.505 4.825 4.320 0.001 0.000 0.261 111 A C 0.657 178.242 177.584 0.002 0.000 1.101 111 A CA 0.006 52.045 52.037 0.004 0.000 0.772 111 A CB 0.055 19.058 19.000 0.005 0.000 1.043 111 A HN 0.378 nan 8.150 nan 0.000 0.501 112 S N 4.870 120.571 115.700 0.000 0.000 2.498 112 S HA 0.274 4.744 4.470 0.001 0.000 0.281 112 S C -2.087 172.511 174.600 -0.003 0.000 1.265 112 S CA -0.501 57.697 58.200 -0.003 0.000 1.071 112 S CB -0.072 63.125 63.200 -0.005 0.000 0.894 112 S HN 0.638 nan 8.310 nan 0.000 0.491 113 P HA 0.045 nan 4.420 nan 0.000 0.264 113 P C 0.434 177.732 177.300 -0.004 0.000 1.173 113 P CA 0.203 63.301 63.100 -0.004 0.000 0.761 113 P CB 0.277 31.972 31.700 -0.008 0.000 0.794 114 G N 0.907 109.706 108.800 -0.001 0.000 2.507 114 G HA2 0.576 4.536 3.960 0.001 0.000 0.271 114 G HA3 0.576 4.536 3.960 0.001 0.000 0.271 114 G C -0.111 174.785 174.900 -0.006 0.000 1.189 114 G CA 0.031 45.131 45.100 -0.000 0.000 0.859 114 G HN 0.820 nan 8.290 nan 0.000 0.542 115 G N -1.055 107.740 108.800 -0.009 0.000 2.402 115 G HA2 0.344 4.305 3.960 0.001 0.000 0.666 115 G HA3 0.344 4.305 3.960 0.001 0.000 0.666 115 G C -1.003 173.887 174.900 -0.016 0.000 1.402 115 G CA -0.654 44.436 45.100 -0.017 0.000 0.920 115 G HN 1.194 nan 8.290 nan 0.000 0.651 116 L N 1.118 122.329 121.223 -0.020 0.000 2.462 116 L HA 0.499 4.839 4.340 0.001 0.000 0.272 116 L C 1.815 178.687 176.870 0.004 0.000 1.166 116 L CA 0.357 55.191 54.840 -0.009 0.000 0.880 116 L CB 0.486 42.538 42.059 -0.012 0.000 1.142 116 L HN 0.687 nan 8.230 nan 0.000 0.473 117 R N 2.947 123.458 120.500 0.018 0.000 2.123 117 R HA 0.163 4.503 4.340 0.001 0.000 0.209 117 R C -0.487 175.868 176.300 0.091 0.000 1.078 117 R CA 0.622 56.742 56.100 0.033 0.000 1.028 117 R CB 0.210 30.524 30.300 0.024 0.000 0.939 117 R HN 0.784 nan 8.270 nan 0.000 0.463 118 E N 0.072 120.339 120.200 0.113 0.000 2.366 118 E HA 0.196 4.547 4.350 0.001 0.000 0.278 118 E C 0.119 176.810 176.600 0.151 0.000 0.923 118 E CA -0.502 56.016 56.400 0.195 0.000 0.761 118 E CB 1.663 31.498 29.700 0.226 0.000 1.231 118 E HN -0.144 nan 8.360 nan 0.000 0.443 119 L N 0.724 122.086 121.223 0.233 0.000 2.056 119 L HA -0.135 4.205 4.340 0.001 0.000 0.207 119 L C 0.916 177.806 176.870 0.033 0.000 1.078 119 L CA 1.078 56.026 54.840 0.180 0.000 0.749 119 L CB -0.471 41.818 42.059 0.383 0.000 0.901 119 L HN 0.743 nan 8.230 nan 0.000 0.433 120 Q N -0.299 119.558 119.800 0.095 0.000 2.481 120 Q HA -0.222 4.119 4.340 0.001 0.000 0.272 120 Q C -0.041 175.714 176.000 -0.409 0.000 1.157 120 Q CA 0.365 56.120 55.803 -0.081 0.000 0.935 120 Q CB -2.098 26.602 28.738 -0.063 0.000 1.338 120 Q HN 0.488 nan 8.270 nan 0.000 0.494 121 L N 1.502 122.175 121.223 -0.918 0.000 2.583 121 L HA 0.118 4.459 4.340 0.001 0.000 0.239 121 L C 1.908 177.900 176.870 -1.463 0.000 1.347 121 L CA -0.054 54.123 54.840 -1.105 0.000 1.246 121 L CB -0.242 41.089 42.059 -1.212 0.000 1.496 121 L HN 0.226 nan 8.230 nan 0.000 0.413 122 R N -2.021 117.984 120.500 -0.826 0.000 2.339 122 R HA 0.015 4.355 4.340 0.001 0.000 0.199 122 R C 0.882 177.062 176.300 -0.200 0.000 1.018 122 R CA 0.591 56.441 56.100 -0.416 0.000 1.036 122 R CB -0.125 30.107 30.300 -0.115 0.000 0.899 122 R HN 0.273 nan 8.270 nan 0.000 0.473 123 S N 0.622 116.173 115.700 -0.249 0.000 2.540 123 S HA 0.112 4.583 4.470 0.001 0.000 0.222 123 S C 0.167 174.698 174.600 -0.115 0.000 1.008 123 S CA -0.587 57.534 58.200 -0.132 0.000 0.939 123 S CB 0.292 63.422 63.200 -0.117 0.000 0.865 123 S HN 0.185 nan 8.310 nan 0.000 0.499 124 L N 4.306 125.411 121.223 -0.197 0.000 2.536 124 L HA 0.220 4.560 4.340 0.001 0.000 0.282 124 L C 0.866 177.744 176.870 0.014 0.000 1.147 124 L CA 0.741 55.513 54.840 -0.113 0.000 0.936 124 L CB -0.300 41.639 42.059 -0.200 0.000 1.279 124 L HN 0.163 nan 8.230 nan 0.000 0.461 125 T N 0.169 114.742 114.554 0.031 0.000 3.084 125 T HA 0.383 4.733 4.350 0.001 0.000 0.270 125 T C 0.251 175.000 174.700 0.082 0.000 1.008 125 T CA -0.286 61.849 62.100 0.059 0.000 0.900 125 T CB -0.030 68.863 68.868 0.042 0.000 1.084 125 T HN 0.468 nan 8.240 nan 0.000 0.538 126 E N 0.668 120.923 120.200 0.092 0.000 2.307 126 E HA 0.565 4.915 4.350 0.001 0.000 0.280 126 E C -1.844 174.841 176.600 0.143 0.000 0.900 126 E CA -0.543 55.931 56.400 0.123 0.000 0.790 126 E CB 1.338 31.089 29.700 0.086 0.000 1.261 126 E HN 0.379 nan 8.360 nan 0.000 0.405 127 I N 6.982 127.685 120.570 0.222 0.000 2.466 127 I HA 0.191 4.362 4.170 0.001 0.000 0.279 127 I C 0.875 177.123 176.117 0.218 0.000 1.033 127 I CA -0.425 61.024 61.300 0.248 0.000 1.123 127 I CB 1.090 39.340 38.000 0.417 0.000 1.237 127 I HN 0.631 nan 8.210 nan 0.000 0.460 128 L N 4.107 125.380 121.223 0.084 0.000 2.046 128 L HA -0.051 4.289 4.340 0.001 0.000 0.208 128 L C 1.107 177.988 176.870 0.020 0.000 1.077 128 L CA 1.592 56.423 54.840 -0.014 0.000 0.747 128 L CB -0.223 41.757 42.059 -0.132 0.000 0.896 128 L HN 0.506 nan 8.230 nan 0.000 0.432 129 K N -0.653 119.764 120.400 0.029 0.000 2.498 129 K HA 0.509 4.830 4.320 0.001 0.000 0.254 129 K C -0.683 175.918 176.600 0.002 0.000 0.933 129 K CA 0.104 56.390 56.287 -0.002 0.000 0.806 129 K CB 2.113 34.606 32.500 -0.012 0.000 1.301 129 K HN 0.095 nan 8.250 nan 0.000 0.432 130 G N 0.784 109.536 108.800 -0.081 0.000 2.612 130 G HA2 0.136 4.097 3.960 0.001 0.000 0.686 130 G HA3 0.136 4.097 3.960 0.001 0.000 0.686 130 G C -0.382 174.431 174.900 -0.145 0.000 1.274 130 G CA -0.520 44.522 45.100 -0.096 0.000 0.849 130 G HN 0.910 nan 8.290 nan 0.000 0.595 131 G N -1.918 106.826 108.800 -0.092 0.000 3.107 131 G HA2 0.852 4.813 3.960 0.001 0.000 0.232 131 G HA3 0.852 4.813 3.960 0.001 0.000 0.232 131 G C -0.914 174.232 174.900 0.409 0.000 1.339 131 G CA 0.032 45.172 45.100 0.067 0.000 1.033 131 G HN 1.561 nan 8.290 nan 0.000 0.567 132 V N 0.374 120.531 119.914 0.405 0.000 2.444 132 V HA 0.499 4.620 4.120 0.001 0.000 0.294 132 V C -1.031 174.999 176.094 -0.106 0.000 1.022 132 V CA -0.554 61.776 62.300 0.049 0.000 0.850 132 V CB 1.365 32.885 31.823 -0.504 0.000 0.992 132 V HN 0.589 nan 8.190 nan 0.000 0.426 133 L N 7.333 128.359 121.223 -0.327 0.000 2.316 133 L HA 0.694 5.035 4.340 0.001 0.000 0.280 133 L C -0.840 175.816 176.870 -0.357 0.000 1.006 133 L CA 0.191 54.678 54.840 -0.588 0.000 0.836 133 L CB 1.041 42.388 42.059 -1.188 0.000 1.221 133 L HN 0.571 nan 8.230 nan 0.000 0.418 134 I N 5.449 125.854 120.570 -0.275 0.000 2.439 134 I HA 0.458 4.629 4.170 0.001 0.000 0.283 134 I C -0.783 175.245 176.117 -0.149 0.000 1.023 134 I CA -0.476 60.712 61.300 -0.186 0.000 1.100 134 I CB 1.476 39.395 38.000 -0.135 0.000 1.238 134 I HN 0.538 nan 8.210 nan 0.000 0.445 135 Q N 5.010 124.724 119.800 -0.144 0.000 2.456 135 Q HA 0.505 4.845 4.340 0.001 0.000 0.283 135 Q C -0.535 175.399 176.000 -0.110 0.000 1.084 135 Q CA -1.048 54.685 55.803 -0.116 0.000 0.801 135 Q CB 2.680 31.348 28.738 -0.117 0.000 1.434 135 Q HN 0.499 nan 8.270 nan 0.000 0.419 136 R N 1.270 121.719 120.500 -0.086 0.000 3.158 136 R HA -0.160 4.180 4.340 0.001 0.000 0.244 136 R C -0.658 175.588 176.300 -0.089 0.000 0.900 136 R CA 0.366 56.417 56.100 -0.082 0.000 0.618 136 R CB -1.476 28.771 30.300 -0.088 0.000 1.061 136 R HN 0.450 nan 8.270 nan 0.000 0.471 137 N N 0.324 118.981 118.700 -0.072 0.000 2.851 137 N HA 0.131 4.872 4.740 0.001 0.000 0.248 137 N C -2.071 173.411 175.510 -0.047 0.000 1.221 137 N CA -1.506 51.506 53.050 -0.063 0.000 0.847 137 N CB 1.761 40.215 38.487 -0.056 0.000 1.150 137 N HN -0.025 nan 8.380 nan 0.000 0.507 138 P HA -0.157 nan 4.420 nan 0.000 0.217 138 P C 0.822 178.101 177.300 -0.036 0.000 1.151 138 P CA 1.497 64.575 63.100 -0.036 0.000 0.849 138 P CB 0.423 32.106 31.700 -0.030 0.000 0.787 139 Q N -1.555 118.225 119.800 -0.033 0.000 2.188 139 Q HA 0.202 4.543 4.340 0.001 0.000 0.212 139 Q C 0.050 176.031 176.000 -0.031 0.000 0.846 139 Q CA -0.345 55.438 55.803 -0.033 0.000 0.989 139 Q CB -0.003 28.721 28.738 -0.025 0.000 1.114 139 Q HN 0.249 nan 8.270 nan 0.000 0.488 140 L N 0.675 121.879 121.223 -0.031 0.000 2.292 140 L HA 0.291 4.632 4.340 0.001 0.000 0.284 140 L C -0.732 176.104 176.870 -0.056 0.000 1.065 140 L CA -0.058 54.773 54.840 -0.014 0.000 0.806 140 L CB 0.903 42.965 42.059 0.004 0.000 1.175 140 L HN 0.045 nan 8.230 nan 0.000 0.431 141 c N 3.066 121.625 118.600 -0.068 0.000 2.771 141 c HA 0.511 5.082 4.570 0.001 0.000 0.333 141 c C 0.296 174.282 174.090 -0.173 0.000 1.267 141 c CA -0.365 55.774 56.329 -0.316 0.000 1.721 141 c CB 1.120 43.186 42.510 -0.740 0.000 2.222 141 c HN 0.977 nan 8.230 nan 0.000 0.485 142 Y N -1.025 119.274 120.300 -0.002 0.000 4.543 142 Y HA -0.367 4.184 4.550 0.001 0.000 0.303 142 Y C 2.275 178.142 175.900 -0.055 0.000 1.054 142 Y CA 1.308 59.383 58.100 -0.042 0.000 1.902 142 Y CB -1.515 36.918 38.460 -0.046 0.000 1.052 142 Y HN 0.814 nan 8.280 nan 0.000 0.448 143 Q N 2.014 121.898 119.800 0.141 0.000 2.308 143 Q HA -0.213 4.127 4.340 0.001 0.000 0.209 143 Q C 1.128 177.254 176.000 0.211 0.000 0.985 143 Q CA 2.208 58.144 55.803 0.221 0.000 0.881 143 Q CB -0.431 28.454 28.738 0.245 0.000 0.917 143 Q HN 0.770 nan 8.270 nan 0.000 0.443 144 D N 0.950 121.405 120.400 0.091 0.000 2.333 144 D HA -0.080 4.561 4.640 0.001 0.000 0.208 144 D C 1.575 177.875 176.300 0.001 0.000 0.984 144 D CA 1.314 55.360 54.000 0.077 0.000 0.873 144 D CB -0.473 40.345 40.800 0.030 0.000 0.935 144 D HN 0.377 nan 8.370 nan 0.000 0.521 145 T N -1.635 112.880 114.554 -0.064 0.000 3.129 145 T HA 0.165 4.515 4.350 0.001 0.000 0.251 145 T C 0.779 175.304 174.700 -0.292 0.000 1.117 145 T CA -0.458 61.567 62.100 -0.125 0.000 1.034 145 T CB -0.231 68.594 68.868 -0.072 0.000 0.968 145 T HN -0.065 nan 8.240 nan 0.000 0.526 146 I N 2.339 122.637 120.570 -0.454 0.000 2.365 146 I HA 0.358 4.528 4.170 0.001 0.000 0.291 146 I C -0.070 175.582 176.117 -0.775 0.000 1.004 146 I CA -1.475 59.303 61.300 -0.869 0.000 1.311 146 I CB 1.333 38.371 38.000 -1.602 0.000 1.401 146 I HN 0.215 nan 8.210 nan 0.000 0.491 147 L N 7.486 128.347 121.223 -0.603 0.000 2.356 147 L HA 0.172 4.513 4.340 0.001 0.000 0.282 147 L C 0.227 176.842 176.870 -0.424 0.000 1.132 147 L CA 0.176 54.798 54.840 -0.364 0.000 0.923 147 L CB -0.071 41.855 42.059 -0.223 0.000 1.278 147 L HN 0.522 nan 8.230 nan 0.000 0.436 148 W N 2.289 123.449 121.300 -0.233 0.000 2.374 148 W HA -0.136 4.524 4.660 0.001 0.000 0.288 148 W C 1.904 178.100 176.519 -0.537 0.000 1.218 148 W CA 0.363 57.446 57.345 -0.437 0.000 1.245 148 W CB -0.079 29.090 29.460 -0.485 0.000 1.126 148 W HN 0.421 nan 8.180 nan 0.000 0.545 149 K N 0.102 120.496 120.400 -0.009 0.000 2.152 149 K HA -0.200 4.120 4.320 0.001 0.000 0.206 149 K C 1.277 177.919 176.600 0.069 0.000 1.048 149 K CA 1.839 58.205 56.287 0.132 0.000 0.933 149 K CB -0.888 31.697 32.500 0.142 0.000 0.721 149 K HN 0.266 nan 8.250 nan 0.000 0.447 150 D N 0.652 121.037 120.400 -0.025 0.000 2.117 150 D HA -0.046 4.594 4.640 0.001 0.000 0.198 150 D C 1.906 178.212 176.300 0.010 0.000 0.982 150 D CA 0.753 54.743 54.000 -0.017 0.000 0.828 150 D CB 0.101 40.862 40.800 -0.064 0.000 0.967 150 D HN 0.112 nan 8.370 nan 0.000 0.464 151 I N -0.260 120.285 120.570 -0.041 0.000 2.179 151 I HA -0.162 4.008 4.170 0.001 0.000 0.242 151 I C 0.611 176.825 176.117 0.161 0.000 1.088 151 I CA 0.287 61.604 61.300 0.029 0.000 1.357 151 I CB -0.446 37.560 38.000 0.010 0.000 1.051 151 I HN -0.042 nan 8.210 nan 0.000 0.409 152 F N 1.668 121.732 119.950 0.191 0.000 2.607 152 F HA -0.067 4.460 4.527 0.001 0.000 0.374 152 F C 1.293 177.179 175.800 0.144 0.000 1.104 152 F CA -0.096 58.006 58.000 0.170 0.000 1.296 152 F CB -0.031 39.059 39.000 0.151 0.000 1.085 152 F HN 0.172 nan 8.300 nan 0.000 0.584 153 H N 4.414 123.638 119.070 0.257 0.000 2.679 153 H HA 0.061 4.617 4.556 0.001 0.000 0.369 153 H C 0.826 176.221 175.328 0.112 0.000 1.178 153 H CA -0.097 56.033 56.048 0.136 0.000 1.419 153 H CB 1.046 30.857 29.762 0.082 0.000 1.458 153 H HN 0.702 nan 8.280 nan 0.000 0.605 154 K N 2.347 122.476 120.400 -0.451 0.000 2.032 154 K HA -0.183 4.137 4.320 0.001 0.000 0.209 154 K C 1.425 178.021 176.600 -0.007 0.000 1.048 154 K CA 1.974 58.140 56.287 -0.202 0.000 0.927 154 K CB -0.033 32.305 32.500 -0.269 0.000 0.712 154 K HN 0.562 nan 8.250 nan 0.000 0.441 155 N N 1.113 119.909 118.700 0.160 0.000 2.571 155 N HA -0.085 4.656 4.740 0.001 0.000 0.189 155 N C 0.185 175.786 175.510 0.152 0.000 1.154 155 N CA 0.117 53.289 53.050 0.205 0.000 0.907 155 N CB -0.178 38.471 38.487 0.270 0.000 0.977 155 N HN 0.129 nan 8.380 nan 0.000 0.449 156 N N 1.801 120.599 118.700 0.163 0.000 2.417 156 N HA -0.077 4.663 4.740 0.001 0.000 0.272 156 N C 0.325 175.816 175.510 -0.032 0.000 1.304 156 N CA 0.361 53.442 53.050 0.051 0.000 0.906 156 N CB 0.479 38.988 38.487 0.038 0.000 1.135 156 N HN 0.219 nan 8.380 nan 0.000 0.483 157 Q N 3.187 122.960 119.800 -0.045 0.000 2.444 157 Q HA 0.078 4.418 4.340 0.001 0.000 0.206 157 Q C 0.348 176.278 176.000 -0.117 0.000 0.948 157 Q CA 0.507 56.273 55.803 -0.062 0.000 0.946 157 Q CB 0.507 29.221 28.738 -0.039 0.000 1.027 157 Q HN 0.637 nan 8.270 nan 0.000 0.513 158 L N 0.164 121.278 121.223 -0.181 0.000 3.255 158 L HA 0.366 4.706 4.340 0.001 0.000 0.293 158 L C 0.318 176.927 176.870 -0.435 0.000 1.302 158 L CA -0.457 54.232 54.840 -0.251 0.000 0.977 158 L CB 0.679 42.603 42.059 -0.225 0.000 1.390 158 L HN -0.157 nan 8.230 nan 0.000 0.588 159 A N 1.278 123.789 122.820 -0.514 0.000 3.065 159 A HA 0.204 4.525 4.320 0.001 0.000 0.262 159 A C 0.118 177.378 177.584 -0.539 0.000 1.901 159 A CA 0.224 51.658 52.037 -1.004 0.000 1.475 159 A CB -0.586 18.113 19.000 -0.501 0.000 0.984 159 A HN 0.467 nan 8.150 nan 0.000 0.618 160 L N 0.220 121.198 121.223 -0.408 0.000 2.375 160 L HA 0.722 5.062 4.340 0.001 0.000 0.268 160 L C -0.199 176.737 176.870 0.110 0.000 1.058 160 L CA -0.215 54.566 54.840 -0.097 0.000 0.803 160 L CB 2.063 44.044 42.059 -0.130 0.000 1.212 160 L HN 0.301 nan 8.230 nan 0.000 0.451 161 T N 3.875 118.523 114.554 0.156 0.000 2.923 161 T HA 0.512 4.862 4.350 0.001 0.000 0.311 161 T C -0.916 173.834 174.700 0.082 0.000 1.183 161 T CA -0.428 61.755 62.100 0.139 0.000 1.020 161 T CB 1.543 70.475 68.868 0.108 0.000 1.165 161 T HN 0.447 nan 8.240 nan 0.000 0.482 162 L N 3.629 124.851 121.223 -0.003 0.000 2.492 162 L HA 0.475 4.816 4.340 0.001 0.000 0.259 162 L C -1.227 175.574 176.870 -0.116 0.000 1.229 162 L CA -0.362 54.453 54.840 -0.043 0.000 0.903 162 L CB 0.684 42.714 42.059 -0.048 0.000 1.114 162 L HN 0.554 nan 8.230 nan 0.000 0.494 163 I N 0.814 121.330 120.570 -0.089 0.000 2.330 163 I HA 0.248 4.419 4.170 0.001 0.000 0.289 163 I C -0.146 175.942 176.117 -0.048 0.000 1.001 163 I CA -0.420 60.826 61.300 -0.090 0.000 1.193 163 I CB 1.875 39.832 38.000 -0.072 0.000 1.345 163 I HN 0.361 nan 8.210 nan 0.000 0.461 164 D N 3.821 124.187 120.400 -0.057 0.000 2.255 164 D HA 0.244 4.885 4.640 0.001 0.000 0.249 164 D C 0.827 177.109 176.300 -0.031 0.000 1.078 164 D CA -0.227 53.748 54.000 -0.043 0.000 0.896 164 D CB 1.382 42.150 40.800 -0.054 0.000 1.194 164 D HN 0.653 nan 8.370 nan 0.000 0.429 165 T N -0.670 113.868 114.554 -0.026 0.000 3.004 165 T HA 0.154 4.504 4.350 0.001 0.000 0.266 165 T C 0.286 174.966 174.700 -0.034 0.000 0.986 165 T CA -0.608 61.476 62.100 -0.027 0.000 0.902 165 T CB -0.236 68.619 68.868 -0.022 0.000 1.118 165 T HN 0.246 nan 8.240 nan 0.000 0.522 166 N N 3.637 122.317 118.700 -0.032 0.000 2.394 166 N HA 0.083 4.824 4.740 0.001 0.000 0.277 166 N C 0.036 175.524 175.510 -0.036 0.000 1.346 166 N CA 0.469 53.500 53.050 -0.031 0.000 0.910 166 N CB 0.303 38.773 38.487 -0.028 0.000 1.201 166 N HN 0.557 nan 8.380 nan 0.000 0.488 167 R N 0.278 120.754 120.500 -0.040 0.000 2.691 167 R HA 0.367 4.708 4.340 0.001 0.000 0.259 167 R C 0.568 176.846 176.300 -0.037 0.000 1.048 167 R CA -0.644 55.429 56.100 -0.045 0.000 1.086 167 R CB 1.074 31.338 30.300 -0.061 0.000 1.166 167 R HN 0.323 nan 8.270 nan 0.000 0.526 168 S N -0.006 115.672 115.700 -0.037 0.000 2.749 168 S HA 0.159 4.629 4.470 0.001 0.000 0.246 168 S C -0.501 174.082 174.600 -0.029 0.000 1.023 168 S CA -0.527 57.656 58.200 -0.028 0.000 1.012 168 S CB 0.026 63.212 63.200 -0.024 0.000 0.942 168 S HN 0.594 nan 8.310 nan 0.000 0.531 169 R N -0.533 119.945 120.500 -0.038 0.000 2.747 169 R HA 0.811 5.152 4.340 0.001 0.000 0.272 169 R C -1.274 174.999 176.300 -0.045 0.000 1.032 169 R CA -0.936 55.142 56.100 -0.038 0.000 0.896 169 R CB 0.522 30.794 30.300 -0.046 0.000 1.253 169 R HN 0.047 nan 8.270 nan 0.000 0.461 170 A N 0.800 123.600 122.820 -0.033 0.000 2.306 170 A HA 0.598 4.919 4.320 0.001 0.000 0.314 170 A C -0.483 177.077 177.584 -0.040 0.000 1.164 170 A CA -0.719 51.305 52.037 -0.022 0.000 0.822 170 A CB 0.671 19.682 19.000 0.019 0.000 1.130 170 A HN 0.711 nan 8.150 nan 0.000 0.496 171 c N 1.804 120.367 118.600 -0.062 0.000 2.330 171 c HA 0.454 5.025 4.570 0.001 0.000 0.344 171 c C 0.648 174.785 174.090 0.079 0.000 1.273 171 c CA -0.397 55.866 56.329 -0.111 0.000 1.879 171 c CB -0.793 41.522 42.510 -0.326 0.000 2.376 171 c HN 0.916 nan 8.230 nan 0.000 0.534 172 H N 3.195 122.284 119.070 0.031 0.000 2.615 172 H HA 0.234 4.791 4.556 0.001 0.000 0.363 172 H C -1.696 173.724 175.328 0.154 0.000 1.148 172 H CA -0.991 55.107 56.048 0.084 0.000 1.401 172 H CB 0.670 30.497 29.762 0.109 0.000 1.461 172 H HN 0.527 nan 8.280 nan 0.000 0.588 173 P HA 0.022 nan 4.420 nan 0.000 0.274 173 P C -0.152 177.277 177.300 0.214 0.000 1.246 173 P CA -0.439 62.778 63.100 0.194 0.000 0.795 173 P CB 0.738 32.489 31.700 0.084 0.000 1.006 174 c N 0.583 119.289 118.600 0.176 0.000 2.741 174 c HA 0.075 4.646 4.570 0.001 0.000 0.403 174 c C 1.806 175.896 174.090 0.001 0.000 1.282 174 c CA 0.289 56.636 56.329 0.030 0.000 2.053 174 c CB -0.620 41.882 42.510 -0.013 0.000 2.731 174 c HN 0.675 nan 8.230 nan 0.000 0.680 175 S N 1.988 117.663 115.700 -0.043 0.000 2.573 175 S HA 0.076 4.547 4.470 0.001 0.000 0.277 175 S C -1.325 173.260 174.600 -0.024 0.000 1.346 175 S CA -0.630 57.553 58.200 -0.029 0.000 1.034 175 S CB 0.477 63.653 63.200 -0.041 0.000 0.879 175 S HN 0.594 nan 8.310 nan 0.000 0.528 176 P HA -0.076 nan 4.420 nan 0.000 0.219 176 P C 1.447 178.733 177.300 -0.022 0.000 1.146 176 P CA 1.113 64.202 63.100 -0.018 0.000 0.808 176 P CB 0.065 31.755 31.700 -0.015 0.000 0.779 177 M N -1.719 117.866 119.600 -0.025 0.000 2.358 177 M HA -0.083 4.398 4.480 0.001 0.000 0.264 177 M C 0.489 176.769 176.300 -0.033 0.000 1.064 177 M CA 0.745 56.029 55.300 -0.026 0.000 1.093 177 M CB -1.583 31.001 32.600 -0.026 0.000 1.401 177 M HN -0.069 nan 8.290 nan 0.000 0.440 178 c N 2.025 120.601 118.600 -0.040 0.000 2.540 178 c HA 0.096 4.667 4.570 0.001 0.000 0.377 178 c C 1.987 176.048 174.090 -0.047 0.000 1.274 178 c CA -0.760 55.538 56.329 -0.052 0.000 1.718 178 c CB -0.145 42.323 42.510 -0.070 0.000 2.391 178 c HN 0.457 nan 8.230 nan 0.000 0.565 179 K N 2.928 123.299 120.400 -0.047 0.000 1.974 179 K HA -0.176 4.144 4.320 0.001 0.000 0.232 179 K C 1.721 178.293 176.600 -0.045 0.000 1.027 179 K CA 1.565 57.826 56.287 -0.043 0.000 1.049 179 K CB -1.169 31.305 32.500 -0.044 0.000 0.732 179 K HN 0.952 nan 8.250 nan 0.000 0.452 180 G N -0.283 108.483 108.800 -0.057 0.000 3.530 180 G HA2 0.291 4.252 3.960 0.001 0.000 0.269 180 G HA3 0.291 4.252 3.960 0.001 0.000 0.269 180 G C -0.173 174.689 174.900 -0.063 0.000 1.314 180 G CA 0.323 45.389 45.100 -0.057 0.000 1.441 180 G HN 0.417 nan 8.290 nan 0.000 0.595 181 S N -1.028 114.638 115.700 -0.056 0.000 3.641 181 S HA -0.177 4.294 4.470 0.001 0.000 0.346 181 S C 0.680 175.233 174.600 -0.079 0.000 1.074 181 S CA 0.744 58.915 58.200 -0.048 0.000 1.026 181 S CB -0.954 62.229 63.200 -0.029 0.000 0.908 181 S HN 0.758 nan 8.310 nan 0.000 0.479 182 R N 0.643 121.068 120.500 -0.125 0.000 2.288 182 R HA 0.576 4.917 4.340 0.001 0.000 0.326 182 R C 0.083 176.226 176.300 -0.261 0.000 0.959 182 R CA -0.109 55.863 56.100 -0.213 0.000 0.834 182 R CB 0.962 31.117 30.300 -0.242 0.000 1.157 182 R HN 0.539 nan 8.270 nan 0.000 0.470 183 c N -0.607 117.808 118.600 -0.309 0.000 3.241 183 c HA 0.566 5.136 4.570 0.001 0.000 0.312 183 c C 0.187 174.017 174.090 -0.435 0.000 1.350 183 c CA -1.063 55.059 56.329 -0.344 0.000 1.415 183 c CB 0.775 43.115 42.510 -0.283 0.000 1.770 183 c HN 1.056 nan 8.230 nan 0.000 0.466 184 W N 1.138 122.306 121.300 -0.220 0.000 3.114 184 W HA 0.520 5.180 4.660 0.001 0.000 0.279 184 W C 1.161 177.539 176.519 -0.236 0.000 1.277 184 W CA 0.767 58.020 57.345 -0.152 0.000 1.630 184 W CB 0.533 29.920 29.460 -0.123 0.000 1.087 184 W HN 1.253 nan 8.180 nan 0.000 0.637 185 G N -0.517 108.071 108.800 -0.354 0.000 2.550 185 G HA2 0.096 4.056 3.960 0.001 0.000 0.293 185 G HA3 0.096 4.056 3.960 0.001 0.000 0.293 185 G C -0.386 174.037 174.900 -0.795 0.000 1.402 185 G CA -0.406 44.352 45.100 -0.571 0.000 0.784 185 G HN -0.022 nan 8.290 nan 0.000 0.482 186 E N -0.102 119.799 120.200 -0.498 0.000 2.150 186 E HA -0.040 4.311 4.350 0.001 0.000 0.193 186 E C 1.507 178.029 176.600 -0.129 0.000 0.985 186 E CA 0.964 57.230 56.400 -0.222 0.000 0.814 186 E CB -0.030 29.695 29.700 0.042 0.000 0.752 186 E HN 0.420 nan 8.360 nan 0.000 0.466 187 S N -0.268 115.366 115.700 -0.109 0.000 2.563 187 S HA -0.073 4.398 4.470 0.001 0.000 0.269 187 S C 1.105 175.665 174.600 -0.067 0.000 1.364 187 S CA 0.399 58.561 58.200 -0.064 0.000 1.010 187 S CB 0.898 64.068 63.200 -0.051 0.000 0.877 187 S HN 0.390 nan 8.310 nan 0.000 0.549 188 S N 1.305 116.980 115.700 -0.042 0.000 2.603 188 S HA 0.161 4.632 4.470 0.001 0.000 0.220 188 S C 0.726 175.306 174.600 -0.034 0.000 0.967 188 S CA 0.169 58.346 58.200 -0.037 0.000 0.920 188 S CB -0.231 62.954 63.200 -0.025 0.000 0.773 188 S HN 0.794 nan 8.310 nan 0.000 0.529 189 E N 0.765 120.945 120.200 -0.033 0.000 2.501 189 E HA 0.130 4.480 4.350 0.001 0.000 0.200 189 E C -0.283 176.310 176.600 -0.012 0.000 1.016 189 E CA -0.068 56.318 56.400 -0.023 0.000 0.921 189 E CB 0.303 29.988 29.700 -0.025 0.000 1.034 189 E HN 0.473 nan 8.360 nan 0.000 0.468 190 D N 0.414 120.803 120.400 -0.017 0.000 2.462 190 D HA 0.070 4.711 4.640 0.001 0.000 0.221 190 D C -0.210 176.118 176.300 0.047 0.000 1.173 190 D CA -0.058 53.965 54.000 0.038 0.000 0.831 190 D CB 0.150 40.942 40.800 -0.014 0.000 1.001 190 D HN 0.104 nan 8.370 nan 0.000 0.499 191 c N 2.013 120.611 118.600 -0.003 0.000 2.648 191 c HA 0.087 4.658 4.570 0.001 0.000 0.415 191 c C 1.121 175.206 174.090 -0.009 0.000 1.366 191 c CA -0.735 55.567 56.329 -0.045 0.000 1.756 191 c CB -0.704 41.779 42.510 -0.046 0.000 2.549 191 c HN 0.334 nan 8.230 nan 0.000 0.597 192 Q N 2.849 122.578 119.800 -0.119 0.000 2.255 192 Q HA 0.101 4.442 4.340 0.001 0.000 0.280 192 Q C 0.131 176.103 176.000 -0.046 0.000 1.068 192 Q CA 0.431 56.175 55.803 -0.099 0.000 0.911 192 Q CB 0.545 29.061 28.738 -0.370 0.000 1.157 192 Q HN 0.827 nan 8.270 nan 0.000 0.380 193 S N 5.045 120.759 115.700 0.023 0.000 2.452 193 S HA 0.390 4.860 4.470 0.001 0.000 0.284 193 S C -0.323 174.270 174.600 -0.011 0.000 1.171 193 S CA -0.753 57.447 58.200 0.001 0.000 1.064 193 S CB 0.246 63.457 63.200 0.018 0.000 0.967 193 S HN 0.623 nan 8.310 nan 0.000 0.484 194 L N 4.518 125.723 121.223 -0.031 0.000 2.350 194 L HA 0.465 4.806 4.340 0.001 0.000 0.275 194 L C 1.264 178.126 176.870 -0.013 0.000 1.099 194 L CA -0.451 54.369 54.840 -0.034 0.000 0.808 194 L CB 1.377 43.407 42.059 -0.048 0.000 1.149 194 L HN 0.873 nan 8.230 nan 0.000 0.442 195 T N -2.419 112.132 114.554 -0.005 0.000 3.192 195 T HA 0.192 4.542 4.350 0.001 0.000 0.295 195 T C 0.833 175.537 174.700 0.007 0.000 0.947 195 T CA -0.438 61.666 62.100 0.007 0.000 0.916 195 T CB 0.398 69.278 68.868 0.020 0.000 1.169 195 T HN 0.649 nan 8.240 nan 0.000 0.540 196 R N 1.214 121.713 120.500 -0.001 0.000 3.199 196 R HA 0.116 4.456 4.340 0.001 0.000 0.158 196 R C 2.258 178.552 176.300 -0.010 0.000 1.302 196 R CA 1.099 57.195 56.100 -0.006 0.000 1.139 196 R CB -0.553 29.745 30.300 -0.003 0.000 1.304 196 R HN 0.268 nan 8.270 nan 0.000 0.483 197 T N -0.257 114.291 114.554 -0.010 0.000 2.969 197 T HA -0.105 4.246 4.350 0.001 0.000 0.271 197 T C 1.256 175.948 174.700 -0.013 0.000 1.127 197 T CA 1.240 63.334 62.100 -0.011 0.000 1.102 197 T CB -0.416 68.443 68.868 -0.015 0.000 0.855 197 T HN 0.209 nan 8.240 nan 0.000 0.536 198 V N -1.917 117.988 119.914 -0.015 0.000 2.940 198 V HA 0.540 4.660 4.120 0.001 0.000 0.366 198 V C 0.170 176.259 176.094 -0.010 0.000 1.353 198 V CA -1.679 60.612 62.300 -0.014 0.000 1.232 198 V CB -1.466 30.346 31.823 -0.018 0.000 1.278 198 V HN 0.452 nan 8.190 nan 0.000 0.546 199 c N 1.448 120.043 118.600 -0.008 0.000 2.365 199 c HA 0.917 5.487 4.570 0.001 0.000 0.349 199 c C 1.306 175.392 174.090 -0.006 0.000 1.191 199 c CA 0.091 56.416 56.329 -0.006 0.000 2.114 199 c CB 1.193 43.699 42.510 -0.006 0.000 2.367 199 c HN 0.827 nan 8.230 nan 0.000 0.530 200 A N 1.878 124.695 122.820 -0.004 0.000 2.251 200 A HA 0.669 4.990 4.320 0.001 0.000 0.278 200 A C 1.246 178.827 177.584 -0.006 0.000 1.206 200 A CA 0.646 52.680 52.037 -0.005 0.000 0.822 200 A CB -0.977 18.021 19.000 -0.003 0.000 1.187 200 A HN 2.173 nan 8.150 nan 0.000 0.504 201 G N -0.565 108.231 108.800 -0.005 0.000 2.698 201 G HA2 0.012 3.973 3.960 0.001 0.000 0.346 201 G HA3 0.012 3.973 3.960 0.001 0.000 0.346 201 G C 0.994 175.890 174.900 -0.007 0.000 1.287 201 G CA 1.209 46.305 45.100 -0.006 0.000 0.990 201 G HN 2.233 nan 8.290 nan 0.000 0.545 202 G N -1.216 107.579 108.800 -0.009 0.000 4.385 202 G HA2 0.473 4.434 3.960 0.001 0.000 0.283 202 G HA3 0.473 4.434 3.960 0.001 0.000 0.283 202 G C 0.581 175.472 174.900 -0.015 0.000 1.020 202 G CA 1.035 46.129 45.100 -0.011 0.000 0.790 202 G HN 1.814 nan 8.290 nan 0.000 0.420 203 c N 0.253 118.845 118.600 -0.013 0.000 2.657 203 c HA 0.667 5.238 4.570 0.001 0.000 0.420 203 c C 2.135 176.213 174.090 -0.019 0.000 1.323 203 c CA 0.136 56.457 56.329 -0.013 0.000 1.894 203 c CB 0.769 43.276 42.510 -0.006 0.000 2.681 203 c HN 0.526 nan 8.230 nan 0.000 0.613 204 A N 3.007 125.813 122.820 -0.024 0.000 1.877 204 A HA 0.061 4.382 4.320 0.001 0.000 0.216 204 A C 1.335 178.903 177.584 -0.026 0.000 1.186 204 A CA 1.331 53.333 52.037 -0.059 0.000 0.620 204 A CB -0.202 18.753 19.000 -0.075 0.000 0.822 204 A HN 0.901 nan 8.150 nan 0.000 0.443 205 R N -1.884 118.626 120.500 0.016 0.000 2.795 205 R HA 0.566 4.907 4.340 0.001 0.000 0.275 205 R C -0.909 175.408 176.300 0.028 0.000 0.981 205 R CA 0.056 56.174 56.100 0.030 0.000 0.917 205 R CB 0.995 31.331 30.300 0.059 0.000 1.202 205 R HN 0.697 nan 8.270 nan 0.000 0.469 206 c N -1.313 117.301 118.600 0.023 0.000 3.285 206 c HA 0.460 5.030 4.570 0.001 0.000 0.325 206 c C 1.001 175.101 174.090 0.018 0.000 1.304 206 c CA -0.963 55.378 56.329 0.020 0.000 1.319 206 c CB 1.994 44.511 42.510 0.011 0.000 1.640 206 c HN 1.011 nan 8.230 nan 0.000 0.477 207 K N 0.691 121.102 120.400 0.017 0.000 2.356 207 K HA 0.474 4.794 4.320 0.001 0.000 0.195 207 K C 0.757 177.361 176.600 0.007 0.000 1.037 207 K CA 1.230 57.525 56.287 0.013 0.000 1.014 207 K CB 0.123 32.632 32.500 0.016 0.000 0.815 207 K HN 1.125 nan 8.250 nan 0.000 0.507 208 G N 0.118 108.921 108.800 0.005 0.000 2.664 208 G HA2 0.189 4.150 3.960 0.001 0.000 0.303 208 G HA3 0.189 4.150 3.960 0.001 0.000 0.303 208 G C -2.636 172.264 174.900 -0.001 0.000 1.243 208 G CA -0.609 44.491 45.100 0.001 0.000 0.826 208 G HN -0.129 nan 8.290 nan 0.000 0.498 209 P HA 0.266 nan 4.420 nan 0.000 0.238 209 P C 1.175 178.474 177.300 -0.002 0.000 1.183 209 P CA 0.467 63.565 63.100 -0.004 0.000 0.813 209 P CB 0.159 31.856 31.700 -0.006 0.000 0.944 210 L N 0.744 121.966 121.223 -0.001 0.000 2.439 210 L HA 0.304 4.644 4.340 0.001 0.000 0.269 210 L C -1.066 175.805 176.870 0.001 0.000 1.179 210 L CA -1.032 53.808 54.840 -0.000 0.000 0.828 210 L CB -1.717 40.343 42.059 0.001 0.000 1.106 210 L HN -0.134 nan 8.230 nan 0.000 0.467 211 P HA -0.132 nan 4.420 nan 0.000 0.219 211 P C 1.676 178.977 177.300 0.002 0.000 1.146 211 P CA 1.798 64.898 63.100 -0.000 0.000 0.808 211 P CB 0.260 31.959 31.700 -0.002 0.000 0.779 212 T N -1.896 112.660 114.554 0.004 0.000 3.023 212 T HA -0.070 4.280 4.350 0.001 0.000 0.266 212 T C 1.279 175.986 174.700 0.011 0.000 1.093 212 T CA 0.989 63.093 62.100 0.007 0.000 1.129 212 T CB -0.737 68.135 68.868 0.006 0.000 0.899 212 T HN -0.021 nan 8.240 nan 0.000 0.491 213 D N 0.629 121.034 120.400 0.009 0.000 2.317 213 D HA 0.072 4.713 4.640 0.001 0.000 0.211 213 D C 0.867 177.177 176.300 0.017 0.000 0.966 213 D CA 0.099 54.107 54.000 0.012 0.000 0.876 213 D CB -0.474 40.331 40.800 0.008 0.000 0.927 213 D HN 0.396 nan 8.370 nan 0.000 0.519 214 c N 1.356 119.965 118.600 0.015 0.000 2.641 214 c HA -0.007 4.563 4.570 0.001 0.000 0.412 214 c C 1.268 175.378 174.090 0.033 0.000 1.312 214 c CA -0.591 55.748 56.329 0.017 0.000 1.838 214 c CB -0.157 42.357 42.510 0.007 0.000 2.682 214 c HN 0.352 nan 8.230 nan 0.000 0.627 215 c N 3.870 122.497 118.600 0.045 0.000 2.382 215 c HA 0.274 4.844 4.570 0.001 0.000 0.363 215 c C 0.746 174.898 174.090 0.104 0.000 1.213 215 c CA -0.489 55.888 56.329 0.080 0.000 2.363 215 c CB 0.085 42.645 42.510 0.082 0.000 2.397 215 c HN 0.869 nan 8.230 nan 0.000 0.573 216 H N 1.309 120.410 119.070 0.053 0.000 2.897 216 H HA -0.026 4.530 4.556 0.001 0.000 0.347 216 H C 1.112 176.486 175.328 0.077 0.000 1.068 216 H CA 1.055 57.142 56.048 0.065 0.000 1.426 216 H CB 0.556 30.376 29.762 0.097 0.000 1.410 216 H HN 0.905 nan 8.280 nan 0.000 0.597 217 E N 2.398 122.489 120.200 -0.182 0.000 2.130 217 E HA -0.226 4.124 4.350 0.001 0.000 0.196 217 E C 1.228 177.953 176.600 0.207 0.000 0.998 217 E CA 1.274 57.673 56.400 -0.002 0.000 0.806 217 E CB 0.226 29.861 29.700 -0.108 0.000 0.738 217 E HN 0.584 nan 8.360 nan 0.000 0.459 218 Q N -0.191 119.891 119.800 0.469 0.000 2.472 218 Q HA 0.024 4.364 4.340 0.001 0.000 0.208 218 Q C 0.201 176.325 176.000 0.206 0.000 0.958 218 Q CA 0.222 56.233 55.803 0.348 0.000 0.932 218 Q CB -0.256 28.685 28.738 0.339 0.000 1.007 218 Q HN 0.312 nan 8.270 nan 0.000 0.508 219 c N 0.469 119.197 118.600 0.213 0.000 2.500 219 c HA 0.718 5.289 4.570 0.001 0.000 0.367 219 c C 0.740 174.882 174.090 0.087 0.000 1.283 219 c CA -0.686 55.715 56.329 0.121 0.000 2.456 219 c CB 0.686 43.274 42.510 0.130 0.000 2.457 219 c HN 0.433 nan 8.230 nan 0.000 0.632 220 A N 0.885 123.734 122.820 0.047 0.000 2.515 220 A HA 0.739 5.060 4.320 0.001 0.000 0.298 220 A C 0.324 177.935 177.584 0.045 0.000 1.059 220 A CA 0.408 52.470 52.037 0.041 0.000 0.698 220 A CB 0.752 19.721 19.000 -0.053 0.000 1.289 220 A HN 2.484 nan 8.150 nan 0.000 0.404 221 A N 0.183 123.047 122.820 0.073 0.000 3.870 221 A HA 0.278 4.598 4.320 0.001 0.000 0.246 221 A C 2.005 179.618 177.584 0.048 0.000 0.669 221 A CA 2.613 54.684 52.037 0.057 0.000 1.221 221 A CB -1.989 17.028 19.000 0.028 0.000 1.199 221 A HN 3.247 nan 8.150 nan 0.000 0.685 222 G N -3.499 105.329 108.800 0.047 0.000 2.343 222 G HA2 0.607 4.568 3.960 0.001 0.000 0.289 222 G HA3 0.607 4.568 3.960 0.001 0.000 0.289 222 G C -0.191 174.734 174.900 0.041 0.000 1.295 222 G CA 0.763 45.887 45.100 0.041 0.000 0.869 222 G HN 2.680 nan 8.290 nan 0.000 0.522 223 c N -2.617 116.004 118.600 0.036 0.000 3.306 223 c HA 0.871 5.441 4.570 0.001 0.000 0.335 223 c C 1.320 175.428 174.090 0.029 0.000 1.382 223 c CA 0.669 57.020 56.329 0.038 0.000 1.254 223 c CB 1.074 43.618 42.510 0.056 0.000 1.555 223 c HN 1.865 nan 8.230 nan 0.000 0.463 224 T N -1.071 113.499 114.554 0.028 0.000 3.056 224 T HA 0.501 4.852 4.350 0.001 0.000 0.241 224 T C 0.817 175.532 174.700 0.024 0.000 1.006 224 T CA 1.036 63.148 62.100 0.021 0.000 1.115 224 T CB -0.278 68.600 68.868 0.016 0.000 0.939 224 T HN 1.681 nan 8.240 nan 0.000 0.462 225 G N 1.467 110.286 108.800 0.032 0.000 2.932 225 G HA2 0.596 4.557 3.960 0.001 0.000 0.283 225 G HA3 0.596 4.557 3.960 0.001 0.000 0.283 225 G C -2.142 172.787 174.900 0.048 0.000 1.336 225 G CA -1.419 43.702 45.100 0.034 0.000 1.056 225 G HN 0.048 nan 8.290 nan 0.000 0.522 226 P HA 0.158 nan 4.420 nan 0.000 0.252 226 P C 0.246 177.606 177.300 0.100 0.000 1.218 226 P CA 0.265 63.404 63.100 0.066 0.000 0.807 226 P CB 0.658 32.385 31.700 0.044 0.000 1.072 227 K N 0.427 120.872 120.400 0.075 0.000 2.168 227 K HA 0.064 4.384 4.320 0.001 0.000 0.258 227 K C 1.405 178.056 176.600 0.086 0.000 1.010 227 K CA -0.248 56.074 56.287 0.059 0.000 0.929 227 K CB 0.115 32.638 32.500 0.038 0.000 0.998 227 K HN 0.300 nan 8.250 nan 0.000 0.479 228 H N -1.003 117.938 119.070 -0.216 0.000 2.562 228 H HA 0.027 4.584 4.556 0.001 0.000 0.274 228 H C 0.421 175.634 175.328 -0.192 0.000 1.038 228 H CA 0.296 56.066 56.048 -0.463 0.000 1.161 228 H CB 0.095 29.210 29.762 -1.077 0.000 1.318 228 H HN 0.458 nan 8.280 nan 0.000 0.617 229 S N -0.661 115.122 115.700 0.138 0.000 2.603 229 S HA 0.036 4.506 4.470 0.001 0.000 0.232 229 S C 0.442 175.063 174.600 0.034 0.000 1.016 229 S CA -0.523 57.706 58.200 0.048 0.000 0.976 229 S CB 0.403 63.653 63.200 0.082 0.000 0.921 229 S HN 0.318 nan 8.310 nan 0.000 0.516 230 D N 1.507 121.936 120.400 0.048 0.000 2.424 230 D HA 0.278 4.918 4.640 0.001 0.000 0.220 230 D C -0.135 176.188 176.300 0.039 0.000 1.150 230 D CA -0.172 53.851 54.000 0.039 0.000 0.831 230 D CB 0.178 41.005 40.800 0.045 0.000 0.981 230 D HN 0.341 nan 8.370 nan 0.000 0.500 231 c N 0.759 119.380 118.600 0.035 0.000 2.652 231 c HA 0.194 4.764 4.570 0.001 0.000 0.412 231 c C 2.294 176.396 174.090 0.020 0.000 1.294 231 c CA -0.515 55.835 56.329 0.035 0.000 2.127 231 c CB 0.554 43.083 42.510 0.030 0.000 2.691 231 c HN 0.321 nan 8.230 nan 0.000 0.615 232 L N 1.618 122.852 121.223 0.020 0.000 2.375 232 L HA 0.210 4.551 4.340 0.001 0.000 0.215 232 L C 1.043 177.913 176.870 0.000 0.000 1.108 232 L CA 0.710 55.555 54.840 0.009 0.000 0.830 232 L CB -0.315 41.750 42.059 0.009 0.000 0.959 232 L HN 0.863 nan 8.230 nan 0.000 0.457 233 A N -1.625 121.195 122.820 -0.000 0.000 2.605 233 A HA 0.476 4.797 4.320 0.001 0.000 0.294 233 A C -1.384 176.187 177.584 -0.021 0.000 1.062 233 A CA -0.612 51.415 52.037 -0.016 0.000 0.682 233 A CB 0.873 19.858 19.000 -0.026 0.000 1.278 233 A HN -0.036 nan 8.150 nan 0.000 0.410 234 c N 1.864 120.440 118.600 -0.039 0.000 2.347 234 c HA 0.376 4.947 4.570 0.001 0.000 0.353 234 c C 2.031 176.042 174.090 -0.131 0.000 1.273 234 c CA -0.122 56.178 56.329 -0.049 0.000 1.861 234 c CB 0.174 42.669 42.510 -0.025 0.000 2.420 234 c HN 0.952 nan 8.230 nan 0.000 0.542 235 L N 3.217 124.348 121.223 -0.152 0.000 2.127 235 L HA -0.125 4.216 4.340 0.001 0.000 0.211 235 L C 1.804 178.272 176.870 -0.671 0.000 1.089 235 L CA 2.205 56.824 54.840 -0.367 0.000 0.757 235 L CB -0.579 41.288 42.059 -0.320 0.000 0.899 235 L HN 0.795 nan 8.230 nan 0.000 0.434 236 H N -3.206 115.707 119.070 -0.260 0.000 2.258 236 H HA 0.308 4.864 4.556 0.001 0.000 0.185 236 H C -0.385 174.396 175.328 -0.912 0.000 0.986 236 H CA 0.064 55.755 56.048 -0.595 0.000 1.166 236 H CB 0.277 29.792 29.762 -0.411 0.000 1.161 236 H HN 0.081 nan 8.280 nan 0.000 0.420 237 F N 1.316 121.353 119.950 0.146 0.000 2.556 237 F HA 0.271 4.798 4.527 0.001 0.000 0.314 237 F C 0.191 176.021 175.800 0.049 0.000 1.106 237 F CA -1.081 56.963 58.000 0.073 0.000 0.911 237 F CB 1.746 40.783 39.000 0.062 0.000 1.190 237 F HN -0.009 nan 8.300 nan 0.000 0.448 238 N N 2.016 120.857 118.700 0.234 0.000 2.420 238 N HA 0.043 4.783 4.740 0.001 0.000 0.249 238 N C -1.069 174.564 175.510 0.206 0.000 1.033 238 N CA -0.106 53.031 53.050 0.145 0.000 0.944 238 N CB 0.315 38.857 38.487 0.091 0.000 1.113 238 N HN 0.766 nan 8.380 nan 0.000 0.502 239 H N 3.096 122.186 119.070 0.034 0.000 2.556 239 H HA 0.147 4.703 4.556 0.001 0.000 0.240 239 H C -0.417 174.905 175.328 -0.009 0.000 1.543 239 H CA -0.296 55.762 56.048 0.017 0.000 1.287 239 H CB -0.124 29.635 29.762 -0.006 0.000 1.529 239 H HN 0.619 nan 8.280 nan 0.000 0.553 240 S N 2.594 118.338 115.700 0.072 0.000 3.631 240 S HA -0.223 4.247 4.470 0.001 0.000 0.366 240 S C 1.299 175.854 174.600 -0.074 0.000 0.993 240 S CA 0.957 59.142 58.200 -0.025 0.000 1.167 240 S CB -1.460 61.687 63.200 -0.089 0.000 0.909 240 S HN 1.200 nan 8.310 nan 0.000 0.478 241 G N -0.160 108.614 108.800 -0.044 0.000 2.307 241 G HA2 -0.227 3.734 3.960 0.001 0.000 0.210 241 G HA3 -0.227 3.734 3.960 0.001 0.000 0.210 241 G C 0.041 174.875 174.900 -0.111 0.000 1.005 241 G CA -0.108 44.954 45.100 -0.063 0.000 0.634 241 G HN 1.493 nan 8.290 nan 0.000 0.496 242 I N -0.837 119.629 120.570 -0.174 0.000 2.474 242 I HA 0.738 4.908 4.170 0.001 0.000 0.294 242 I C 0.143 176.123 176.117 -0.229 0.000 1.005 242 I CA -1.357 59.728 61.300 -0.359 0.000 1.113 242 I CB 1.884 39.471 38.000 -0.689 0.000 1.289 242 I HN 0.039 nan 8.210 nan 0.000 0.436 243 c N 4.969 123.425 118.600 -0.240 0.000 2.514 243 c HA 0.511 5.082 4.570 0.001 0.000 0.392 243 c C 0.376 174.444 174.090 -0.036 0.000 1.294 243 c CA 0.075 56.365 56.329 -0.065 0.000 1.957 243 c CB -0.455 42.044 42.510 -0.019 0.000 2.541 243 c HN 0.811 nan 8.230 nan 0.000 0.569 244 E N 0.480 120.730 120.200 0.084 0.000 2.416 244 E HA 0.272 4.623 4.350 0.001 0.000 0.273 244 E C 0.179 176.866 176.600 0.145 0.000 0.935 244 E CA -0.829 55.625 56.400 0.089 0.000 0.784 244 E CB 1.352 31.075 29.700 0.037 0.000 1.301 244 E HN 0.443 nan 8.360 nan 0.000 0.454 245 L N 1.473 122.705 121.223 0.014 0.000 2.156 245 L HA 0.005 4.346 4.340 0.001 0.000 0.208 245 L C 0.243 177.175 176.870 0.104 0.000 1.095 245 L CA 1.964 56.747 54.840 -0.095 0.000 0.770 245 L CB -0.325 41.637 42.059 -0.162 0.000 0.914 245 L HN 0.630 nan 8.230 nan 0.000 0.439 246 H N -4.940 114.244 119.070 0.190 0.000 2.990 246 H HA 0.521 5.078 4.556 0.001 0.000 0.336 246 H C -0.598 174.677 175.328 -0.088 0.000 1.306 246 H CA -1.513 54.612 56.048 0.130 0.000 1.118 246 H CB 0.085 29.859 29.762 0.020 0.000 1.856 246 H HN -0.100 nan 8.280 nan 0.000 0.538 247 c N 1.139 119.671 118.600 -0.114 0.000 2.396 247 c HA 0.487 5.058 4.570 0.001 0.000 0.359 247 c C -2.061 171.979 174.090 -0.083 0.000 1.307 247 c CA -0.862 55.309 56.329 -0.262 0.000 2.392 247 c CB 0.244 42.493 42.510 -0.435 0.000 2.245 247 c HN 0.686 nan 8.230 nan 0.000 0.615 248 P HA 0.321 nan 4.420 nan 0.000 0.282 248 P C -0.520 176.691 177.300 -0.148 0.000 1.262 248 P CA 0.302 63.337 63.100 -0.110 0.000 0.773 248 P CB 0.365 32.000 31.700 -0.109 0.000 0.879 249 A N 3.518 126.254 122.820 -0.140 0.000 2.536 249 A HA 0.006 4.326 4.320 0.001 0.000 0.234 249 A C 1.334 178.794 177.584 -0.206 0.000 1.076 249 A CA 0.196 52.122 52.037 -0.184 0.000 0.769 249 A CB -0.372 18.528 19.000 -0.167 0.000 1.020 249 A HN 0.647 nan 8.150 nan 0.000 0.508 250 L N 0.568 121.641 121.223 -0.249 0.000 2.395 250 L HA 0.050 4.391 4.340 0.001 0.000 0.218 250 L C 0.458 177.198 176.870 -0.216 0.000 1.130 250 L CA 0.593 55.278 54.840 -0.258 0.000 0.826 250 L CB -0.555 41.306 42.059 -0.331 0.000 0.941 250 L HN 0.668 nan 8.230 nan 0.000 0.451 251 V N -4.695 115.063 119.914 -0.259 0.000 2.876 251 V HA 0.590 4.710 4.120 0.001 0.000 0.312 251 V C -0.366 175.451 176.094 -0.461 0.000 1.085 251 V CA -0.493 61.604 62.300 -0.338 0.000 0.945 251 V CB 1.783 33.366 31.823 -0.399 0.000 1.017 251 V HN -0.112 nan 8.190 nan 0.000 0.428 252 T N 3.420 117.727 114.554 -0.412 0.000 2.855 252 T HA 0.674 5.025 4.350 0.001 0.000 0.281 252 T C -0.971 173.465 174.700 -0.440 0.000 1.007 252 T CA -0.062 61.824 62.100 -0.357 0.000 1.009 252 T CB 1.131 69.892 68.868 -0.178 0.000 0.983 252 T HN 0.644 nan 8.240 nan 0.000 0.455 253 Y N 1.588 121.834 120.300 -0.090 0.000 2.419 253 Y HA 0.337 4.888 4.550 0.001 0.000 0.328 253 Y C 1.123 176.856 175.900 -0.279 0.000 1.162 253 Y CA -0.994 57.018 58.100 -0.147 0.000 1.174 253 Y CB 0.956 39.353 38.460 -0.105 0.000 1.228 253 Y HN 0.521 nan 8.280 nan 0.000 0.473 254 N N 0.969 119.596 118.700 -0.121 0.000 2.470 254 N HA -0.029 4.711 4.740 0.001 0.000 0.268 254 N C 0.579 175.776 175.510 -0.521 0.000 1.136 254 N CA 0.267 53.187 53.050 -0.217 0.000 0.961 254 N CB 1.290 39.719 38.487 -0.096 0.000 1.067 254 N HN 0.792 nan 8.380 nan 0.000 0.468 255 T N 2.584 116.911 114.554 -0.379 0.000 2.721 255 T HA -0.151 4.200 4.350 0.001 0.000 0.268 255 T C 0.663 175.209 174.700 -0.257 0.000 1.038 255 T CA 1.445 63.318 62.100 -0.378 0.000 1.145 255 T CB 0.051 68.833 68.868 -0.144 0.000 0.858 255 T HN 0.627 nan 8.240 nan 0.000 0.459 256 D N -0.384 119.951 120.400 -0.109 0.000 2.431 256 D HA 0.057 4.697 4.640 0.001 0.000 0.235 256 D C 2.136 178.536 176.300 0.166 0.000 0.980 256 D CA 0.900 54.941 54.000 0.069 0.000 0.912 256 D CB -0.097 40.727 40.800 0.041 0.000 1.056 256 D HN 0.353 nan 8.370 nan 0.000 0.494 257 T N -0.046 114.557 114.554 0.082 0.000 2.976 257 T HA 0.015 4.365 4.350 0.001 0.000 0.257 257 T C 0.529 175.388 174.700 0.264 0.000 1.051 257 T CA -0.063 62.120 62.100 0.139 0.000 1.141 257 T CB 0.109 69.019 68.868 0.070 0.000 0.881 257 T HN 0.040 nan 8.240 nan 0.000 0.461 258 F N 1.684 121.661 119.950 0.045 0.000 2.985 258 F HA -0.151 4.377 4.527 0.001 0.000 0.303 258 F C 0.246 176.109 175.800 0.104 0.000 0.976 258 F CA 0.058 58.089 58.000 0.052 0.000 1.013 258 F CB -1.818 37.143 39.000 -0.065 0.000 1.060 258 F HN 0.212 nan 8.300 nan 0.000 0.780 259 E N -0.228 120.089 120.200 0.196 0.000 2.171 259 E HA 0.482 4.832 4.350 0.001 0.000 0.271 259 E C 0.061 176.768 176.600 0.178 0.000 0.916 259 E CA -0.760 55.748 56.400 0.181 0.000 0.774 259 E CB 1.550 31.308 29.700 0.097 0.000 1.128 259 E HN 0.131 nan 8.360 nan 0.000 0.403 260 S N 2.660 118.473 115.700 0.189 0.000 2.558 260 S HA 0.096 4.566 4.470 0.001 0.000 0.287 260 S C -0.103 174.476 174.600 -0.034 0.000 1.321 260 S CA 0.330 58.551 58.200 0.035 0.000 1.048 260 S CB 0.243 63.465 63.200 0.037 0.000 0.844 260 S HN 0.371 nan 8.310 nan 0.000 0.512 261 M N 3.724 123.255 119.600 -0.115 0.000 2.284 261 M HA 0.322 4.802 4.480 0.001 0.000 0.281 261 M C -2.678 173.552 176.300 -0.117 0.000 1.083 261 M CA -2.447 52.799 55.300 -0.089 0.000 0.965 261 M CB 1.977 34.529 32.600 -0.079 0.000 1.717 261 M HN 0.320 nan 8.290 nan 0.000 0.479 262 P HA -0.004 nan 4.420 nan 0.000 0.266 262 P C -0.630 176.618 177.300 -0.087 0.000 1.193 262 P CA 0.121 63.172 63.100 -0.081 0.000 0.770 262 P CB 0.658 32.331 31.700 -0.046 0.000 0.836 263 N N 3.532 122.174 118.700 -0.097 0.000 2.476 263 N HA 0.163 4.903 4.740 0.001 0.000 0.257 263 N C -1.343 174.135 175.510 -0.052 0.000 0.970 263 N CA -2.490 50.509 53.050 -0.084 0.000 0.938 263 N CB 1.028 39.449 38.487 -0.110 0.000 1.144 263 N HN 0.208 nan 8.380 nan 0.000 0.500 264 P HA -0.096 nan 4.420 nan 0.000 0.219 264 P C 0.179 177.480 177.300 0.003 0.000 1.146 264 P CA 1.202 64.296 63.100 -0.010 0.000 0.808 264 P CB 0.609 32.306 31.700 -0.006 0.000 0.779 265 E N -0.112 120.088 120.200 0.001 0.000 2.463 265 E HA 0.154 4.504 4.350 0.001 0.000 0.193 265 E C 1.206 177.809 176.600 0.004 0.000 1.041 265 E CA -0.055 56.363 56.400 0.030 0.000 0.879 265 E CB -0.069 29.660 29.700 0.048 0.000 0.997 265 E HN 0.206 nan 8.360 nan 0.000 0.478 266 G N 1.613 110.386 108.800 -0.045 0.000 2.441 266 G HA2 0.240 4.201 3.960 0.001 0.000 0.243 266 G HA3 0.240 4.201 3.960 0.001 0.000 0.243 266 G C 0.107 174.947 174.900 -0.098 0.000 1.281 266 G CA -0.272 44.763 45.100 -0.109 0.000 0.854 266 G HN -0.094 nan 8.290 nan 0.000 0.560 267 R N 0.560 120.965 120.500 -0.158 0.000 2.740 267 R HA 0.289 4.630 4.340 0.001 0.000 0.273 267 R C -1.356 174.847 176.300 -0.162 0.000 0.998 267 R CA -0.980 55.072 56.100 -0.080 0.000 0.900 267 R CB 1.167 31.443 30.300 -0.040 0.000 1.223 267 R HN 0.553 nan 8.270 nan 0.000 0.466 268 Y N 0.078 120.343 120.300 -0.058 0.000 2.374 268 Y HA 0.312 4.863 4.550 0.001 0.000 0.322 268 Y C 1.326 177.187 175.900 -0.066 0.000 1.275 268 Y CA -0.316 57.752 58.100 -0.054 0.000 1.307 268 Y CB 0.830 39.279 38.460 -0.019 0.000 1.282 268 Y HN 0.504 nan 8.280 nan 0.000 0.509 269 T N -0.304 114.309 114.554 0.099 0.000 2.799 269 T HA 0.525 4.875 4.350 0.001 0.000 0.286 269 T C -1.158 173.692 174.700 0.250 0.000 0.973 269 T CA -0.486 61.629 62.100 0.025 0.000 1.035 269 T CB 0.446 69.260 68.868 -0.091 0.000 0.932 269 T HN 0.439 nan 8.240 nan 0.000 0.469 270 F N 2.805 122.803 119.950 0.079 0.000 2.941 270 F HA 0.564 5.091 4.527 0.001 0.000 0.359 270 F C 0.611 176.468 175.800 0.095 0.000 1.231 270 F CA 0.072 58.095 58.000 0.039 0.000 1.089 270 F CB 0.663 39.624 39.000 -0.066 0.000 1.407 270 F HN 1.221 nan 8.300 nan 0.000 0.538 271 G N 3.859 112.527 108.800 -0.220 0.000 2.556 271 G HA2 -0.074 3.886 3.960 0.001 0.000 0.283 271 G HA3 -0.074 3.886 3.960 0.001 0.000 0.283 271 G C 0.371 175.286 174.900 0.025 0.000 1.177 271 G CA 0.213 45.162 45.100 -0.252 0.000 0.978 271 G HN 1.760 nan 8.290 nan 0.000 0.554 272 A N 0.298 123.098 122.820 -0.034 0.000 2.833 272 A HA 0.718 5.038 4.320 0.001 0.000 0.293 272 A C 0.747 178.462 177.584 0.219 0.000 1.338 272 A CA 1.457 53.504 52.037 0.016 0.000 0.959 272 A CB -0.794 18.134 19.000 -0.121 0.000 1.094 272 A HN 2.286 nan 8.150 nan 0.000 0.569 273 S N -1.812 114.090 115.700 0.337 0.000 2.579 273 S HA 0.558 5.029 4.470 0.001 0.000 0.272 273 S C -0.752 173.990 174.600 0.237 0.000 1.141 273 S CA -0.724 57.651 58.200 0.291 0.000 0.843 273 S CB 1.064 64.368 63.200 0.174 0.000 1.122 273 S HN 0.333 nan 8.310 nan 0.000 0.468 274 c N 2.813 121.508 118.600 0.158 0.000 2.255 274 c HA 0.810 5.380 4.570 0.001 0.000 0.326 274 c C 0.503 174.669 174.090 0.127 0.000 1.258 274 c CA -0.571 55.789 56.329 0.051 0.000 1.676 274 c CB -0.486 41.983 42.510 -0.069 0.000 2.314 274 c HN 0.843 nan 8.230 nan 0.000 0.509 275 V N 1.793 121.790 119.914 0.138 0.000 2.864 275 V HA 0.713 4.834 4.120 0.001 0.000 0.314 275 V C 0.799 176.984 176.094 0.153 0.000 1.073 275 V CA -0.115 62.266 62.300 0.136 0.000 0.956 275 V CB 1.427 33.317 31.823 0.112 0.000 1.023 275 V HN 0.862 nan 8.190 nan 0.000 0.435 276 T N -0.407 114.219 114.554 0.120 0.000 2.951 276 T HA 0.420 4.770 4.350 0.001 0.000 0.268 276 T C 0.687 175.476 174.700 0.148 0.000 1.073 276 T CA 0.893 63.076 62.100 0.138 0.000 1.134 276 T CB -0.076 68.844 68.868 0.086 0.000 0.884 276 T HN 1.864 nan 8.240 nan 0.000 0.479 277 A N -0.345 122.488 122.820 0.020 0.000 2.520 277 A HA 0.608 4.929 4.320 0.001 0.000 0.298 277 A C -0.231 177.200 177.584 -0.255 0.000 1.051 277 A CA -0.949 51.004 52.037 -0.141 0.000 0.690 277 A CB 0.999 19.946 19.000 -0.088 0.000 1.281 277 A HN 0.438 nan 8.150 nan 0.000 0.402 278 c N 3.727 122.068 118.600 -0.430 0.000 2.662 278 c HA 0.467 5.038 4.570 0.001 0.000 0.420 278 c C -1.232 172.636 174.090 -0.370 0.000 1.314 278 c CA -0.262 55.801 56.329 -0.444 0.000 1.963 278 c CB -0.344 41.929 42.510 -0.394 0.000 2.686 278 c HN 0.740 nan 8.230 nan 0.000 0.609 279 P HA 0.033 nan 4.420 nan 0.000 0.274 279 P C -0.742 176.520 177.300 -0.064 0.000 1.256 279 P CA -0.328 62.578 63.100 -0.323 0.000 0.795 279 P CB 0.338 31.714 31.700 -0.541 0.000 1.038 280 Y N 1.714 121.991 120.300 -0.038 0.000 2.811 280 Y HA -0.149 4.402 4.550 0.001 0.000 0.334 280 Y C 1.548 177.525 175.900 0.129 0.000 1.247 280 Y CA 1.928 60.050 58.100 0.037 0.000 1.526 280 Y CB -0.359 38.125 38.460 0.040 0.000 1.284 280 Y HN 0.607 nan 8.280 nan 0.000 0.586 281 N N 1.612 119.906 118.700 -0.676 0.000 2.965 281 N HA -0.292 4.448 4.740 0.001 0.000 0.232 281 N C -1.371 174.008 175.510 -0.217 0.000 0.913 281 N CA 1.369 54.142 53.050 -0.461 0.000 0.981 281 N CB -1.644 36.694 38.487 -0.247 0.000 1.077 281 N HN 0.623 nan 8.380 nan 0.000 0.589 282 Y N 0.353 120.528 120.300 -0.208 0.000 2.432 282 Y HA 0.605 5.155 4.550 0.001 0.000 0.322 282 Y C 0.773 176.599 175.900 -0.124 0.000 1.246 282 Y CA -0.406 57.617 58.100 -0.128 0.000 1.268 282 Y CB 0.842 39.210 38.460 -0.153 0.000 1.276 282 Y HN -0.033 nan 8.280 nan 0.000 0.499 283 L N 1.490 122.762 121.223 0.081 0.000 2.307 283 L HA 0.420 4.761 4.340 0.001 0.000 0.284 283 L C -0.250 176.648 176.870 0.046 0.000 1.023 283 L CA -0.501 54.363 54.840 0.039 0.000 0.810 283 L CB 1.369 43.457 42.059 0.048 0.000 1.231 283 L HN 0.530 nan 8.230 nan 0.000 0.423 284 S N 1.070 116.762 115.700 -0.013 0.000 2.537 284 S HA 0.503 4.973 4.470 0.001 0.000 0.275 284 S C 0.225 174.893 174.600 0.114 0.000 1.272 284 S CA -0.674 57.508 58.200 -0.029 0.000 1.050 284 S CB 1.334 64.427 63.200 -0.179 0.000 0.961 284 S HN 0.739 nan 8.310 nan 0.000 0.496 285 T N -0.728 113.954 114.554 0.214 0.000 2.927 285 T HA 0.399 4.750 4.350 0.001 0.000 0.286 285 T C 0.453 175.251 174.700 0.164 0.000 1.040 285 T CA -0.845 61.357 62.100 0.169 0.000 1.010 285 T CB 0.878 69.831 68.868 0.142 0.000 1.177 285 T HN 0.362 nan 8.240 nan 0.000 0.546 286 D N 0.294 120.756 120.400 0.102 0.000 2.097 286 D HA -0.067 4.574 4.640 0.001 0.000 0.195 286 D C 1.795 178.118 176.300 0.038 0.000 0.989 286 D CA 1.182 55.222 54.000 0.068 0.000 0.827 286 D CB -0.140 40.693 40.800 0.056 0.000 0.966 286 D HN 0.399 nan 8.370 nan 0.000 0.456 287 V N 0.659 120.600 119.914 0.045 0.000 3.570 287 V HA 0.169 4.290 4.120 0.001 0.000 0.293 287 V C 1.318 177.402 176.094 -0.016 0.000 1.237 287 V CA 0.446 62.755 62.300 0.016 0.000 1.226 287 V CB -0.838 31.005 31.823 0.033 0.000 1.028 287 V HN 0.300 nan 8.190 nan 0.000 0.430 288 G N 1.641 110.419 108.800 -0.037 0.000 2.338 288 G HA2 -0.228 3.733 3.960 0.001 0.000 0.296 288 G HA3 -0.228 3.733 3.960 0.001 0.000 0.296 288 G C 0.145 175.096 174.900 0.084 0.000 1.040 288 G CA 0.589 45.592 45.100 -0.162 0.000 1.004 288 G HN 1.009 nan 8.290 nan 0.000 0.509 289 S N -1.992 113.867 115.700 0.264 0.000 2.667 289 S HA 0.761 5.232 4.470 0.001 0.000 0.292 289 S C -0.259 174.506 174.600 0.275 0.000 1.126 289 S CA -0.586 57.763 58.200 0.249 0.000 0.881 289 S CB 2.518 65.821 63.200 0.171 0.000 1.132 289 S HN 0.835 nan 8.310 nan 0.000 0.492 290 c N 1.745 120.495 118.600 0.250 0.000 2.271 290 c HA 0.873 5.444 4.570 0.001 0.000 0.323 290 c C 0.456 174.777 174.090 0.385 0.000 1.245 290 c CA -0.336 56.128 56.329 0.225 0.000 1.548 290 c CB -0.169 42.385 42.510 0.074 0.000 2.214 290 c HN 0.972 nan 8.230 nan 0.000 0.477 291 T N 1.898 116.651 114.554 0.332 0.000 2.883 291 T HA 0.560 4.911 4.350 0.001 0.000 0.296 291 T C 0.540 175.328 174.700 0.146 0.000 1.117 291 T CA -0.548 61.724 62.100 0.287 0.000 1.006 291 T CB 1.013 69.994 68.868 0.187 0.000 1.191 291 T HN 0.529 nan 8.240 nan 0.000 0.508 292 L N 1.632 122.881 121.223 0.042 0.000 2.529 292 L HA 0.393 4.733 4.340 0.001 0.000 0.223 292 L C -0.252 176.629 176.870 0.017 0.000 1.113 292 L CA 0.029 54.823 54.840 -0.077 0.000 0.861 292 L CB 0.482 42.462 42.059 -0.131 0.000 1.012 292 L HN 0.268 nan 8.230 nan 0.000 0.461 293 V N -1.565 118.388 119.914 0.066 0.000 2.686 293 V HA 0.283 4.403 4.120 0.001 0.000 0.306 293 V C 0.091 176.240 176.094 0.092 0.000 1.065 293 V CA -1.107 61.246 62.300 0.089 0.000 0.894 293 V CB 1.845 33.721 31.823 0.088 0.000 1.004 293 V HN 0.049 nan 8.190 nan 0.000 0.424 294 c N 4.406 123.063 118.600 0.095 0.000 2.633 294 c HA 0.389 4.960 4.570 0.001 0.000 0.345 294 c C -1.583 172.549 174.090 0.070 0.000 1.384 294 c CA -0.246 56.132 56.329 0.082 0.000 2.418 294 c CB -0.253 42.302 42.510 0.075 0.000 2.425 294 c HN 0.727 nan 8.230 nan 0.000 0.705 295 P HA 0.235 nan 4.420 nan 0.000 0.274 295 P C 0.853 178.176 177.300 0.038 0.000 1.246 295 P CA -0.330 62.800 63.100 0.051 0.000 0.795 295 P CB 0.266 31.996 31.700 0.050 0.000 1.006 296 L N 0.657 121.899 121.223 0.030 0.000 2.306 296 L HA -0.401 3.939 4.340 0.001 0.000 0.249 296 L C 2.303 179.184 176.870 0.019 0.000 1.112 296 L CA 2.602 57.454 54.840 0.020 0.000 0.829 296 L CB -1.676 40.393 42.059 0.016 0.000 0.975 296 L HN 0.661 nan 8.230 nan 0.000 0.429 297 H N -1.360 117.721 119.070 0.018 0.000 2.520 297 H HA 0.262 4.818 4.556 0.001 0.000 0.284 297 H C 0.565 175.903 175.328 0.016 0.000 1.037 297 H CA 0.358 56.416 56.048 0.016 0.000 1.168 297 H CB -0.783 28.986 29.762 0.012 0.000 1.497 297 H HN 0.365 nan 8.280 nan 0.000 0.547 298 N N 1.232 119.946 118.700 0.023 0.000 2.529 298 N HA 0.384 5.125 4.740 0.001 0.000 0.278 298 N C -0.379 175.143 175.510 0.019 0.000 1.146 298 N CA -0.271 52.794 53.050 0.026 0.000 0.980 298 N CB 1.547 40.057 38.487 0.038 0.000 1.124 298 N HN 0.803 nan 8.380 nan 0.000 0.458 299 Q N 0.190 119.999 119.800 0.014 0.000 2.451 299 Q HA 0.329 4.669 4.340 0.001 0.000 0.281 299 Q C -0.835 175.189 176.000 0.040 0.000 1.099 299 Q CA -0.785 55.017 55.803 -0.001 0.000 0.806 299 Q CB 2.103 30.810 28.738 -0.052 0.000 1.419 299 Q HN 0.626 nan 8.270 nan 0.000 0.427 300 E N 0.735 120.982 120.200 0.078 0.000 2.442 300 E HA 0.143 4.493 4.350 0.001 0.000 0.262 300 E C -0.881 175.777 176.600 0.096 0.000 1.004 300 E CA 0.202 56.673 56.400 0.118 0.000 0.928 300 E CB 0.704 30.534 29.700 0.217 0.000 0.937 300 E HN 0.131 nan 8.360 nan 0.000 0.446 301 V N 3.330 123.287 119.914 0.071 0.000 2.462 301 V HA 0.101 4.222 4.120 0.001 0.000 0.288 301 V C -0.318 175.802 176.094 0.043 0.000 1.020 301 V CA -0.845 61.488 62.300 0.056 0.000 0.857 301 V CB 1.736 33.586 31.823 0.045 0.000 1.013 301 V HN 0.662 nan 8.190 nan 0.000 0.431 302 T N 4.896 119.474 114.554 0.040 0.000 2.752 302 T HA 0.541 4.891 4.350 0.001 0.000 0.295 302 T C 0.535 175.248 174.700 0.023 0.000 0.923 302 T CA 0.167 62.282 62.100 0.025 0.000 1.112 302 T CB 1.040 69.920 68.868 0.020 0.000 0.884 302 T HN 0.881 nan 8.240 nan 0.000 0.525 303 A N 3.225 126.057 122.820 0.019 0.000 2.286 303 A HA 0.405 4.726 4.320 0.001 0.000 0.286 303 A C 1.336 178.932 177.584 0.020 0.000 1.097 303 A CA -0.706 51.343 52.037 0.020 0.000 0.821 303 A CB 0.382 19.394 19.000 0.019 0.000 1.076 303 A HN 0.906 nan 8.150 nan 0.000 0.490 304 E N 0.660 120.872 120.200 0.020 0.000 2.068 304 E HA -0.311 4.040 4.350 0.001 0.000 0.207 304 E C 1.219 177.834 176.600 0.025 0.000 1.032 304 E CA 1.901 58.313 56.400 0.021 0.000 0.839 304 E CB -0.293 29.419 29.700 0.019 0.000 0.758 304 E HN 0.883 nan 8.360 nan 0.000 0.457 305 D N -0.887 119.529 120.400 0.027 0.000 2.311 305 D HA -0.132 4.508 4.640 0.001 0.000 0.212 305 D C 1.442 177.770 176.300 0.047 0.000 0.972 305 D CA 1.437 55.459 54.000 0.035 0.000 0.887 305 D CB -0.184 40.636 40.800 0.033 0.000 0.915 305 D HN 0.438 nan 8.370 nan 0.000 0.497 306 G N -1.146 107.673 108.800 0.033 0.000 2.316 306 G HA2 -0.225 3.735 3.960 0.001 0.000 0.203 306 G HA3 -0.225 3.735 3.960 0.001 0.000 0.203 306 G C 0.421 175.318 174.900 -0.005 0.000 0.999 306 G CA 0.094 45.209 45.100 0.026 0.000 0.649 306 G HN 0.394 nan 8.290 nan 0.000 0.489 307 T N 3.007 117.560 114.554 -0.000 0.000 2.734 307 T HA 0.336 4.686 4.350 0.001 0.000 0.269 307 T C 0.393 175.083 174.700 -0.017 0.000 0.964 307 T CA 0.702 62.789 62.100 -0.022 0.000 1.226 307 T CB 0.353 69.212 68.868 -0.015 0.000 0.910 307 T HN 0.445 nan 8.240 nan 0.000 0.534 308 Q N 3.277 123.060 119.800 -0.030 0.000 2.322 308 Q HA 0.288 4.628 4.340 0.001 0.000 0.256 308 Q C -0.039 175.964 176.000 0.005 0.000 0.960 308 Q CA -0.434 55.365 55.803 -0.006 0.000 0.934 308 Q CB 1.069 29.802 28.738 -0.009 0.000 1.200 308 Q HN 0.480 nan 8.270 nan 0.000 0.435 309 K N 0.750 121.165 120.400 0.025 0.000 2.210 309 K HA 0.511 4.831 4.320 0.001 0.000 0.236 309 K C -0.851 175.782 176.600 0.055 0.000 1.016 309 K CA -0.514 55.797 56.287 0.040 0.000 0.913 309 K CB 1.102 33.631 32.500 0.048 0.000 1.141 309 K HN 0.474 nan 8.250 nan 0.000 0.462 310 c N 1.282 119.921 118.600 0.066 0.000 2.301 310 c HA 0.396 4.967 4.570 0.001 0.000 0.323 310 c C -0.288 173.838 174.090 0.060 0.000 1.265 310 c CA -0.657 55.712 56.329 0.066 0.000 1.503 310 c CB -0.172 42.382 42.510 0.074 0.000 2.195 310 c HN 0.682 nan 8.230 nan 0.000 0.477 311 E N 0.925 121.155 120.200 0.050 0.000 2.232 311 E HA 0.555 4.905 4.350 0.001 0.000 0.264 311 E C -0.118 176.504 176.600 0.036 0.000 0.973 311 E CA -0.539 55.887 56.400 0.043 0.000 0.849 311 E CB 0.915 30.638 29.700 0.039 0.000 1.198 311 E HN 0.617 nan 8.360 nan 0.000 0.407 312 K N 0.485 120.905 120.400 0.033 0.000 2.402 312 K HA 0.082 4.402 4.320 0.001 0.000 0.285 312 K C -0.033 176.579 176.600 0.021 0.000 1.054 312 K CA -0.047 56.256 56.287 0.027 0.000 1.001 312 K CB -0.077 32.439 32.500 0.027 0.000 0.946 312 K HN 0.546 nan 8.250 nan 0.000 0.473 313 c N 3.145 121.755 118.600 0.016 0.000 2.859 313 c HA 0.518 5.088 4.570 0.001 0.000 0.256 313 c C 2.386 176.482 174.090 0.009 0.000 1.660 313 c CA 0.177 56.512 56.329 0.010 0.000 1.755 313 c CB -1.206 41.305 42.510 0.002 0.000 3.127 313 c HN 1.027 nan 8.230 nan 0.000 0.494 314 S N 1.862 117.569 115.700 0.011 0.000 2.378 314 S HA -0.198 4.272 4.470 0.001 0.000 0.221 314 S C 2.050 176.654 174.600 0.007 0.000 1.037 314 S CA 1.635 59.841 58.200 0.010 0.000 1.069 314 S CB -0.104 63.102 63.200 0.010 0.000 1.006 314 S HN 0.552 nan 8.310 nan 0.000 0.423 315 K N 0.580 120.984 120.400 0.006 0.000 2.057 315 K HA 0.141 4.462 4.320 0.001 0.000 0.209 315 K C -1.683 174.919 176.600 0.004 0.000 1.028 315 K CA 0.279 56.569 56.287 0.004 0.000 0.950 315 K CB -1.903 30.600 32.500 0.004 0.000 0.784 315 K HN 0.270 nan 8.250 nan 0.000 0.448 316 P HA 0.117 nan 4.420 nan 0.000 0.271 316 P C -0.935 176.367 177.300 0.003 0.000 1.380 316 P CA -0.047 63.056 63.100 0.004 0.000 0.992 316 P CB 0.138 31.842 31.700 0.006 0.000 1.230 317 c N 4.087 122.688 118.600 0.001 0.000 2.522 317 c HA 0.682 5.253 4.570 0.001 0.000 0.344 317 c C 0.370 174.455 174.090 -0.008 0.000 1.104 317 c CA -0.471 55.856 56.329 -0.004 0.000 1.317 317 c CB -0.127 42.381 42.510 -0.004 0.000 1.896 317 c HN 0.665 nan 8.230 nan 0.000 0.443 318 A N 5.246 128.059 122.820 -0.011 0.000 2.520 318 A HA 0.521 4.841 4.320 0.001 0.000 0.245 318 A C 0.387 177.954 177.584 -0.030 0.000 1.072 318 A CA -0.002 52.028 52.037 -0.012 0.000 0.761 318 A CB 0.291 19.289 19.000 -0.004 0.000 1.004 318 A HN 1.027 nan 8.150 nan 0.000 0.499 319 R N 1.206 121.695 120.500 -0.019 0.000 2.679 319 R HA 0.395 4.736 4.340 0.001 0.000 0.268 319 R C -0.091 176.170 176.300 -0.064 0.000 1.044 319 R CA 0.321 56.405 56.100 -0.026 0.000 1.105 319 R CB -0.202 30.099 30.300 0.002 0.000 0.989 319 R HN 0.935 nan 8.270 nan 0.000 0.447 320 V N -1.590 118.230 119.914 -0.158 0.000 3.126 320 V HA 0.581 4.702 4.120 0.001 0.000 0.314 320 V C -0.538 175.447 176.094 -0.183 0.000 1.138 320 V CA -1.332 60.839 62.300 -0.216 0.000 1.034 320 V CB 1.966 33.419 31.823 -0.618 0.000 1.075 320 V HN 0.915 nan 8.190 nan 0.000 0.442 321 c N 2.196 120.809 118.600 0.022 0.000 2.281 321 c HA 0.606 5.177 4.570 0.001 0.000 0.336 321 c C -0.171 174.013 174.090 0.157 0.000 1.217 321 c CA -0.377 56.038 56.329 0.142 0.000 1.730 321 c CB -1.806 40.869 42.510 0.275 0.000 2.338 321 c HN 0.773 nan 8.230 nan 0.000 0.521 322 Y N 1.391 121.868 120.300 0.295 0.000 2.310 322 Y HA 0.552 5.103 4.550 0.001 0.000 0.326 322 Y C 1.089 177.156 175.900 0.278 0.000 1.151 322 Y CA 0.384 58.636 58.100 0.253 0.000 1.195 322 Y CB 1.088 39.630 38.460 0.136 0.000 1.210 322 Y HN 0.817 nan 8.280 nan 0.000 0.483 323 G N 1.787 110.816 108.800 0.381 0.000 2.753 323 G HA2 0.529 4.490 3.960 0.001 0.000 0.285 323 G HA3 0.529 4.490 3.960 0.001 0.000 0.285 323 G C -0.973 174.003 174.900 0.127 0.000 1.344 323 G CA -1.143 44.128 45.100 0.286 0.000 1.050 323 G HN 0.569 nan 8.290 nan 0.000 0.532 324 L N 0.513 121.757 121.223 0.036 0.000 2.525 324 L HA 0.292 4.633 4.340 0.001 0.000 0.278 324 L C 1.670 178.520 176.870 -0.033 0.000 1.218 324 L CA 1.349 56.173 54.840 -0.026 0.000 0.878 324 L CB 0.343 42.353 42.059 -0.082 0.000 1.127 324 L HN 1.087 nan 8.230 nan 0.000 0.492 325 G N 2.408 111.198 108.800 -0.015 0.000 2.195 325 G HA2 -0.214 3.747 3.960 0.001 0.000 0.246 325 G HA3 -0.214 3.747 3.960 0.001 0.000 0.246 325 G C 0.057 174.963 174.900 0.010 0.000 0.984 325 G CA -0.297 44.807 45.100 0.008 0.000 0.633 325 G HN 0.394 nan 8.290 nan 0.000 0.525 326 M N -0.015 119.588 119.600 0.005 0.000 2.598 326 M HA 0.528 5.009 4.480 0.001 0.000 0.317 326 M C 1.053 177.265 176.300 -0.145 0.000 1.179 326 M CA -0.806 54.488 55.300 -0.010 0.000 0.936 326 M CB 1.476 34.175 32.600 0.164 0.000 1.713 326 M HN 0.176 nan 8.290 nan 0.000 0.460 327 E N 1.524 121.572 120.200 -0.253 0.000 3.481 327 E HA -0.305 4.046 4.350 0.001 0.000 0.436 327 E C 1.264 177.804 176.600 -0.101 0.000 1.609 327 E CA 2.354 58.591 56.400 -0.271 0.000 1.448 327 E CB -1.142 28.238 29.700 -0.534 0.000 1.457 327 E HN 0.936 nan 8.360 nan 0.000 0.431 328 H N 1.168 120.167 119.070 -0.118 0.000 2.457 328 H HA 0.028 4.584 4.556 0.001 0.000 0.294 328 H C 2.220 177.535 175.328 -0.020 0.000 1.064 328 H CA 1.449 57.464 56.048 -0.055 0.000 1.330 328 H CB -0.476 29.262 29.762 -0.040 0.000 1.395 328 H HN 0.249 nan 8.280 nan 0.000 0.541 329 L N 0.874 121.835 121.223 -0.438 0.000 2.612 329 L HA 0.148 4.489 4.340 0.001 0.000 0.230 329 L C 2.708 179.515 176.870 -0.104 0.000 1.140 329 L CA 0.060 54.749 54.840 -0.252 0.000 0.896 329 L CB -0.224 41.675 42.059 -0.268 0.000 1.065 329 L HN 0.141 nan 8.230 nan 0.000 0.447 330 R N 1.132 121.582 120.500 -0.083 0.000 2.154 330 R HA -0.232 4.109 4.340 0.001 0.000 0.248 330 R C 1.321 177.611 176.300 -0.017 0.000 1.155 330 R CA 1.801 57.878 56.100 -0.039 0.000 0.979 330 R CB 0.164 30.444 30.300 -0.033 0.000 0.869 330 R HN 0.301 nan 8.270 nan 0.000 0.452 331 E N -0.944 119.246 120.200 -0.017 0.000 2.489 331 E HA 0.126 4.477 4.350 0.001 0.000 0.204 331 E C -0.539 176.058 176.600 -0.005 0.000 1.006 331 E CA -0.040 56.357 56.400 -0.006 0.000 0.936 331 E CB 1.073 30.772 29.700 -0.003 0.000 1.002 331 E HN -0.001 nan 8.360 nan 0.000 0.488 332 V N 3.678 123.584 119.914 -0.012 0.000 2.521 332 V HA 0.020 4.140 4.120 0.001 0.000 0.286 332 V C 1.327 177.416 176.094 -0.009 0.000 1.034 332 V CA 0.071 62.366 62.300 -0.009 0.000 1.045 332 V CB 0.822 32.639 31.823 -0.011 0.000 0.974 332 V HN 0.299 nan 8.190 nan 0.000 0.480 333 R N 3.236 123.732 120.500 -0.006 0.000 2.359 333 R HA 0.570 4.911 4.340 0.001 0.000 0.231 333 R C -0.074 176.214 176.300 -0.021 0.000 0.913 333 R CA 0.565 56.660 56.100 -0.007 0.000 1.075 333 R CB 0.024 30.323 30.300 -0.001 0.000 1.087 333 R HN 0.721 nan 8.270 nan 0.000 0.515 334 A N -0.203 122.595 122.820 -0.036 0.000 2.597 334 A HA 0.484 4.805 4.320 0.001 0.000 0.292 334 A C -1.399 176.127 177.584 -0.096 0.000 1.057 334 A CA -0.644 51.348 52.037 -0.076 0.000 0.674 334 A CB 1.496 20.471 19.000 -0.041 0.000 1.278 334 A HN -0.039 nan 8.150 nan 0.000 0.416 335 V N 2.148 121.934 119.914 -0.214 0.000 2.530 335 V HA 0.626 4.747 4.120 0.001 0.000 0.282 335 V C 0.796 176.846 176.094 -0.075 0.000 1.048 335 V CA 0.919 63.141 62.300 -0.130 0.000 0.997 335 V CB 0.893 32.501 31.823 -0.359 0.000 0.987 335 V HN 1.365 nan 8.190 nan 0.000 0.477 336 T N 0.684 115.244 114.554 0.010 0.000 2.778 336 T HA 0.291 4.642 4.350 0.001 0.000 0.293 336 T C 0.900 175.613 174.700 0.021 0.000 1.144 336 T CA -0.038 62.050 62.100 -0.020 0.000 1.010 336 T CB 1.595 70.449 68.868 -0.023 0.000 1.325 336 T HN 0.280 nan 8.240 nan 0.000 0.515 337 S N 0.144 115.844 115.700 0.001 0.000 2.442 337 S HA 0.028 4.499 4.470 0.001 0.000 0.236 337 S C 2.155 176.761 174.600 0.010 0.000 1.007 337 S CA 1.006 59.213 58.200 0.012 0.000 0.965 337 S CB -0.792 62.411 63.200 0.004 0.000 0.773 337 S HN 0.913 nan 8.310 nan 0.000 0.504 338 A N 1.866 124.690 122.820 0.007 0.000 2.206 338 A HA 0.019 4.340 4.320 0.001 0.000 0.211 338 A C 1.423 179.008 177.584 0.002 0.000 1.158 338 A CA 1.186 53.225 52.037 0.004 0.000 0.761 338 A CB -0.268 18.735 19.000 0.005 0.000 0.801 338 A HN 0.701 nan 8.150 nan 0.000 0.473 339 N N -2.507 116.200 118.700 0.012 0.000 2.008 339 N HA 0.025 4.766 4.740 0.001 0.000 0.228 339 N C 0.864 176.351 175.510 -0.038 0.000 1.375 339 N CA 0.289 53.327 53.050 -0.020 0.000 0.856 339 N CB -0.541 37.956 38.487 0.016 0.000 1.096 339 N HN 0.089 nan 8.380 nan 0.000 0.489 340 I N 1.072 121.691 120.570 0.082 0.000 2.185 340 I HA -0.246 3.925 4.170 0.001 0.000 0.246 340 I C 1.797 177.932 176.117 0.030 0.000 1.088 340 I CA 1.892 63.295 61.300 0.173 0.000 1.347 340 I CB -0.163 37.922 38.000 0.141 0.000 1.041 340 I HN 0.174 nan 8.210 nan 0.000 0.415 341 Q N 0.483 120.252 119.800 -0.051 0.000 2.291 341 Q HA -0.195 4.146 4.340 0.001 0.000 0.205 341 Q C 2.036 177.941 176.000 -0.158 0.000 0.970 341 Q CA 1.270 57.022 55.803 -0.085 0.000 0.876 341 Q CB -0.264 28.436 28.738 -0.063 0.000 0.935 341 Q HN 0.676 nan 8.270 nan 0.000 0.455 342 E N -0.796 119.220 120.200 -0.305 0.000 2.401 342 E HA -0.135 4.216 4.350 0.001 0.000 0.199 342 E C 0.736 177.044 176.600 -0.486 0.000 1.023 342 E CA 0.492 56.638 56.400 -0.423 0.000 0.859 342 E CB -0.049 29.319 29.700 -0.553 0.000 0.780 342 E HN 0.376 nan 8.360 nan 0.000 0.523 343 F N 0.205 120.148 119.950 -0.012 0.000 2.695 343 F HA 0.273 4.801 4.527 0.001 0.000 0.303 343 F C 1.041 176.789 175.800 -0.086 0.000 1.091 343 F CA -0.704 57.280 58.000 -0.027 0.000 1.300 343 F CB 0.328 39.294 39.000 -0.056 0.000 1.071 343 F HN -0.172 nan 8.300 nan 0.000 0.578 344 A N 0.823 123.648 122.820 0.009 0.000 2.580 344 A HA 0.315 4.636 4.320 0.001 0.000 0.244 344 A C 1.632 179.228 177.584 0.021 0.000 1.045 344 A CA 0.824 52.852 52.037 -0.015 0.000 0.761 344 A CB -0.850 18.130 19.000 -0.033 0.000 0.962 344 A HN 0.950 nan 8.150 nan 0.000 0.512 345 G N 1.211 110.023 108.800 0.020 0.000 2.187 345 G HA2 -0.277 3.684 3.960 0.001 0.000 0.261 345 G HA3 -0.277 3.684 3.960 0.001 0.000 0.261 345 G C 0.345 175.286 174.900 0.068 0.000 1.000 345 G CA 0.377 45.499 45.100 0.036 0.000 0.718 345 G HN 1.193 nan 8.290 nan 0.000 0.519 346 c N 0.666 119.331 118.600 0.108 0.000 2.464 346 c HA 0.389 4.959 4.570 0.001 0.000 0.370 346 c C 1.906 176.070 174.090 0.125 0.000 1.267 346 c CA -0.157 56.259 56.329 0.146 0.000 1.781 346 c CB 0.699 43.359 42.510 0.250 0.000 2.431 346 c HN 0.548 nan 8.230 nan 0.000 0.556 347 K N 1.531 121.985 120.400 0.089 0.000 2.137 347 K HA 0.015 4.336 4.320 0.001 0.000 0.202 347 K C 0.770 177.390 176.600 0.033 0.000 1.052 347 K CA 0.864 57.188 56.287 0.061 0.000 0.961 347 K CB 0.260 32.786 32.500 0.042 0.000 0.741 347 K HN 0.560 nan 8.250 nan 0.000 0.452 348 K N 1.067 121.474 120.400 0.011 0.000 2.378 348 K HA 0.397 4.717 4.320 0.001 0.000 0.252 348 K C -1.395 175.133 176.600 -0.120 0.000 0.931 348 K CA -0.422 55.793 56.287 -0.121 0.000 0.794 348 K CB 1.452 33.817 32.500 -0.226 0.000 1.181 348 K HN -0.094 nan 8.250 nan 0.000 0.425 349 I N 4.556 125.005 120.570 -0.201 0.000 2.418 349 I HA 0.265 4.436 4.170 0.001 0.000 0.287 349 I C -0.997 174.997 176.117 -0.206 0.000 1.008 349 I CA -0.865 60.395 61.300 -0.067 0.000 1.104 349 I CB 1.135 39.147 38.000 0.020 0.000 1.264 349 I HN 0.524 nan 8.210 nan 0.000 0.438 350 F N 5.627 125.572 119.950 -0.007 0.000 2.423 350 F HA 0.613 5.140 4.527 0.001 0.000 0.356 350 F C 1.036 176.890 175.800 0.090 0.000 1.170 350 F CA -0.097 57.913 58.000 0.016 0.000 1.163 350 F CB 0.419 39.397 39.000 -0.038 0.000 1.318 350 F HN 0.644 nan 8.300 nan 0.000 0.569 351 G N 1.012 109.883 108.800 0.118 0.000 2.260 351 G HA2 0.234 4.194 3.960 0.001 0.000 0.250 351 G HA3 0.234 4.194 3.960 0.001 0.000 0.250 351 G C -1.246 173.587 174.900 -0.112 0.000 1.340 351 G CA -0.887 44.245 45.100 0.052 0.000 1.056 351 G HN 0.453 nan 8.290 nan 0.000 0.471 352 S N -0.981 114.580 115.700 -0.232 0.000 2.671 352 S HA 0.854 5.324 4.470 0.001 0.000 0.299 352 S C -0.683 173.670 174.600 -0.412 0.000 1.116 352 S CA -0.667 57.239 58.200 -0.490 0.000 0.912 352 S CB 1.702 64.200 63.200 -1.169 0.000 1.130 352 S HN 0.681 nan 8.310 nan 0.000 0.501 353 L N 1.492 122.452 121.223 -0.439 0.000 2.381 353 L HA 0.813 5.153 4.340 0.001 0.000 0.274 353 L C -0.594 176.114 176.870 -0.270 0.000 0.988 353 L CA -0.644 53.960 54.840 -0.393 0.000 0.824 353 L CB 1.693 43.523 42.059 -0.381 0.000 1.263 353 L HN 0.774 nan 8.230 nan 0.000 0.410 354 A N 3.370 125.977 122.820 -0.355 0.000 2.398 354 A HA 0.850 5.171 4.320 0.001 0.000 0.301 354 A C -1.468 175.951 177.584 -0.274 0.000 1.041 354 A CA -0.320 51.689 52.037 -0.046 0.000 0.711 354 A CB 0.994 20.037 19.000 0.072 0.000 1.240 354 A HN 0.471 nan 8.150 nan 0.000 0.420 355 F N 2.276 122.411 119.950 0.309 0.000 2.477 355 F HA 0.690 5.218 4.527 0.001 0.000 0.335 355 F C -0.281 175.728 175.800 0.348 0.000 1.130 355 F CA -0.615 57.566 58.000 0.303 0.000 0.948 355 F CB 1.679 40.986 39.000 0.513 0.000 1.154 355 F HN 0.339 nan 8.300 nan 0.000 0.439 356 L N 4.234 125.669 121.223 0.353 0.000 2.256 356 L HA 0.619 4.959 4.340 0.001 0.000 0.261 356 L C -1.607 175.436 176.870 0.289 0.000 1.022 356 L CA -2.131 52.902 54.840 0.321 0.000 0.828 356 L CB 1.051 43.238 42.059 0.213 0.000 1.374 356 L HN 0.148 nan 8.230 nan 0.000 0.436 357 P HA -0.225 nan 4.420 nan 0.000 0.215 357 P C 1.094 178.499 177.300 0.175 0.000 1.163 357 P CA 1.763 64.997 63.100 0.224 0.000 0.894 357 P CB 0.081 31.873 31.700 0.153 0.000 0.791 358 E N -0.755 119.510 120.200 0.108 0.000 2.171 358 E HA -0.195 4.156 4.350 0.001 0.000 0.197 358 E C 1.864 178.461 176.600 -0.006 0.000 0.997 358 E CA 1.519 57.952 56.400 0.054 0.000 0.810 358 E CB -1.189 28.534 29.700 0.038 0.000 0.738 358 E HN 0.151 nan 8.360 nan 0.000 0.467 359 S N 0.728 116.386 115.700 -0.070 0.000 2.365 359 S HA -0.155 4.315 4.470 0.001 0.000 0.225 359 S C 1.542 175.856 174.600 -0.476 0.000 1.039 359 S CA 1.729 59.736 58.200 -0.323 0.000 1.033 359 S CB -0.345 62.545 63.200 -0.518 0.000 0.887 359 S HN 0.347 nan 8.310 nan 0.000 0.447 360 F N 0.914 120.924 119.950 0.100 0.000 2.714 360 F HA 0.202 4.729 4.527 0.001 0.000 0.294 360 F C 1.920 177.742 175.800 0.035 0.000 1.120 360 F CA -0.056 57.974 58.000 0.049 0.000 1.398 360 F CB -0.087 38.923 39.000 0.017 0.000 1.120 360 F HN 0.040 nan 8.300 nan 0.000 0.589 361 D N 0.270 120.762 120.400 0.153 0.000 2.194 361 D HA 0.121 4.761 4.640 0.001 0.000 0.204 361 D C 1.476 177.813 176.300 0.061 0.000 0.964 361 D CA 1.483 55.545 54.000 0.104 0.000 0.846 361 D CB -0.357 40.496 40.800 0.089 0.000 0.962 361 D HN 0.225 nan 8.370 nan 0.000 0.490 362 G N 0.926 109.746 108.800 0.034 0.000 2.755 362 G HA2 -0.208 3.752 3.960 0.001 0.000 0.686 362 G HA3 -0.208 3.752 3.960 0.001 0.000 0.686 362 G C -0.896 174.016 174.900 0.019 0.000 1.427 362 G CA -0.319 44.790 45.100 0.016 0.000 0.873 362 G HN 0.209 nan 8.290 nan 0.000 0.580 363 D N 1.872 122.279 120.400 0.012 0.000 2.464 363 D HA 0.612 5.252 4.640 0.001 0.000 0.243 363 D C -0.892 175.415 176.300 0.012 0.000 1.104 363 D CA -2.088 51.920 54.000 0.013 0.000 0.883 363 D CB 1.523 42.329 40.800 0.010 0.000 1.050 363 D HN 0.060 nan 8.370 nan 0.000 0.524 364 P HA -0.134 nan 4.420 nan 0.000 0.218 364 P C 1.089 178.394 177.300 0.010 0.000 1.148 364 P CA 1.051 64.158 63.100 0.012 0.000 0.822 364 P CB 0.280 31.988 31.700 0.014 0.000 0.784 365 A N 0.042 122.868 122.820 0.010 0.000 1.940 365 A HA -0.187 4.134 4.320 0.001 0.000 0.219 365 A C 2.161 179.749 177.584 0.007 0.000 1.176 365 A CA 2.343 54.386 52.037 0.009 0.000 0.631 365 A CB -1.437 17.568 19.000 0.010 0.000 0.814 365 A HN 0.357 nan 8.150 nan 0.000 0.446 366 S N -1.725 113.979 115.700 0.007 0.000 2.556 366 S HA 0.133 4.603 4.470 0.001 0.000 0.216 366 S C 0.666 175.269 174.600 0.004 0.000 0.970 366 S CA 0.625 58.828 58.200 0.005 0.000 0.912 366 S CB -0.384 62.819 63.200 0.005 0.000 0.790 366 S HN 0.698 nan 8.310 nan 0.000 0.504 367 N N 1.519 120.222 118.700 0.005 0.000 2.741 367 N HA -0.170 4.570 4.740 0.001 0.000 0.251 367 N C -0.329 175.183 175.510 0.004 0.000 1.112 367 N CA 1.248 54.300 53.050 0.005 0.000 0.750 367 N CB -2.089 36.400 38.487 0.003 0.000 1.119 367 N HN 0.735 nan 8.380 nan 0.000 0.561 368 T N -1.414 113.143 114.554 0.004 0.000 2.863 368 T HA 0.680 5.030 4.350 0.001 0.000 0.299 368 T C 0.724 175.427 174.700 0.004 0.000 0.973 368 T CA -0.207 61.895 62.100 0.003 0.000 0.994 368 T CB 0.987 69.856 68.868 0.001 0.000 0.961 368 T HN 0.530 nan 8.240 nan 0.000 0.552 369 A N 5.589 128.413 122.820 0.006 0.000 2.520 369 A HA 0.448 4.769 4.320 0.001 0.000 0.235 369 A C -1.897 175.694 177.584 0.011 0.000 1.065 369 A CA -1.198 50.845 52.037 0.010 0.000 0.764 369 A CB -0.502 18.503 19.000 0.010 0.000 1.002 369 A HN 0.593 nan 8.150 nan 0.000 0.502 370 P HA 0.090 nan 4.420 nan 0.000 0.269 370 P C -0.339 176.980 177.300 0.031 0.000 1.211 370 P CA -0.153 62.966 63.100 0.032 0.000 0.781 370 P CB 0.306 32.042 31.700 0.060 0.000 0.877 371 L N 2.675 123.911 121.223 0.022 0.000 2.371 371 L HA 0.182 4.523 4.340 0.001 0.000 0.272 371 L C -0.000 176.951 176.870 0.136 0.000 1.124 371 L CA 0.317 55.180 54.840 0.039 0.000 0.816 371 L CB 0.177 42.183 42.059 -0.088 0.000 1.129 371 L HN 0.264 nan 8.230 nan 0.000 0.448 372 Q N 5.568 125.420 119.800 0.087 0.000 2.256 372 Q HA 0.328 4.669 4.340 0.001 0.000 0.257 372 Q C -1.805 174.209 176.000 0.023 0.000 0.936 372 Q CA -2.030 53.805 55.803 0.053 0.000 0.903 372 Q CB 1.233 29.982 28.738 0.019 0.000 1.263 372 Q HN 0.412 nan 8.270 nan 0.000 0.440 373 P HA -0.228 nan 4.420 nan 0.000 0.218 373 P C 0.324 177.568 177.300 -0.095 0.000 1.152 373 P CA 1.572 64.587 63.100 -0.143 0.000 0.857 373 P CB 0.489 32.086 31.700 -0.172 0.000 0.787 374 E N -0.942 119.227 120.200 -0.053 0.000 2.208 374 E HA -0.131 4.220 4.350 0.001 0.000 0.193 374 E C 2.016 178.599 176.600 -0.027 0.000 0.988 374 E CA 0.790 57.166 56.400 -0.039 0.000 0.828 374 E CB -0.711 28.972 29.700 -0.029 0.000 0.763 374 E HN 0.422 nan 8.360 nan 0.000 0.478 375 Q N 0.156 119.951 119.800 -0.009 0.000 2.224 375 Q HA -0.018 4.322 4.340 0.001 0.000 0.203 375 Q C 1.890 177.895 176.000 0.008 0.000 0.970 375 Q CA 0.700 56.505 55.803 0.004 0.000 0.865 375 Q CB -0.076 28.682 28.738 0.032 0.000 0.922 375 Q HN 0.336 nan 8.270 nan 0.000 0.445 376 L N 0.932 122.173 121.223 0.030 0.000 2.353 376 L HA -0.166 4.175 4.340 0.001 0.000 0.220 376 L C 1.795 178.676 176.870 0.018 0.000 1.133 376 L CA 0.426 55.319 54.840 0.088 0.000 0.798 376 L CB -0.307 41.736 42.059 -0.026 0.000 0.922 376 L HN 0.223 nan 8.230 nan 0.000 0.445 377 Q N -0.315 119.462 119.800 -0.038 0.000 2.541 377 Q HA -0.062 4.279 4.340 0.001 0.000 0.215 377 Q C 2.211 178.161 176.000 -0.084 0.000 0.977 377 Q CA 0.648 56.422 55.803 -0.049 0.000 0.934 377 Q CB -0.299 28.415 28.738 -0.040 0.000 0.988 377 Q HN 0.411 nan 8.270 nan 0.000 0.521 378 V N -0.288 119.521 119.914 -0.176 0.000 2.667 378 V HA -0.161 3.959 4.120 0.001 0.000 0.252 378 V C 1.340 177.232 176.094 -0.337 0.000 1.065 378 V CA 1.284 63.407 62.300 -0.294 0.000 1.083 378 V CB -0.550 31.009 31.823 -0.440 0.000 0.692 378 V HN 0.253 nan 8.190 nan 0.000 0.468 379 F N -0.065 119.887 119.950 0.003 0.000 2.773 379 F HA 0.138 4.666 4.527 0.001 0.000 0.304 379 F C 2.027 177.815 175.800 -0.020 0.000 1.129 379 F CA 0.101 58.104 58.000 0.006 0.000 1.378 379 F CB -0.355 38.603 39.000 -0.070 0.000 1.095 379 F HN 0.201 nan 8.300 nan 0.000 0.565 380 E N 0.053 120.293 120.200 0.067 0.000 2.265 380 E HA -0.160 4.191 4.350 0.001 0.000 0.196 380 E C 1.992 178.627 176.600 0.058 0.000 0.996 380 E CA 1.709 58.134 56.400 0.042 0.000 0.832 380 E CB -0.332 29.371 29.700 0.005 0.000 0.756 380 E HN 0.462 nan 8.360 nan 0.000 0.491 381 T N -0.931 113.665 114.554 0.070 0.000 3.065 381 T HA 0.062 4.413 4.350 0.001 0.000 0.252 381 T C 0.799 175.554 174.700 0.091 0.000 1.099 381 T CA -0.411 61.727 62.100 0.064 0.000 1.063 381 T CB -0.057 68.840 68.868 0.050 0.000 0.948 381 T HN -0.066 nan 8.240 nan 0.000 0.506 382 L N 2.443 123.759 121.223 0.154 0.000 2.584 382 L HA 0.220 4.560 4.340 0.001 0.000 0.272 382 L C 0.821 177.757 176.870 0.110 0.000 1.195 382 L CA 0.666 55.612 54.840 0.176 0.000 0.920 382 L CB 0.229 42.488 42.059 0.332 0.000 1.173 382 L HN 0.183 nan 8.230 nan 0.000 0.489 383 E N 2.677 122.908 120.200 0.052 0.000 2.453 383 E HA 0.173 4.523 4.350 0.001 0.000 0.211 383 E C -0.275 176.311 176.600 -0.024 0.000 0.897 383 E CA 0.062 56.469 56.400 0.011 0.000 1.063 383 E CB 0.717 30.418 29.700 0.002 0.000 1.080 383 E HN 0.703 nan 8.360 nan 0.000 0.512 384 E N 0.718 120.892 120.200 -0.044 0.000 2.343 384 E HA 0.416 4.767 4.350 0.001 0.000 0.278 384 E C -1.606 174.913 176.600 -0.134 0.000 0.910 384 E CA -0.453 55.890 56.400 -0.096 0.000 0.757 384 E CB 1.693 31.317 29.700 -0.128 0.000 1.218 384 E HN -0.060 nan 8.360 nan 0.000 0.435 385 I N 3.445 123.930 120.570 -0.141 0.000 2.478 385 I HA 0.156 4.327 4.170 0.001 0.000 0.287 385 I C 1.173 177.204 176.117 -0.144 0.000 1.042 385 I CA -0.401 60.804 61.300 -0.157 0.000 1.067 385 I CB 2.077 39.982 38.000 -0.159 0.000 1.233 385 I HN 0.735 nan 8.210 nan 0.000 0.431 386 T N 1.052 115.506 114.554 -0.168 0.000 3.023 386 T HA 0.067 4.418 4.350 0.001 0.000 0.266 386 T C 1.177 175.848 174.700 -0.049 0.000 1.093 386 T CA 0.700 62.731 62.100 -0.114 0.000 1.129 386 T CB 0.107 68.912 68.868 -0.106 0.000 0.899 386 T HN 0.655 nan 8.240 nan 0.000 0.491 387 G N 1.095 109.858 108.800 -0.063 0.000 3.311 387 G HA2 0.517 4.478 3.960 0.001 0.000 0.169 387 G HA3 0.517 4.478 3.960 0.001 0.000 0.169 387 G C -0.253 174.673 174.900 0.043 0.000 1.852 387 G CA -0.266 44.815 45.100 -0.032 0.000 1.010 387 G HN 0.667 nan 8.290 nan 0.000 0.530 388 Y N -2.380 117.933 120.300 0.021 0.000 2.665 388 Y HA 0.789 5.339 4.550 0.001 0.000 0.336 388 Y C -1.293 174.614 175.900 0.012 0.000 1.085 388 Y CA -1.931 56.195 58.100 0.044 0.000 1.096 388 Y CB 1.581 40.115 38.460 0.122 0.000 1.301 388 Y HN 0.473 nan 8.280 nan 0.000 0.493 389 L N 2.361 123.737 121.223 0.255 0.000 2.381 389 L HA 0.549 4.889 4.340 0.001 0.000 0.274 389 L C -2.078 174.977 176.870 0.307 0.000 0.988 389 L CA -1.051 53.849 54.840 0.100 0.000 0.824 389 L CB 1.469 43.437 42.059 -0.151 0.000 1.263 389 L HN 0.769 nan 8.230 nan 0.000 0.410 390 Y N 5.757 126.185 120.300 0.212 0.000 2.361 390 Y HA 0.762 5.312 4.550 0.001 0.000 0.337 390 Y C -1.141 174.875 175.900 0.193 0.000 0.965 390 Y CA -0.823 57.368 58.100 0.151 0.000 1.091 390 Y CB 1.504 40.074 38.460 0.184 0.000 1.182 390 Y HN 0.543 nan 8.280 nan 0.000 0.450 391 I N 6.073 126.561 120.570 -0.138 0.000 2.517 391 I HA 0.186 4.356 4.170 0.001 0.000 0.280 391 I C -0.039 175.986 176.117 -0.155 0.000 1.061 391 I CA -0.374 60.960 61.300 0.057 0.000 1.091 391 I CB 1.860 39.830 38.000 -0.050 0.000 1.205 391 I HN 0.738 nan 8.210 nan 0.000 0.459 392 S N 3.213 118.927 115.700 0.024 0.000 2.578 392 S HA 0.661 5.132 4.470 0.001 0.000 0.231 392 S C 0.342 175.029 174.600 0.146 0.000 0.994 392 S CA -0.281 57.912 58.200 -0.011 0.000 0.956 392 S CB 0.751 64.013 63.200 0.104 0.000 0.870 392 S HN 0.652 nan 8.310 nan 0.000 0.494 393 A N 0.808 123.805 122.820 0.295 0.000 2.566 393 A HA 0.645 4.965 4.320 0.001 0.000 0.297 393 A C -1.849 175.992 177.584 0.428 0.000 1.059 393 A CA -0.575 51.669 52.037 0.344 0.000 0.691 393 A CB 1.068 20.339 19.000 0.451 0.000 1.282 393 A HN 0.501 nan 8.150 nan 0.000 0.401 394 W N 3.385 124.550 121.300 -0.226 0.000 3.363 394 W HA 0.459 5.120 4.660 0.001 0.000 0.306 394 W C -2.909 173.231 176.519 -0.632 0.000 1.253 394 W CA -1.670 55.323 57.345 -0.587 0.000 1.195 394 W CB 2.028 31.300 29.460 -0.314 0.000 1.366 394 W HN 0.635 nan 8.180 nan 0.000 0.551 395 P HA 0.026 nan 4.420 nan 0.000 0.266 395 P C 0.501 177.605 177.300 -0.326 0.000 1.215 395 P CA 0.620 63.318 63.100 -0.669 0.000 0.763 395 P CB 0.965 32.220 31.700 -0.743 0.000 0.806 396 D N 2.170 122.463 120.400 -0.179 0.000 2.203 396 D HA -0.163 4.477 4.640 0.001 0.000 0.199 396 D C 1.922 178.159 176.300 -0.106 0.000 0.997 396 D CA 1.948 55.891 54.000 -0.094 0.000 0.863 396 D CB -0.272 40.492 40.800 -0.060 0.000 0.928 396 D HN 0.489 nan 8.370 nan 0.000 0.458 397 S N 0.119 115.739 115.700 -0.132 0.000 2.400 397 S HA -0.134 4.336 4.470 0.001 0.000 0.232 397 S C 1.252 175.783 174.600 -0.114 0.000 1.025 397 S CA 0.409 58.541 58.200 -0.113 0.000 0.993 397 S CB -0.448 62.685 63.200 -0.113 0.000 0.808 397 S HN 0.199 nan 8.310 nan 0.000 0.478 398 L N 3.158 124.295 121.223 -0.143 0.000 2.313 398 L HA 0.282 4.623 4.340 0.001 0.000 0.282 398 L C -1.223 175.603 176.870 -0.073 0.000 1.092 398 L CA -1.708 53.082 54.840 -0.083 0.000 0.831 398 L CB 1.017 43.036 42.059 -0.067 0.000 1.159 398 L HN 0.117 nan 8.230 nan 0.000 0.442 399 P HA -0.027 nan 4.420 nan 0.000 0.231 399 P C -0.487 176.319 177.300 -0.823 0.000 1.168 399 P CA 0.712 63.500 63.100 -0.519 0.000 0.779 399 P CB 0.327 31.645 31.700 -0.637 0.000 0.844 400 D N -1.012 119.069 120.400 -0.531 0.000 2.895 400 D HA 0.175 4.816 4.640 0.001 0.000 0.320 400 D C -0.047 176.124 176.300 -0.216 0.000 1.249 400 D CA -0.845 52.835 54.000 -0.533 0.000 0.997 400 D CB 0.116 40.532 40.800 -0.639 0.000 1.430 400 D HN -0.150 nan 8.370 nan 0.000 0.558 401 L N 0.938 122.019 121.223 -0.236 0.000 3.062 401 L HA 0.236 4.576 4.340 0.001 0.000 0.255 401 L C 1.520 178.381 176.870 -0.015 0.000 1.274 401 L CA -0.120 54.588 54.840 -0.220 0.000 1.047 401 L CB 0.087 41.928 42.059 -0.362 0.000 1.402 401 L HN 0.473 nan 8.230 nan 0.000 0.550 402 S N -0.575 115.137 115.700 0.020 0.000 2.440 402 S HA -0.184 4.287 4.470 0.001 0.000 0.240 402 S C 1.956 176.555 174.600 -0.002 0.000 1.014 402 S CA 1.215 59.434 58.200 0.031 0.000 0.980 402 S CB -0.779 62.463 63.200 0.070 0.000 0.775 402 S HN 0.432 nan 8.310 nan 0.000 0.499 403 V N -2.194 117.699 119.914 -0.036 0.000 2.568 403 V HA -0.001 4.119 4.120 0.001 0.000 0.253 403 V C 1.554 177.506 176.094 -0.238 0.000 1.072 403 V CA 1.279 63.489 62.300 -0.152 0.000 1.084 403 V CB -1.408 30.275 31.823 -0.233 0.000 0.676 403 V HN 0.445 nan 8.190 nan 0.000 0.469 404 F N 1.913 121.876 119.950 0.021 0.000 2.668 404 F HA 0.293 4.820 4.527 0.001 0.000 0.297 404 F C 2.167 177.903 175.800 -0.105 0.000 1.124 404 F CA -0.107 57.867 58.000 -0.044 0.000 1.353 404 F CB -0.600 38.318 39.000 -0.136 0.000 0.992 404 F HN 0.324 nan 8.300 nan 0.000 0.524 405 Q N -0.558 119.261 119.800 0.031 0.000 2.364 405 Q HA -0.163 4.177 4.340 0.001 0.000 0.209 405 Q C 0.620 176.585 176.000 -0.059 0.000 0.977 405 Q CA 1.484 57.258 55.803 -0.048 0.000 0.885 405 Q CB -0.297 28.421 28.738 -0.034 0.000 0.941 405 Q HN 0.246 nan 8.270 nan 0.000 0.464 406 N N 0.481 119.179 118.700 -0.004 0.000 2.235 406 N HA 0.108 4.848 4.740 0.001 0.000 0.209 406 N C -0.614 174.892 175.510 -0.006 0.000 1.122 406 N CA -0.144 52.900 53.050 -0.010 0.000 0.845 406 N CB 0.486 38.982 38.487 0.015 0.000 1.004 406 N HN 0.208 nan 8.380 nan 0.000 0.499 407 L N 1.714 122.931 121.223 -0.009 0.000 2.433 407 L HA 0.076 4.416 4.340 0.001 0.000 0.275 407 L C 1.139 177.956 176.870 -0.088 0.000 1.128 407 L CA 0.633 55.455 54.840 -0.030 0.000 0.875 407 L CB 0.606 42.636 42.059 -0.048 0.000 1.171 407 L HN 0.028 nan 8.230 nan 0.000 0.463 408 Q N 2.948 122.712 119.800 -0.060 0.000 2.390 408 Q HA 0.289 4.630 4.340 0.001 0.000 0.216 408 Q C -0.576 175.400 176.000 -0.041 0.000 0.916 408 Q CA 0.366 56.136 55.803 -0.055 0.000 0.911 408 Q CB 0.857 29.575 28.738 -0.032 0.000 1.035 408 Q HN 0.535 nan 8.270 nan 0.000 0.541 409 V N 0.844 120.734 119.914 -0.040 0.000 2.888 409 V HA 0.405 4.525 4.120 0.001 0.000 0.309 409 V C -1.087 174.985 176.094 -0.038 0.000 1.114 409 V CA -0.638 61.649 62.300 -0.022 0.000 0.940 409 V CB 2.436 34.251 31.823 -0.014 0.000 1.021 409 V HN 0.107 nan 8.190 nan 0.000 0.426 410 I N 3.786 124.352 120.570 -0.006 0.000 2.563 410 I HA 0.382 4.553 4.170 0.001 0.000 0.276 410 I C 0.976 177.112 176.117 0.031 0.000 1.074 410 I CA -0.563 60.733 61.300 -0.006 0.000 1.124 410 I CB 1.648 39.656 38.000 0.012 0.000 1.225 410 I HN 0.558 nan 8.210 nan 0.000 0.482 411 R N 3.202 123.700 120.500 -0.003 0.000 2.105 411 R HA -0.079 4.261 4.340 0.001 0.000 0.239 411 R C 1.627 177.946 176.300 0.032 0.000 1.135 411 R CA 1.458 57.557 56.100 -0.001 0.000 0.967 411 R CB -0.326 29.941 30.300 -0.055 0.000 0.861 411 R HN 0.933 nan 8.270 nan 0.000 0.442 412 G N -0.218 108.612 108.800 0.051 0.000 2.176 412 G HA2 -0.343 3.618 3.960 0.001 0.000 0.252 412 G HA3 -0.343 3.618 3.960 0.001 0.000 0.252 412 G C 0.643 175.572 174.900 0.048 0.000 1.024 412 G CA 0.544 45.700 45.100 0.093 0.000 0.755 412 G HN 0.330 nan 8.290 nan 0.000 0.507 413 R N -0.889 119.613 120.500 0.004 0.000 2.193 413 R HA 0.105 4.446 4.340 0.001 0.000 0.229 413 R C 1.019 177.324 176.300 0.008 0.000 1.110 413 R CA 1.035 57.105 56.100 -0.050 0.000 0.988 413 R CB 0.073 30.331 30.300 -0.071 0.000 0.871 413 R HN 0.557 nan 8.270 nan 0.000 0.458 414 I N 1.498 122.123 120.570 0.092 0.000 2.466 414 I HA 0.274 4.445 4.170 0.001 0.000 0.289 414 I C -0.667 175.626 176.117 0.294 0.000 1.026 414 I CA -0.675 60.725 61.300 0.166 0.000 1.078 414 I CB 2.043 40.160 38.000 0.195 0.000 1.249 414 I HN -0.138 nan 8.210 nan 0.000 0.429 415 L N 4.554 125.865 121.223 0.146 0.000 2.334 415 L HA 0.480 4.820 4.340 0.001 0.000 0.273 415 L C 0.227 176.931 176.870 -0.277 0.000 1.013 415 L CA -0.899 53.952 54.840 0.018 0.000 0.816 415 L CB 1.455 43.498 42.059 -0.026 0.000 1.278 415 L HN 0.544 nan 8.230 nan 0.000 0.431 416 H N 3.666 122.326 119.070 -0.684 0.000 2.803 416 H HA 0.007 4.563 4.556 0.001 0.000 0.330 416 H C 0.167 175.396 175.328 -0.165 0.000 1.057 416 H CA 0.525 56.153 56.048 -0.700 0.000 1.458 416 H CB 0.761 30.175 29.762 -0.580 0.000 1.470 416 H HN 0.648 nan 8.280 nan 0.000 0.560 417 N N 3.100 121.449 118.700 -0.585 0.000 2.681 417 N HA -0.190 4.550 4.740 0.001 0.000 0.250 417 N C 1.010 176.450 175.510 -0.116 0.000 1.133 417 N CA 1.422 54.342 53.050 -0.217 0.000 0.732 417 N CB -1.419 37.095 38.487 0.046 0.000 1.107 417 N HN 0.988 nan 8.380 nan 0.000 0.559 418 G N -2.061 106.653 108.800 -0.144 0.000 2.187 418 G HA2 -0.185 3.776 3.960 0.001 0.000 0.261 418 G HA3 -0.185 3.776 3.960 0.001 0.000 0.261 418 G C 0.821 175.632 174.900 -0.149 0.000 1.000 418 G CA 1.427 46.466 45.100 -0.101 0.000 0.718 418 G HN 1.125 nan 8.290 nan 0.000 0.519 419 A N -1.690 120.994 122.820 -0.228 0.000 1.937 419 A HA 0.625 4.946 4.320 0.001 0.000 0.198 419 A C 0.418 177.723 177.584 -0.464 0.000 1.635 419 A CA 0.382 52.156 52.037 -0.439 0.000 1.111 419 A CB 0.524 19.088 19.000 -0.727 0.000 1.165 419 A HN 0.576 nan 8.150 nan 0.000 0.460 420 Y N 1.292 121.591 120.300 -0.002 0.000 2.328 420 Y HA 0.388 4.939 4.550 0.001 0.000 0.337 420 Y C 1.483 177.406 175.900 0.039 0.000 1.008 420 Y CA -0.053 58.060 58.100 0.021 0.000 1.129 420 Y CB 1.648 40.141 38.460 0.054 0.000 1.185 420 Y HN 0.231 nan 8.280 nan 0.000 0.476 421 S N 2.017 117.856 115.700 0.232 0.000 2.486 421 S HA 0.170 4.640 4.470 0.001 0.000 0.220 421 S C -0.129 174.621 174.600 0.249 0.000 1.011 421 S CA -0.040 58.306 58.200 0.242 0.000 0.921 421 S CB 0.355 63.674 63.200 0.198 0.000 0.785 421 S HN 0.475 nan 8.310 nan 0.000 0.517 422 L N 1.700 123.049 121.223 0.210 0.000 2.482 422 L HA 0.623 4.963 4.340 0.001 0.000 0.269 422 L C -1.630 175.263 176.870 0.039 0.000 0.967 422 L CA 0.132 55.049 54.840 0.129 0.000 0.851 422 L CB 2.047 44.187 42.059 0.135 0.000 1.242 422 L HN 0.003 nan 8.230 nan 0.000 0.404 423 T N 6.335 120.857 114.554 -0.052 0.000 2.841 423 T HA 0.671 5.022 4.350 0.001 0.000 0.285 423 T C -0.806 173.697 174.700 -0.329 0.000 0.991 423 T CA -0.321 61.632 62.100 -0.245 0.000 0.966 423 T CB 1.206 69.825 68.868 -0.415 0.000 0.962 423 T HN 0.453 nan 8.240 nan 0.000 0.438 424 L N 4.555 125.601 121.223 -0.294 0.000 2.406 424 L HA 0.561 4.902 4.340 0.001 0.000 0.270 424 L C -0.407 176.263 176.870 -0.333 0.000 0.982 424 L CA -0.843 53.825 54.840 -0.286 0.000 0.843 424 L CB 1.549 43.493 42.059 -0.191 0.000 1.225 424 L HN 0.676 nan 8.230 nan 0.000 0.412 425 Q N 1.255 120.824 119.800 -0.385 0.000 2.379 425 Q HA 0.624 4.965 4.340 0.001 0.000 0.278 425 Q C 0.443 176.278 176.000 -0.276 0.000 1.068 425 Q CA -0.458 55.062 55.803 -0.472 0.000 0.816 425 Q CB 2.366 30.707 28.738 -0.662 0.000 1.387 425 Q HN 0.653 nan 8.270 nan 0.000 0.413 426 G N 1.395 110.062 108.800 -0.222 0.000 2.187 426 G HA2 -0.281 3.680 3.960 0.001 0.000 0.261 426 G HA3 -0.281 3.680 3.960 0.001 0.000 0.261 426 G C -0.059 174.816 174.900 -0.041 0.000 1.000 426 G CA 0.839 45.886 45.100 -0.088 0.000 0.718 426 G HN 0.480 nan 8.290 nan 0.000 0.519 427 L N -1.269 119.918 121.223 -0.060 0.000 2.479 427 L HA 0.629 4.969 4.340 0.001 0.000 0.249 427 L C 1.742 178.623 176.870 0.018 0.000 1.178 427 L CA -0.004 54.827 54.840 -0.015 0.000 0.811 427 L CB 0.694 42.714 42.059 -0.066 0.000 1.187 427 L HN 0.072 nan 8.230 nan 0.000 0.480 428 G N 0.158 108.991 108.800 0.055 0.000 3.324 428 G HA2 0.247 4.208 3.960 0.001 0.000 0.251 428 G HA3 0.247 4.208 3.960 0.001 0.000 0.251 428 G C 0.477 175.421 174.900 0.073 0.000 1.072 428 G CA -0.278 44.896 45.100 0.123 0.000 0.787 428 G HN 0.521 nan 8.290 nan 0.000 0.537 429 I N -1.559 119.001 120.570 -0.016 0.000 2.892 429 I HA 0.292 4.463 4.170 0.001 0.000 0.287 429 I C 0.975 177.040 176.117 -0.087 0.000 1.205 429 I CA -0.101 61.119 61.300 -0.134 0.000 1.409 429 I CB 1.015 38.867 38.000 -0.248 0.000 1.367 429 I HN -0.157 nan 8.210 nan 0.000 0.597 430 S N 3.143 118.700 115.700 -0.237 0.000 2.492 430 S HA 0.181 4.651 4.470 0.001 0.000 0.218 430 S C -0.426 174.338 174.600 0.273 0.000 1.016 430 S CA 0.075 58.287 58.200 0.020 0.000 0.916 430 S CB -0.106 63.117 63.200 0.039 0.000 0.791 430 S HN 0.830 nan 8.310 nan 0.000 0.513 431 W N -1.258 120.100 121.300 0.096 0.000 3.066 431 W HA 0.566 5.226 4.660 0.001 0.000 0.330 431 W C -0.367 176.187 176.519 0.059 0.000 1.253 431 W CA -0.940 56.468 57.345 0.105 0.000 1.187 431 W CB 0.050 29.449 29.460 -0.101 0.000 1.434 431 W HN -0.244 nan 8.180 nan 0.000 0.572 432 L N 1.860 123.293 121.223 0.350 0.000 1.993 432 L HA 0.209 4.550 4.340 0.001 0.000 0.206 432 L C 1.974 178.962 176.870 0.197 0.000 1.074 432 L CA 1.503 56.484 54.840 0.234 0.000 0.746 432 L CB -1.122 41.204 42.059 0.445 0.000 0.896 432 L HN 1.245 nan 8.230 nan 0.000 0.435 433 G N 0.098 109.127 108.800 0.382 0.000 2.136 433 G HA2 -0.270 3.690 3.960 0.001 0.000 0.242 433 G HA3 -0.270 3.690 3.960 0.001 0.000 0.242 433 G C 0.343 175.184 174.900 -0.099 0.000 0.989 433 G CA 0.014 45.253 45.100 0.232 0.000 0.682 433 G HN 0.253 nan 8.290 nan 0.000 0.522 434 L N 1.188 122.175 121.223 -0.392 0.000 2.672 434 L HA 0.207 4.547 4.340 0.001 0.000 0.238 434 L C 2.360 178.380 176.870 -1.417 0.000 1.392 434 L CA 0.162 54.524 54.840 -0.796 0.000 1.238 434 L CB -0.294 41.221 42.059 -0.906 0.000 1.548 434 L HN 0.495 nan 8.230 nan 0.000 0.423 435 R N -1.760 118.252 120.500 -0.813 0.000 2.170 435 R HA -0.151 4.190 4.340 0.001 0.000 0.242 435 R C 1.496 177.550 176.300 -0.410 0.000 1.145 435 R CA 1.694 57.434 56.100 -0.599 0.000 0.984 435 R CB -0.465 29.737 30.300 -0.162 0.000 0.869 435 R HN 0.247 nan 8.270 nan 0.000 0.455 436 S N 0.470 115.954 115.700 -0.360 0.000 2.548 436 S HA 0.130 4.601 4.470 0.001 0.000 0.215 436 S C 0.233 174.715 174.600 -0.197 0.000 0.976 436 S CA -0.541 57.541 58.200 -0.196 0.000 0.908 436 S CB 0.112 63.238 63.200 -0.123 0.000 0.781 436 S HN 0.187 nan 8.310 nan 0.000 0.519 437 L N 4.066 125.069 121.223 -0.367 0.000 2.565 437 L HA 0.143 4.483 4.340 0.001 0.000 0.275 437 L C 1.030 177.880 176.870 -0.035 0.000 1.137 437 L CA 0.336 55.029 54.840 -0.245 0.000 0.915 437 L CB 0.220 42.021 42.059 -0.431 0.000 1.232 437 L HN 0.169 nan 8.230 nan 0.000 0.473 438 R N 2.732 123.230 120.500 -0.004 0.000 2.437 438 R HA 0.370 4.710 4.340 0.001 0.000 0.257 438 R C -0.075 176.246 176.300 0.035 0.000 0.927 438 R CA -0.174 55.946 56.100 0.034 0.000 1.078 438 R CB 0.322 30.635 30.300 0.023 0.000 1.161 438 R HN 0.593 nan 8.270 nan 0.000 0.529 439 E N 0.996 121.223 120.200 0.044 0.000 2.378 439 E HA 0.247 4.598 4.350 0.001 0.000 0.283 439 E C -1.666 174.999 176.600 0.108 0.000 0.979 439 E CA -0.739 55.708 56.400 0.078 0.000 0.795 439 E CB 1.695 31.452 29.700 0.096 0.000 1.221 439 E HN 0.160 nan 8.360 nan 0.000 0.428 440 L N 4.667 125.992 121.223 0.169 0.000 2.337 440 L HA 0.388 4.729 4.340 0.001 0.000 0.269 440 L C 1.356 178.374 176.870 0.246 0.000 1.018 440 L CA -0.420 54.552 54.840 0.220 0.000 0.876 440 L CB 1.354 43.614 42.059 0.336 0.000 1.236 440 L HN 0.979 nan 8.230 nan 0.000 0.436 441 G N 2.167 111.081 108.800 0.190 0.000 2.545 441 G HA2 -0.218 3.743 3.960 0.001 0.000 0.222 441 G HA3 -0.218 3.743 3.960 0.001 0.000 0.222 441 G C 0.590 175.632 174.900 0.236 0.000 1.126 441 G CA 1.209 46.439 45.100 0.217 0.000 0.754 441 G HN 0.618 nan 8.290 nan 0.000 0.583 442 S N -3.521 112.286 115.700 0.180 0.000 2.636 442 S HA 0.622 5.093 4.470 0.001 0.000 0.266 442 S C -0.282 174.382 174.600 0.107 0.000 1.147 442 S CA 0.296 58.582 58.200 0.144 0.000 0.815 442 S CB 1.381 64.649 63.200 0.113 0.000 1.119 442 S HN 2.095 nan 8.310 nan 0.000 0.470 443 G N -0.249 108.573 108.800 0.036 0.000 2.730 443 G HA2 0.117 4.078 3.960 0.001 0.000 0.686 443 G HA3 0.117 4.078 3.960 0.001 0.000 0.686 443 G C -1.116 173.764 174.900 -0.034 0.000 1.343 443 G CA -0.442 44.651 45.100 -0.012 0.000 0.826 443 G HN 1.087 nan 8.290 nan 0.000 0.582 444 L N 0.500 121.681 121.223 -0.069 0.000 2.400 444 L HA 0.806 5.147 4.340 0.001 0.000 0.264 444 L C 1.070 178.047 176.870 0.178 0.000 1.061 444 L CA -0.306 54.502 54.840 -0.054 0.000 0.799 444 L CB 1.642 43.645 42.059 -0.093 0.000 1.240 444 L HN 1.290 nan 8.230 nan 0.000 0.461 445 A N 1.640 124.543 122.820 0.138 0.000 2.318 445 A HA 0.720 5.040 4.320 0.001 0.000 0.324 445 A C -1.307 176.272 177.584 -0.009 0.000 1.170 445 A CA -0.364 51.730 52.037 0.096 0.000 0.810 445 A CB 1.146 20.154 19.000 0.013 0.000 1.198 445 A HN 0.457 nan 8.150 nan 0.000 0.484 446 L N 3.726 124.897 121.223 -0.086 0.000 2.349 446 L HA 0.724 5.064 4.340 0.001 0.000 0.278 446 L C -1.219 175.570 176.870 -0.134 0.000 0.996 446 L CA -0.255 54.472 54.840 -0.188 0.000 0.825 446 L CB 0.929 42.655 42.059 -0.556 0.000 1.243 446 L HN 0.585 nan 8.230 nan 0.000 0.412 447 I N 5.902 126.435 120.570 -0.062 0.000 2.503 447 I HA 0.423 4.593 4.170 0.001 0.000 0.282 447 I C -1.194 174.959 176.117 0.060 0.000 1.059 447 I CA -0.531 60.739 61.300 -0.051 0.000 1.081 447 I CB 1.286 39.245 38.000 -0.068 0.000 1.210 447 I HN 0.841 nan 8.210 nan 0.000 0.450 448 H N 1.927 120.964 119.070 -0.056 0.000 3.037 448 H HA 0.515 5.071 4.556 0.001 0.000 0.355 448 H C -0.545 174.820 175.328 0.062 0.000 1.263 448 H CA -0.931 55.113 56.048 -0.007 0.000 1.129 448 H CB 0.823 30.610 29.762 0.043 0.000 1.861 448 H HN 0.504 nan 8.280 nan 0.000 0.546 449 H N -0.504 118.547 119.070 -0.033 0.000 2.713 449 H HA -0.153 4.404 4.556 0.001 0.000 0.311 449 H C -0.920 174.329 175.328 -0.133 0.000 1.175 449 H CA 0.916 56.920 56.048 -0.074 0.000 1.143 449 H CB -1.562 28.168 29.762 -0.053 0.000 1.434 449 H HN 0.666 nan 8.280 nan 0.000 0.418 450 N N 0.313 118.971 118.700 -0.069 0.000 2.800 450 N HA 0.088 4.829 4.740 0.001 0.000 0.240 450 N C 0.807 176.272 175.510 -0.075 0.000 1.096 450 N CA 0.191 53.203 53.050 -0.063 0.000 0.877 450 N CB 1.265 39.719 38.487 -0.054 0.000 1.138 450 N HN 0.261 nan 8.380 nan 0.000 0.509 451 T N 0.028 114.493 114.554 -0.147 0.000 2.685 451 T HA -0.171 4.180 4.350 0.001 0.000 0.268 451 T C 0.949 175.483 174.700 -0.276 0.000 1.034 451 T CA 1.388 63.323 62.100 -0.274 0.000 1.149 451 T CB -0.119 68.465 68.868 -0.473 0.000 0.860 451 T HN 0.547 nan 8.240 nan 0.000 0.449 452 H N -0.375 118.711 119.070 0.026 0.000 2.517 452 H HA 0.350 4.907 4.556 0.001 0.000 0.282 452 H C 0.102 175.480 175.328 0.083 0.000 1.023 452 H CA -0.436 55.642 56.048 0.051 0.000 1.169 452 H CB -0.193 29.593 29.762 0.040 0.000 1.454 452 H HN 0.215 nan 8.280 nan 0.000 0.556 453 L N 1.461 122.768 121.223 0.140 0.000 2.313 453 L HA 0.172 4.513 4.340 0.001 0.000 0.282 453 L C -0.149 176.839 176.870 0.198 0.000 1.092 453 L CA 0.137 55.075 54.840 0.163 0.000 0.831 453 L CB 0.104 42.221 42.059 0.096 0.000 1.159 453 L HN 0.115 nan 8.230 nan 0.000 0.442 454 c N 2.991 121.782 118.600 0.317 0.000 2.924 454 c HA 0.501 5.072 4.570 0.001 0.000 0.399 454 c C 0.110 174.423 174.090 0.372 0.000 1.795 454 c CA -0.698 55.786 56.329 0.259 0.000 1.685 454 c CB 0.798 43.420 42.510 0.187 0.000 2.218 454 c HN 0.834 nan 8.230 nan 0.000 0.474 455 F N -0.211 119.813 119.950 0.124 0.000 3.067 455 F HA -0.178 4.350 4.527 0.001 0.000 0.279 455 F C 0.842 176.646 175.800 0.006 0.000 0.945 455 F CA 0.485 58.481 58.000 -0.007 0.000 0.948 455 F CB -1.757 37.288 39.000 0.073 0.000 0.898 455 F HN 0.299 nan 8.300 nan 0.000 0.746 456 V N -0.697 119.300 119.914 0.139 0.000 2.788 456 V HA -0.117 4.003 4.120 0.001 0.000 0.241 456 V C 2.400 178.592 176.094 0.163 0.000 1.083 456 V CA 1.581 64.011 62.300 0.217 0.000 1.103 456 V CB -0.361 31.564 31.823 0.170 0.000 0.800 456 V HN 0.667 nan 8.190 nan 0.000 0.476 457 H N 0.879 119.940 119.070 -0.016 0.000 2.524 457 H HA -0.038 4.519 4.556 0.001 0.000 0.282 457 H C 1.949 177.219 175.328 -0.098 0.000 1.016 457 H CA 1.630 57.647 56.048 -0.053 0.000 1.270 457 H CB -0.703 29.010 29.762 -0.082 0.000 1.394 457 H HN 0.546 nan 8.280 nan 0.000 0.568 458 T N -1.053 113.143 114.554 -0.597 0.000 3.113 458 T HA 0.175 4.526 4.350 0.001 0.000 0.256 458 T C 0.783 175.185 174.700 -0.497 0.000 1.131 458 T CA -0.098 61.714 62.100 -0.480 0.000 1.074 458 T CB -0.439 68.193 68.868 -0.393 0.000 0.944 458 T HN 0.054 nan 8.240 nan 0.000 0.516 459 V N 4.518 124.035 119.914 -0.661 0.000 2.465 459 V HA 0.339 4.460 4.120 0.001 0.000 0.279 459 V C -1.927 173.500 176.094 -1.112 0.000 1.045 459 V CA -2.119 59.467 62.300 -1.190 0.000 0.938 459 V CB 1.362 32.059 31.823 -1.878 0.000 0.986 459 V HN 0.246 nan 8.190 nan 0.000 0.467 460 P HA 0.063 nan 4.420 nan 0.000 0.226 460 P C 0.515 177.465 177.300 -0.583 0.000 1.783 460 P CA -0.183 62.442 63.100 -0.792 0.000 0.980 460 P CB -0.135 31.081 31.700 -0.806 0.000 1.967 461 W N 1.014 122.068 121.300 -0.409 0.000 2.292 461 W HA -0.204 4.456 4.660 0.001 0.000 0.304 461 W C 1.772 177.909 176.519 -0.636 0.000 1.228 461 W CA 1.134 58.183 57.345 -0.494 0.000 1.241 461 W CB -1.055 28.214 29.460 -0.318 0.000 1.142 461 W HN 0.189 nan 8.180 nan 0.000 0.520 462 D N -0.355 119.999 120.400 -0.077 0.000 2.182 462 D HA -0.199 4.442 4.640 0.001 0.000 0.201 462 D C 1.946 178.207 176.300 -0.065 0.000 0.986 462 D CA 1.389 55.405 54.000 0.026 0.000 0.847 462 D CB -0.618 40.230 40.800 0.080 0.000 0.942 462 D HN 0.410 nan 8.370 nan 0.000 0.467 463 Q N -0.182 119.530 119.800 -0.146 0.000 2.119 463 Q HA -0.040 4.300 4.340 0.001 0.000 0.201 463 Q C 2.427 178.360 176.000 -0.112 0.000 0.972 463 Q CA 0.634 56.371 55.803 -0.110 0.000 0.847 463 Q CB 0.020 28.682 28.738 -0.128 0.000 0.903 463 Q HN 0.354 nan 8.270 nan 0.000 0.433 464 L N -0.250 120.837 121.223 -0.227 0.000 2.156 464 L HA -0.027 4.313 4.340 0.001 0.000 0.208 464 L C 0.520 177.365 176.870 -0.041 0.000 1.095 464 L CA 0.050 54.793 54.840 -0.161 0.000 0.770 464 L CB -0.311 41.633 42.059 -0.192 0.000 0.914 464 L HN 0.065 nan 8.230 nan 0.000 0.439 465 F N 0.078 120.093 119.950 0.109 0.000 2.440 465 F HA 0.182 4.709 4.527 0.001 0.000 0.323 465 F C 1.499 177.323 175.800 0.041 0.000 1.192 465 F CA -0.305 57.747 58.000 0.086 0.000 1.252 465 F CB 0.189 39.230 39.000 0.069 0.000 1.214 465 F HN -0.143 nan 8.300 nan 0.000 0.578 466 R N 0.287 120.939 120.500 0.254 0.000 2.541 466 R HA 0.160 4.501 4.340 0.001 0.000 0.332 466 R C -0.869 175.439 176.300 0.013 0.000 0.951 466 R CA -0.197 55.937 56.100 0.057 0.000 1.136 466 R CB -0.329 29.997 30.300 0.045 0.000 1.449 466 R HN 0.851 nan 8.270 nan 0.000 0.531 467 N N -1.545 117.199 118.700 0.073 0.000 2.494 467 N HA 0.319 5.060 4.740 0.001 0.000 0.270 467 N C -2.604 172.891 175.510 -0.025 0.000 1.285 467 N CA -1.353 51.718 53.050 0.034 0.000 0.812 467 N CB 1.834 40.386 38.487 0.109 0.000 1.557 467 N HN -0.383 nan 8.380 nan 0.000 0.487 468 P HA -0.121 nan 4.420 nan 0.000 0.221 468 P C 0.183 177.327 177.300 -0.260 0.000 1.145 468 P CA 1.133 64.111 63.100 -0.203 0.000 0.795 468 P CB -0.032 31.490 31.700 -0.296 0.000 0.775 469 H N -1.357 117.675 119.070 -0.064 0.000 2.539 469 H HA 0.193 4.749 4.556 0.001 0.000 0.267 469 H C 0.666 175.857 175.328 -0.228 0.000 0.982 469 H CA 0.427 56.410 56.048 -0.109 0.000 1.146 469 H CB 0.038 29.738 29.762 -0.103 0.000 1.382 469 H HN 0.369 nan 8.280 nan 0.000 0.577 470 Q N 0.141 119.789 119.800 -0.253 0.000 2.214 470 Q HA 0.683 5.024 4.340 0.001 0.000 0.251 470 Q C -0.535 174.833 176.000 -1.055 0.000 0.936 470 Q CA -0.690 54.724 55.803 -0.649 0.000 0.894 470 Q CB 2.656 30.957 28.738 -0.727 0.000 1.252 470 Q HN 0.267 nan 8.270 nan 0.000 0.448 471 A N 1.116 123.149 122.820 -1.310 0.000 2.544 471 A HA 0.526 4.846 4.320 0.001 0.000 0.291 471 A C -2.222 175.098 177.584 -0.440 0.000 1.055 471 A CA -0.700 50.779 52.037 -0.931 0.000 0.651 471 A CB 0.883 19.318 19.000 -0.940 0.000 1.296 471 A HN 0.516 nan 8.150 nan 0.000 0.431 472 L N 0.934 122.118 121.223 -0.066 0.000 2.282 472 L HA 0.739 5.080 4.340 0.001 0.000 0.288 472 L C -1.187 175.644 176.870 -0.066 0.000 1.033 472 L CA -0.266 54.512 54.840 -0.103 0.000 0.807 472 L CB 0.742 42.555 42.059 -0.410 0.000 1.209 472 L HN 0.552 nan 8.230 nan 0.000 0.423 473 L N 6.135 127.315 121.223 -0.072 0.000 2.282 473 L HA 0.569 4.910 4.340 0.001 0.000 0.288 473 L C -1.011 175.836 176.870 -0.039 0.000 1.033 473 L CA -0.752 54.045 54.840 -0.072 0.000 0.807 473 L CB 1.096 43.134 42.059 -0.035 0.000 1.209 473 L HN 0.843 nan 8.230 nan 0.000 0.423 474 H N -0.039 118.980 119.070 -0.085 0.000 3.038 474 H HA 0.780 5.337 4.556 0.001 0.000 0.362 474 H C -1.052 174.254 175.328 -0.037 0.000 1.167 474 H CA -0.764 55.247 56.048 -0.062 0.000 1.197 474 H CB 2.215 31.921 29.762 -0.095 0.000 1.840 474 H HN 0.416 nan 8.280 nan 0.000 0.540 475 T N 1.444 116.009 114.554 0.019 0.000 2.893 475 T HA 0.482 4.833 4.350 0.001 0.000 0.337 475 T C -0.506 174.140 174.700 -0.090 0.000 1.587 475 T CA 0.346 62.415 62.100 -0.051 0.000 1.066 475 T CB 0.580 69.386 68.868 -0.103 0.000 1.414 475 T HN 1.912 nan 8.240 nan 0.000 0.488 476 A N 2.291 125.013 122.820 -0.164 0.000 2.872 476 A HA -0.142 4.179 4.320 0.001 0.000 0.273 476 A C 0.360 177.817 177.584 -0.212 0.000 1.442 476 A CA 1.289 53.142 52.037 -0.307 0.000 0.801 476 A CB -2.444 16.034 19.000 -0.869 0.000 1.031 476 A HN 0.762 nan 8.150 nan 0.000 0.582 477 N N -0.730 117.920 118.700 -0.083 0.000 2.604 477 N HA 0.373 5.113 4.740 0.001 0.000 0.297 477 N C 0.388 175.878 175.510 -0.034 0.000 1.266 477 N CA -0.727 52.297 53.050 -0.043 0.000 0.961 477 N CB 0.386 38.883 38.487 0.016 0.000 1.166 477 N HN 0.550 nan 8.380 nan 0.000 0.601 478 R N 1.056 121.553 120.500 -0.004 0.000 2.484 478 R HA 0.105 4.446 4.340 0.001 0.000 0.293 478 R C -2.141 174.159 176.300 -0.000 0.000 1.023 478 R CA -0.795 55.308 56.100 0.004 0.000 1.037 478 R CB -0.113 30.220 30.300 0.056 0.000 0.951 478 R HN 0.289 nan 8.270 nan 0.000 0.418 479 P HA -0.060 nan 4.420 nan 0.000 0.264 479 P C -0.288 176.979 177.300 -0.056 0.000 1.183 479 P CA 0.301 63.381 63.100 -0.034 0.000 0.763 479 P CB 0.615 32.297 31.700 -0.031 0.000 0.807 480 E N 1.298 121.432 120.200 -0.111 0.000 2.160 480 E HA -0.206 4.144 4.350 0.001 0.000 0.195 480 E C 1.017 177.524 176.600 -0.154 0.000 0.991 480 E CA 1.092 57.362 56.400 -0.217 0.000 0.810 480 E CB -0.098 29.364 29.700 -0.397 0.000 0.742 480 E HN 0.527 nan 8.360 nan 0.000 0.466 481 D N 0.408 120.748 120.400 -0.100 0.000 2.178 481 D HA -0.119 4.522 4.640 0.001 0.000 0.202 481 D C 1.731 178.006 176.300 -0.042 0.000 0.974 481 D CA 0.731 54.690 54.000 -0.068 0.000 0.841 481 D CB 0.079 40.850 40.800 -0.049 0.000 0.953 481 D HN 0.132 nan 8.370 nan 0.000 0.478 482 E N 0.311 120.493 120.200 -0.030 0.000 2.107 482 E HA -0.072 4.279 4.350 0.001 0.000 0.191 482 E C 2.417 179.020 176.600 0.004 0.000 0.982 482 E CA 0.201 56.599 56.400 -0.004 0.000 0.809 482 E CB -0.433 29.273 29.700 0.010 0.000 0.756 482 E HN 0.284 nan 8.360 nan 0.000 0.459 483 c N 0.469 119.064 118.600 -0.009 0.000 2.442 483 c HA -0.098 4.473 4.570 0.001 0.000 0.279 483 c C 2.852 176.927 174.090 -0.025 0.000 1.237 483 c CA 0.629 56.953 56.329 -0.010 0.000 1.722 483 c CB -1.059 41.427 42.510 -0.040 0.000 2.056 483 c HN 0.181 nan 8.230 nan 0.000 0.469 484 V N 1.500 121.388 119.914 -0.044 0.000 2.392 484 V HA -0.120 4.000 4.120 0.001 0.000 0.249 484 V C 2.649 178.732 176.094 -0.020 0.000 1.059 484 V CA 2.358 64.636 62.300 -0.036 0.000 1.051 484 V CB -1.574 30.221 31.823 -0.046 0.000 0.658 484 V HN 0.718 nan 8.190 nan 0.000 0.455 485 G N -0.914 107.876 108.800 -0.016 0.000 2.440 485 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 485 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 485 G C 1.483 176.386 174.900 0.006 0.000 1.154 485 G CA 0.837 45.933 45.100 -0.006 0.000 0.767 485 G HN 0.561 nan 8.290 nan 0.000 0.552 486 E N -0.045 120.165 120.200 0.016 0.000 2.511 486 E HA 0.195 4.545 4.350 0.001 0.000 0.196 486 E C 1.784 178.400 176.600 0.026 0.000 1.066 486 E CA 0.361 56.779 56.400 0.031 0.000 0.871 486 E CB -0.255 29.478 29.700 0.055 0.000 0.863 486 E HN 0.403 nan 8.360 nan 0.000 0.520 487 G N 0.808 109.614 108.800 0.011 0.000 2.157 487 G HA2 -0.273 3.687 3.960 0.001 0.000 0.248 487 G HA3 -0.273 3.687 3.960 0.001 0.000 0.248 487 G C 0.153 175.060 174.900 0.011 0.000 0.979 487 G CA 0.225 45.328 45.100 0.005 0.000 0.650 487 G HN 0.198 nan 8.290 nan 0.000 0.529 488 L N 0.446 121.680 121.223 0.018 0.000 2.426 488 L HA 0.598 4.939 4.340 0.001 0.000 0.271 488 L C 0.765 177.590 176.870 -0.076 0.000 1.169 488 L CA 0.554 55.415 54.840 0.035 0.000 0.836 488 L CB 1.206 43.297 42.059 0.054 0.000 1.112 488 L HN 0.783 nan 8.230 nan 0.000 0.465 489 A N 1.943 124.763 122.820 -0.000 0.000 2.490 489 A HA 0.399 4.719 4.320 0.001 0.000 0.292 489 A C -1.122 176.555 177.584 0.156 0.000 1.047 489 A CA -0.716 51.291 52.037 -0.051 0.000 0.632 489 A CB 0.151 19.129 19.000 -0.036 0.000 1.323 489 A HN 0.606 nan 8.150 nan 0.000 0.448 490 c N 1.805 120.466 118.600 0.102 0.000 2.679 490 c HA 0.370 4.940 4.570 0.001 0.000 0.417 490 c C 1.025 175.172 174.090 0.095 0.000 1.302 490 c CA 0.043 56.451 56.329 0.132 0.000 1.973 490 c CB -0.845 41.698 42.510 0.055 0.000 2.715 490 c HN 0.801 nan 8.230 nan 0.000 0.628 491 H N 2.702 121.771 119.070 -0.002 0.000 2.972 491 H HA -0.042 4.515 4.556 0.001 0.000 0.343 491 H C 1.214 176.525 175.328 -0.027 0.000 1.054 491 H CA 0.747 56.780 56.048 -0.025 0.000 1.412 491 H CB 0.596 30.329 29.762 -0.048 0.000 1.385 491 H HN 0.726 nan 8.280 nan 0.000 0.600 492 Q N 4.026 123.841 119.800 0.025 0.000 2.217 492 Q HA -0.158 4.182 4.340 0.001 0.000 0.209 492 Q C 2.007 178.116 176.000 0.182 0.000 0.988 492 Q CA 1.990 57.837 55.803 0.075 0.000 0.878 492 Q CB -0.566 28.156 28.738 -0.028 0.000 0.909 492 Q HN 0.697 nan 8.270 nan 0.000 0.424 493 L N -0.927 120.534 121.223 0.397 0.000 2.599 493 L HA 0.085 4.425 4.340 0.001 0.000 0.230 493 L C 1.438 178.318 176.870 0.015 0.000 1.141 493 L CA 0.632 55.532 54.840 0.100 0.000 0.877 493 L CB -1.247 40.769 42.059 -0.071 0.000 1.009 493 L HN 0.176 nan 8.230 nan 0.000 0.447 494 c N 1.028 119.654 118.600 0.043 0.000 2.383 494 c HA 0.533 5.104 4.570 0.001 0.000 0.350 494 c C 2.432 176.494 174.090 -0.046 0.000 1.173 494 c CA -0.188 56.135 56.329 -0.010 0.000 1.645 494 c CB -0.909 41.605 42.510 0.007 0.000 2.221 494 c HN 0.803 nan 8.230 nan 0.000 0.528 495 A N 4.252 127.035 122.820 -0.062 0.000 1.879 495 A HA -0.272 4.048 4.320 0.001 0.000 0.222 495 A C 1.910 179.411 177.584 -0.139 0.000 1.368 495 A CA 1.830 53.816 52.037 -0.085 0.000 0.707 495 A CB -0.309 18.643 19.000 -0.079 0.000 0.846 495 A HN 0.829 nan 8.150 nan 0.000 0.468 496 K N -1.287 118.970 120.400 -0.240 0.000 2.675 496 K HA 0.336 4.656 4.320 0.001 0.000 0.213 496 K C 0.788 177.071 176.600 -0.527 0.000 1.074 496 K CA 0.489 56.534 56.287 -0.403 0.000 1.172 496 K CB -0.355 31.814 32.500 -0.553 0.000 0.927 496 K HN 0.910 nan 8.250 nan 0.000 0.471 497 G N 1.181 109.824 108.800 -0.262 0.000 2.168 497 G HA2 -0.290 3.671 3.960 0.001 0.000 0.263 497 G HA3 -0.290 3.671 3.960 0.001 0.000 0.263 497 G C -0.359 174.516 174.900 -0.041 0.000 0.977 497 G CA 0.238 45.255 45.100 -0.138 0.000 0.659 497 G HN 0.617 nan 8.290 nan 0.000 0.533 498 H N -0.272 118.722 119.070 -0.127 0.000 2.467 498 H HA 0.592 5.149 4.556 0.001 0.000 0.326 498 H C 0.659 175.869 175.328 -0.196 0.000 1.094 498 H CA -0.455 55.469 56.048 -0.206 0.000 1.253 498 H CB 1.348 30.972 29.762 -0.230 0.000 1.439 498 H HN 0.788 nan 8.280 nan 0.000 0.479 499 c N 1.053 119.570 118.600 -0.138 0.000 3.312 499 c HA 0.240 4.811 4.570 0.001 0.000 0.332 499 c C -0.479 173.468 174.090 -0.239 0.000 1.340 499 c CA -1.063 55.196 56.329 -0.116 0.000 1.265 499 c CB 0.200 42.718 42.510 0.013 0.000 1.563 499 c HN 1.072 nan 8.230 nan 0.000 0.471 500 W N 1.349 122.606 121.300 -0.072 0.000 3.220 500 W HA 0.547 5.208 4.660 0.001 0.000 0.328 500 W C 1.147 177.613 176.519 -0.088 0.000 1.205 500 W CA 0.894 58.207 57.345 -0.055 0.000 1.773 500 W CB 0.695 30.116 29.460 -0.064 0.000 1.086 500 W HN 1.329 nan 8.180 nan 0.000 0.622 501 G N -1.506 107.179 108.800 -0.191 0.000 2.427 501 G HA2 0.183 4.144 3.960 0.001 0.000 0.306 501 G HA3 0.183 4.144 3.960 0.001 0.000 0.306 501 G C -2.557 171.559 174.900 -1.306 0.000 1.280 501 G CA -0.724 43.733 45.100 -1.071 0.000 0.837 501 G HN -0.418 nan 8.290 nan 0.000 0.482 502 P HA 0.098 nan 4.420 nan 0.000 0.208 502 P C 1.666 178.749 177.300 -0.361 0.000 1.200 502 P CA 1.584 64.197 63.100 -0.812 0.000 0.924 502 P CB -0.281 30.875 31.700 -0.905 0.000 0.774 503 G N 0.208 108.788 108.800 -0.367 0.000 2.680 503 G HA2 -0.024 3.936 3.960 0.001 0.000 0.274 503 G HA3 -0.024 3.936 3.960 0.001 0.000 0.274 503 G C -1.658 173.200 174.900 -0.069 0.000 1.292 503 G CA -0.260 44.757 45.100 -0.139 0.000 1.007 503 G HN 0.135 nan 8.290 nan 0.000 0.578 504 P HA 0.095 nan 4.420 nan 0.000 0.235 504 P C 1.694 178.891 177.300 -0.171 0.000 1.177 504 P CA 0.876 63.792 63.100 -0.307 0.000 0.785 504 P CB 0.337 31.747 31.700 -0.484 0.000 0.885 505 T N -0.416 114.068 114.554 -0.117 0.000 3.035 505 T HA -0.062 4.288 4.350 0.001 0.000 0.268 505 T C 1.407 176.082 174.700 -0.042 0.000 1.109 505 T CA 0.991 63.046 62.100 -0.074 0.000 1.119 505 T CB -0.363 68.470 68.868 -0.058 0.000 0.900 505 T HN 0.149 nan 8.240 nan 0.000 0.503 506 Q N 0.200 119.970 119.800 -0.050 0.000 2.360 506 Q HA 0.182 4.522 4.340 0.001 0.000 0.202 506 Q C 0.994 177.043 176.000 0.083 0.000 0.915 506 Q CA -0.053 55.764 55.803 0.024 0.000 0.943 506 Q CB -0.615 28.080 28.738 -0.071 0.000 1.064 506 Q HN 0.503 nan 8.270 nan 0.000 0.511 507 c N 0.681 119.295 118.600 0.023 0.000 2.758 507 c HA 0.316 4.887 4.570 0.001 0.000 0.371 507 c C 0.988 175.119 174.090 0.069 0.000 1.342 507 c CA -0.503 55.839 56.329 0.021 0.000 2.257 507 c CB 0.240 42.737 42.510 -0.020 0.000 2.621 507 c HN 0.106 nan 8.230 nan 0.000 0.730 508 V N 0.473 120.410 119.914 0.039 0.000 3.040 508 V HA 0.444 4.565 4.120 0.001 0.000 0.312 508 V C 0.179 176.295 176.094 0.036 0.000 1.115 508 V CA -0.543 61.793 62.300 0.061 0.000 0.998 508 V CB 1.697 33.520 31.823 0.001 0.000 1.042 508 V HN 0.968 nan 8.190 nan 0.000 0.433 509 N N 2.094 120.818 118.700 0.040 0.000 2.684 509 N HA -0.105 4.636 4.740 0.001 0.000 0.284 509 N C -0.127 175.383 175.510 -0.001 0.000 1.067 509 N CA 2.461 55.524 53.050 0.022 0.000 0.791 509 N CB -1.764 36.743 38.487 0.032 0.000 0.934 509 N HN 2.371 nan 8.380 nan 0.000 0.566 510 D N 0.000 120.396 120.400 -0.006 0.000 6.856 510 D HA 0.000 4.641 4.640 0.001 0.000 0.175 510 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 510 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 510 D HN 0.000 nan 8.370 nan 0.000 0.683