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 2xxd_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASQRAK DATA SEQUENCE KVTFDRTQVL DAHYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDP QTPIPTTIMA KNEVFCVDPA DATA SEQUENCE KGGKKPARLI VYPDLGVRVC EKMALYDITQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEYLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQTCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVCGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITSCSSNV SVALGPRGRR RYYLTRDPTT PLARAAWETV DATA SEQUENCE RHSPINSWLG NIIQYAPTIW VRMVLMTHFF SILMVQDTLD QNLNFEMYGS DATA SEQUENCE VYSVNPLDLP AIIERLHGLD AFSMHTYSHH ELTRVASALR KLGAPPLRVW DATA SEQUENCE KSRARAVRAS LISRGGKAAV CGRYLFNWAV KTKLKLTPLP EARLLDLSSW DATA SEQUENCE FTVGAGGGDI FHS 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 0.000 174.572 174.600 -0.046 0.000 1.055 1 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.056 0.000 0.593 2 M N 3.285 122.854 119.600 -0.053 0.000 2.217 2 M HA 0.277 4.759 4.480 0.004 0.000 0.354 2 M C 1.937 178.135 176.300 -0.169 0.000 1.225 2 M CA -0.166 55.094 55.300 -0.066 0.000 1.137 2 M CB 0.587 33.175 32.600 -0.020 0.000 1.576 2 M HN 1.074 nan 8.290 nan 0.000 0.461 3 S N 2.720 118.254 115.700 -0.276 0.000 2.370 3 S HA -0.116 4.356 4.470 0.004 0.000 0.226 3 S C 0.160 174.344 174.600 -0.694 0.000 1.033 3 S CA 1.061 58.962 58.200 -0.499 0.000 1.011 3 S CB -0.263 62.558 63.200 -0.632 0.000 0.852 3 S HN 0.644 nan 8.310 nan 0.000 0.457 4 Y N 0.845 121.028 120.300 -0.196 0.000 2.553 4 Y HA 0.612 5.164 4.550 0.003 0.000 0.347 4 Y C 0.009 175.678 175.900 -0.386 0.000 1.019 4 Y CA -0.856 57.023 58.100 -0.368 0.000 1.032 4 Y CB 2.046 40.170 38.460 -0.559 0.000 1.284 4 Y HN 0.244 nan 8.280 nan 0.000 0.466 5 S N -0.017 115.473 115.700 -0.350 0.000 2.607 5 S HA 0.804 5.276 4.470 0.004 0.000 0.303 5 S C -1.647 172.596 174.600 -0.596 0.000 1.086 5 S CA -0.761 57.257 58.200 -0.304 0.000 0.995 5 S CB 1.427 64.558 63.200 -0.115 0.000 1.084 5 S HN 0.585 nan 8.310 nan 0.000 0.507 6 W N 0.119 121.446 121.300 0.045 0.000 2.915 6 W HA 0.473 5.136 4.660 0.004 0.000 0.337 6 W C 1.266 177.785 176.519 -0.001 0.000 1.102 6 W CA -0.443 56.910 57.345 0.013 0.000 1.224 6 W CB 1.995 31.454 29.460 -0.001 0.000 1.416 6 W HN 0.884 nan 8.180 nan 0.000 0.503 7 T N -2.195 112.485 114.554 0.210 0.000 3.035 7 T HA 0.304 4.656 4.350 0.004 0.000 0.259 7 T C 1.462 176.229 174.700 0.112 0.000 1.078 7 T CA 1.122 63.290 62.100 0.112 0.000 1.132 7 T CB -0.052 68.849 68.868 0.055 0.000 0.900 7 T HN 1.280 nan 8.240 nan 0.000 0.480 8 G N 1.241 110.125 108.800 0.140 0.000 2.253 8 G HA2 0.051 4.013 3.960 0.004 0.000 0.209 8 G HA3 0.051 4.013 3.960 0.004 0.000 0.209 8 G C 0.379 175.310 174.900 0.051 0.000 0.997 8 G CA -0.137 45.008 45.100 0.075 0.000 0.640 8 G HN 1.102 nan 8.290 nan 0.000 0.496 9 A N 1.083 123.944 122.820 0.067 0.000 2.531 9 A HA 0.577 4.899 4.320 0.004 0.000 0.236 9 A C 0.644 178.254 177.584 0.044 0.000 1.062 9 A CA 0.326 52.395 52.037 0.053 0.000 0.760 9 A CB 0.238 19.272 19.000 0.058 0.000 0.995 9 A HN 0.900 nan 8.150 nan 0.000 0.501 10 L N 1.721 122.958 121.223 0.024 0.000 2.464 10 L HA 0.229 4.571 4.340 0.004 0.000 0.264 10 L C 0.526 177.407 176.870 0.019 0.000 1.199 10 L CA 0.318 55.160 54.840 0.003 0.000 0.818 10 L CB 0.318 42.377 42.059 0.001 0.000 1.102 10 L HN 0.556 nan 8.230 nan 0.000 0.473 11 I N 1.432 122.001 120.570 -0.002 0.000 2.322 11 I HA 0.179 4.351 4.170 0.004 0.000 0.292 11 I C 0.215 176.346 176.117 0.023 0.000 1.060 11 I CA -0.194 61.118 61.300 0.020 0.000 1.309 11 I CB 0.470 38.471 38.000 0.001 0.000 1.415 11 I HN 0.659 nan 8.210 nan 0.000 0.492 12 T N 4.402 118.979 114.554 0.038 0.000 2.895 12 T HA 0.588 4.941 4.350 0.004 0.000 0.283 12 T C -2.610 172.117 174.700 0.045 0.000 1.014 12 T CA -2.295 59.827 62.100 0.037 0.000 1.037 12 T CB 1.625 70.516 68.868 0.037 0.000 1.006 12 T HN 0.160 nan 8.240 nan 0.000 0.468 13 P HA 0.283 nan 4.420 nan 0.000 0.275 13 P C 0.511 177.840 177.300 0.048 0.000 1.228 13 P CA -0.853 62.278 63.100 0.050 0.000 0.786 13 P CB 0.294 32.023 31.700 0.048 0.000 0.927 14 C N 0.075 119.407 119.300 0.054 0.000 2.470 14 C HA 0.686 5.148 4.460 0.004 0.000 0.311 14 C C -0.145 174.871 174.990 0.043 0.000 1.387 14 C CA -0.565 58.481 59.018 0.047 0.000 1.783 14 C CB -2.004 25.770 27.740 0.057 0.000 2.416 14 C HN 0.630 nan 8.230 nan 0.000 0.558 15 S N -2.334 113.393 115.700 0.044 0.000 2.744 15 S HA 0.429 4.901 4.470 0.004 0.000 0.284 15 S C -3.462 171.169 174.600 0.051 0.000 0.979 15 S CA -0.736 57.491 58.200 0.045 0.000 0.870 15 S CB -0.781 62.447 63.200 0.047 0.000 1.094 15 S HN 0.129 nan 8.310 nan 0.000 0.458 16 P HA 0.335 nan 4.420 nan 0.000 0.266 16 P C -0.755 176.591 177.300 0.077 0.000 1.193 16 P CA 0.208 63.343 63.100 0.058 0.000 0.770 16 P CB 0.214 31.946 31.700 0.053 0.000 0.836 17 E N 1.210 121.462 120.200 0.086 0.000 2.234 17 E HA 0.248 4.600 4.350 0.004 0.000 0.266 17 E C -0.760 175.925 176.600 0.143 0.000 0.877 17 E CA -0.658 55.809 56.400 0.111 0.000 0.758 17 E CB 1.698 31.454 29.700 0.093 0.000 1.170 17 E HN 0.415 nan 8.360 nan 0.000 0.415 18 E N 2.025 122.354 120.200 0.215 0.000 2.197 18 E HA 0.115 4.467 4.350 0.004 0.000 0.281 18 E C 0.059 176.869 176.600 0.350 0.000 0.995 18 E CA -0.157 56.410 56.400 0.278 0.000 0.808 18 E CB 1.436 31.341 29.700 0.341 0.000 1.093 18 E HN 0.506 nan 8.360 nan 0.000 0.394 19 E N 1.922 122.297 120.200 0.292 0.000 2.276 19 E HA 0.027 4.379 4.350 0.004 0.000 0.193 19 E C -0.214 176.632 176.600 0.410 0.000 0.983 19 E CA 0.583 57.158 56.400 0.291 0.000 0.861 19 E CB 0.451 30.270 29.700 0.199 0.000 0.817 19 E HN 0.233 nan 8.360 nan 0.000 0.485 20 K N 1.266 121.910 120.400 0.407 0.000 2.259 20 K HA 0.301 4.623 4.320 0.004 0.000 0.252 20 K C -0.894 175.886 176.600 0.299 0.000 0.936 20 K CA -0.957 55.549 56.287 0.365 0.000 0.810 20 K CB 2.240 34.873 32.500 0.222 0.000 1.143 20 K HN -0.114 nan 8.250 nan 0.000 0.427 21 L N 5.382 126.806 121.223 0.334 0.000 2.477 21 L HA 0.150 4.492 4.340 0.004 0.000 0.272 21 L C -2.203 174.616 176.870 -0.087 0.000 1.157 21 L CA -1.092 53.767 54.840 0.031 0.000 0.889 21 L CB -0.039 42.169 42.059 0.248 0.000 1.158 21 L HN 0.449 nan 8.230 nan 0.000 0.473 22 P HA 0.155 nan 4.420 nan 0.000 0.271 22 P C -0.553 176.593 177.300 -0.258 0.000 1.218 22 P CA -0.182 62.770 63.100 -0.246 0.000 0.780 22 P CB 0.663 32.193 31.700 -0.283 0.000 0.901 23 I N 2.571 122.959 120.570 -0.303 0.000 2.575 23 I HA 0.294 4.466 4.170 0.004 0.000 0.285 23 I C 0.954 176.961 176.117 -0.182 0.000 1.085 23 I CA 0.488 61.599 61.300 -0.314 0.000 1.403 23 I CB -0.015 37.774 38.000 -0.353 0.000 1.409 23 I HN 0.406 nan 8.210 nan 0.000 0.557 24 N N 6.478 125.098 118.700 -0.133 0.000 3.126 24 N HA 0.133 4.875 4.740 0.004 0.000 0.233 24 N C -2.618 172.855 175.510 -0.062 0.000 1.069 24 N CA -0.953 52.039 53.050 -0.097 0.000 1.071 24 N CB 2.180 40.600 38.487 -0.112 0.000 1.683 24 N HN 0.044 nan 8.380 nan 0.000 0.586 25 P HA -0.018 nan 4.420 nan 0.000 0.218 25 P C 1.528 178.819 177.300 -0.016 0.000 1.148 25 P CA 1.043 64.124 63.100 -0.032 0.000 0.822 25 P CB 0.447 32.128 31.700 -0.033 0.000 0.784 26 L N -0.698 120.516 121.223 -0.015 0.000 2.044 26 L HA -0.126 4.216 4.340 0.004 0.000 0.205 26 L C 2.569 179.488 176.870 0.083 0.000 1.075 26 L CA 1.981 56.832 54.840 0.018 0.000 0.747 26 L CB -1.322 40.729 42.059 -0.012 0.000 0.903 26 L HN 0.077 nan 8.230 nan 0.000 0.435 27 S N -0.590 115.129 115.700 0.031 0.000 2.387 27 S HA -0.159 4.313 4.470 0.004 0.000 0.226 27 S C 1.758 176.360 174.600 0.004 0.000 1.026 27 S CA 1.252 59.465 58.200 0.021 0.000 0.972 27 S CB -0.649 62.547 63.200 -0.007 0.000 0.814 27 S HN 0.344 nan 8.310 nan 0.000 0.477 28 N N 1.824 120.525 118.700 0.002 0.000 2.289 28 N HA -0.014 4.728 4.740 0.004 0.000 0.184 28 N C 1.500 177.006 175.510 -0.006 0.000 1.016 28 N CA 1.317 54.371 53.050 0.007 0.000 0.872 28 N CB -0.468 38.019 38.487 0.000 0.000 0.973 28 N HN 0.450 nan 8.380 nan 0.000 0.433 29 S N -0.381 115.321 115.700 0.004 0.000 2.481 29 S HA -0.032 4.440 4.470 0.004 0.000 0.231 29 S C 1.520 176.126 174.600 0.009 0.000 0.996 29 S CA 0.354 58.549 58.200 -0.009 0.000 0.942 29 S CB -0.071 63.147 63.200 0.030 0.000 0.768 29 S HN 0.338 nan 8.310 nan 0.000 0.520 30 L N 0.889 122.103 121.223 -0.014 0.000 2.130 30 L HA 0.405 4.747 4.340 0.004 0.000 0.200 30 L C -0.097 176.806 176.870 0.055 0.000 1.075 30 L CA 1.085 55.907 54.840 -0.029 0.000 0.768 30 L CB -0.111 41.629 42.059 -0.531 0.000 0.933 30 L HN 0.342 nan 8.230 nan 0.000 0.451 31 L N -3.956 117.262 121.223 -0.008 0.000 2.513 31 L HA 0.541 4.883 4.340 0.004 0.000 0.261 31 L C 0.315 177.179 176.870 -0.009 0.000 0.945 31 L CA -0.461 54.369 54.840 -0.017 0.000 0.848 31 L CB 1.741 43.801 42.059 0.001 0.000 1.334 31 L HN -0.085 nan 8.230 nan 0.000 0.407 32 R N 0.833 121.279 120.500 -0.091 0.000 2.189 32 R HA 0.201 4.543 4.340 0.004 0.000 0.203 32 R C -0.244 176.177 176.300 0.202 0.000 1.012 32 R CA 0.458 56.562 56.100 0.008 0.000 1.015 32 R CB 0.069 30.320 30.300 -0.082 0.000 0.938 32 R HN 0.550 nan 8.270 nan 0.000 0.472 33 Y N 2.279 122.609 120.300 0.049 0.000 2.735 33 Y HA 0.039 4.591 4.550 0.004 0.000 0.354 33 Y C 1.158 177.041 175.900 -0.027 0.000 1.288 33 Y CA -1.079 57.006 58.100 -0.025 0.000 1.836 33 Y CB -1.264 37.186 38.460 -0.016 0.000 1.920 33 Y HN 0.250 nan 8.280 nan 0.000 0.438 34 H N -1.951 117.242 119.070 0.204 0.000 2.456 34 H HA -0.101 4.458 4.556 0.004 0.000 0.296 34 H C 1.267 176.691 175.328 0.161 0.000 1.079 34 H CA 1.598 57.736 56.048 0.150 0.000 1.322 34 H CB 0.071 29.890 29.762 0.094 0.000 1.388 34 H HN 0.137 nan 8.280 nan 0.000 0.538 35 N N 0.801 119.348 118.700 -0.255 0.000 2.520 35 N HA -0.074 4.668 4.740 0.004 0.000 0.185 35 N C 1.006 176.555 175.510 0.066 0.000 1.068 35 N CA 0.815 53.825 53.050 -0.067 0.000 0.911 35 N CB 0.006 38.383 38.487 -0.184 0.000 0.961 35 N HN 0.573 nan 8.380 nan 0.000 0.446 36 K N 0.029 120.490 120.400 0.100 0.000 2.400 36 K HA 0.128 4.450 4.320 0.004 0.000 0.194 36 K C 0.031 176.786 176.600 0.258 0.000 1.033 36 K CA 0.167 56.549 56.287 0.158 0.000 1.021 36 K CB 0.781 33.371 32.500 0.150 0.000 0.808 36 K HN -0.079 nan 8.250 nan 0.000 0.505 37 V N 2.656 122.732 119.914 0.270 0.000 2.407 37 V HA 0.206 4.328 4.120 0.004 0.000 0.278 37 V C -0.614 175.713 176.094 0.389 0.000 1.037 37 V CA -0.799 61.675 62.300 0.290 0.000 0.900 37 V CB 0.234 32.227 31.823 0.284 0.000 0.983 37 V HN 0.163 nan 8.190 nan 0.000 0.459 38 Y N 2.739 123.159 120.300 0.199 0.000 2.581 38 Y HA 0.809 5.361 4.550 0.004 0.000 0.345 38 Y C -0.590 175.310 175.900 0.000 0.000 1.036 38 Y CA -1.578 56.624 58.100 0.171 0.000 1.042 38 Y CB 1.338 39.883 38.460 0.141 0.000 1.289 38 Y HN 0.580 nan 8.280 nan 0.000 0.471 39 C N 3.130 122.424 119.300 -0.010 0.000 2.417 39 C HA 0.725 5.188 4.460 0.004 0.000 0.324 39 C C 0.370 175.406 174.990 0.076 0.000 1.240 39 C CA 0.075 58.919 59.018 -0.290 0.000 1.632 39 C CB 0.184 27.546 27.740 -0.631 0.000 2.241 39 C HN 1.079 nan 8.230 nan 0.000 0.499 40 T N 3.115 117.719 114.554 0.082 0.000 2.918 40 T HA 0.583 4.935 4.350 0.004 0.000 0.302 40 T C 0.176 174.932 174.700 0.094 0.000 1.045 40 T CA 0.165 62.374 62.100 0.182 0.000 1.114 40 T CB 1.025 70.022 68.868 0.215 0.000 0.965 40 T HN 1.056 nan 8.240 nan 0.000 0.540 41 T N -2.017 112.597 114.554 0.099 0.000 2.778 41 T HA 0.475 4.827 4.350 0.004 0.000 0.293 41 T C 1.362 176.096 174.700 0.057 0.000 1.144 41 T CA -0.217 61.926 62.100 0.073 0.000 1.010 41 T CB 1.113 70.029 68.868 0.080 0.000 1.325 41 T HN 0.778 nan 8.240 nan 0.000 0.515 42 S N -0.190 115.538 115.700 0.048 0.000 2.469 42 S HA -0.125 4.347 4.470 0.004 0.000 0.238 42 S C 1.742 176.352 174.600 0.017 0.000 0.998 42 S CA 1.145 59.363 58.200 0.031 0.000 0.957 42 S CB -0.714 62.505 63.200 0.033 0.000 0.764 42 S HN 0.803 nan 8.310 nan 0.000 0.514 43 K N 1.728 122.143 120.400 0.026 0.000 2.211 43 K HA -0.102 4.220 4.320 0.004 0.000 0.204 43 K C 1.687 178.286 176.600 -0.002 0.000 1.047 43 K CA 1.534 57.829 56.287 0.014 0.000 0.935 43 K CB -0.258 32.257 32.500 0.024 0.000 0.728 43 K HN 0.628 nan 8.250 nan 0.000 0.452 44 S N -1.427 114.275 115.700 0.004 0.000 2.554 44 S HA 0.269 4.741 4.470 0.004 0.000 0.226 44 S C 1.582 176.164 174.600 -0.030 0.000 0.980 44 S CA 0.060 58.253 58.200 -0.011 0.000 0.939 44 S CB 0.906 64.111 63.200 0.007 0.000 0.832 44 S HN 0.306 nan 8.310 nan 0.000 0.486 45 A N 2.268 125.066 122.820 -0.035 0.000 1.940 45 A HA -0.065 4.257 4.320 0.004 0.000 0.219 45 A C 2.377 179.877 177.584 -0.139 0.000 1.176 45 A CA 1.872 53.870 52.037 -0.065 0.000 0.631 45 A CB -1.266 17.702 19.000 -0.053 0.000 0.814 45 A HN 0.644 nan 8.150 nan 0.000 0.446 46 S N -1.078 114.534 115.700 -0.147 0.000 2.402 46 S HA -0.210 4.262 4.470 0.004 0.000 0.229 46 S C 2.152 176.640 174.600 -0.187 0.000 1.021 46 S CA 1.510 59.580 58.200 -0.217 0.000 0.974 46 S CB -0.346 62.750 63.200 -0.174 0.000 0.800 46 S HN 0.694 nan 8.310 nan 0.000 0.484 47 Q N 0.076 119.807 119.800 -0.115 0.000 2.119 47 Q HA -0.129 4.214 4.340 0.004 0.000 0.201 47 Q C 2.291 178.249 176.000 -0.070 0.000 0.972 47 Q CA 1.327 57.081 55.803 -0.081 0.000 0.847 47 Q CB -0.121 28.586 28.738 -0.053 0.000 0.903 47 Q HN 0.445 nan 8.270 nan 0.000 0.433 48 R N 0.338 120.796 120.500 -0.071 0.000 2.073 48 R HA -0.010 4.332 4.340 0.004 0.000 0.229 48 R C 1.977 178.234 176.300 -0.072 0.000 1.120 48 R CA 1.599 57.676 56.100 -0.039 0.000 0.967 48 R CB -0.807 29.482 30.300 -0.017 0.000 0.862 48 R HN 0.308 nan 8.270 nan 0.000 0.436 49 A N 1.070 123.767 122.820 -0.205 0.000 1.917 49 A HA -0.254 4.068 4.320 0.004 0.000 0.219 49 A C 2.143 179.598 177.584 -0.216 0.000 1.182 49 A CA 2.003 53.811 52.037 -0.381 0.000 0.633 49 A CB -0.660 17.785 19.000 -0.925 0.000 0.819 49 A HN 0.464 nan 8.150 nan 0.000 0.448 50 K N -0.274 120.019 120.400 -0.178 0.000 2.057 50 K HA -0.174 4.148 4.320 0.004 0.000 0.207 50 K C 2.160 178.807 176.600 0.079 0.000 1.049 50 K CA 1.786 58.042 56.287 -0.051 0.000 0.931 50 K CB -0.189 32.276 32.500 -0.058 0.000 0.714 50 K HN 0.440 nan 8.250 nan 0.000 0.440 51 K N 0.592 121.036 120.400 0.075 0.000 2.097 51 K HA -0.082 4.241 4.320 0.004 0.000 0.205 51 K C 1.638 178.417 176.600 0.299 0.000 1.050 51 K CA 1.447 57.824 56.287 0.149 0.000 0.938 51 K CB 0.163 32.722 32.500 0.098 0.000 0.718 51 K HN 0.232 nan 8.250 nan 0.000 0.442 52 V N -1.424 118.648 119.914 0.263 0.000 3.633 52 V HA 0.141 4.263 4.120 0.004 0.000 0.283 52 V C 0.044 176.291 176.094 0.256 0.000 1.305 52 V CA -0.048 62.448 62.300 0.328 0.000 1.153 52 V CB 0.263 32.247 31.823 0.269 0.000 0.950 52 V HN -0.030 nan 8.190 nan 0.000 0.432 53 T N 4.361 119.106 114.554 0.317 0.000 2.770 53 T HA 0.736 5.088 4.350 0.004 0.000 0.297 53 T C -0.768 174.094 174.700 0.271 0.000 0.997 53 T CA -0.049 62.226 62.100 0.292 0.000 0.949 53 T CB 0.311 69.463 68.868 0.474 0.000 0.941 53 T HN 0.615 nan 8.240 nan 0.000 0.457 54 F N -0.168 119.887 119.950 0.175 0.000 2.713 54 F HA 0.665 5.195 4.527 0.004 0.000 0.311 54 F C -0.971 174.868 175.800 0.065 0.000 1.141 54 F CA -1.698 56.364 58.000 0.104 0.000 0.939 54 F CB 0.645 39.694 39.000 0.082 0.000 1.325 54 F HN 0.200 nan 8.300 nan 0.000 0.453 55 D N 0.841 121.418 120.400 0.296 0.000 2.345 55 D HA 0.444 5.086 4.640 0.004 0.000 0.247 55 D C -0.830 175.606 176.300 0.227 0.000 1.108 55 D CA 0.070 54.169 54.000 0.166 0.000 0.894 55 D CB 0.898 41.768 40.800 0.117 0.000 1.203 55 D HN 0.582 nan 8.370 nan 0.000 0.430 56 R N 0.856 121.425 120.500 0.115 0.000 2.562 56 R HA 0.596 4.938 4.340 0.004 0.000 0.298 56 R C -0.483 175.849 176.300 0.053 0.000 0.961 56 R CA -0.717 55.450 56.100 0.111 0.000 0.881 56 R CB 1.883 32.217 30.300 0.056 0.000 1.159 56 R HN 0.466 nan 8.270 nan 0.000 0.450 57 T N -0.942 113.640 114.554 0.046 0.000 2.887 57 T HA 0.589 4.941 4.350 0.004 0.000 0.288 57 T C -0.688 174.016 174.700 0.008 0.000 1.021 57 T CA -0.941 61.169 62.100 0.017 0.000 1.000 57 T CB 1.975 70.851 68.868 0.012 0.000 1.034 57 T HN 0.476 nan 8.240 nan 0.000 0.467 58 Q N 1.536 121.331 119.800 -0.008 0.000 2.263 58 Q HA 0.596 4.938 4.340 0.004 0.000 0.262 58 Q C -2.214 173.770 176.000 -0.027 0.000 0.984 58 Q CA -0.762 55.031 55.803 -0.016 0.000 0.813 58 Q CB 2.101 30.815 28.738 -0.039 0.000 1.299 58 Q HN 0.697 nan 8.270 nan 0.000 0.428 59 V N 5.522 125.433 119.914 -0.006 0.000 2.482 59 V HA 0.465 4.587 4.120 0.004 0.000 0.295 59 V C -0.366 175.751 176.094 0.039 0.000 1.026 59 V CA -0.582 61.714 62.300 -0.005 0.000 0.856 59 V CB 1.463 33.285 31.823 -0.002 0.000 1.001 59 V HN 0.750 nan 8.190 nan 0.000 0.424 60 L N 4.335 125.535 121.223 -0.038 0.000 2.358 60 L HA 0.815 5.158 4.340 0.004 0.000 0.268 60 L C -0.283 176.621 176.870 0.057 0.000 1.032 60 L CA -0.533 54.262 54.840 -0.075 0.000 0.805 60 L CB 1.838 43.654 42.059 -0.406 0.000 1.253 60 L HN 0.808 nan 8.230 nan 0.000 0.452 61 D N -0.411 120.079 120.400 0.150 0.000 2.798 61 D HA 0.395 5.037 4.640 0.004 0.000 0.308 61 D C 0.376 176.729 176.300 0.088 0.000 1.187 61 D CA -0.239 53.836 54.000 0.125 0.000 1.033 61 D CB 0.933 41.842 40.800 0.181 0.000 1.445 61 D HN 0.401 nan 8.370 nan 0.000 0.550 62 A N -0.730 122.065 122.820 -0.042 0.000 1.940 62 A HA -0.218 4.105 4.320 0.004 0.000 0.219 62 A C 1.804 179.314 177.584 -0.122 0.000 1.176 62 A CA 1.512 53.473 52.037 -0.126 0.000 0.631 62 A CB -1.207 17.651 19.000 -0.236 0.000 0.814 62 A HN 0.632 nan 8.150 nan 0.000 0.446 63 H N -2.433 116.703 119.070 0.110 0.000 2.321 63 H HA -0.169 4.389 4.556 0.004 0.000 0.300 63 H C 2.049 177.408 175.328 0.051 0.000 1.087 63 H CA 1.970 58.075 56.048 0.095 0.000 1.319 63 H CB -0.773 29.078 29.762 0.149 0.000 1.379 63 H HN 0.704 nan 8.280 nan 0.000 0.501 64 Y N 2.395 122.718 120.300 0.038 0.000 2.145 64 Y HA -0.208 4.345 4.550 0.004 0.000 0.286 64 Y C 1.939 177.776 175.900 -0.105 0.000 1.145 64 Y CA 1.655 59.648 58.100 -0.179 0.000 1.148 64 Y CB -0.240 37.967 38.460 -0.422 0.000 0.981 64 Y HN 0.027 nan 8.280 nan 0.000 0.507 65 D N -0.708 119.775 120.400 0.138 0.000 2.123 65 D HA -0.215 4.427 4.640 0.004 0.000 0.196 65 D C 2.442 178.714 176.300 -0.047 0.000 0.992 65 D CA 1.681 55.716 54.000 0.058 0.000 0.833 65 D CB -0.659 40.181 40.800 0.066 0.000 0.954 65 D HN 0.379 nan 8.370 nan 0.000 0.455 66 S N -0.261 115.417 115.700 -0.036 0.000 2.368 66 S HA -0.111 4.361 4.470 0.004 0.000 0.225 66 S C 2.115 176.679 174.600 -0.060 0.000 1.030 66 S CA 0.932 59.111 58.200 -0.034 0.000 0.999 66 S CB -0.230 62.967 63.200 -0.005 0.000 0.844 66 S HN 0.052 nan 8.310 nan 0.000 0.459 67 V N 1.872 121.721 119.914 -0.108 0.000 2.358 67 V HA -0.088 4.034 4.120 0.004 0.000 0.246 67 V C 2.450 178.448 176.094 -0.160 0.000 1.047 67 V CA 1.714 63.935 62.300 -0.131 0.000 1.035 67 V CB -0.741 30.966 31.823 -0.193 0.000 0.658 67 V HN 0.498 nan 8.190 nan 0.000 0.452 68 L N 0.460 121.513 121.223 -0.283 0.000 2.083 68 L HA -0.167 4.175 4.340 0.004 0.000 0.209 68 L C 2.407 179.213 176.870 -0.106 0.000 1.083 68 L CA 2.126 56.822 54.840 -0.240 0.000 0.752 68 L CB -0.808 41.055 42.059 -0.326 0.000 0.899 68 L HN 0.269 nan 8.230 nan 0.000 0.433 69 K N -0.780 119.572 120.400 -0.080 0.000 2.063 69 K HA -0.214 4.108 4.320 0.004 0.000 0.208 69 K C 1.746 178.331 176.600 -0.024 0.000 1.048 69 K CA 1.862 58.126 56.287 -0.038 0.000 0.928 69 K CB -0.148 32.337 32.500 -0.026 0.000 0.713 69 K HN 0.361 nan 8.250 nan 0.000 0.442 70 D N 0.660 121.047 120.400 -0.021 0.000 2.117 70 D HA -0.136 4.506 4.640 0.004 0.000 0.197 70 D C 1.928 178.233 176.300 0.008 0.000 0.987 70 D CA 1.048 55.049 54.000 0.002 0.000 0.829 70 D CB -0.106 40.704 40.800 0.016 0.000 0.961 70 D HN 0.278 nan 8.370 nan 0.000 0.460 71 I N 0.716 121.289 120.570 0.005 0.000 2.226 71 I HA -0.253 3.919 4.170 0.004 0.000 0.245 71 I C 2.222 178.335 176.117 -0.006 0.000 1.100 71 I CA 1.162 62.469 61.300 0.011 0.000 1.374 71 I CB -0.010 37.999 38.000 0.016 0.000 1.057 71 I HN -0.064 nan 8.210 nan 0.000 0.413 72 K N 0.089 120.480 120.400 -0.015 0.000 2.097 72 K HA -0.175 4.147 4.320 0.004 0.000 0.205 72 K C 2.024 178.622 176.600 -0.004 0.000 1.050 72 K CA 1.045 57.325 56.287 -0.011 0.000 0.938 72 K CB -0.194 32.297 32.500 -0.015 0.000 0.718 72 K HN 0.128 nan 8.250 nan 0.000 0.442 73 L N 1.126 122.347 121.223 -0.003 0.000 2.046 73 L HA -0.122 4.220 4.340 0.004 0.000 0.208 73 L C 2.173 179.043 176.870 0.000 0.000 1.077 73 L CA 1.782 56.622 54.840 -0.000 0.000 0.747 73 L CB -0.664 41.396 42.059 0.002 0.000 0.896 73 L HN 0.111 nan 8.230 nan 0.000 0.432 74 A N -0.438 122.381 122.820 -0.001 0.000 1.902 74 A HA -0.112 4.210 4.320 0.004 0.000 0.217 74 A C 2.438 180.016 177.584 -0.011 0.000 1.181 74 A CA 1.764 53.798 52.037 -0.006 0.000 0.623 74 A CB -1.198 17.797 19.000 -0.009 0.000 0.818 74 A HN 0.574 nan 8.150 nan 0.000 0.443 75 A N 0.317 123.132 122.820 -0.008 0.000 2.019 75 A HA -0.074 4.248 4.320 0.004 0.000 0.219 75 A C 2.400 179.986 177.584 0.004 0.000 1.164 75 A CA 2.103 54.139 52.037 -0.003 0.000 0.644 75 A CB -0.908 18.098 19.000 0.010 0.000 0.805 75 A HN 1.074 nan 8.150 nan 0.000 0.449 76 S N -0.353 115.349 115.700 0.004 0.000 2.474 76 S HA -0.090 4.383 4.470 0.004 0.000 0.235 76 S C 1.497 176.099 174.600 0.004 0.000 0.997 76 S CA 1.350 59.553 58.200 0.006 0.000 0.949 76 S CB -0.297 62.906 63.200 0.005 0.000 0.766 76 S HN 0.616 nan 8.310 nan 0.000 0.517 77 K N 0.647 121.046 120.400 -0.001 0.000 2.426 77 K HA 0.247 4.569 4.320 0.004 0.000 0.193 77 K C -0.328 176.269 176.600 -0.005 0.000 1.028 77 K CA -0.024 56.261 56.287 -0.002 0.000 1.047 77 K CB 0.359 32.857 32.500 -0.004 0.000 0.821 77 K HN 0.248 nan 8.250 nan 0.000 0.513 78 V N 1.623 121.534 119.914 -0.005 0.000 2.498 78 V HA 0.107 4.229 4.120 0.004 0.000 0.279 78 V C -0.037 176.057 176.094 -0.001 0.000 1.048 78 V CA -0.385 61.909 62.300 -0.009 0.000 0.967 78 V CB 1.559 33.373 31.823 -0.016 0.000 0.988 78 V HN 0.018 nan 8.190 nan 0.000 0.473 79 S N 3.478 119.176 115.700 -0.003 0.000 2.478 79 S HA 0.837 5.309 4.470 0.004 0.000 0.312 79 S C -0.068 174.532 174.600 -0.000 0.000 1.094 79 S CA -0.420 57.782 58.200 0.003 0.000 1.081 79 S CB 1.648 64.850 63.200 0.004 0.000 1.007 79 S HN 1.057 nan 8.310 nan 0.000 0.475 80 A N 3.191 126.015 122.820 0.006 0.000 2.423 80 A HA 0.912 5.234 4.320 0.004 0.000 0.304 80 A C -0.387 177.208 177.584 0.019 0.000 1.104 80 A CA -1.109 50.930 52.037 0.003 0.000 0.757 80 A CB 1.349 20.344 19.000 -0.009 0.000 1.313 80 A HN 0.892 nan 8.150 nan 0.000 0.423 81 R N 0.538 121.051 120.500 0.022 0.000 2.892 81 R HA 0.802 5.144 4.340 0.004 0.000 0.265 81 R C -1.289 175.037 176.300 0.043 0.000 1.025 81 R CA -0.836 55.283 56.100 0.032 0.000 0.982 81 R CB 0.826 31.140 30.300 0.023 0.000 1.185 81 R HN 0.493 nan 8.270 nan 0.000 0.484 82 L N 1.479 122.728 121.223 0.043 0.000 2.461 82 L HA 0.148 4.490 4.340 0.004 0.000 0.272 82 L C -0.102 176.763 176.870 -0.008 0.000 1.197 82 L CA -0.679 54.178 54.840 0.029 0.000 0.836 82 L CB 0.360 42.427 42.059 0.014 0.000 1.105 82 L HN 0.410 nan 8.230 nan 0.000 0.477 83 L N 1.832 123.039 121.223 -0.027 0.000 2.395 83 L HA 0.236 4.578 4.340 0.004 0.000 0.269 83 L C 0.774 177.558 176.870 -0.143 0.000 1.133 83 L CA 0.190 54.998 54.840 -0.054 0.000 0.812 83 L CB 1.430 43.467 42.059 -0.036 0.000 1.125 83 L HN 0.700 nan 8.230 nan 0.000 0.452 84 T N 0.202 114.680 114.554 -0.126 0.000 2.856 84 T HA 0.099 4.452 4.350 0.004 0.000 0.306 84 T C 1.402 175.985 174.700 -0.196 0.000 1.062 84 T CA -0.305 61.698 62.100 -0.162 0.000 1.083 84 T CB 0.343 69.144 68.868 -0.113 0.000 0.984 84 T HN 0.621 nan 8.240 nan 0.000 0.542 85 L N 0.636 121.722 121.223 -0.228 0.000 2.043 85 L HA -0.164 4.178 4.340 0.004 0.000 0.212 85 L C 2.638 179.417 176.870 -0.152 0.000 1.075 85 L CA 1.899 56.612 54.840 -0.212 0.000 0.752 85 L CB -0.480 41.456 42.059 -0.204 0.000 0.891 85 L HN 0.787 nan 8.230 nan 0.000 0.432 86 E N 0.247 120.370 120.200 -0.127 0.000 2.058 86 E HA -0.262 4.090 4.350 0.004 0.000 0.194 86 E C 2.043 178.581 176.600 -0.102 0.000 0.997 86 E CA 1.851 58.189 56.400 -0.102 0.000 0.801 86 E CB -0.205 29.445 29.700 -0.083 0.000 0.746 86 E HN 0.588 nan 8.360 nan 0.000 0.450 87 E N 0.139 120.274 120.200 -0.108 0.000 2.077 87 E HA -0.185 4.167 4.350 0.004 0.000 0.193 87 E C 2.042 178.548 176.600 -0.157 0.000 0.989 87 E CA 1.076 57.406 56.400 -0.116 0.000 0.800 87 E CB -0.194 29.446 29.700 -0.100 0.000 0.746 87 E HN 0.294 nan 8.360 nan 0.000 0.452 88 A N 0.614 123.340 122.820 -0.156 0.000 1.930 88 A HA -0.161 4.162 4.320 0.004 0.000 0.217 88 A C 2.377 179.880 177.584 -0.136 0.000 1.175 88 A CA 0.964 52.904 52.037 -0.162 0.000 0.627 88 A CB -0.718 18.201 19.000 -0.135 0.000 0.815 88 A HN 0.353 nan 8.150 nan 0.000 0.443 89 C N -0.643 118.589 119.300 -0.114 0.000 2.425 89 C HA -0.094 4.369 4.460 0.004 0.000 0.277 89 C C 2.713 177.647 174.990 -0.095 0.000 1.280 89 C CA 1.152 60.114 59.018 -0.092 0.000 1.744 89 C CB -0.973 26.714 27.740 -0.087 0.000 1.989 89 C HN 0.591 nan 8.230 nan 0.000 0.491 90 Q N 0.331 120.072 119.800 -0.099 0.000 2.369 90 Q HA 0.105 4.448 4.340 0.004 0.000 0.206 90 Q C 1.846 177.799 176.000 -0.079 0.000 0.963 90 Q CA 0.851 56.611 55.803 -0.072 0.000 0.894 90 Q CB -0.384 28.319 28.738 -0.059 0.000 0.965 90 Q HN 0.682 nan 8.270 nan 0.000 0.475 91 L N 0.430 121.550 121.223 -0.171 0.000 2.599 91 L HA 0.043 4.385 4.340 0.004 0.000 0.230 91 L C 0.341 177.113 176.870 -0.164 0.000 1.141 91 L CA 0.156 54.841 54.840 -0.259 0.000 0.877 91 L CB 0.043 41.839 42.059 -0.438 0.000 1.009 91 L HN -0.079 nan 8.230 nan 0.000 0.447 92 T N 1.772 116.256 114.554 -0.117 0.000 2.761 92 T HA 0.217 4.569 4.350 0.004 0.000 0.296 92 T C -2.301 172.282 174.700 -0.194 0.000 0.934 92 T CA -1.155 60.872 62.100 -0.121 0.000 1.091 92 T CB 0.997 69.808 68.868 -0.095 0.000 0.896 92 T HN -0.135 nan 8.240 nan 0.000 0.515 93 P HA 0.134 nan 4.420 nan 0.000 0.268 93 P C -1.880 175.156 177.300 -0.441 0.000 1.205 93 P CA -1.376 61.494 63.100 -0.383 0.000 0.771 93 P CB 0.160 31.749 31.700 -0.185 0.000 0.858 94 P HA -0.152 nan 4.420 nan 0.000 0.218 94 P C 0.316 177.296 177.300 -0.532 0.000 1.146 94 P CA 1.715 64.486 63.100 -0.548 0.000 0.813 94 P CB -0.137 31.219 31.700 -0.574 0.000 0.778 95 H N -2.531 116.412 119.070 -0.210 0.000 2.486 95 H HA 0.279 4.838 4.556 0.004 0.000 0.284 95 H C 0.418 175.671 175.328 -0.125 0.000 1.103 95 H CA -0.315 55.652 56.048 -0.134 0.000 1.089 95 H CB -0.120 29.581 29.762 -0.102 0.000 1.603 95 H HN -0.050 nan 8.280 nan 0.000 0.557 96 S N 1.278 116.929 115.700 -0.082 0.000 2.558 96 S HA 0.232 4.704 4.470 0.004 0.000 0.287 96 S C 0.770 175.322 174.600 -0.080 0.000 1.321 96 S CA -0.362 57.783 58.200 -0.092 0.000 1.048 96 S CB 0.138 63.279 63.200 -0.098 0.000 0.844 96 S HN 0.539 nan 8.310 nan 0.000 0.512 97 A N 4.829 127.583 122.820 -0.109 0.000 2.546 97 A HA 0.255 4.577 4.320 0.004 0.000 0.243 97 A C 0.694 178.240 177.584 -0.063 0.000 1.063 97 A CA -0.112 51.874 52.037 -0.084 0.000 0.757 97 A CB -0.137 18.784 19.000 -0.132 0.000 0.991 97 A HN 0.934 nan 8.150 nan 0.000 0.503 98 R N 2.402 122.860 120.500 -0.069 0.000 2.694 98 R HA 0.359 4.702 4.340 0.004 0.000 0.268 98 R C 0.321 176.501 176.300 -0.200 0.000 1.061 98 R CA 0.283 56.302 56.100 -0.134 0.000 1.133 98 R CB 0.390 30.619 30.300 -0.119 0.000 1.020 98 R HN 0.539 nan 8.270 nan 0.000 0.475 99 S N -0.156 115.294 115.700 -0.417 0.000 2.585 99 S HA 0.047 4.519 4.470 0.004 0.000 0.273 99 S C 0.837 175.185 174.600 -0.419 0.000 1.339 99 S CA -0.551 57.342 58.200 -0.511 0.000 1.028 99 S CB 0.724 63.212 63.200 -1.186 0.000 0.906 99 S HN 0.775 nan 8.310 nan 0.000 0.528 100 K N 1.882 122.039 120.400 -0.406 0.000 2.525 100 K HA 0.020 4.343 4.320 0.004 0.000 0.192 100 K C 0.008 176.277 176.600 -0.552 0.000 1.029 100 K CA 0.979 56.988 56.287 -0.464 0.000 1.029 100 K CB -0.207 31.974 32.500 -0.531 0.000 0.814 100 K HN 0.637 nan 8.250 nan 0.000 0.503 101 Y N 1.138 121.221 120.300 -0.361 0.000 2.583 101 Y HA 0.278 4.830 4.550 0.002 0.000 0.294 101 Y C 0.985 176.804 175.900 -0.135 0.000 1.170 101 Y CA -0.160 57.768 58.100 -0.286 0.000 1.265 101 Y CB 0.772 38.919 38.460 -0.521 0.000 1.119 101 Y HN 0.346 nan 8.280 nan 0.000 0.522 102 G N 0.596 109.349 108.800 -0.080 0.000 2.165 102 G HA2 -0.236 3.726 3.960 0.004 0.000 0.226 102 G HA3 -0.236 3.726 3.960 0.004 0.000 0.226 102 G C -0.363 174.635 174.900 0.164 0.000 1.035 102 G CA 0.110 45.232 45.100 0.036 0.000 0.744 102 G HN 0.425 nan 8.290 nan 0.000 0.501 103 F N -2.544 117.387 119.950 -0.033 0.000 2.741 103 F HA 0.819 5.348 4.527 0.003 0.000 0.311 103 F C 0.236 176.018 175.800 -0.030 0.000 1.149 103 F CA -0.796 57.187 58.000 -0.029 0.000 0.930 103 F CB 0.549 39.535 39.000 -0.023 0.000 1.312 103 F HN 0.594 nan 8.300 nan 0.000 0.450 104 G N -0.168 108.696 108.800 0.108 0.000 3.176 104 G HA2 0.585 4.547 3.960 0.004 0.000 0.272 104 G HA3 0.585 4.547 3.960 0.004 0.000 0.272 104 G C 0.198 175.148 174.900 0.083 0.000 1.349 104 G CA -0.579 44.519 45.100 -0.002 0.000 0.953 104 G HN 1.196 nan 8.290 nan 0.000 0.559 105 A N -0.489 122.320 122.820 -0.019 0.000 1.972 105 A HA -0.023 4.299 4.320 0.004 0.000 0.219 105 A C 2.119 179.657 177.584 -0.076 0.000 1.169 105 A CA 2.270 54.274 52.037 -0.056 0.000 0.635 105 A CB -0.478 18.435 19.000 -0.146 0.000 0.810 105 A HN 0.596 nan 8.150 nan 0.000 0.446 106 K N -0.308 120.039 120.400 -0.088 0.000 2.026 106 K HA -0.219 4.103 4.320 0.004 0.000 0.208 106 K C 1.792 178.367 176.600 -0.041 0.000 1.048 106 K CA 1.828 58.060 56.287 -0.091 0.000 0.929 106 K CB -0.154 32.293 32.500 -0.088 0.000 0.713 106 K HN 0.382 nan 8.250 nan 0.000 0.439 107 E N 0.436 120.645 120.200 0.015 0.000 2.077 107 E HA -0.134 4.218 4.350 0.004 0.000 0.193 107 E C 1.952 178.544 176.600 -0.014 0.000 0.989 107 E CA 1.106 57.519 56.400 0.022 0.000 0.800 107 E CB -0.203 29.553 29.700 0.094 0.000 0.746 107 E HN 0.081 nan 8.360 nan 0.000 0.452 108 V N 0.913 120.845 119.914 0.030 0.000 2.287 108 V HA -0.289 3.834 4.120 0.004 0.000 0.248 108 V C 2.148 178.210 176.094 -0.055 0.000 1.053 108 V CA 2.065 64.357 62.300 -0.012 0.000 1.027 108 V CB -0.391 31.465 31.823 0.054 0.000 0.646 108 V HN 0.215 nan 8.190 nan 0.000 0.447 109 R N 0.676 121.137 120.500 -0.065 0.000 2.115 109 R HA -0.082 4.260 4.340 0.004 0.000 0.230 109 R C 2.201 178.461 176.300 -0.067 0.000 1.111 109 R CA 1.547 57.598 56.100 -0.081 0.000 0.976 109 R CB -0.366 29.864 30.300 -0.117 0.000 0.870 109 R HN 0.676 nan 8.270 nan 0.000 0.445 110 S N 0.327 115.990 115.700 -0.061 0.000 2.577 110 S HA 0.142 4.615 4.470 0.004 0.000 0.219 110 S C 0.773 175.339 174.600 -0.057 0.000 0.962 110 S CA -0.347 57.821 58.200 -0.053 0.000 0.921 110 S CB -0.183 62.990 63.200 -0.046 0.000 0.789 110 S HN 0.308 nan 8.310 nan 0.000 0.497 111 L N 1.605 122.786 121.223 -0.070 0.000 3.678 111 L HA -0.195 4.148 4.340 0.004 0.000 0.425 111 L C 0.378 177.199 176.870 -0.082 0.000 1.240 111 L CA 0.390 55.179 54.840 -0.085 0.000 0.876 111 L CB -2.892 39.122 42.059 -0.076 0.000 1.766 111 L HN 0.672 nan 8.230 nan 0.000 0.917 112 S N -1.878 113.774 115.700 -0.079 0.000 2.709 112 S HA 0.939 5.411 4.470 0.004 0.000 0.302 112 S C 0.685 175.243 174.600 -0.069 0.000 1.127 112 S CA 0.090 58.252 58.200 -0.063 0.000 0.905 112 S CB 2.652 65.827 63.200 -0.041 0.000 1.151 112 S HN 1.341 nan 8.310 nan 0.000 0.510 113 G N 1.727 110.500 108.800 -0.045 0.000 2.582 113 G HA2 -0.298 3.664 3.960 0.004 0.000 0.288 113 G HA3 -0.298 3.664 3.960 0.004 0.000 0.288 113 G C 0.433 175.291 174.900 -0.069 0.000 1.247 113 G CA 0.424 45.506 45.100 -0.031 0.000 0.972 113 G HN 0.891 nan 8.290 nan 0.000 0.557 114 R N 0.858 121.324 120.500 -0.056 0.000 2.276 114 R HA 0.277 4.619 4.340 0.004 0.000 0.203 114 R C 2.998 179.096 176.300 -0.338 0.000 1.017 114 R CA 1.210 57.258 56.100 -0.086 0.000 1.010 114 R CB -0.367 29.976 30.300 0.070 0.000 0.900 114 R HN 0.622 nan 8.270 nan 0.000 0.469 115 A N 0.800 123.270 122.820 -0.584 0.000 1.877 115 A HA -0.134 4.189 4.320 0.004 0.000 0.216 115 A C 2.253 179.500 177.584 -0.562 0.000 1.186 115 A CA 1.415 52.779 52.037 -1.120 0.000 0.620 115 A CB -0.516 18.026 19.000 -0.764 0.000 0.822 115 A HN 0.101 nan 8.150 nan 0.000 0.443 116 V N 0.881 120.610 119.914 -0.308 0.000 2.270 116 V HA -0.248 3.874 4.120 0.004 0.000 0.245 116 V C 2.327 178.333 176.094 -0.147 0.000 1.043 116 V CA 2.163 64.349 62.300 -0.191 0.000 1.014 116 V CB -0.991 30.749 31.823 -0.138 0.000 0.645 116 V HN 0.546 nan 8.190 nan 0.000 0.447 117 N N -0.440 118.188 118.700 -0.121 0.000 2.166 117 N HA -0.194 4.548 4.740 0.004 0.000 0.186 117 N C 1.814 177.281 175.510 -0.071 0.000 1.019 117 N CA 1.816 54.819 53.050 -0.077 0.000 0.856 117 N CB -0.494 37.963 38.487 -0.049 0.000 0.993 117 N HN 0.719 nan 8.380 nan 0.000 0.426 118 H N 0.641 119.610 119.070 -0.168 0.000 2.326 118 H HA 0.117 4.675 4.556 0.003 0.000 0.301 118 H C 2.092 177.364 175.328 -0.093 0.000 1.081 118 H CA 1.432 57.402 56.048 -0.130 0.000 1.334 118 H CB -0.249 29.463 29.762 -0.084 0.000 1.385 118 H HN 0.103 nan 8.280 nan 0.000 0.504 119 I N 0.441 120.945 120.570 -0.110 0.000 2.226 119 I HA -0.266 3.907 4.170 0.004 0.000 0.245 119 I C 2.338 178.418 176.117 -0.061 0.000 1.100 119 I CA 1.437 62.698 61.300 -0.065 0.000 1.374 119 I CB -0.232 37.746 38.000 -0.038 0.000 1.057 119 I HN 0.272 nan 8.210 nan 0.000 0.413 120 K N 0.564 120.920 120.400 -0.074 0.000 2.063 120 K HA -0.200 4.122 4.320 0.004 0.000 0.208 120 K C 2.306 178.907 176.600 0.002 0.000 1.048 120 K CA 1.972 58.248 56.287 -0.019 0.000 0.928 120 K CB -0.298 32.175 32.500 -0.043 0.000 0.713 120 K HN 0.440 nan 8.250 nan 0.000 0.442 121 S N 0.531 116.167 115.700 -0.107 0.000 2.383 121 S HA -0.083 4.389 4.470 0.004 0.000 0.227 121 S C 2.150 176.658 174.600 -0.153 0.000 1.026 121 S CA 0.984 59.103 58.200 -0.134 0.000 0.981 121 S CB -0.480 62.603 63.200 -0.194 0.000 0.818 121 S HN 0.026 nan 8.310 nan 0.000 0.472 122 V N 0.905 120.683 119.914 -0.227 0.000 2.343 122 V HA -0.127 3.995 4.120 0.004 0.000 0.247 122 V C 2.242 178.331 176.094 -0.009 0.000 1.051 122 V CA 1.812 64.018 62.300 -0.156 0.000 1.036 122 V CB -1.071 30.663 31.823 -0.147 0.000 0.654 122 V HN 0.714 nan 8.190 nan 0.000 0.451 123 W N 1.452 122.682 121.300 -0.118 0.000 2.355 123 W HA -0.234 4.429 4.660 0.005 0.000 0.309 123 W C 2.526 179.005 176.519 -0.066 0.000 1.206 123 W CA 2.274 59.574 57.345 -0.074 0.000 1.284 123 W CB -0.128 29.295 29.460 -0.062 0.000 1.145 123 W HN 0.247 nan 8.180 nan 0.000 0.502 124 K N 0.631 121.060 120.400 0.048 0.000 2.103 124 K HA -0.277 4.045 4.320 0.004 0.000 0.207 124 K C 1.701 178.223 176.600 -0.130 0.000 1.048 124 K CA 2.301 58.560 56.287 -0.045 0.000 0.930 124 K CB -0.564 31.940 32.500 0.006 0.000 0.716 124 K HN 0.071 nan 8.250 nan 0.000 0.444 125 D N 0.060 120.387 120.400 -0.122 0.000 2.149 125 D HA -0.106 4.536 4.640 0.004 0.000 0.201 125 D C 1.971 178.172 176.300 -0.165 0.000 0.972 125 D CA 0.741 54.668 54.000 -0.122 0.000 0.835 125 D CB 0.104 40.843 40.800 -0.103 0.000 0.966 125 D HN 0.210 nan 8.370 nan 0.000 0.476 126 L N 0.079 121.161 121.223 -0.236 0.000 2.042 126 L HA -0.154 4.188 4.340 0.004 0.000 0.210 126 L C 2.445 179.119 176.870 -0.327 0.000 1.076 126 L CA 0.765 55.423 54.840 -0.303 0.000 0.749 126 L CB -0.411 41.388 42.059 -0.434 0.000 0.893 126 L HN 0.240 nan 8.230 nan 0.000 0.432 127 L N -0.643 120.343 121.223 -0.395 0.000 2.141 127 L HA -0.188 4.155 4.340 0.004 0.000 0.209 127 L C 2.489 179.263 176.870 -0.160 0.000 1.094 127 L CA 1.206 55.869 54.840 -0.295 0.000 0.763 127 L CB -0.390 41.495 42.059 -0.290 0.000 0.908 127 L HN 0.349 nan 8.230 nan 0.000 0.437 128 E N -0.468 119.651 120.200 -0.135 0.000 2.250 128 E HA -0.118 4.234 4.350 0.004 0.000 0.192 128 E C 0.103 176.662 176.600 -0.068 0.000 0.986 128 E CA 0.235 56.585 56.400 -0.083 0.000 0.849 128 E CB 0.567 30.227 29.700 -0.067 0.000 0.797 128 E HN 0.170 nan 8.360 nan 0.000 0.482 129 D N -0.025 120.325 120.400 -0.084 0.000 2.505 129 D HA 0.141 4.783 4.640 0.004 0.000 0.250 129 D C -2.220 174.033 176.300 -0.077 0.000 1.164 129 D CA -2.337 51.624 54.000 -0.065 0.000 0.870 129 D CB 2.013 42.777 40.800 -0.061 0.000 1.160 129 D HN -0.083 nan 8.370 nan 0.000 0.549 130 P HA 0.097 nan 4.420 nan 0.000 0.268 130 P C 0.547 177.796 177.300 -0.085 0.000 1.329 130 P CA 0.227 63.286 63.100 -0.069 0.000 0.899 130 P CB 1.204 32.922 31.700 0.030 0.000 1.378 131 Q N 0.011 119.778 119.800 -0.055 0.000 2.548 131 Q HA 0.144 4.486 4.340 0.004 0.000 0.230 131 Q C 0.337 176.319 176.000 -0.030 0.000 0.899 131 Q CA 1.100 56.881 55.803 -0.037 0.000 0.936 131 Q CB -0.452 28.277 28.738 -0.015 0.000 1.114 131 Q HN -0.089 nan 8.270 nan 0.000 0.606 132 T N 4.082 118.621 114.554 -0.026 0.000 2.817 132 T HA 0.233 4.585 4.350 0.004 0.000 0.295 132 T C -2.549 172.147 174.700 -0.006 0.000 0.958 132 T CA -0.931 61.166 62.100 -0.006 0.000 1.157 132 T CB 0.766 69.632 68.868 -0.003 0.000 0.898 132 T HN 0.136 nan 8.240 nan 0.000 0.536 133 P HA 0.172 nan 4.420 nan 0.000 0.266 133 P C -0.263 177.044 177.300 0.011 0.000 1.195 133 P CA -0.145 62.964 63.100 0.015 0.000 0.768 133 P CB 0.377 32.118 31.700 0.068 0.000 0.838 134 I N 5.238 125.799 120.570 -0.015 0.000 2.365 134 I HA 0.255 4.427 4.170 0.004 0.000 0.291 134 I C -1.924 174.208 176.117 0.026 0.000 1.004 134 I CA -2.497 58.805 61.300 0.003 0.000 1.311 134 I CB 1.240 39.229 38.000 -0.019 0.000 1.401 134 I HN 0.194 nan 8.210 nan 0.000 0.491 135 P HA 0.158 nan 4.420 nan 0.000 0.272 135 P C -0.702 176.642 177.300 0.074 0.000 1.223 135 P CA -0.192 62.988 63.100 0.135 0.000 0.784 135 P CB 0.635 32.336 31.700 0.001 0.000 0.923 136 T N -1.902 112.719 114.554 0.111 0.000 2.901 136 T HA 0.615 4.967 4.350 0.004 0.000 0.293 136 T C -0.585 174.098 174.700 -0.029 0.000 1.084 136 T CA -0.695 61.395 62.100 -0.016 0.000 1.008 136 T CB 1.076 69.919 68.868 -0.042 0.000 1.170 136 T HN 0.168 nan 8.240 nan 0.000 0.509 137 T N 1.840 116.216 114.554 -0.296 0.000 2.824 137 T HA 0.624 4.976 4.350 0.004 0.000 0.280 137 T C -0.487 174.030 174.700 -0.304 0.000 0.995 137 T CA -0.614 61.300 62.100 -0.312 0.000 1.009 137 T CB 0.967 69.514 68.868 -0.535 0.000 0.955 137 T HN 0.747 nan 8.240 nan 0.000 0.452 138 I N 3.669 124.186 120.570 -0.089 0.000 2.404 138 I HA 0.582 4.755 4.170 0.004 0.000 0.293 138 I C -1.055 175.097 176.117 0.059 0.000 0.992 138 I CA -0.798 60.506 61.300 0.007 0.000 1.149 138 I CB 0.721 38.759 38.000 0.063 0.000 1.315 138 I HN 0.415 nan 8.210 nan 0.000 0.446 139 M N 6.437 126.110 119.600 0.122 0.000 2.501 139 M HA 0.473 4.955 4.480 0.004 0.000 0.293 139 M C -0.646 175.724 176.300 0.117 0.000 1.192 139 M CA -0.573 54.810 55.300 0.137 0.000 0.886 139 M CB 1.864 34.598 32.600 0.224 0.000 1.710 139 M HN 0.627 nan 8.290 nan 0.000 0.457 140 A N 2.699 125.571 122.820 0.086 0.000 2.366 140 A HA 0.464 4.786 4.320 0.004 0.000 0.272 140 A C -0.003 177.627 177.584 0.076 0.000 1.135 140 A CA -0.353 51.727 52.037 0.072 0.000 0.804 140 A CB 0.241 19.272 19.000 0.051 0.000 1.064 140 A HN 0.764 nan 8.150 nan 0.000 0.499 141 K N 1.824 122.270 120.400 0.076 0.000 2.237 141 K HA 0.122 4.444 4.320 0.004 0.000 0.270 141 K C -0.632 175.990 176.600 0.037 0.000 1.015 141 K CA 0.055 56.377 56.287 0.058 0.000 0.949 141 K CB 0.555 33.093 32.500 0.064 0.000 0.976 141 K HN 0.767 nan 8.250 nan 0.000 0.472 142 N N 2.556 121.254 118.700 -0.003 0.000 2.527 142 N HA 0.109 4.851 4.740 0.004 0.000 0.236 142 N C -1.313 174.102 175.510 -0.157 0.000 0.999 142 N CA -0.293 52.722 53.050 -0.057 0.000 0.935 142 N CB 0.952 39.412 38.487 -0.046 0.000 1.132 142 N HN 0.378 nan 8.380 nan 0.000 0.511 143 E N 0.827 120.914 120.200 -0.188 0.000 2.288 143 E HA 0.449 4.801 4.350 0.004 0.000 0.268 143 E C -0.946 175.270 176.600 -0.641 0.000 0.885 143 E CA -0.966 55.210 56.400 -0.373 0.000 0.767 143 E CB 2.577 32.119 29.700 -0.263 0.000 1.220 143 E HN 0.075 nan 8.360 nan 0.000 0.427 144 V N 3.170 122.553 119.914 -0.885 0.000 2.472 144 V HA 0.496 4.618 4.120 0.004 0.000 0.290 144 V C -0.827 174.594 176.094 -1.122 0.000 1.037 144 V CA -0.261 61.499 62.300 -0.899 0.000 0.908 144 V CB 0.319 31.704 31.823 -0.731 0.000 0.985 144 V HN 0.515 nan 8.190 nan 0.000 0.454 145 F N 2.079 121.641 119.950 -0.647 0.000 2.675 145 F HA 0.587 5.116 4.527 0.003 0.000 0.324 145 F C 0.030 175.606 175.800 -0.374 0.000 1.106 145 F CA -0.747 56.951 58.000 -0.503 0.000 0.970 145 F CB 1.335 40.012 39.000 -0.539 0.000 1.385 145 F HN 0.492 nan 8.300 nan 0.000 0.489 146 C N 2.958 122.340 119.300 0.137 0.000 2.341 146 C HA 0.762 5.225 4.460 0.004 0.000 0.338 146 C C 0.081 175.283 174.990 0.353 0.000 1.257 146 C CA -0.757 58.386 59.018 0.208 0.000 1.883 146 C CB -0.274 27.546 27.740 0.134 0.000 2.334 146 C HN 0.700 nan 8.230 nan 0.000 0.524 147 V N 3.714 123.870 119.914 0.405 0.000 2.928 147 V HA 0.250 4.373 4.120 0.004 0.000 0.307 147 V C 0.077 176.259 176.094 0.147 0.000 1.105 147 V CA 0.535 62.997 62.300 0.271 0.000 1.223 147 V CB 0.734 32.631 31.823 0.123 0.000 0.930 147 V HN 0.914 nan 8.190 nan 0.000 0.499 148 D N 4.180 124.631 120.400 0.085 0.000 2.405 148 D HA 0.458 5.100 4.640 0.004 0.000 0.264 148 D C -1.817 174.489 176.300 0.010 0.000 1.240 148 D CA -2.042 51.984 54.000 0.044 0.000 0.893 148 D CB 1.772 42.594 40.800 0.037 0.000 1.198 148 D HN 0.340 nan 8.370 nan 0.000 0.514 149 P HA -0.137 nan 4.420 nan 0.000 0.217 149 P C 1.166 178.460 177.300 -0.011 0.000 1.148 149 P CA 1.275 64.369 63.100 -0.011 0.000 0.828 149 P CB 0.346 32.040 31.700 -0.009 0.000 0.783 150 A N -0.049 122.769 122.820 -0.003 0.000 1.858 150 A HA -0.201 4.122 4.320 0.004 0.000 0.216 150 A C 2.089 179.667 177.584 -0.009 0.000 1.190 150 A CA 1.637 53.672 52.037 -0.004 0.000 0.617 150 A CB -1.178 17.823 19.000 0.002 0.000 0.827 150 A HN 0.116 nan 8.150 nan 0.000 0.443 151 K N -0.361 120.033 120.400 -0.009 0.000 2.591 151 K HA 0.242 4.564 4.320 0.004 0.000 0.197 151 K C 0.425 177.009 176.600 -0.026 0.000 1.026 151 K CA 0.432 56.709 56.287 -0.017 0.000 1.127 151 K CB -0.809 31.680 32.500 -0.018 0.000 0.871 151 K HN 0.674 nan 8.250 nan 0.000 0.507 152 G N 0.693 109.478 108.800 -0.026 0.000 2.697 152 G HA2 -0.067 3.895 3.960 0.004 0.000 0.181 152 G HA3 -0.067 3.895 3.960 0.004 0.000 0.181 152 G C 0.238 175.107 174.900 -0.050 0.000 0.306 152 G CA -0.049 45.030 45.100 -0.035 0.000 1.011 152 G HN 0.656 nan 8.290 nan 0.000 0.465 153 G N 1.448 110.208 108.800 -0.066 0.000 2.797 153 G HA2 0.030 3.992 3.960 0.004 0.000 0.686 153 G HA3 0.030 3.992 3.960 0.004 0.000 0.686 153 G C 0.194 175.013 174.900 -0.134 0.000 1.452 153 G CA 0.294 45.334 45.100 -0.099 0.000 0.986 153 G HN 1.255 nan 8.290 nan 0.000 0.595 154 K N 1.236 121.491 120.400 -0.242 0.000 2.440 154 K HA 0.118 4.440 4.320 0.004 0.000 0.270 154 K C 0.927 177.439 176.600 -0.146 0.000 0.980 154 K CA 0.273 56.336 56.287 -0.375 0.000 0.953 154 K CB 0.572 32.593 32.500 -0.798 0.000 0.925 154 K HN 0.525 nan 8.250 nan 0.000 0.497 155 K N 2.905 123.290 120.400 -0.025 0.000 2.401 155 K HA 0.090 4.412 4.320 0.004 0.000 0.278 155 K C -2.266 174.345 176.600 0.018 0.000 1.018 155 K CA -1.499 54.750 56.287 -0.064 0.000 0.981 155 K CB 0.138 32.472 32.500 -0.276 0.000 0.933 155 K HN 0.311 nan 8.250 nan 0.000 0.477 156 P HA -0.013 nan 4.420 nan 0.000 0.271 156 P C -0.839 176.496 177.300 0.060 0.000 1.218 156 P CA -0.254 62.861 63.100 0.023 0.000 0.780 156 P CB 0.655 32.354 31.700 -0.002 0.000 0.901 157 A N 3.823 126.691 122.820 0.081 0.000 2.587 157 A HA -0.018 4.304 4.320 0.004 0.000 0.233 157 A C 0.600 178.235 177.584 0.085 0.000 1.049 157 A CA 0.233 52.330 52.037 0.100 0.000 0.754 157 A CB -0.293 18.754 19.000 0.078 0.000 0.977 157 A HN 0.459 nan 8.150 nan 0.000 0.509 158 R N 0.561 121.128 120.500 0.112 0.000 2.679 158 R HA 0.407 4.749 4.340 0.004 0.000 0.269 158 R C -0.642 175.715 176.300 0.095 0.000 1.076 158 R CA -0.145 56.019 56.100 0.107 0.000 1.160 158 R CB 0.334 30.712 30.300 0.129 0.000 1.054 158 R HN 0.661 nan 8.270 nan 0.000 0.507 159 L N 2.647 123.928 121.223 0.097 0.000 2.325 159 L HA 0.533 4.875 4.340 0.004 0.000 0.278 159 L C -0.367 176.584 176.870 0.134 0.000 1.023 159 L CA -0.885 54.014 54.840 0.098 0.000 0.811 159 L CB 1.596 43.694 42.059 0.066 0.000 1.249 159 L HN 0.483 nan 8.230 nan 0.000 0.431 160 I N 2.438 123.104 120.570 0.161 0.000 2.569 160 I HA 0.563 4.736 4.170 0.004 0.000 0.296 160 I C -1.076 175.196 176.117 0.258 0.000 1.028 160 I CA -0.425 61.003 61.300 0.215 0.000 1.082 160 I CB 2.075 40.205 38.000 0.217 0.000 1.264 160 I HN 0.203 nan 8.210 nan 0.000 0.429 161 V N 8.389 128.457 119.914 0.258 0.000 2.483 161 V HA 0.543 4.665 4.120 0.004 0.000 0.297 161 V C -1.263 174.972 176.094 0.235 0.000 1.027 161 V CA -0.504 61.898 62.300 0.170 0.000 0.855 161 V CB 1.116 33.026 31.823 0.145 0.000 0.995 161 V HN 0.684 nan 8.190 nan 0.000 0.424 162 Y N 4.551 124.903 120.300 0.088 0.000 2.571 162 Y HA 0.933 5.486 4.550 0.005 0.000 0.341 162 Y C -3.191 172.757 175.900 0.079 0.000 1.076 162 Y CA -2.894 55.257 58.100 0.086 0.000 1.029 162 Y CB 1.928 40.431 38.460 0.072 0.000 1.308 162 Y HN 0.414 nan 8.280 nan 0.000 0.461 163 P HA 0.210 nan 4.420 nan 0.000 0.287 163 P C -1.028 176.394 177.300 0.202 0.000 1.296 163 P CA -0.291 62.882 63.100 0.122 0.000 0.811 163 P CB 1.518 33.293 31.700 0.126 0.000 1.211 164 D N -0.912 119.578 120.400 0.150 0.000 2.400 164 D HA -0.044 4.598 4.640 0.004 0.000 0.238 164 D C 1.367 177.778 176.300 0.186 0.000 1.157 164 D CA -0.267 53.830 54.000 0.162 0.000 0.889 164 D CB 0.295 41.210 40.800 0.192 0.000 1.199 164 D HN 0.110 nan 8.370 nan 0.000 0.436 165 L N 3.585 124.886 121.223 0.130 0.000 2.051 165 L HA -0.049 4.293 4.340 0.004 0.000 0.214 165 L C 2.052 179.064 176.870 0.238 0.000 1.076 165 L CA 2.630 57.547 54.840 0.129 0.000 0.758 165 L CB -1.120 40.952 42.059 0.022 0.000 0.890 165 L HN 0.670 nan 8.230 nan 0.000 0.433 166 G N -1.105 107.905 108.800 0.349 0.000 2.469 166 G HA2 -0.245 3.718 3.960 0.004 0.000 0.219 166 G HA3 -0.245 3.718 3.960 0.004 0.000 0.219 166 G C 1.527 176.591 174.900 0.274 0.000 1.150 166 G CA 1.246 46.624 45.100 0.463 0.000 0.763 166 G HN 0.376 nan 8.290 nan 0.000 0.561 167 V N 0.767 120.818 119.914 0.229 0.000 2.358 167 V HA -0.153 3.969 4.120 0.004 0.000 0.246 167 V C 2.924 179.118 176.094 0.167 0.000 1.047 167 V CA 1.929 64.330 62.300 0.169 0.000 1.035 167 V CB -0.468 31.437 31.823 0.136 0.000 0.658 167 V HN 0.343 nan 8.190 nan 0.000 0.452 168 R N -0.210 120.391 120.500 0.168 0.000 2.105 168 R HA -0.127 4.215 4.340 0.004 0.000 0.239 168 R C 2.233 178.606 176.300 0.122 0.000 1.135 168 R CA 1.476 57.663 56.100 0.146 0.000 0.967 168 R CB -0.694 29.679 30.300 0.122 0.000 0.861 168 R HN 0.425 nan 8.270 nan 0.000 0.442 169 V N 0.670 120.656 119.914 0.121 0.000 2.343 169 V HA -0.303 3.820 4.120 0.004 0.000 0.247 169 V C 2.548 178.694 176.094 0.086 0.000 1.051 169 V CA 1.631 63.977 62.300 0.076 0.000 1.036 169 V CB -0.528 31.337 31.823 0.070 0.000 0.654 169 V HN 0.452 nan 8.190 nan 0.000 0.451 170 C N -0.074 119.322 119.300 0.160 0.000 2.413 170 C HA -0.166 4.296 4.460 0.004 0.000 0.277 170 C C 2.662 177.836 174.990 0.307 0.000 1.265 170 C CA 1.005 60.197 59.018 0.289 0.000 1.752 170 C CB -1.088 26.894 27.740 0.402 0.000 1.998 170 C HN 0.626 nan 8.230 nan 0.000 0.489 171 E N 0.722 121.056 120.200 0.223 0.000 2.085 171 E HA -0.220 4.132 4.350 0.004 0.000 0.194 171 E C 2.159 178.877 176.600 0.196 0.000 0.994 171 E CA 1.170 57.707 56.400 0.229 0.000 0.801 171 E CB -0.139 29.702 29.700 0.234 0.000 0.743 171 E HN 0.636 nan 8.360 nan 0.000 0.453 172 K N 0.298 120.780 120.400 0.136 0.000 2.057 172 K HA -0.096 4.227 4.320 0.004 0.000 0.207 172 K C 2.174 178.830 176.600 0.093 0.000 1.049 172 K CA 1.278 57.629 56.287 0.106 0.000 0.931 172 K CB -0.083 32.415 32.500 -0.004 0.000 0.714 172 K HN 0.120 nan 8.250 nan 0.000 0.440 173 M N 0.093 119.709 119.600 0.026 0.000 2.159 173 M HA -0.166 4.317 4.480 0.004 0.000 0.263 173 M C 2.353 178.689 176.300 0.060 0.000 1.063 173 M CA 1.625 56.866 55.300 -0.098 0.000 1.110 173 M CB -0.270 32.045 32.600 -0.476 0.000 1.374 173 M HN 0.230 nan 8.290 nan 0.000 0.411 174 A N -0.575 122.401 122.820 0.259 0.000 1.935 174 A HA 0.082 4.404 4.320 0.004 0.000 0.214 174 A C 1.789 179.474 177.584 0.168 0.000 1.178 174 A CA 1.037 53.277 52.037 0.338 0.000 0.640 174 A CB -0.049 19.178 19.000 0.378 0.000 0.825 174 A HN 0.489 nan 8.150 nan 0.000 0.447 175 L N -3.111 118.188 121.223 0.127 0.000 3.174 175 L HA 0.204 4.546 4.340 0.004 0.000 0.283 175 L C 1.736 178.609 176.870 0.004 0.000 1.187 175 L CA 0.017 54.867 54.840 0.016 0.000 1.018 175 L CB 0.159 42.202 42.059 -0.026 0.000 1.433 175 L HN 0.444 nan 8.230 nan 0.000 0.593 176 Y N 1.419 121.707 120.300 -0.020 0.000 2.145 176 Y HA -0.309 4.243 4.550 0.003 0.000 0.286 176 Y C 2.158 178.041 175.900 -0.028 0.000 1.145 176 Y CA 2.278 60.362 58.100 -0.026 0.000 1.148 176 Y CB 0.088 38.537 38.460 -0.018 0.000 0.981 176 Y HN 0.239 nan 8.280 nan 0.000 0.507 177 D N -0.055 120.315 120.400 -0.050 0.000 2.144 177 D HA -0.199 4.443 4.640 0.004 0.000 0.199 177 D C 2.132 178.318 176.300 -0.190 0.000 0.984 177 D CA 1.681 55.607 54.000 -0.124 0.000 0.834 177 D CB -0.346 40.457 40.800 0.005 0.000 0.955 177 D HN 0.505 nan 8.370 nan 0.000 0.465 178 I N 0.348 120.825 120.570 -0.155 0.000 2.208 178 I HA -0.296 3.876 4.170 0.004 0.000 0.245 178 I C 2.397 178.378 176.117 -0.226 0.000 1.097 178 I CA 1.680 62.878 61.300 -0.170 0.000 1.363 178 I CB -0.607 37.278 38.000 -0.192 0.000 1.051 178 I HN 0.213 nan 8.210 nan 0.000 0.413 179 T N -1.752 112.629 114.554 -0.288 0.000 2.881 179 T HA -0.188 4.165 4.350 0.004 0.000 0.270 179 T C 1.692 176.224 174.700 -0.280 0.000 1.068 179 T CA 0.916 62.852 62.100 -0.274 0.000 1.131 179 T CB -0.181 68.526 68.868 -0.268 0.000 0.871 179 T HN 0.291 nan 8.240 nan 0.000 0.479 180 Q N 0.642 120.230 119.800 -0.352 0.000 2.398 180 Q HA 0.215 4.557 4.340 0.004 0.000 0.204 180 Q C 1.748 177.652 176.000 -0.160 0.000 0.932 180 Q CA 0.817 56.465 55.803 -0.259 0.000 0.916 180 Q CB 0.219 28.768 28.738 -0.315 0.000 1.024 180 Q HN 0.660 nan 8.270 nan 0.000 0.504 181 K N -0.908 119.394 120.400 -0.164 0.000 2.462 181 K HA 0.109 4.432 4.320 0.004 0.000 0.201 181 K C 1.683 178.198 176.600 -0.142 0.000 1.268 181 K CA -0.136 56.077 56.287 -0.123 0.000 0.933 181 K CB 0.306 32.754 32.500 -0.088 0.000 1.162 181 K HN -0.073 nan 8.250 nan 0.000 0.527 182 L N 2.566 123.695 121.223 -0.155 0.000 2.044 182 L HA 0.020 4.362 4.340 0.004 0.000 0.205 182 L C -1.319 175.417 176.870 -0.224 0.000 1.075 182 L CA 1.653 56.412 54.840 -0.136 0.000 0.747 182 L CB -0.688 41.331 42.059 -0.067 0.000 0.903 182 L HN -0.058 nan 8.230 nan 0.000 0.435 183 P HA -0.183 nan 4.420 nan 0.000 0.215 183 P C 1.405 178.349 177.300 -0.593 0.000 1.157 183 P CA 1.471 64.190 63.100 -0.634 0.000 0.868 183 P CB 0.016 30.948 31.700 -1.280 0.000 0.788 184 Q N -0.470 119.038 119.800 -0.486 0.000 2.084 184 Q HA -0.115 4.227 4.340 0.004 0.000 0.202 184 Q C 2.278 178.185 176.000 -0.156 0.000 0.978 184 Q CA 2.039 57.710 55.803 -0.220 0.000 0.844 184 Q CB -1.335 27.342 28.738 -0.102 0.000 0.898 184 Q HN 0.179 nan 8.270 nan 0.000 0.426 185 A N 0.203 122.935 122.820 -0.148 0.000 1.933 185 A HA -0.125 4.197 4.320 0.004 0.000 0.218 185 A C 2.195 179.720 177.584 -0.100 0.000 1.175 185 A CA 1.774 53.753 52.037 -0.096 0.000 0.628 185 A CB -0.682 18.273 19.000 -0.075 0.000 0.814 185 A HN 0.336 nan 8.150 nan 0.000 0.444 186 V N -4.850 114.976 119.914 -0.147 0.000 3.174 186 V HA 0.187 4.310 4.120 0.004 0.000 0.254 186 V C 1.814 177.762 176.094 -0.242 0.000 1.120 186 V CA 1.486 63.703 62.300 -0.139 0.000 1.114 186 V CB -0.286 31.468 31.823 -0.114 0.000 0.756 186 V HN 0.419 nan 8.190 nan 0.000 0.467 187 M N 0.182 119.569 119.600 -0.355 0.000 2.292 187 M HA 0.522 5.004 4.480 0.004 0.000 0.286 187 M C 1.529 177.696 176.300 -0.222 0.000 1.002 187 M CA 0.667 55.628 55.300 -0.566 0.000 1.029 187 M CB 0.912 33.055 32.600 -0.762 0.000 1.537 187 M HN 0.527 nan 8.290 nan 0.000 0.543 188 G N 1.883 110.609 108.800 -0.122 0.000 2.651 188 G HA2 -0.415 3.547 3.960 0.004 0.000 0.315 188 G HA3 -0.415 3.547 3.960 0.004 0.000 0.315 188 G C 0.898 175.802 174.900 0.006 0.000 1.258 188 G CA 0.697 45.780 45.100 -0.028 0.000 1.002 188 G HN 0.521 nan 8.290 nan 0.000 0.551 189 A N -0.872 121.987 122.820 0.066 0.000 2.121 189 A HA 0.295 4.617 4.320 0.004 0.000 0.218 189 A C 2.562 180.132 177.584 -0.023 0.000 1.154 189 A CA 2.453 54.545 52.037 0.091 0.000 0.679 189 A CB -0.440 18.722 19.000 0.269 0.000 0.795 189 A HN 1.223 nan 8.150 nan 0.000 0.458 190 S N -1.466 114.268 115.700 0.057 0.000 2.515 190 S HA -0.011 4.461 4.470 0.004 0.000 0.231 190 S C 0.464 175.070 174.600 0.010 0.000 0.987 190 S CA 0.042 58.296 58.200 0.091 0.000 0.936 190 S CB -0.336 63.001 63.200 0.228 0.000 0.766 190 S HN 0.638 nan 8.310 nan 0.000 0.528 191 Y N 2.786 122.965 120.300 -0.201 0.000 2.486 191 Y HA 0.510 5.062 4.550 0.004 0.000 0.348 191 Y C 1.160 176.874 175.900 -0.310 0.000 1.000 191 Y CA -1.457 56.508 58.100 -0.225 0.000 1.253 191 Y CB 0.079 38.410 38.460 -0.214 0.000 1.140 191 Y HN 0.015 nan 8.280 nan 0.000 0.526 192 G N 4.422 112.873 108.800 -0.581 0.000 2.448 192 G HA2 -0.233 3.729 3.960 0.004 0.000 0.218 192 G HA3 -0.233 3.729 3.960 0.004 0.000 0.218 192 G C 1.022 175.483 174.900 -0.731 0.000 1.135 192 G CA 0.193 44.945 45.100 -0.580 0.000 0.784 192 G HN 0.649 nan 8.290 nan 0.000 0.543 193 F N 1.487 120.916 119.950 -0.869 0.000 2.604 193 F HA 0.012 4.542 4.527 0.004 0.000 0.298 193 F C 2.904 178.522 175.800 -0.303 0.000 1.131 193 F CA 1.009 58.717 58.000 -0.487 0.000 1.457 193 F CB -0.095 38.709 39.000 -0.326 0.000 1.095 193 F HN 0.369 nan 8.300 nan 0.000 0.574 194 Q N -0.730 118.724 119.800 -0.578 0.000 2.435 194 Q HA -0.108 4.234 4.340 0.004 0.000 0.207 194 Q C -0.508 175.338 176.000 -0.257 0.000 0.956 194 Q CA 0.811 56.416 55.803 -0.331 0.000 0.917 194 Q CB -0.422 28.045 28.738 -0.452 0.000 0.997 194 Q HN 0.279 nan 8.270 nan 0.000 0.497 195 Y N 2.296 122.548 120.300 -0.080 0.000 2.326 195 Y HA 0.270 4.822 4.550 0.004 0.000 0.337 195 Y C 0.663 176.363 175.900 -0.333 0.000 1.023 195 Y CA -1.350 56.655 58.100 -0.159 0.000 1.143 195 Y CB 1.270 39.614 38.460 -0.192 0.000 1.183 195 Y HN 0.107 nan 8.280 nan 0.000 0.485 196 S N 3.275 118.663 115.700 -0.521 0.000 2.596 196 S HA 0.163 4.635 4.470 0.004 0.000 0.260 196 S C -1.925 172.417 174.600 -0.430 0.000 1.336 196 S CA -0.944 56.546 58.200 -1.183 0.000 0.993 196 S CB 0.987 63.651 63.200 -0.893 0.000 0.923 196 S HN 0.421 nan 8.310 nan 0.000 0.567 197 P HA -0.078 nan 4.420 nan 0.000 0.216 197 P C 1.645 178.925 177.300 -0.034 0.000 1.153 197 P CA 2.078 65.135 63.100 -0.072 0.000 0.858 197 P CB -0.329 31.384 31.700 0.021 0.000 0.789 198 A N -0.467 122.318 122.820 -0.058 0.000 1.902 198 A HA -0.271 4.051 4.320 0.004 0.000 0.217 198 A C 2.226 179.782 177.584 -0.047 0.000 1.181 198 A CA 1.717 53.751 52.037 -0.006 0.000 0.623 198 A CB -1.333 17.652 19.000 -0.025 0.000 0.818 198 A HN 0.217 nan 8.150 nan 0.000 0.443 199 Q N -1.069 118.678 119.800 -0.088 0.000 2.123 199 Q HA -0.147 4.195 4.340 0.004 0.000 0.199 199 Q C 2.323 178.180 176.000 -0.240 0.000 0.966 199 Q CA 1.372 57.117 55.803 -0.097 0.000 0.845 199 Q CB -0.197 28.555 28.738 0.024 0.000 0.907 199 Q HN 0.762 nan 8.270 nan 0.000 0.439 200 R N 0.563 120.953 120.500 -0.183 0.000 2.081 200 R HA -0.139 4.203 4.340 0.004 0.000 0.235 200 R C 1.972 178.194 176.300 -0.131 0.000 1.131 200 R CA 1.423 57.398 56.100 -0.209 0.000 0.960 200 R CB -0.279 29.976 30.300 -0.074 0.000 0.856 200 R HN 0.076 nan 8.270 nan 0.000 0.436 201 V N 1.635 121.502 119.914 -0.078 0.000 2.295 201 V HA -0.240 3.882 4.120 0.004 0.000 0.246 201 V C 2.457 178.492 176.094 -0.099 0.000 1.049 201 V CA 2.291 64.553 62.300 -0.063 0.000 1.024 201 V CB -0.657 31.169 31.823 0.004 0.000 0.648 201 V HN 0.525 nan 8.190 nan 0.000 0.447 202 E N -0.687 119.459 120.200 -0.089 0.000 2.085 202 E HA -0.295 4.057 4.350 0.004 0.000 0.194 202 E C 2.211 178.742 176.600 -0.115 0.000 0.994 202 E CA 1.845 58.189 56.400 -0.092 0.000 0.801 202 E CB -0.299 29.364 29.700 -0.063 0.000 0.743 202 E HN 0.691 nan 8.360 nan 0.000 0.453 203 Y N 1.135 121.252 120.300 -0.306 0.000 2.145 203 Y HA -0.202 4.350 4.550 0.004 0.000 0.286 203 Y C 1.996 177.775 175.900 -0.202 0.000 1.145 203 Y CA 1.803 59.706 58.100 -0.329 0.000 1.148 203 Y CB -0.293 37.774 38.460 -0.654 0.000 0.981 203 Y HN 0.030 nan 8.280 nan 0.000 0.507 204 L N -0.592 120.524 121.223 -0.177 0.000 2.046 204 L HA -0.258 4.084 4.340 0.004 0.000 0.208 204 L C 2.508 179.265 176.870 -0.188 0.000 1.077 204 L CA 1.298 56.020 54.840 -0.195 0.000 0.747 204 L CB -0.703 41.282 42.059 -0.124 0.000 0.896 204 L HN 0.294 nan 8.230 nan 0.000 0.432 205 L N -0.165 120.938 121.223 -0.199 0.000 2.046 205 L HA -0.243 4.100 4.340 0.004 0.000 0.208 205 L C 2.713 179.507 176.870 -0.126 0.000 1.077 205 L CA 1.237 55.957 54.840 -0.200 0.000 0.747 205 L CB -0.367 41.521 42.059 -0.285 0.000 0.896 205 L HN 0.204 nan 8.230 nan 0.000 0.432 206 K N 0.431 120.732 120.400 -0.166 0.000 2.026 206 K HA -0.136 4.186 4.320 0.004 0.000 0.208 206 K C 2.022 178.526 176.600 -0.160 0.000 1.048 206 K CA 1.592 57.789 56.287 -0.149 0.000 0.929 206 K CB -0.366 32.037 32.500 -0.161 0.000 0.713 206 K HN 0.212 nan 8.250 nan 0.000 0.439 207 A N 0.640 123.301 122.820 -0.265 0.000 1.883 207 A HA -0.201 4.121 4.320 0.004 0.000 0.217 207 A C 2.254 179.793 177.584 -0.076 0.000 1.186 207 A CA 1.561 53.455 52.037 -0.237 0.000 0.624 207 A CB -1.257 17.518 19.000 -0.374 0.000 0.822 207 A HN 0.700 nan 8.150 nan 0.000 0.444 208 W N 0.408 121.580 121.300 -0.214 0.000 2.358 208 W HA -0.150 4.512 4.660 0.004 0.000 0.303 208 W C 2.372 178.816 176.519 -0.124 0.000 1.208 208 W CA 1.824 59.076 57.345 -0.156 0.000 1.274 208 W CB -0.156 29.211 29.460 -0.155 0.000 1.138 208 W HN 0.434 nan 8.180 nan 0.000 0.515 209 A N 0.925 123.774 122.820 0.047 0.000 2.014 209 A HA -0.227 4.096 4.320 0.004 0.000 0.218 209 A C 1.742 179.276 177.584 -0.084 0.000 1.163 209 A CA 1.698 53.723 52.037 -0.020 0.000 0.652 209 A CB -0.848 18.145 19.000 -0.011 0.000 0.808 209 A HN 0.604 nan 8.150 nan 0.000 0.449 210 E N -0.351 119.789 120.200 -0.100 0.000 2.481 210 E HA -0.002 4.350 4.350 0.004 0.000 0.195 210 E C -0.229 176.297 176.600 -0.124 0.000 1.047 210 E CA -0.013 56.328 56.400 -0.098 0.000 0.867 210 E CB 0.030 29.678 29.700 -0.086 0.000 0.858 210 E HN 0.174 nan 8.360 nan 0.000 0.513 211 K N 1.641 121.929 120.400 -0.187 0.000 2.205 211 K HA 0.160 4.483 4.320 0.004 0.000 0.279 211 K C 0.749 177.231 176.600 -0.196 0.000 1.027 211 K CA -0.456 55.703 56.287 -0.212 0.000 0.932 211 K CB 1.289 33.596 32.500 -0.323 0.000 1.032 211 K HN -0.104 nan 8.250 nan 0.000 0.466 212 K N 0.710 121.024 120.400 -0.144 0.000 2.097 212 K HA -0.115 4.207 4.320 0.004 0.000 0.205 212 K C 0.168 176.688 176.600 -0.133 0.000 1.050 212 K CA 1.197 57.416 56.287 -0.113 0.000 0.938 212 K CB 0.079 32.532 32.500 -0.079 0.000 0.718 212 K HN 0.544 nan 8.250 nan 0.000 0.442 213 D N 0.436 120.739 120.400 -0.162 0.000 2.364 213 D HA 0.177 4.819 4.640 0.004 0.000 0.251 213 D C -2.806 173.351 176.300 -0.239 0.000 1.282 213 D CA -2.192 51.713 54.000 -0.158 0.000 0.927 213 D CB 1.292 42.042 40.800 -0.084 0.000 1.267 213 D HN -0.129 nan 8.370 nan 0.000 0.531 214 P HA 0.172 nan 4.420 nan 0.000 0.271 214 P C -0.356 176.586 177.300 -0.597 0.000 1.216 214 P CA -0.460 62.123 63.100 -0.861 0.000 0.771 214 P CB 0.915 31.352 31.700 -2.104 0.000 0.864 215 M N 2.599 121.947 119.600 -0.420 0.000 2.327 215 M HA 0.609 5.092 4.480 0.004 0.000 0.298 215 M C -1.065 175.180 176.300 -0.092 0.000 1.065 215 M CA -0.288 54.859 55.300 -0.255 0.000 0.916 215 M CB 2.434 34.944 32.600 -0.151 0.000 1.630 215 M HN 0.534 nan 8.290 nan 0.000 0.442 216 G N 4.118 112.982 108.800 0.108 0.000 2.574 216 G HA2 0.830 4.792 3.960 0.004 0.000 0.299 216 G HA3 0.830 4.792 3.960 0.004 0.000 0.299 216 G C -1.850 173.126 174.900 0.125 0.000 1.298 216 G CA -0.594 44.589 45.100 0.138 0.000 0.952 216 G HN 0.771 nan 8.290 nan 0.000 0.477 217 F N -0.294 119.624 119.950 -0.053 0.000 2.645 217 F HA 0.808 5.337 4.527 0.004 0.000 0.310 217 F C -0.185 175.607 175.800 -0.014 0.000 1.102 217 F CA -1.492 56.477 58.000 -0.052 0.000 0.952 217 F CB 1.570 40.526 39.000 -0.072 0.000 1.326 217 F HN 0.596 nan 8.300 nan 0.000 0.456 218 S N 1.046 116.845 115.700 0.166 0.000 2.565 218 S HA 0.604 5.077 4.470 0.004 0.000 0.290 218 S C -1.562 173.259 174.600 0.368 0.000 1.150 218 S CA -0.584 57.695 58.200 0.131 0.000 1.058 218 S CB 1.549 64.793 63.200 0.074 0.000 1.032 218 S HN 0.834 nan 8.310 nan 0.000 0.510 219 Y N 1.558 122.001 120.300 0.237 0.000 2.328 219 Y HA 0.446 4.998 4.550 0.004 0.000 0.337 219 Y C -0.831 175.208 175.900 0.230 0.000 0.966 219 Y CA -0.845 57.456 58.100 0.335 0.000 1.136 219 Y CB 1.313 40.083 38.460 0.518 0.000 1.170 219 Y HN 0.833 nan 8.280 nan 0.000 0.470 220 D N 4.510 124.757 120.400 -0.255 0.000 2.396 220 D HA 0.194 4.837 4.640 0.004 0.000 0.225 220 D C -0.731 175.402 176.300 -0.278 0.000 1.121 220 D CA -0.057 53.849 54.000 -0.155 0.000 0.853 220 D CB 0.809 41.548 40.800 -0.101 0.000 1.043 220 D HN 0.491 nan 8.370 nan 0.000 0.500 221 T N 3.864 118.437 114.554 0.031 0.000 2.851 221 T HA 0.120 4.472 4.350 0.004 0.000 0.298 221 T C 0.509 175.296 174.700 0.145 0.000 0.977 221 T CA -0.478 61.727 62.100 0.176 0.000 1.126 221 T CB 0.670 69.868 68.868 0.550 0.000 0.916 221 T HN 0.289 nan 8.240 nan 0.000 0.529 222 R N 2.526 123.067 120.500 0.069 0.000 2.404 222 R HA 0.087 4.430 4.340 0.004 0.000 0.315 222 R C 0.213 176.619 176.300 0.177 0.000 1.032 222 R CA -0.205 55.930 56.100 0.058 0.000 0.992 222 R CB -0.655 29.605 30.300 -0.067 0.000 0.959 222 R HN 0.927 nan 8.270 nan 0.000 0.428 223 C N 6.659 126.099 119.300 0.233 0.000 3.112 223 C HA -0.193 4.270 4.460 0.004 0.000 0.265 223 C C 1.292 176.504 174.990 0.370 0.000 1.283 223 C CA 0.201 59.415 59.018 0.327 0.000 2.378 223 C CB -2.386 25.610 27.740 0.427 0.000 1.500 223 C HN 1.066 nan 8.230 nan 0.000 0.483 224 F N 1.979 122.058 119.950 0.214 0.000 2.087 224 F HA -0.152 4.377 4.527 0.004 0.000 0.299 224 F C 1.826 177.742 175.800 0.194 0.000 1.100 224 F CA 2.592 60.717 58.000 0.208 0.000 1.226 224 F CB -0.095 39.017 39.000 0.187 0.000 0.983 224 F HN 0.588 nan 8.300 nan 0.000 0.479 225 D N -0.476 120.164 120.400 0.399 0.000 2.149 225 D HA -0.164 4.478 4.640 0.004 0.000 0.198 225 D C 2.449 178.808 176.300 0.098 0.000 0.990 225 D CA 1.675 55.837 54.000 0.270 0.000 0.839 225 D CB -0.532 40.428 40.800 0.268 0.000 0.948 225 D HN 0.259 nan 8.370 nan 0.000 0.460 226 S N -0.474 115.290 115.700 0.107 0.000 2.453 226 S HA -0.097 4.375 4.470 0.004 0.000 0.231 226 S C 2.047 176.574 174.600 -0.122 0.000 1.005 226 S CA 1.340 59.483 58.200 -0.095 0.000 0.949 226 S CB -0.187 62.887 63.200 -0.210 0.000 0.774 226 S HN 0.527 nan 8.310 nan 0.000 0.510 227 T N -0.388 114.187 114.554 0.035 0.000 3.055 227 T HA 0.108 4.460 4.350 0.004 0.000 0.265 227 T C 0.669 175.292 174.700 -0.129 0.000 1.111 227 T CA 0.089 62.201 62.100 0.020 0.000 1.118 227 T CB -0.452 68.400 68.868 -0.028 0.000 0.909 227 T HN 0.042 nan 8.240 nan 0.000 0.501 228 V N 4.131 123.931 119.914 -0.190 0.000 2.450 228 V HA 0.265 4.387 4.120 0.004 0.000 0.281 228 V C 1.188 177.231 176.094 -0.085 0.000 1.019 228 V CA -0.126 62.091 62.300 -0.138 0.000 1.062 228 V CB -0.109 31.681 31.823 -0.055 0.000 0.979 228 V HN 0.730 nan 8.190 nan 0.000 0.477 229 T N 1.129 115.647 114.554 -0.061 0.000 2.902 229 T HA 0.327 4.679 4.350 0.004 0.000 0.280 229 T C 1.008 175.688 174.700 -0.033 0.000 0.992 229 T CA -0.600 61.469 62.100 -0.053 0.000 1.015 229 T CB 1.272 70.113 68.868 -0.044 0.000 1.044 229 T HN 0.645 nan 8.240 nan 0.000 0.520 230 E N 0.034 120.215 120.200 -0.032 0.000 2.097 230 E HA -0.207 4.145 4.350 0.004 0.000 0.196 230 E C 2.307 178.907 176.600 -0.001 0.000 1.000 230 E CA 1.174 57.567 56.400 -0.011 0.000 0.804 230 E CB -0.116 29.576 29.700 -0.013 0.000 0.740 230 E HN 0.638 nan 8.360 nan 0.000 0.454 231 R N 0.871 121.364 120.500 -0.012 0.000 2.081 231 R HA -0.177 4.165 4.340 0.004 0.000 0.235 231 R C 1.535 177.837 176.300 0.003 0.000 1.131 231 R CA 1.735 57.831 56.100 -0.008 0.000 0.960 231 R CB -0.004 30.279 30.300 -0.028 0.000 0.856 231 R HN 0.108 nan 8.270 nan 0.000 0.436 232 D N 0.552 120.953 120.400 0.002 0.000 2.123 232 D HA -0.181 4.461 4.640 0.004 0.000 0.196 232 D C 1.898 178.213 176.300 0.025 0.000 0.992 232 D CA 1.451 55.467 54.000 0.027 0.000 0.833 232 D CB -0.143 40.672 40.800 0.025 0.000 0.954 232 D HN 0.351 nan 8.370 nan 0.000 0.455 233 I N 0.513 121.098 120.570 0.025 0.000 2.315 233 I HA -0.179 3.993 4.170 0.004 0.000 0.248 233 I C 2.421 178.553 176.117 0.024 0.000 1.117 233 I CA 0.821 62.144 61.300 0.038 0.000 1.404 233 I CB -0.047 37.996 38.000 0.072 0.000 1.071 233 I HN -0.104 nan 8.210 nan 0.000 0.419 234 R N -0.098 120.417 120.500 0.025 0.000 2.115 234 R HA -0.071 4.271 4.340 0.004 0.000 0.226 234 R C 2.258 178.551 176.300 -0.012 0.000 1.100 234 R CA 1.567 57.682 56.100 0.024 0.000 0.980 234 R CB -0.550 29.772 30.300 0.036 0.000 0.875 234 R HN 0.278 nan 8.270 nan 0.000 0.445 235 T N 1.096 115.643 114.554 -0.013 0.000 2.788 235 T HA -0.129 4.223 4.350 0.004 0.000 0.268 235 T C 1.461 176.089 174.700 -0.120 0.000 1.044 235 T CA 1.315 63.400 62.100 -0.025 0.000 1.139 235 T CB -0.066 68.827 68.868 0.041 0.000 0.867 235 T HN 0.357 nan 8.240 nan 0.000 0.454 236 E N 0.769 120.864 120.200 -0.174 0.000 2.085 236 E HA -0.176 4.176 4.350 0.004 0.000 0.194 236 E C 2.299 178.388 176.600 -0.851 0.000 0.994 236 E CA 1.071 57.204 56.400 -0.445 0.000 0.801 236 E CB -0.094 29.405 29.700 -0.335 0.000 0.743 236 E HN 0.545 nan 8.360 nan 0.000 0.453 237 E N 0.436 120.369 120.200 -0.445 0.000 2.058 237 E HA -0.223 4.129 4.350 0.004 0.000 0.194 237 E C 2.147 178.666 176.600 -0.135 0.000 0.997 237 E CA 1.206 57.469 56.400 -0.228 0.000 0.801 237 E CB -0.063 29.682 29.700 0.075 0.000 0.746 237 E HN 0.069 nan 8.360 nan 0.000 0.450 238 S N -0.016 115.624 115.700 -0.099 0.000 2.383 238 S HA -0.146 4.326 4.470 0.004 0.000 0.229 238 S C 1.954 176.521 174.600 -0.056 0.000 1.030 238 S CA 1.112 59.286 58.200 -0.044 0.000 1.002 238 S CB -0.259 62.925 63.200 -0.028 0.000 0.829 238 S HN 0.306 nan 8.310 nan 0.000 0.467 239 I N 0.136 120.623 120.570 -0.138 0.000 2.252 239 I HA -0.135 4.038 4.170 0.004 0.000 0.245 239 I C 2.000 178.134 176.117 0.028 0.000 1.102 239 I CA 1.084 62.333 61.300 -0.085 0.000 1.385 239 I CB -0.513 37.413 38.000 -0.123 0.000 1.064 239 I HN 0.313 nan 8.210 nan 0.000 0.414 240 Y N 1.050 121.367 120.300 0.028 0.000 2.165 240 Y HA -0.224 4.328 4.550 0.003 0.000 0.286 240 Y C 2.624 178.543 175.900 0.031 0.000 1.155 240 Y CA 0.692 58.810 58.100 0.029 0.000 1.164 240 Y CB -1.149 37.344 38.460 0.055 0.000 0.978 240 Y HN 0.248 nan 8.280 nan 0.000 0.513 241 Q N -0.396 119.507 119.800 0.172 0.000 2.436 241 Q HA 0.055 4.397 4.340 0.004 0.000 0.209 241 Q C 2.330 178.370 176.000 0.066 0.000 0.965 241 Q CA 0.869 56.737 55.803 0.109 0.000 0.910 241 Q CB -0.398 28.387 28.738 0.078 0.000 0.980 241 Q HN 0.524 nan 8.270 nan 0.000 0.491 242 A N 0.201 123.055 122.820 0.056 0.000 2.066 242 A HA -0.064 4.258 4.320 0.004 0.000 0.218 242 A C 1.263 178.868 177.584 0.035 0.000 1.157 242 A CA 0.211 52.268 52.037 0.033 0.000 0.670 242 A CB -0.305 18.707 19.000 0.020 0.000 0.804 242 A HN 0.354 nan 8.150 nan 0.000 0.453 243 C N -0.509 118.822 119.300 0.052 0.000 2.705 243 C HA 0.399 4.861 4.460 0.004 0.000 0.382 243 C C 1.366 176.377 174.990 0.035 0.000 1.322 243 C CA -0.289 58.753 59.018 0.040 0.000 2.290 243 C CB 0.361 28.129 27.740 0.047 0.000 2.650 243 C HN 0.486 nan 8.230 nan 0.000 0.695 244 S N 1.351 117.066 115.700 0.025 0.000 2.416 244 S HA 0.602 5.075 4.470 0.004 0.000 0.287 244 S C -0.797 173.821 174.600 0.029 0.000 1.139 244 S CA -0.363 57.851 58.200 0.024 0.000 1.058 244 S CB -0.618 62.592 63.200 0.016 0.000 0.967 244 S HN 0.498 nan 8.310 nan 0.000 0.495 245 L N 6.188 127.433 121.223 0.036 0.000 2.388 245 L HA 0.607 4.949 4.340 0.004 0.000 0.264 245 L C -2.131 174.766 176.870 0.045 0.000 0.998 245 L CA -2.425 52.442 54.840 0.045 0.000 0.817 245 L CB 2.232 44.327 42.059 0.060 0.000 1.338 245 L HN 0.462 nan 8.230 nan 0.000 0.414 246 P HA 0.009 nan 4.420 nan 0.000 0.269 246 P C 0.241 177.576 177.300 0.059 0.000 1.209 246 P CA -0.124 63.007 63.100 0.052 0.000 0.776 246 P CB 1.047 32.783 31.700 0.060 0.000 0.876 247 E N 1.606 121.834 120.200 0.047 0.000 2.114 247 E HA -0.287 4.066 4.350 0.004 0.000 0.199 247 E C 1.613 178.244 176.600 0.052 0.000 1.008 247 E CA 1.579 58.003 56.400 0.039 0.000 0.810 247 E CB 0.003 29.718 29.700 0.026 0.000 0.739 247 E HN 0.613 nan 8.360 nan 0.000 0.456 248 E N -0.261 119.985 120.200 0.078 0.000 2.118 248 E HA -0.218 4.135 4.350 0.004 0.000 0.195 248 E C 1.913 178.597 176.600 0.141 0.000 0.992 248 E CA 1.083 57.551 56.400 0.113 0.000 0.804 248 E CB -0.154 29.659 29.700 0.188 0.000 0.741 248 E HN 0.360 nan 8.360 nan 0.000 0.458 249 A N 1.324 124.240 122.820 0.161 0.000 1.898 249 A HA -0.163 4.159 4.320 0.004 0.000 0.216 249 A C 2.147 179.796 177.584 0.109 0.000 1.181 249 A CA 1.358 53.499 52.037 0.172 0.000 0.620 249 A CB -0.440 18.648 19.000 0.147 0.000 0.819 249 A HN 0.184 nan 8.150 nan 0.000 0.442 250 R N -0.762 119.788 120.500 0.084 0.000 2.096 250 R HA -0.122 4.220 4.340 0.004 0.000 0.240 250 R C 2.284 178.623 176.300 0.066 0.000 1.139 250 R CA 1.940 58.084 56.100 0.074 0.000 0.952 250 R CB -1.024 29.305 30.300 0.048 0.000 0.854 250 R HN 0.543 nan 8.270 nan 0.000 0.436 251 T N 1.021 115.591 114.554 0.026 0.000 2.674 251 T HA -0.153 4.199 4.350 0.004 0.000 0.265 251 T C 1.999 176.665 174.700 -0.056 0.000 1.039 251 T CA 1.560 63.655 62.100 -0.007 0.000 1.150 251 T CB -0.299 68.538 68.868 -0.053 0.000 0.864 251 T HN 0.412 nan 8.240 nan 0.000 0.427 252 A N 0.848 123.579 122.820 -0.149 0.000 1.933 252 A HA 0.012 4.334 4.320 0.004 0.000 0.218 252 A C 2.301 179.826 177.584 -0.098 0.000 1.175 252 A CA 1.133 52.998 52.037 -0.287 0.000 0.628 252 A CB -0.763 17.913 19.000 -0.540 0.000 0.814 252 A HN 0.528 nan 8.150 nan 0.000 0.444 253 I N -1.475 119.116 120.570 0.035 0.000 2.252 253 I HA -0.237 3.935 4.170 0.004 0.000 0.245 253 I C 2.496 178.690 176.117 0.128 0.000 1.102 253 I CA 1.713 63.087 61.300 0.123 0.000 1.385 253 I CB -0.384 37.730 38.000 0.190 0.000 1.064 253 I HN 0.545 nan 8.210 nan 0.000 0.414 254 H N 0.662 119.748 119.070 0.026 0.000 2.357 254 H HA -0.110 4.448 4.556 0.004 0.000 0.301 254 H C 2.352 177.658 175.328 -0.036 0.000 1.082 254 H CA 1.971 58.028 56.048 0.014 0.000 1.342 254 H CB 0.026 29.787 29.762 -0.000 0.000 1.389 254 H HN 0.108 nan 8.280 nan 0.000 0.511 255 S N 0.011 115.609 115.700 -0.169 0.000 2.356 255 S HA -0.102 4.370 4.470 0.004 0.000 0.223 255 S C 2.318 176.752 174.600 -0.278 0.000 1.032 255 S CA 1.218 59.270 58.200 -0.246 0.000 1.005 255 S CB -0.316 62.766 63.200 -0.197 0.000 0.867 255 S HN 0.353 nan 8.310 nan 0.000 0.449 256 L N 1.042 122.099 121.223 -0.276 0.000 2.079 256 L HA -0.146 4.196 4.340 0.004 0.000 0.210 256 L C 2.693 179.207 176.870 -0.594 0.000 1.081 256 L CA 1.196 55.757 54.840 -0.465 0.000 0.752 256 L CB -1.109 40.663 42.059 -0.478 0.000 0.896 256 L HN 0.314 nan 8.230 nan 0.000 0.433 257 T N -1.019 113.368 114.554 -0.278 0.000 2.708 257 T HA -0.158 4.195 4.350 0.004 0.000 0.266 257 T C 1.793 176.418 174.700 -0.125 0.000 1.037 257 T CA 1.233 63.303 62.100 -0.050 0.000 1.146 257 T CB -0.079 68.846 68.868 0.094 0.000 0.865 257 T HN 0.269 nan 8.240 nan 0.000 0.435 258 E N 0.774 120.826 120.200 -0.247 0.000 2.216 258 E HA 0.057 4.409 4.350 0.004 0.000 0.192 258 E C 2.329 178.843 176.600 -0.142 0.000 0.988 258 E CA 0.644 56.924 56.400 -0.201 0.000 0.834 258 E CB -0.038 29.478 29.700 -0.306 0.000 0.772 258 E HN 0.450 nan 8.360 nan 0.000 0.479 259 R N -0.482 119.910 120.500 -0.179 0.000 2.189 259 R HA 0.106 4.448 4.340 0.004 0.000 0.203 259 R C 1.798 178.022 176.300 -0.126 0.000 1.012 259 R CA 0.355 56.376 56.100 -0.131 0.000 1.015 259 R CB 0.292 30.509 30.300 -0.138 0.000 0.938 259 R HN 0.031 nan 8.270 nan 0.000 0.472 260 L N -2.153 118.955 121.223 -0.191 0.000 2.775 260 L HA 0.184 4.526 4.340 0.004 0.000 0.175 260 L C 1.314 178.175 176.870 -0.016 0.000 1.110 260 L CA 0.754 55.499 54.840 -0.158 0.000 0.862 260 L CB -0.369 41.522 42.059 -0.281 0.000 1.381 260 L HN -0.136 nan 8.230 nan 0.000 0.499 261 Y N 0.766 121.073 120.300 0.012 0.000 2.181 261 Y HA -0.094 4.459 4.550 0.005 0.000 0.288 261 Y C 2.669 178.574 175.900 0.007 0.000 1.146 261 Y CA 1.679 59.799 58.100 0.032 0.000 1.164 261 Y CB -1.433 37.071 38.460 0.072 0.000 0.982 261 Y HN 0.229 nan 8.280 nan 0.000 0.515 262 V N -2.607 117.385 119.914 0.129 0.000 3.041 262 V HA 0.461 4.583 4.120 0.004 0.000 0.260 262 V C 0.941 177.050 176.094 0.026 0.000 1.105 262 V CA 1.018 63.358 62.300 0.066 0.000 1.125 262 V CB -0.717 31.130 31.823 0.040 0.000 0.730 262 V HN 0.403 nan 8.190 nan 0.000 0.479 263 G N -2.307 106.493 108.800 -0.001 0.000 2.337 263 G HA2 0.599 4.561 3.960 0.004 0.000 0.298 263 G HA3 0.599 4.561 3.960 0.004 0.000 0.298 263 G C -0.515 174.263 174.900 -0.203 0.000 1.335 263 G CA 0.029 45.085 45.100 -0.072 0.000 0.875 263 G HN 1.589 nan 8.290 nan 0.000 0.579 264 G N -0.849 107.575 108.800 -0.627 0.000 2.321 264 G HA2 0.694 4.656 3.960 0.004 0.000 0.298 264 G HA3 0.694 4.656 3.960 0.004 0.000 0.298 264 G C -3.482 170.707 174.900 -1.185 0.000 1.385 264 G CA 0.071 44.683 45.100 -0.814 0.000 0.856 264 G HN 0.797 nan 8.290 nan 0.000 0.584 265 P HA 0.387 nan 4.420 nan 0.000 0.275 265 P C -0.458 176.626 177.300 -0.360 0.000 1.227 265 P CA 0.033 62.844 63.100 -0.482 0.000 0.781 265 P CB 0.859 32.463 31.700 -0.160 0.000 0.906 266 M N 2.655 121.989 119.600 -0.443 0.000 2.364 266 M HA 0.468 4.950 4.480 0.004 0.000 0.334 266 M C -0.633 175.390 176.300 -0.462 0.000 1.107 266 M CA -0.481 54.648 55.300 -0.285 0.000 0.988 266 M CB 1.346 33.829 32.600 -0.196 0.000 1.673 266 M HN 0.168 nan 8.290 nan 0.000 0.441 267 F N 1.316 121.225 119.950 -0.068 0.000 2.546 267 F HA 0.430 4.958 4.527 0.002 0.000 0.320 267 F C 0.427 176.204 175.800 -0.038 0.000 1.076 267 F CA -1.030 56.945 58.000 -0.042 0.000 0.928 267 F CB 1.178 40.145 39.000 -0.056 0.000 1.189 267 F HN 0.587 nan 8.300 nan 0.000 0.465 268 N N -0.614 118.178 118.700 0.153 0.000 2.364 268 N HA 0.116 4.858 4.740 0.004 0.000 0.264 268 N C 0.845 176.404 175.510 0.082 0.000 1.263 268 N CA -0.015 53.092 53.050 0.095 0.000 0.959 268 N CB 0.061 38.595 38.487 0.078 0.000 1.204 268 N HN 0.534 nan 8.380 nan 0.000 0.550 269 S N -1.329 114.404 115.700 0.056 0.000 2.447 269 S HA -0.070 4.402 4.470 0.004 0.000 0.233 269 S C 1.049 175.665 174.600 0.027 0.000 1.006 269 S CA 0.548 58.770 58.200 0.038 0.000 0.957 269 S CB -0.431 62.796 63.200 0.044 0.000 0.773 269 S HN 0.597 nan 8.310 nan 0.000 0.507 270 K N 0.763 121.187 120.400 0.040 0.000 2.487 270 K HA 0.203 4.525 4.320 0.004 0.000 0.192 270 K C 1.342 177.962 176.600 0.035 0.000 1.027 270 K CA 0.413 56.719 56.287 0.032 0.000 1.054 270 K CB -0.296 32.227 32.500 0.037 0.000 0.824 270 K HN 0.581 nan 8.250 nan 0.000 0.510 271 G N 1.739 110.573 108.800 0.056 0.000 2.159 271 G HA2 -0.301 3.661 3.960 0.004 0.000 0.256 271 G HA3 -0.301 3.661 3.960 0.004 0.000 0.256 271 G C -0.198 174.821 174.900 0.198 0.000 0.977 271 G CA -0.043 45.095 45.100 0.063 0.000 0.652 271 G HN 0.369 nan 8.290 nan 0.000 0.531 272 Q N 0.936 120.845 119.800 0.182 0.000 2.327 272 Q HA 0.464 4.806 4.340 0.004 0.000 0.254 272 Q C 0.293 176.412 176.000 0.199 0.000 0.952 272 Q CA 0.152 56.061 55.803 0.177 0.000 0.884 272 Q CB 0.709 29.504 28.738 0.096 0.000 1.224 272 Q HN 0.235 nan 8.270 nan 0.000 0.422 273 T N 1.112 115.732 114.554 0.110 0.000 2.829 273 T HA -0.037 4.315 4.350 0.004 0.000 0.293 273 T C 0.438 175.058 174.700 -0.133 0.000 0.970 273 T CA -0.235 61.732 62.100 -0.222 0.000 1.168 273 T CB 0.408 69.164 68.868 -0.187 0.000 0.911 273 T HN 0.766 nan 8.240 nan 0.000 0.535 274 C N 3.128 122.313 119.300 -0.192 0.000 2.689 274 C HA 0.629 5.091 4.460 0.004 0.000 0.336 274 C C 1.287 176.297 174.990 0.033 0.000 1.304 274 C CA 0.801 59.819 59.018 -0.000 0.000 1.860 274 C CB -0.780 26.996 27.740 0.060 0.000 2.405 274 C HN 1.094 nan 8.230 nan 0.000 0.557 275 G N -1.537 107.162 108.800 -0.168 0.000 2.341 275 G HA2 0.431 4.393 3.960 0.004 0.000 0.299 275 G HA3 0.431 4.393 3.960 0.004 0.000 0.299 275 G C -2.414 172.337 174.900 -0.249 0.000 1.274 275 G CA -0.227 44.714 45.100 -0.265 0.000 0.853 275 G HN 0.163 nan 8.290 nan 0.000 0.493 276 Y N 0.409 120.482 120.300 -0.378 0.000 2.457 276 Y HA 0.741 5.293 4.550 0.003 0.000 0.343 276 Y C -0.008 175.742 175.900 -0.251 0.000 0.994 276 Y CA -0.926 57.017 58.100 -0.262 0.000 1.031 276 Y CB 2.008 40.343 38.460 -0.209 0.000 1.246 276 Y HN 0.675 nan 8.280 nan 0.000 0.449 277 R N 4.895 125.205 120.500 -0.317 0.000 2.460 277 R HA 0.561 4.903 4.340 0.004 0.000 0.303 277 R C -0.707 175.476 176.300 -0.195 0.000 0.968 277 R CA -0.585 55.335 56.100 -0.300 0.000 0.889 277 R CB 0.910 31.079 30.300 -0.218 0.000 1.123 277 R HN 0.929 nan 8.270 nan 0.000 0.455 278 R N 3.088 123.419 120.500 -0.280 0.000 2.659 278 R HA 0.217 4.560 4.340 0.004 0.000 0.418 278 R C -0.538 175.636 176.300 -0.209 0.000 1.076 278 R CA -0.333 55.678 56.100 -0.148 0.000 1.093 278 R CB 0.455 30.697 30.300 -0.096 0.000 1.400 278 R HN 0.774 nan 8.270 nan 0.000 0.583 279 C N -1.801 117.328 119.300 -0.285 0.000 3.321 279 C HA 0.620 5.082 4.460 0.004 0.000 0.363 279 C C -0.220 174.705 174.990 -0.109 0.000 1.705 279 C CA -1.557 57.327 59.018 -0.223 0.000 1.298 279 C CB 1.209 28.739 27.740 -0.351 0.000 2.086 279 C HN 0.367 nan 8.230 nan 0.000 0.438 280 R N 1.276 121.759 120.500 -0.029 0.000 2.538 280 R HA 0.443 4.785 4.340 0.004 0.000 0.282 280 R C 0.101 176.456 176.300 0.091 0.000 1.009 280 R CA 1.020 57.157 56.100 0.062 0.000 1.063 280 R CB -0.199 30.178 30.300 0.128 0.000 0.945 280 R HN 1.225 nan 8.270 nan 0.000 0.414 281 A N 3.754 126.644 122.820 0.116 0.000 2.362 281 A HA 0.225 4.548 4.320 0.004 0.000 0.276 281 A C 0.953 178.635 177.584 0.164 0.000 1.153 281 A CA 0.072 52.199 52.037 0.151 0.000 0.813 281 A CB 0.393 19.495 19.000 0.169 0.000 1.081 281 A HN 1.009 nan 8.150 nan 0.000 0.507 282 S N 2.112 117.924 115.700 0.187 0.000 2.489 282 S HA 0.070 4.542 4.470 0.004 0.000 0.228 282 S C 1.087 175.783 174.600 0.160 0.000 0.995 282 S CA 0.724 59.030 58.200 0.177 0.000 0.934 282 S CB 0.105 63.418 63.200 0.189 0.000 0.771 282 S HN 1.230 nan 8.310 nan 0.000 0.522 283 G N 1.944 110.857 108.800 0.189 0.000 4.644 283 G HA2 0.525 4.487 3.960 0.004 0.000 0.307 283 G HA3 0.525 4.487 3.960 0.004 0.000 0.307 283 G C -0.149 174.864 174.900 0.189 0.000 1.331 283 G CA -0.164 45.048 45.100 0.186 0.000 1.059 283 G HN 0.519 nan 8.290 nan 0.000 0.590 284 V N -2.399 117.609 119.914 0.156 0.000 3.113 284 V HA 0.599 4.722 4.120 0.004 0.000 0.316 284 V C 1.413 177.561 176.094 0.090 0.000 1.125 284 V CA -0.942 61.462 62.300 0.173 0.000 1.026 284 V CB 1.675 33.664 31.823 0.278 0.000 1.080 284 V HN 0.082 nan 8.190 nan 0.000 0.444 285 L N 2.165 123.452 121.223 0.107 0.000 2.079 285 L HA -0.057 4.285 4.340 0.004 0.000 0.210 285 L C 2.269 179.121 176.870 -0.030 0.000 1.081 285 L CA 3.115 57.988 54.840 0.055 0.000 0.752 285 L CB -0.739 41.383 42.059 0.105 0.000 0.896 285 L HN 1.096 nan 8.230 nan 0.000 0.433 286 T N -5.928 108.538 114.554 -0.147 0.000 3.129 286 T HA 0.018 4.370 4.350 0.004 0.000 0.251 286 T C 1.551 176.187 174.700 -0.106 0.000 1.117 286 T CA 0.674 62.649 62.100 -0.208 0.000 1.034 286 T CB -0.690 67.890 68.868 -0.480 0.000 0.968 286 T HN 0.280 nan 8.240 nan 0.000 0.526 287 T N 1.906 116.430 114.554 -0.051 0.000 2.652 287 T HA -0.152 4.200 4.350 0.004 0.000 0.267 287 T C 2.194 176.930 174.700 0.059 0.000 1.039 287 T CA 1.805 63.922 62.100 0.028 0.000 1.153 287 T CB -0.619 68.287 68.868 0.064 0.000 0.863 287 T HN 0.520 nan 8.240 nan 0.000 0.428 288 S N 0.403 116.120 115.700 0.028 0.000 2.345 288 S HA -0.002 4.470 4.470 0.004 0.000 0.219 288 S C 2.144 176.805 174.600 0.102 0.000 1.031 288 S CA 1.369 59.596 58.200 0.044 0.000 0.984 288 S CB -0.424 62.711 63.200 -0.109 0.000 0.874 288 S HN 0.484 nan 8.310 nan 0.000 0.451 289 M N 0.873 120.507 119.600 0.055 0.000 2.080 289 M HA -0.052 4.430 4.480 0.004 0.000 0.260 289 M C 2.025 178.403 176.300 0.129 0.000 1.068 289 M CA 2.076 57.426 55.300 0.084 0.000 1.109 289 M CB -0.894 31.711 32.600 0.009 0.000 1.342 289 M HN 0.437 nan 8.290 nan 0.000 0.405 290 G N 0.258 109.134 108.800 0.126 0.000 2.421 290 G HA2 -0.255 3.707 3.960 0.004 0.000 0.216 290 G HA3 -0.255 3.707 3.960 0.004 0.000 0.216 290 G C 1.191 176.207 174.900 0.195 0.000 1.171 290 G CA 1.081 46.276 45.100 0.159 0.000 0.775 290 G HN 0.465 nan 8.290 nan 0.000 0.543 291 N N 0.478 119.296 118.700 0.195 0.000 2.104 291 N HA -0.087 4.655 4.740 0.004 0.000 0.190 291 N C 2.390 177.966 175.510 0.110 0.000 1.024 291 N CA 1.651 54.820 53.050 0.197 0.000 0.853 291 N CB -0.754 37.756 38.487 0.039 0.000 1.008 291 N HN 0.254 nan 8.380 nan 0.000 0.424 292 T N 1.555 116.197 114.554 0.146 0.000 2.674 292 T HA 0.010 4.362 4.350 0.004 0.000 0.265 292 T C 2.117 176.930 174.700 0.187 0.000 1.039 292 T CA 0.744 62.947 62.100 0.172 0.000 1.150 292 T CB -0.213 68.824 68.868 0.282 0.000 0.864 292 T HN 0.168 nan 8.240 nan 0.000 0.427 293 I N 0.968 121.635 120.570 0.163 0.000 2.226 293 I HA -0.178 3.994 4.170 0.004 0.000 0.245 293 I C 2.717 178.969 176.117 0.225 0.000 1.100 293 I CA 1.168 62.559 61.300 0.153 0.000 1.374 293 I CB -0.536 37.522 38.000 0.097 0.000 1.057 293 I HN 0.250 nan 8.210 nan 0.000 0.413 294 T N -0.411 114.287 114.554 0.241 0.000 2.857 294 T HA -0.196 4.156 4.350 0.004 0.000 0.266 294 T C 2.050 176.969 174.700 0.364 0.000 1.048 294 T CA 1.269 63.537 62.100 0.280 0.000 1.139 294 T CB -0.423 68.626 68.868 0.302 0.000 0.874 294 T HN 0.491 nan 8.240 nan 0.000 0.455 295 C N 0.746 120.306 119.300 0.433 0.000 2.413 295 C HA -0.125 4.337 4.460 0.004 0.000 0.276 295 C C 2.361 177.526 174.990 0.292 0.000 1.236 295 C CA 0.696 59.954 59.018 0.399 0.000 1.735 295 C CB -1.401 26.434 27.740 0.159 0.000 2.031 295 C HN 0.659 nan 8.230 nan 0.000 0.474 296 Y N 1.254 121.639 120.300 0.141 0.000 2.128 296 Y HA -0.153 4.399 4.550 0.004 0.000 0.284 296 Y C 2.268 178.214 175.900 0.076 0.000 1.154 296 Y CA 2.464 60.625 58.100 0.102 0.000 1.149 296 Y CB -0.550 37.955 38.460 0.075 0.000 0.976 296 Y HN 0.214 nan 8.280 nan 0.000 0.505 297 V N 0.750 120.727 119.914 0.106 0.000 2.295 297 V HA -0.330 3.792 4.120 0.004 0.000 0.246 297 V C 2.274 178.289 176.094 -0.131 0.000 1.049 297 V CA 2.424 64.665 62.300 -0.098 0.000 1.024 297 V CB -0.674 31.076 31.823 -0.122 0.000 0.648 297 V HN 0.336 nan 8.190 nan 0.000 0.447 298 K N 0.265 120.686 120.400 0.034 0.000 2.057 298 K HA -0.122 4.201 4.320 0.004 0.000 0.207 298 K C 2.326 178.998 176.600 0.121 0.000 1.049 298 K CA 1.506 57.861 56.287 0.113 0.000 0.931 298 K CB -0.443 32.201 32.500 0.241 0.000 0.714 298 K HN 0.475 nan 8.250 nan 0.000 0.440 299 A N 1.247 124.118 122.820 0.086 0.000 1.898 299 A HA -0.145 4.178 4.320 0.004 0.000 0.216 299 A C 2.081 179.734 177.584 0.115 0.000 1.181 299 A CA 1.126 53.247 52.037 0.140 0.000 0.620 299 A CB -0.473 18.649 19.000 0.204 0.000 0.819 299 A HN 0.211 nan 8.150 nan 0.000 0.442 300 L N -0.302 120.852 121.223 -0.115 0.000 2.056 300 L HA 0.018 4.361 4.340 0.004 0.000 0.207 300 L C 2.684 179.537 176.870 -0.029 0.000 1.078 300 L CA 2.012 56.758 54.840 -0.157 0.000 0.749 300 L CB -0.864 40.927 42.059 -0.447 0.000 0.901 300 L HN 0.343 nan 8.230 nan 0.000 0.433 301 A N -0.478 122.330 122.820 -0.019 0.000 1.908 301 A HA -0.140 4.182 4.320 0.004 0.000 0.218 301 A C 2.437 180.149 177.584 0.213 0.000 1.181 301 A CA 1.878 53.977 52.037 0.104 0.000 0.627 301 A CB -1.141 17.873 19.000 0.023 0.000 0.818 301 A HN 0.544 nan 8.150 nan 0.000 0.445 302 A N -1.147 121.801 122.820 0.213 0.000 1.930 302 A HA -0.134 4.188 4.320 0.004 0.000 0.217 302 A C 2.272 179.925 177.584 0.114 0.000 1.175 302 A CA 1.572 53.592 52.037 -0.029 0.000 0.627 302 A CB -1.225 17.412 19.000 -0.606 0.000 0.815 302 A HN 0.602 nan 8.150 nan 0.000 0.443 303 C N -0.459 119.012 119.300 0.286 0.000 2.429 303 C HA -0.098 4.365 4.460 0.004 0.000 0.277 303 C C 2.727 177.758 174.990 0.069 0.000 1.262 303 C CA 1.370 60.539 59.018 0.250 0.000 1.733 303 C CB -1.007 26.833 27.740 0.168 0.000 2.010 303 C HN 0.621 nan 8.230 nan 0.000 0.483 304 K N 1.155 121.555 120.400 -0.001 0.000 2.025 304 K HA -0.057 4.265 4.320 0.004 0.000 0.207 304 K C 2.302 178.667 176.600 -0.392 0.000 1.049 304 K CA 1.492 57.718 56.287 -0.103 0.000 0.933 304 K CB -0.362 32.140 32.500 0.002 0.000 0.714 304 K HN 0.452 nan 8.250 nan 0.000 0.438 305 A N 1.545 124.040 122.820 -0.541 0.000 1.940 305 A HA -0.128 4.194 4.320 0.004 0.000 0.219 305 A C 2.305 179.738 177.584 -0.252 0.000 1.176 305 A CA 1.972 53.626 52.037 -0.639 0.000 0.631 305 A CB -0.581 18.241 19.000 -0.296 0.000 0.814 305 A HN 0.347 nan 8.150 nan 0.000 0.446 306 A N -2.182 120.572 122.820 -0.109 0.000 2.123 306 A HA 0.409 4.732 4.320 0.004 0.000 0.214 306 A C 1.826 179.405 177.584 -0.009 0.000 1.152 306 A CA 1.277 53.302 52.037 -0.019 0.000 0.728 306 A CB -0.735 18.318 19.000 0.087 0.000 0.814 306 A HN 1.951 nan 8.150 nan 0.000 0.464 307 G N -0.503 108.285 108.800 -0.021 0.000 2.149 307 G HA2 -0.171 3.791 3.960 0.004 0.000 0.235 307 G HA3 -0.171 3.791 3.960 0.004 0.000 0.235 307 G C -0.035 174.876 174.900 0.017 0.000 1.018 307 G CA -0.013 45.084 45.100 -0.003 0.000 0.728 307 G HN 0.295 nan 8.290 nan 0.000 0.508 308 I N 0.779 121.373 120.570 0.040 0.000 2.668 308 I HA 0.080 4.252 4.170 0.004 0.000 0.285 308 I C 1.153 177.282 176.117 0.020 0.000 1.168 308 I CA 0.012 61.337 61.300 0.041 0.000 1.424 308 I CB 0.891 38.933 38.000 0.069 0.000 1.377 308 I HN -0.068 nan 8.210 nan 0.000 0.560 309 V N 6.880 126.799 119.914 0.007 0.000 2.368 309 V HA 0.389 4.511 4.120 0.004 0.000 0.266 309 V C 0.772 176.856 176.094 -0.018 0.000 1.045 309 V CA -0.338 61.959 62.300 -0.004 0.000 0.899 309 V CB 0.668 32.485 31.823 -0.009 0.000 1.006 309 V HN 1.012 nan 8.190 nan 0.000 0.470 310 A N 6.093 128.905 122.820 -0.014 0.000 2.546 310 A HA -0.071 4.252 4.320 0.004 0.000 0.295 310 A C -2.138 175.427 177.584 -0.032 0.000 1.455 310 A CA -0.140 51.883 52.037 -0.023 0.000 0.730 310 A CB -1.566 17.412 19.000 -0.038 0.000 1.111 310 A HN 0.614 nan 8.150 nan 0.000 0.411 311 P HA 0.465 nan 4.420 nan 0.000 0.281 311 P C -0.182 177.109 177.300 -0.016 0.000 1.252 311 P CA 0.310 63.391 63.100 -0.032 0.000 0.778 311 P CB 1.217 32.906 31.700 -0.018 0.000 0.895 312 T N 4.604 119.137 114.554 -0.036 0.000 2.786 312 T HA 0.527 4.880 4.350 0.004 0.000 0.283 312 T C 0.163 174.877 174.700 0.024 0.000 0.992 312 T CA -0.375 61.727 62.100 0.004 0.000 0.954 312 T CB 0.451 69.280 68.868 -0.065 0.000 0.934 312 T HN 0.273 nan 8.240 nan 0.000 0.440 313 M N 3.158 122.835 119.600 0.128 0.000 2.578 313 M HA 0.608 5.091 4.480 0.004 0.000 0.321 313 M C -1.205 175.240 176.300 0.243 0.000 1.182 313 M CA -1.142 54.234 55.300 0.126 0.000 0.965 313 M CB 2.082 34.764 32.600 0.137 0.000 1.694 313 M HN 0.325 nan 8.290 nan 0.000 0.461 314 L N 2.917 124.235 121.223 0.158 0.000 2.372 314 L HA 0.599 4.941 4.340 0.004 0.000 0.273 314 L C -1.493 175.393 176.870 0.027 0.000 0.989 314 L CA -0.443 54.472 54.840 0.125 0.000 0.841 314 L CB 1.624 43.770 42.059 0.145 0.000 1.225 314 L HN 0.466 nan 8.230 nan 0.000 0.414 315 V N 4.158 124.076 119.914 0.007 0.000 2.409 315 V HA 0.449 4.571 4.120 0.004 0.000 0.291 315 V C -0.610 175.376 176.094 -0.181 0.000 1.020 315 V CA -0.453 61.841 62.300 -0.010 0.000 0.848 315 V CB 1.464 33.368 31.823 0.135 0.000 0.990 315 V HN 0.855 nan 8.190 nan 0.000 0.430 316 C N 4.827 123.956 119.300 -0.284 0.000 2.521 316 C HA 0.774 5.237 4.460 0.004 0.000 0.291 316 C C 1.294 176.162 174.990 -0.204 0.000 1.074 316 C CA -0.079 58.553 59.018 -0.644 0.000 1.495 316 C CB -0.425 26.759 27.740 -0.928 0.000 1.862 316 C HN 1.358 nan 8.230 nan 0.000 0.418 317 G N 4.330 113.196 108.800 0.110 0.000 2.591 317 G HA2 -0.310 3.652 3.960 0.004 0.000 0.298 317 G HA3 -0.310 3.652 3.960 0.004 0.000 0.298 317 G C 0.772 175.555 174.900 -0.196 0.000 1.195 317 G CA 0.939 46.095 45.100 0.094 0.000 0.989 317 G HN 0.738 nan 8.290 nan 0.000 0.551 318 D N 1.327 121.527 120.400 -0.334 0.000 2.349 318 D HA 0.074 4.717 4.640 0.004 0.000 0.224 318 D C 0.416 176.612 176.300 -0.174 0.000 1.029 318 D CA 0.841 54.485 54.000 -0.592 0.000 0.879 318 D CB -0.158 40.279 40.800 -0.605 0.000 0.906 318 D HN 0.435 nan 8.370 nan 0.000 0.528 319 D N 0.659 121.002 120.400 -0.096 0.000 2.295 319 D HA 0.270 4.912 4.640 0.004 0.000 0.248 319 D C -1.031 175.260 176.300 -0.016 0.000 1.154 319 D CA -0.521 53.459 54.000 -0.034 0.000 0.857 319 D CB 1.077 41.841 40.800 -0.060 0.000 1.117 319 D HN 0.029 nan 8.370 nan 0.000 0.468 320 L N 5.057 126.313 121.223 0.055 0.000 2.406 320 L HA 0.413 4.755 4.340 0.004 0.000 0.272 320 L C -1.598 175.284 176.870 0.019 0.000 0.980 320 L CA -0.630 54.257 54.840 0.077 0.000 0.831 320 L CB 1.887 44.071 42.059 0.207 0.000 1.253 320 L HN 0.113 nan 8.230 nan 0.000 0.406 321 V N 5.401 125.283 119.914 -0.054 0.000 2.604 321 V HA 0.692 4.814 4.120 0.004 0.000 0.305 321 V C -0.777 175.155 176.094 -0.270 0.000 1.043 321 V CA -0.653 61.552 62.300 -0.158 0.000 0.888 321 V CB 2.200 33.971 31.823 -0.087 0.000 0.995 321 V HN 0.503 nan 8.190 nan 0.000 0.429 322 V N 6.119 125.679 119.914 -0.590 0.000 2.483 322 V HA 0.540 4.662 4.120 0.004 0.000 0.297 322 V C -0.500 175.308 176.094 -0.476 0.000 1.027 322 V CA -0.355 61.573 62.300 -0.620 0.000 0.855 322 V CB 1.769 32.953 31.823 -1.065 0.000 0.995 322 V HN 0.687 nan 8.190 nan 0.000 0.424 323 I N 4.786 125.227 120.570 -0.216 0.000 2.378 323 I HA 0.721 4.893 4.170 0.004 0.000 0.291 323 I C 0.225 176.267 176.117 -0.124 0.000 0.992 323 I CA 0.140 61.375 61.300 -0.109 0.000 1.154 323 I CB 2.015 40.013 38.000 -0.003 0.000 1.315 323 I HN 0.814 nan 8.210 nan 0.000 0.448 324 S N 4.048 119.671 115.700 -0.128 0.000 2.705 324 S HA 0.492 4.964 4.470 0.004 0.000 0.280 324 S C -1.051 173.469 174.600 -0.133 0.000 1.174 324 S CA -1.090 57.046 58.200 -0.106 0.000 0.823 324 S CB 1.768 64.938 63.200 -0.049 0.000 1.162 324 S HN 0.407 nan 8.310 nan 0.000 0.487 325 E N 1.880 122.023 120.200 -0.095 0.000 2.257 325 E HA 0.255 4.607 4.350 0.004 0.000 0.278 325 E C -0.157 176.415 176.600 -0.047 0.000 1.049 325 E CA 0.049 56.395 56.400 -0.091 0.000 0.876 325 E CB 1.417 31.077 29.700 -0.067 0.000 1.035 325 E HN 0.579 nan 8.360 nan 0.000 0.419 326 S N 2.902 118.582 115.700 -0.033 0.000 2.549 326 S HA -0.013 4.459 4.470 0.004 0.000 0.283 326 S C 0.655 175.269 174.600 0.023 0.000 1.320 326 S CA -0.167 58.062 58.200 0.047 0.000 1.058 326 S CB 0.388 63.675 63.200 0.146 0.000 0.882 326 S HN 0.285 nan 8.310 nan 0.000 0.498 327 Q N 2.670 122.491 119.800 0.034 0.000 2.198 327 Q HA 0.309 4.651 4.340 0.004 0.000 0.209 327 Q C 0.794 176.801 176.000 0.012 0.000 0.848 327 Q CA 0.504 56.316 55.803 0.013 0.000 0.974 327 Q CB 0.470 29.215 28.738 0.011 0.000 1.115 327 Q HN 1.026 nan 8.270 nan 0.000 0.494 328 G N -0.212 108.601 108.800 0.021 0.000 2.515 328 G HA2 -0.191 3.771 3.960 0.004 0.000 0.686 328 G HA3 -0.191 3.771 3.960 0.004 0.000 0.686 328 G C 0.460 175.372 174.900 0.021 0.000 1.274 328 G CA -0.288 44.810 45.100 -0.004 0.000 0.874 328 G HN -0.011 nan 8.290 nan 0.000 0.631 329 T N 0.519 115.062 114.554 -0.019 0.000 2.643 329 T HA -0.072 4.280 4.350 0.004 0.000 0.264 329 T C 2.075 176.798 174.700 0.040 0.000 1.045 329 T CA 1.982 64.086 62.100 0.006 0.000 1.155 329 T CB -0.203 68.637 68.868 -0.047 0.000 0.863 329 T HN 0.556 nan 8.240 nan 0.000 0.420 330 E N 1.074 121.282 120.200 0.013 0.000 2.072 330 E HA -0.104 4.249 4.350 0.004 0.000 0.191 330 E C 2.345 178.954 176.600 0.015 0.000 0.985 330 E CA 1.021 57.429 56.400 0.013 0.000 0.801 330 E CB -0.249 29.452 29.700 0.002 0.000 0.750 330 E HN 0.547 nan 8.360 nan 0.000 0.452 331 E N 1.050 121.259 120.200 0.015 0.000 2.077 331 E HA -0.162 4.191 4.350 0.004 0.000 0.193 331 E C 1.762 178.373 176.600 0.018 0.000 0.989 331 E CA 1.237 57.645 56.400 0.013 0.000 0.800 331 E CB -0.132 29.575 29.700 0.011 0.000 0.746 331 E HN 0.184 nan 8.360 nan 0.000 0.452 332 D N 0.512 120.937 120.400 0.042 0.000 2.104 332 D HA -0.152 4.490 4.640 0.004 0.000 0.194 332 D C 1.797 178.094 176.300 -0.005 0.000 0.994 332 D CA 0.917 54.941 54.000 0.040 0.000 0.830 332 D CB -0.161 40.713 40.800 0.124 0.000 0.959 332 D HN 0.188 nan 8.370 nan 0.000 0.452 333 E N 0.620 120.828 120.200 0.014 0.000 2.058 333 E HA -0.198 4.155 4.350 0.004 0.000 0.194 333 E C 2.179 178.764 176.600 -0.026 0.000 0.997 333 E CA 0.556 56.949 56.400 -0.012 0.000 0.801 333 E CB -0.224 29.482 29.700 0.009 0.000 0.746 333 E HN 0.306 nan 8.360 nan 0.000 0.450 334 R N 0.905 121.398 120.500 -0.012 0.000 2.083 334 R HA -0.149 4.194 4.340 0.004 0.000 0.237 334 R C 1.812 178.102 176.300 -0.017 0.000 1.137 334 R CA 1.610 57.703 56.100 -0.012 0.000 0.951 334 R CB -0.081 30.216 30.300 -0.005 0.000 0.851 334 R HN 0.073 nan 8.270 nan 0.000 0.434 335 N N 0.568 119.256 118.700 -0.019 0.000 2.244 335 N HA -0.128 4.614 4.740 0.004 0.000 0.183 335 N C 1.655 177.145 175.510 -0.033 0.000 1.016 335 N CA 0.818 53.860 53.050 -0.015 0.000 0.866 335 N CB -0.213 38.269 38.487 -0.008 0.000 0.980 335 N HN 0.145 nan 8.380 nan 0.000 0.430 336 L N 1.278 122.433 121.223 -0.114 0.000 2.093 336 L HA -0.015 4.328 4.340 0.004 0.000 0.208 336 L C 2.233 179.072 176.870 -0.051 0.000 1.085 336 L CA 1.282 55.985 54.840 -0.227 0.000 0.755 336 L CB -0.294 41.536 42.059 -0.382 0.000 0.904 336 L HN 0.081 nan 8.230 nan 0.000 0.435 337 R N -1.029 119.451 120.500 -0.032 0.000 2.096 337 R HA -0.138 4.204 4.340 0.004 0.000 0.235 337 R C 2.217 178.521 176.300 0.007 0.000 1.127 337 R CA 1.290 57.389 56.100 -0.001 0.000 0.968 337 R CB -0.567 29.727 30.300 -0.010 0.000 0.861 337 R HN 0.394 nan 8.270 nan 0.000 0.440 338 A N 0.726 123.549 122.820 0.006 0.000 1.930 338 A HA -0.167 4.155 4.320 0.004 0.000 0.217 338 A C 1.930 179.505 177.584 -0.016 0.000 1.175 338 A CA 0.877 52.907 52.037 -0.012 0.000 0.627 338 A CB -0.569 18.427 19.000 -0.008 0.000 0.815 338 A HN 0.360 nan 8.150 nan 0.000 0.443 339 F N 1.423 121.305 119.950 -0.113 0.000 2.095 339 F HA -0.180 4.350 4.527 0.004 0.000 0.298 339 F C 2.426 178.138 175.800 -0.146 0.000 1.104 339 F CA 2.372 60.298 58.000 -0.123 0.000 1.232 339 F CB -0.610 38.321 39.000 -0.115 0.000 0.987 339 F HN 0.199 nan 8.300 nan 0.000 0.475 340 T N 0.097 114.665 114.554 0.023 0.000 2.746 340 T HA -0.192 4.160 4.350 0.004 0.000 0.267 340 T C 1.701 176.340 174.700 -0.101 0.000 1.039 340 T CA 1.782 63.899 62.100 0.028 0.000 1.142 340 T CB -0.334 68.656 68.868 0.204 0.000 0.866 340 T HN 0.402 nan 8.240 nan 0.000 0.444 341 E N 0.964 121.098 120.200 -0.110 0.000 2.110 341 E HA -0.052 4.300 4.350 0.004 0.000 0.193 341 E C 2.539 178.983 176.600 -0.260 0.000 0.988 341 E CA 0.963 57.281 56.400 -0.137 0.000 0.804 341 E CB -0.200 29.441 29.700 -0.098 0.000 0.745 341 E HN 0.478 nan 8.360 nan 0.000 0.458 342 A N 1.261 123.857 122.820 -0.372 0.000 1.873 342 A HA -0.185 4.138 4.320 0.004 0.000 0.215 342 A C 2.161 179.232 177.584 -0.854 0.000 1.186 342 A CA 1.227 52.881 52.037 -0.639 0.000 0.616 342 A CB -0.329 18.326 19.000 -0.574 0.000 0.823 342 A HN 0.112 nan 8.150 nan 0.000 0.442 343 M N -0.174 119.032 119.600 -0.657 0.000 2.106 343 M HA -0.135 4.348 4.480 0.004 0.000 0.259 343 M C 2.184 178.365 176.300 -0.199 0.000 1.068 343 M CA 2.104 57.149 55.300 -0.425 0.000 1.100 343 M CB -1.962 30.302 32.600 -0.559 0.000 1.351 343 M HN 0.460 nan 8.290 nan 0.000 0.404 344 T N 0.125 114.573 114.554 -0.177 0.000 2.746 344 T HA -0.110 4.242 4.350 0.004 0.000 0.267 344 T C 1.941 176.577 174.700 -0.106 0.000 1.039 344 T CA 1.142 63.194 62.100 -0.081 0.000 1.142 344 T CB -0.177 68.657 68.868 -0.057 0.000 0.866 344 T HN 0.391 nan 8.240 nan 0.000 0.444 345 R N 0.171 120.544 120.500 -0.211 0.000 2.105 345 R HA -0.082 4.260 4.340 0.004 0.000 0.239 345 R C 1.773 178.048 176.300 -0.040 0.000 1.135 345 R CA 1.212 57.212 56.100 -0.167 0.000 0.967 345 R CB -0.364 29.788 30.300 -0.246 0.000 0.861 345 R HN 0.428 nan 8.270 nan 0.000 0.442 346 Y N 0.317 120.571 120.300 -0.077 0.000 2.553 346 Y HA 0.076 4.628 4.550 0.004 0.000 0.303 346 Y C 0.888 176.746 175.900 -0.070 0.000 1.194 346 Y CA -0.336 57.711 58.100 -0.088 0.000 1.305 346 Y CB -0.400 38.035 38.460 -0.042 0.000 1.045 346 Y HN -0.018 nan 8.280 nan 0.000 0.514 347 S N -0.174 115.572 115.700 0.077 0.000 3.884 347 S HA -0.098 4.374 4.470 0.004 0.000 0.374 347 S C -0.008 174.613 174.600 0.035 0.000 0.971 347 S CA 0.470 58.696 58.200 0.045 0.000 1.152 347 S CB -1.412 61.801 63.200 0.021 0.000 0.877 347 S HN 0.711 nan 8.310 nan 0.000 0.491 348 A N 1.912 124.773 122.820 0.069 0.000 3.453 348 A HA 0.568 4.890 4.320 0.004 0.000 0.262 348 A C -2.313 175.397 177.584 0.211 0.000 1.026 348 A CA -0.710 51.401 52.037 0.124 0.000 0.938 348 A CB 0.838 19.953 19.000 0.192 0.000 1.246 348 A HN 0.445 nan 8.150 nan 0.000 0.546 349 P HA 0.243 nan 4.420 nan 0.000 0.269 349 P C -2.853 174.501 177.300 0.091 0.000 1.215 349 P CA -0.771 62.383 63.100 0.090 0.000 0.780 349 P CB 0.399 32.085 31.700 -0.024 0.000 0.898 350 P HA 0.113 nan 4.420 nan 0.000 0.281 350 P C 0.659 177.885 177.300 -0.124 0.000 1.249 350 P CA 0.007 63.007 63.100 -0.167 0.000 0.810 350 P CB 0.945 32.554 31.700 -0.151 0.000 1.008 351 G N 1.839 110.554 108.800 -0.141 0.000 2.670 351 G HA2 0.015 3.977 3.960 0.004 0.000 0.219 351 G HA3 0.015 3.977 3.960 0.004 0.000 0.219 351 G C -0.163 174.688 174.900 -0.082 0.000 1.342 351 G CA 0.144 45.193 45.100 -0.085 0.000 0.902 351 G HN 0.472 nan 8.290 nan 0.000 0.553 352 D N 1.925 122.274 120.400 -0.084 0.000 2.264 352 D HA 0.387 5.029 4.640 0.004 0.000 0.250 352 D C -2.353 173.897 176.300 -0.083 0.000 1.113 352 D CA -1.130 52.832 54.000 -0.064 0.000 0.871 352 D CB 1.416 42.192 40.800 -0.040 0.000 1.167 352 D HN -0.000 nan 8.370 nan 0.000 0.447 353 P HA 0.128 nan 4.420 nan 0.000 0.269 353 P C -2.292 174.999 177.300 -0.014 0.000 1.209 353 P CA -0.857 62.225 63.100 -0.029 0.000 0.776 353 P CB -0.218 31.476 31.700 -0.010 0.000 0.876 354 P HA 0.193 nan 4.420 nan 0.000 0.272 354 P C -0.587 176.704 177.300 -0.014 0.000 1.223 354 P CA -0.049 63.084 63.100 0.054 0.000 0.784 354 P CB 0.981 32.738 31.700 0.095 0.000 0.923 355 R N 2.359 122.875 120.500 0.026 0.000 2.561 355 R HA 0.425 4.768 4.340 0.004 0.000 0.297 355 R C -2.526 173.780 176.300 0.011 0.000 0.969 355 R CA -2.296 53.806 56.100 0.005 0.000 0.879 355 R CB 1.832 32.145 30.300 0.023 0.000 1.178 355 R HN 0.333 nan 8.270 nan 0.000 0.445 356 P HA 0.103 nan 4.420 nan 0.000 0.271 356 P C -1.143 176.024 177.300 -0.221 0.000 1.220 356 P CA 0.056 63.080 63.100 -0.127 0.000 0.768 356 P CB 1.116 32.740 31.700 -0.128 0.000 0.848 357 E N 2.243 122.260 120.200 -0.305 0.000 2.256 357 E HA 0.256 4.609 4.350 0.004 0.000 0.267 357 E C -0.610 175.802 176.600 -0.314 0.000 0.892 357 E CA -0.488 55.788 56.400 -0.207 0.000 0.775 357 E CB 1.539 31.213 29.700 -0.043 0.000 1.207 357 E HN 0.444 nan 8.360 nan 0.000 0.420 358 Y N -0.308 120.136 120.300 0.239 0.000 2.682 358 Y HA 0.260 4.813 4.550 0.004 0.000 0.251 358 Y C -0.307 175.841 175.900 0.414 0.000 1.172 358 Y CA -0.373 57.934 58.100 0.345 0.000 1.186 358 Y CB 1.154 39.715 38.460 0.168 0.000 1.216 358 Y HN 0.170 nan 8.280 nan 0.000 0.540 359 D N 0.310 120.865 120.400 0.259 0.000 2.863 359 D HA 0.144 4.786 4.640 0.004 0.000 0.245 359 D C 0.645 176.615 176.300 -0.551 0.000 1.211 359 D CA -0.400 53.582 54.000 -0.031 0.000 0.888 359 D CB 2.601 43.386 40.800 -0.025 0.000 1.483 359 D HN 0.041 nan 8.370 nan 0.000 0.533 360 L N 2.884 123.382 121.223 -1.208 0.000 2.127 360 L HA -0.155 4.188 4.340 0.004 0.000 0.211 360 L C 1.479 177.970 176.870 -0.631 0.000 1.089 360 L CA 2.106 56.106 54.840 -1.400 0.000 0.757 360 L CB -0.185 40.972 42.059 -1.502 0.000 0.899 360 L HN 0.307 nan 8.230 nan 0.000 0.434 361 E N -0.590 119.355 120.200 -0.425 0.000 2.409 361 E HA -0.094 4.258 4.350 0.004 0.000 0.198 361 E C 1.934 178.406 176.600 -0.213 0.000 1.024 361 E CA 0.771 57.017 56.400 -0.256 0.000 0.861 361 E CB -0.238 29.355 29.700 -0.178 0.000 0.788 361 E HN 0.523 nan 8.360 nan 0.000 0.521 362 L N 0.272 121.360 121.223 -0.224 0.000 2.591 362 L HA 0.187 4.529 4.340 0.004 0.000 0.228 362 L C 0.373 177.169 176.870 -0.123 0.000 1.133 362 L CA -0.093 54.656 54.840 -0.152 0.000 0.880 362 L CB 0.049 42.042 42.059 -0.109 0.000 1.033 362 L HN 0.058 nan 8.230 nan 0.000 0.450 363 I N 0.854 121.324 120.570 -0.167 0.000 2.325 363 I HA 0.081 4.253 4.170 0.004 0.000 0.291 363 I C 0.615 176.683 176.117 -0.082 0.000 1.019 363 I CA -0.187 61.043 61.300 -0.117 0.000 1.302 363 I CB 1.435 39.343 38.000 -0.153 0.000 1.401 363 I HN 0.074 nan 8.210 nan 0.000 0.485 364 T N 2.091 116.622 114.554 -0.039 0.000 2.799 364 T HA 0.418 4.770 4.350 0.004 0.000 0.286 364 T C -0.203 174.490 174.700 -0.012 0.000 0.973 364 T CA -0.689 61.401 62.100 -0.015 0.000 1.035 364 T CB 1.543 70.414 68.868 0.005 0.000 0.932 364 T HN 0.503 nan 8.240 nan 0.000 0.469 365 S N 2.406 118.102 115.700 -0.008 0.000 2.707 365 S HA 0.414 4.886 4.470 0.004 0.000 0.303 365 S C 0.309 174.906 174.600 -0.005 0.000 1.132 365 S CA -0.649 57.539 58.200 -0.021 0.000 1.046 365 S CB -0.363 62.813 63.200 -0.039 0.000 1.004 365 S HN 1.201 nan 8.310 nan 0.000 0.483 366 C N 3.874 123.168 119.300 -0.011 0.000 4.167 366 C HA -0.159 4.303 4.460 0.004 0.000 0.302 366 C C 1.296 176.331 174.990 0.076 0.000 1.384 366 C CA 0.707 59.733 59.018 0.014 0.000 2.041 366 C CB -3.329 24.388 27.740 -0.037 0.000 1.303 366 C HN 1.412 nan 8.230 nan 0.000 0.718 367 S N -2.285 113.454 115.700 0.065 0.000 3.261 367 S HA -0.200 4.273 4.470 0.004 0.000 0.287 367 S C 0.323 174.975 174.600 0.088 0.000 1.281 367 S CA 1.365 59.609 58.200 0.073 0.000 1.053 367 S CB -0.930 62.323 63.200 0.088 0.000 1.251 367 S HN 1.046 nan 8.310 nan 0.000 0.659 368 S N 2.184 117.948 115.700 0.106 0.000 2.607 368 S HA 0.737 5.209 4.470 0.004 0.000 0.303 368 S C -0.172 174.472 174.600 0.074 0.000 1.086 368 S CA -0.894 57.393 58.200 0.144 0.000 0.995 368 S CB 1.602 64.964 63.200 0.270 0.000 1.084 368 S HN 0.598 nan 8.310 nan 0.000 0.507 369 N N -0.526 118.215 118.700 0.068 0.000 2.357 369 N HA 0.457 5.199 4.740 0.004 0.000 0.284 369 N C -1.371 174.120 175.510 -0.032 0.000 1.236 369 N CA -0.637 52.413 53.050 -0.001 0.000 0.774 369 N CB 1.051 39.532 38.487 -0.010 0.000 1.534 369 N HN 0.310 nan 8.380 nan 0.000 0.478 370 V N 0.494 120.354 119.914 -0.091 0.000 2.686 370 V HA 0.355 4.477 4.120 0.004 0.000 0.295 370 V C 0.539 176.539 176.094 -0.157 0.000 1.055 370 V CA 0.055 62.280 62.300 -0.124 0.000 1.050 370 V CB 0.883 32.625 31.823 -0.135 0.000 0.984 370 V HN 0.852 nan 8.190 nan 0.000 0.482 371 S N 2.930 118.442 115.700 -0.314 0.000 2.685 371 S HA 0.814 5.286 4.470 0.004 0.000 0.282 371 S C -1.367 173.036 174.600 -0.329 0.000 1.159 371 S CA -0.488 57.514 58.200 -0.330 0.000 0.833 371 S CB 2.069 65.014 63.200 -0.425 0.000 1.151 371 S HN 0.683 nan 8.310 nan 0.000 0.485 372 V N 1.122 120.947 119.914 -0.149 0.000 2.841 372 V HA 0.971 5.093 4.120 0.004 0.000 0.310 372 V C -0.370 175.703 176.094 -0.034 0.000 1.090 372 V CA 0.257 62.445 62.300 -0.188 0.000 0.930 372 V CB 1.350 32.867 31.823 -0.510 0.000 1.014 372 V HN 1.341 nan 8.190 nan 0.000 0.425 373 A N 5.405 128.153 122.820 -0.120 0.000 2.525 373 A HA 0.916 5.238 4.320 0.004 0.000 0.291 373 A C -1.611 175.733 177.584 -0.400 0.000 1.268 373 A CA -0.852 50.984 52.037 -0.335 0.000 0.712 373 A CB 1.515 20.099 19.000 -0.693 0.000 1.320 373 A HN 0.841 nan 8.150 nan 0.000 0.456 374 L N 0.667 121.560 121.223 -0.552 0.000 2.325 374 L HA 0.622 4.964 4.340 0.004 0.000 0.278 374 L C 0.914 177.476 176.870 -0.515 0.000 1.023 374 L CA -0.620 53.892 54.840 -0.546 0.000 0.811 374 L CB 1.526 43.175 42.059 -0.684 0.000 1.249 374 L HN 0.921 nan 8.230 nan 0.000 0.431 375 G N 2.024 110.679 108.800 -0.241 0.000 2.583 375 G HA2 0.539 4.501 3.960 0.004 0.000 0.280 375 G HA3 0.539 4.501 3.960 0.004 0.000 0.280 375 G C -2.716 172.229 174.900 0.075 0.000 1.376 375 G CA -1.282 43.767 45.100 -0.086 0.000 1.043 375 G HN 0.336 nan 8.290 nan 0.000 0.538 376 P HA 0.177 nan 4.420 nan 0.000 0.268 376 P C -0.134 177.208 177.300 0.069 0.000 1.205 376 P CA 0.080 63.234 63.100 0.090 0.000 0.771 376 P CB 0.459 32.189 31.700 0.049 0.000 0.858 377 R N 1.878 122.419 120.500 0.070 0.000 3.875 377 R HA -0.216 4.126 4.340 0.004 0.000 0.321 377 R C 1.073 177.401 176.300 0.047 0.000 1.196 377 R CA 0.592 56.719 56.100 0.046 0.000 0.868 377 R CB -2.883 27.434 30.300 0.027 0.000 1.333 377 R HN 0.925 nan 8.270 nan 0.000 0.522 378 G N 0.707 109.552 108.800 0.075 0.000 2.162 378 G HA2 -0.422 3.540 3.960 0.004 0.000 0.260 378 G HA3 -0.422 3.540 3.960 0.004 0.000 0.260 378 G C 0.223 175.109 174.900 -0.024 0.000 0.976 378 G CA 0.637 45.760 45.100 0.039 0.000 0.655 378 G HN 0.677 nan 8.290 nan 0.000 0.533 379 R N 0.392 120.876 120.500 -0.027 0.000 2.543 379 R HA 0.543 4.885 4.340 0.004 0.000 0.277 379 R C 0.355 176.596 176.300 -0.099 0.000 1.074 379 R CA -0.700 55.374 56.100 -0.043 0.000 1.076 379 R CB 0.829 31.118 30.300 -0.018 0.000 0.993 379 R HN 0.234 nan 8.270 nan 0.000 0.459 380 R N 2.553 122.987 120.500 -0.110 0.000 2.522 380 R HA 0.123 4.466 4.340 0.004 0.000 0.284 380 R C -0.192 175.981 176.300 -0.211 0.000 1.032 380 R CA -0.195 55.776 56.100 -0.215 0.000 1.049 380 R CB 0.320 30.476 30.300 -0.241 0.000 0.956 380 R HN 0.481 nan 8.270 nan 0.000 0.422 381 R N 3.238 123.572 120.500 -0.277 0.000 2.451 381 R HA 0.250 4.592 4.340 0.004 0.000 0.307 381 R C -0.873 175.343 176.300 -0.140 0.000 0.965 381 R CA -0.834 55.178 56.100 -0.145 0.000 0.865 381 R CB 1.019 31.249 30.300 -0.117 0.000 1.174 381 R HN 0.500 nan 8.270 nan 0.000 0.455 382 Y N 3.410 123.755 120.300 0.075 0.000 2.299 382 Y HA 0.323 4.875 4.550 0.004 0.000 0.326 382 Y C 0.456 176.458 175.900 0.170 0.000 1.164 382 Y CA -0.053 58.090 58.100 0.072 0.000 1.234 382 Y CB 0.893 39.343 38.460 -0.017 0.000 1.219 382 Y HN 0.507 nan 8.280 nan 0.000 0.497 383 Y N 0.008 120.390 120.300 0.137 0.000 2.689 383 Y HA 0.629 5.181 4.550 0.004 0.000 0.333 383 Y C -2.331 173.647 175.900 0.129 0.000 1.208 383 Y CA -1.919 56.242 58.100 0.100 0.000 1.055 383 Y CB 0.557 39.041 38.460 0.041 0.000 1.304 383 Y HN 0.445 nan 8.280 nan 0.000 0.455 384 L N 1.962 123.308 121.223 0.206 0.000 2.289 384 L HA 0.772 5.114 4.340 0.004 0.000 0.285 384 L C 0.018 177.131 176.870 0.404 0.000 1.049 384 L CA 0.401 55.352 54.840 0.186 0.000 0.804 384 L CB 1.454 43.638 42.059 0.209 0.000 1.195 384 L HN 1.013 nan 8.230 nan 0.000 0.428 385 T N 4.263 119.000 114.554 0.304 0.000 2.804 385 T HA 0.869 5.221 4.350 0.004 0.000 0.290 385 T C -1.158 173.668 174.700 0.212 0.000 1.099 385 T CA -0.602 61.731 62.100 0.388 0.000 1.011 385 T CB 1.181 70.246 68.868 0.330 0.000 1.291 385 T HN 0.845 nan 8.240 nan 0.000 0.523 386 R N 0.465 121.008 120.500 0.071 0.000 2.741 386 R HA 0.457 4.799 4.340 0.004 0.000 0.274 386 R C -1.535 174.581 176.300 -0.307 0.000 1.029 386 R CA -0.994 55.037 56.100 -0.115 0.000 0.880 386 R CB 0.370 30.540 30.300 -0.217 0.000 1.264 386 R HN 0.520 nan 8.270 nan 0.000 0.465 387 D N 1.775 122.002 120.400 -0.289 0.000 2.450 387 D HA 0.054 4.696 4.640 0.004 0.000 0.247 387 D C -1.391 174.518 176.300 -0.652 0.000 1.162 387 D CA -1.242 52.529 54.000 -0.381 0.000 0.879 387 D CB 1.288 41.961 40.800 -0.213 0.000 1.163 387 D HN 0.357 nan 8.370 nan 0.000 0.472 388 P HA 0.014 nan 4.420 nan 0.000 0.255 388 P C 1.116 178.085 177.300 -0.552 0.000 1.248 388 P CA 0.074 62.469 63.100 -1.176 0.000 0.807 388 P CB 0.381 31.291 31.700 -1.317 0.000 1.150 389 T N 0.101 114.448 114.554 -0.345 0.000 2.607 389 T HA -0.134 4.218 4.350 0.004 0.000 0.267 389 T C 1.786 176.419 174.700 -0.112 0.000 1.049 389 T CA 2.445 64.443 62.100 -0.170 0.000 1.162 389 T CB -1.123 67.690 68.868 -0.093 0.000 0.863 389 T HN 0.196 nan 8.240 nan 0.000 0.424 390 T N 2.230 116.725 114.554 -0.099 0.000 2.708 390 T HA -0.055 4.297 4.350 0.004 0.000 0.266 390 T C -0.559 174.101 174.700 -0.067 0.000 1.037 390 T CA 1.199 63.266 62.100 -0.056 0.000 1.146 390 T CB -1.253 67.617 68.868 0.003 0.000 0.865 390 T HN 0.333 nan 8.240 nan 0.000 0.435 391 P HA -0.030 nan 4.420 nan 0.000 0.216 391 P C 1.490 178.838 177.300 0.080 0.000 1.153 391 P CA 0.969 64.083 63.100 0.023 0.000 0.858 391 P CB -0.180 31.510 31.700 -0.016 0.000 0.789 392 L N -1.388 119.834 121.223 -0.002 0.000 2.072 392 L HA -0.115 4.227 4.340 0.004 0.000 0.205 392 L C 2.520 179.430 176.870 0.065 0.000 1.079 392 L CA 1.425 56.285 54.840 0.034 0.000 0.752 392 L CB -1.197 40.838 42.059 -0.039 0.000 0.906 392 L HN -0.074 nan 8.230 nan 0.000 0.436 393 A N 0.375 123.219 122.820 0.040 0.000 1.883 393 A HA -0.237 4.085 4.320 0.004 0.000 0.217 393 A C 2.384 180.041 177.584 0.122 0.000 1.186 393 A CA 1.769 53.848 52.037 0.070 0.000 0.624 393 A CB -0.522 18.489 19.000 0.018 0.000 0.822 393 A HN 0.340 nan 8.150 nan 0.000 0.444 394 R N -0.648 119.898 120.500 0.078 0.000 2.092 394 R HA -0.023 4.319 4.340 0.004 0.000 0.231 394 R C 2.487 178.971 176.300 0.308 0.000 1.119 394 R CA 1.070 57.249 56.100 0.131 0.000 0.970 394 R CB -0.504 29.818 30.300 0.037 0.000 0.864 394 R HN 0.512 nan 8.270 nan 0.000 0.440 395 A N 1.549 124.568 122.820 0.332 0.000 1.908 395 A HA -0.168 4.154 4.320 0.004 0.000 0.218 395 A C 2.390 180.217 177.584 0.405 0.000 1.181 395 A CA 1.847 54.194 52.037 0.517 0.000 0.627 395 A CB -0.616 18.701 19.000 0.528 0.000 0.818 395 A HN 0.406 nan 8.150 nan 0.000 0.445 396 A N -1.429 121.533 122.820 0.236 0.000 1.873 396 A HA -0.150 4.172 4.320 0.004 0.000 0.215 396 A C 2.107 179.829 177.584 0.229 0.000 1.186 396 A CA 1.300 53.432 52.037 0.158 0.000 0.616 396 A CB -0.915 18.153 19.000 0.114 0.000 0.823 396 A HN 0.814 nan 8.150 nan 0.000 0.442 397 W N 1.099 122.466 121.300 0.111 0.000 2.317 397 W HA -0.198 4.464 4.660 0.004 0.000 0.318 397 W C 1.690 178.301 176.519 0.153 0.000 1.227 397 W CA 2.180 59.587 57.345 0.103 0.000 1.269 397 W CB -0.364 29.136 29.460 0.068 0.000 1.155 397 W HN 0.550 nan 8.180 nan 0.000 0.484 398 E N -0.933 119.578 120.200 0.519 0.000 2.418 398 E HA -0.120 4.232 4.350 0.004 0.000 0.197 398 E C 1.932 178.820 176.600 0.480 0.000 1.026 398 E CA 1.346 58.056 56.400 0.516 0.000 0.862 398 E CB -0.147 29.910 29.700 0.596 0.000 0.799 398 E HN 0.110 nan 8.360 nan 0.000 0.518 399 T N 0.224 114.998 114.554 0.367 0.000 2.857 399 T HA -0.102 4.251 4.350 0.004 0.000 0.266 399 T C 2.058 176.811 174.700 0.089 0.000 1.048 399 T CA 1.422 63.679 62.100 0.263 0.000 1.139 399 T CB 0.104 69.088 68.868 0.193 0.000 0.874 399 T HN 0.199 nan 8.240 nan 0.000 0.455 400 V N -2.064 117.837 119.914 -0.022 0.000 3.263 400 V HA 0.401 4.524 4.120 0.004 0.000 0.248 400 V C 0.684 176.629 176.094 -0.249 0.000 1.145 400 V CA 0.037 62.235 62.300 -0.170 0.000 1.107 400 V CB -0.075 31.629 31.823 -0.198 0.000 0.797 400 V HN 0.074 nan 8.190 nan 0.000 0.467 401 R N 1.423 121.811 120.500 -0.186 0.000 2.312 401 R HA 0.402 4.744 4.340 0.004 0.000 0.310 401 R C -1.043 175.342 176.300 0.141 0.000 1.064 401 R CA -0.524 55.515 56.100 -0.101 0.000 0.983 401 R CB 0.451 30.661 30.300 -0.151 0.000 1.139 401 R HN 0.473 nan 8.270 nan 0.000 0.536 402 H N 1.257 120.391 119.070 0.106 0.000 2.964 402 H HA 0.059 4.618 4.556 0.004 0.000 0.328 402 H C 0.617 176.018 175.328 0.122 0.000 1.030 402 H CA 0.132 56.263 56.048 0.140 0.000 1.445 402 H CB 0.688 30.515 29.762 0.107 0.000 1.449 402 H HN 0.488 nan 8.280 nan 0.000 0.581 403 S N 2.995 118.851 115.700 0.260 0.000 2.578 403 S HA 0.342 4.814 4.470 0.004 0.000 0.301 403 S C -1.861 172.745 174.600 0.010 0.000 1.091 403 S CA -1.555 56.718 58.200 0.122 0.000 1.032 403 S CB 2.246 65.524 63.200 0.130 0.000 1.064 403 S HN 0.235 nan 8.310 nan 0.000 0.508 404 P HA 0.099 nan 4.420 nan 0.000 0.219 404 P C -0.237 176.996 177.300 -0.112 0.000 1.146 404 P CA 0.898 63.832 63.100 -0.277 0.000 0.808 404 P CB 0.059 31.426 31.700 -0.555 0.000 0.779 405 I N 0.486 121.022 120.570 -0.055 0.000 2.355 405 I HA 0.141 4.314 4.170 0.004 0.000 0.288 405 I C 0.036 176.142 176.117 -0.018 0.000 0.999 405 I CA -0.621 60.665 61.300 -0.023 0.000 1.163 405 I CB 0.948 38.938 38.000 -0.016 0.000 1.316 405 I HN -0.097 nan 8.210 nan 0.000 0.454 406 N N 4.829 123.474 118.700 -0.092 0.000 2.918 406 N HA 0.031 4.774 4.740 0.004 0.000 0.247 406 N C 1.342 176.623 175.510 -0.380 0.000 1.117 406 N CA -0.027 52.828 53.050 -0.325 0.000 1.005 406 N CB 1.169 39.203 38.487 -0.755 0.000 1.297 406 N HN 0.613 nan 8.380 nan 0.000 0.513 407 S N 1.669 117.309 115.700 -0.100 0.000 2.402 407 S HA -0.145 4.327 4.470 0.004 0.000 0.233 407 S C 1.872 176.451 174.600 -0.035 0.000 1.030 407 S CA 0.443 58.639 58.200 -0.007 0.000 1.003 407 S CB -0.444 62.798 63.200 0.070 0.000 0.813 407 S HN 0.776 nan 8.310 nan 0.000 0.477 408 W N 1.055 122.301 121.300 -0.090 0.000 2.363 408 W HA -0.025 4.637 4.660 0.004 0.000 0.296 408 W C 1.736 178.100 176.519 -0.258 0.000 1.212 408 W CA 0.484 57.709 57.345 -0.200 0.000 1.260 408 W CB -1.082 27.993 29.460 -0.642 0.000 1.131 408 W HN 0.363 nan 8.180 nan 0.000 0.530 409 L N 2.899 123.458 121.223 -1.107 0.000 2.093 409 L HA 0.153 4.495 4.340 0.004 0.000 0.208 409 L C 2.619 179.000 176.870 -0.815 0.000 1.085 409 L CA 2.589 56.756 54.840 -1.121 0.000 0.755 409 L CB -1.390 39.740 42.059 -1.549 0.000 0.904 409 L HN 0.050 nan 8.230 nan 0.000 0.435 410 G N -0.836 107.595 108.800 -0.616 0.000 2.418 410 G HA2 -0.315 3.647 3.960 0.004 0.000 0.217 410 G HA3 -0.315 3.647 3.960 0.004 0.000 0.217 410 G C 1.429 176.302 174.900 -0.044 0.000 1.158 410 G CA 0.981 45.913 45.100 -0.279 0.000 0.771 410 G HN 0.543 nan 8.290 nan 0.000 0.545 411 N N 0.087 118.842 118.700 0.091 0.000 2.120 411 N HA -0.015 4.727 4.740 0.004 0.000 0.188 411 N C 2.162 177.788 175.510 0.193 0.000 1.024 411 N CA 0.782 54.024 53.050 0.321 0.000 0.852 411 N CB -0.134 38.622 38.487 0.449 0.000 1.003 411 N HN 0.285 nan 8.380 nan 0.000 0.424 412 I N 0.773 121.389 120.570 0.077 0.000 2.226 412 I HA -0.262 3.910 4.170 0.004 0.000 0.245 412 I C 1.877 177.990 176.117 -0.005 0.000 1.100 412 I CA 1.126 62.449 61.300 0.038 0.000 1.374 412 I CB -0.210 37.859 38.000 0.115 0.000 1.057 412 I HN 0.179 nan 8.210 nan 0.000 0.413 413 I N 0.115 120.652 120.570 -0.054 0.000 2.233 413 I HA -0.284 3.888 4.170 0.004 0.000 0.243 413 I C 2.583 178.778 176.117 0.130 0.000 1.093 413 I CA 1.395 62.710 61.300 0.024 0.000 1.380 413 I CB -0.339 37.618 38.000 -0.073 0.000 1.067 413 I HN 0.259 nan 8.210 nan 0.000 0.413 414 Q N -0.288 119.525 119.800 0.022 0.000 2.119 414 Q HA -0.159 4.184 4.340 0.004 0.000 0.201 414 Q C 0.728 176.547 176.000 -0.301 0.000 0.972 414 Q CA 1.436 57.170 55.803 -0.115 0.000 0.847 414 Q CB 0.079 28.628 28.738 -0.315 0.000 0.903 414 Q HN 0.532 nan 8.270 nan 0.000 0.433 415 Y N -1.240 119.061 120.300 0.000 0.000 2.720 415 Y HA 0.381 4.933 4.550 0.004 0.000 0.277 415 Y C 1.290 176.928 175.900 -0.437 0.000 1.144 415 Y CA -0.246 57.737 58.100 -0.196 0.000 1.221 415 Y CB -0.082 38.210 38.460 -0.280 0.000 1.163 415 Y HN 0.062 nan 8.280 nan 0.000 0.537 416 A N 0.958 123.568 122.820 -0.350 0.000 1.948 416 A HA -0.158 4.164 4.320 0.004 0.000 0.220 416 A C -0.456 176.855 177.584 -0.456 0.000 1.177 416 A CA 1.620 53.432 52.037 -0.375 0.000 0.636 416 A CB -1.307 17.522 19.000 -0.285 0.000 0.815 416 A HN 0.268 nan 8.150 nan 0.000 0.449 417 P HA 0.040 nan 4.420 nan 0.000 0.241 417 P C 0.596 177.598 177.300 -0.497 0.000 1.191 417 P CA 1.079 63.862 63.100 -0.528 0.000 0.771 417 P CB -0.350 30.993 31.700 -0.595 0.000 0.929 418 T N -3.052 111.233 114.554 -0.448 0.000 2.899 418 T HA 0.184 4.536 4.350 0.004 0.000 0.295 418 T C 1.238 175.557 174.700 -0.635 0.000 1.033 418 T CA -0.609 61.232 62.100 -0.431 0.000 1.084 418 T CB 0.622 69.085 68.868 -0.675 0.000 0.979 418 T HN -0.119 nan 8.240 nan 0.000 0.532 419 I N 1.521 121.613 120.570 -0.796 0.000 2.394 419 I HA -0.049 4.123 4.170 0.004 0.000 0.251 419 I C 2.061 177.850 176.117 -0.548 0.000 1.136 419 I CA 1.103 61.838 61.300 -0.941 0.000 1.425 419 I CB -0.129 37.130 38.000 -1.235 0.000 1.079 419 I HN 0.873 nan 8.210 nan 0.000 0.425 420 W N -0.149 120.929 121.300 -0.370 0.000 2.418 420 W HA -0.021 4.641 4.660 0.004 0.000 0.292 420 W C 1.893 178.266 176.519 -0.243 0.000 1.213 420 W CA 0.510 57.675 57.345 -0.301 0.000 1.283 420 W CB -1.588 27.731 29.460 -0.234 0.000 1.119 420 W HN -0.066 nan 8.180 nan 0.000 0.542 421 V N 2.507 121.975 119.914 -0.743 0.000 2.307 421 V HA -0.269 3.853 4.120 0.004 0.000 0.245 421 V C 2.876 178.799 176.094 -0.285 0.000 1.045 421 V CA 2.334 64.344 62.300 -0.483 0.000 1.024 421 V CB -0.754 30.697 31.823 -0.619 0.000 0.651 421 V HN 0.067 nan 8.190 nan 0.000 0.449 422 R N -0.625 119.627 120.500 -0.415 0.000 2.075 422 R HA -0.060 4.282 4.340 0.004 0.000 0.232 422 R C 2.248 178.315 176.300 -0.387 0.000 1.126 422 R CA 1.591 57.446 56.100 -0.408 0.000 0.963 422 R CB -0.292 29.634 30.300 -0.624 0.000 0.858 422 R HN 0.434 nan 8.270 nan 0.000 0.435 423 M N -0.478 118.790 119.600 -0.553 0.000 2.394 423 M HA -0.025 4.457 4.480 0.004 0.000 0.266 423 M C 1.785 178.015 176.300 -0.117 0.000 1.098 423 M CA 0.949 56.013 55.300 -0.394 0.000 1.149 423 M CB 0.497 32.794 32.600 -0.506 0.000 1.369 423 M HN -0.015 nan 8.290 nan 0.000 0.450 424 V N -0.275 119.425 119.914 -0.357 0.000 2.735 424 V HA -0.001 4.122 4.120 0.004 0.000 0.234 424 V C 2.074 177.946 176.094 -0.370 0.000 1.121 424 V CA 0.499 62.316 62.300 -0.805 0.000 1.160 424 V CB -0.474 30.809 31.823 -0.900 0.000 0.908 424 V HN 0.318 nan 8.190 nan 0.000 0.495 425 L N -0.527 120.660 121.223 -0.061 0.000 2.046 425 L HA -0.195 4.148 4.340 0.004 0.000 0.208 425 L C 2.592 179.699 176.870 0.395 0.000 1.077 425 L CA 1.856 56.840 54.840 0.241 0.000 0.747 425 L CB -0.457 41.811 42.059 0.348 0.000 0.896 425 L HN 0.337 nan 8.230 nan 0.000 0.432 426 M N -0.895 118.908 119.600 0.338 0.000 2.086 426 M HA -0.181 4.302 4.480 0.004 0.000 0.261 426 M C 2.326 179.088 176.300 0.770 0.000 1.067 426 M CA 2.001 57.621 55.300 0.533 0.000 1.116 426 M CB -0.632 32.126 32.600 0.264 0.000 1.348 426 M HN 0.244 nan 8.290 nan 0.000 0.407 427 T N -1.206 113.771 114.554 0.706 0.000 2.684 427 T HA -0.241 4.111 4.350 0.004 0.000 0.267 427 T C 1.652 176.628 174.700 0.461 0.000 1.036 427 T CA 2.016 64.518 62.100 0.671 0.000 1.148 427 T CB -0.567 68.728 68.868 0.710 0.000 0.863 427 T HN 0.474 nan 8.240 nan 0.000 0.436 428 H N 0.338 119.552 119.070 0.239 0.000 2.299 428 H HA 0.012 4.570 4.556 0.004 0.000 0.302 428 H C 1.795 177.001 175.328 -0.203 0.000 1.078 428 H CA 1.521 57.577 56.048 0.013 0.000 1.323 428 H CB -0.517 29.101 29.762 -0.239 0.000 1.381 428 H HN 0.347 nan 8.280 nan 0.000 0.498 429 F N -1.017 118.872 119.950 -0.102 0.000 2.259 429 F HA -0.013 4.517 4.527 0.004 0.000 0.298 429 F C 1.959 177.585 175.800 -0.290 0.000 1.088 429 F CA 0.627 58.357 58.000 -0.449 0.000 1.358 429 F CB -0.519 37.966 39.000 -0.858 0.000 1.040 429 F HN 0.148 nan 8.300 nan 0.000 0.505 430 F N -0.609 119.436 119.950 0.159 0.000 2.234 430 F HA -0.183 4.346 4.527 0.004 0.000 0.299 430 F C 2.731 178.546 175.800 0.025 0.000 1.087 430 F CA 1.469 59.560 58.000 0.151 0.000 1.340 430 F CB -0.872 38.302 39.000 0.291 0.000 1.031 430 F HN -0.087 nan 8.300 nan 0.000 0.500 431 S N 0.429 116.200 115.700 0.118 0.000 2.348 431 S HA -0.166 4.307 4.470 0.004 0.000 0.221 431 S C 2.205 176.754 174.600 -0.085 0.000 1.033 431 S CA 1.349 59.547 58.200 -0.005 0.000 1.010 431 S CB -0.385 62.798 63.200 -0.028 0.000 0.891 431 S HN 0.171 nan 8.310 nan 0.000 0.442 432 I N 1.970 122.403 120.570 -0.228 0.000 2.163 432 I HA -0.164 4.009 4.170 0.004 0.000 0.243 432 I C 2.365 178.425 176.117 -0.096 0.000 1.085 432 I CA 1.303 62.465 61.300 -0.231 0.000 1.347 432 I CB -1.544 36.205 38.000 -0.419 0.000 1.044 432 I HN 0.378 nan 8.210 nan 0.000 0.408 433 L N -0.572 120.602 121.223 -0.081 0.000 2.079 433 L HA -0.231 4.112 4.340 0.004 0.000 0.210 433 L C 2.665 179.543 176.870 0.012 0.000 1.081 433 L CA 1.328 56.151 54.840 -0.030 0.000 0.752 433 L CB -0.422 41.592 42.059 -0.076 0.000 0.896 433 L HN 0.236 nan 8.230 nan 0.000 0.433 434 M N -1.304 118.311 119.600 0.025 0.000 2.200 434 M HA -0.137 4.345 4.480 0.004 0.000 0.265 434 M C 2.283 178.591 176.300 0.013 0.000 1.066 434 M CA 1.066 56.387 55.300 0.035 0.000 1.127 434 M CB -0.142 32.485 32.600 0.046 0.000 1.379 434 M HN 0.058 nan 8.290 nan 0.000 0.420 435 V N 0.503 120.413 119.914 -0.006 0.000 2.343 435 V HA -0.283 3.839 4.120 0.004 0.000 0.247 435 V C 2.084 178.182 176.094 0.007 0.000 1.051 435 V CA 1.808 64.102 62.300 -0.009 0.000 1.036 435 V CB -0.735 31.070 31.823 -0.030 0.000 0.654 435 V HN 0.536 nan 8.190 nan 0.000 0.451 436 Q N -0.880 118.930 119.800 0.017 0.000 2.369 436 Q HA -0.100 4.243 4.340 0.004 0.000 0.206 436 Q C 0.842 176.864 176.000 0.037 0.000 0.963 436 Q CA 0.711 56.538 55.803 0.039 0.000 0.894 436 Q CB -0.006 28.769 28.738 0.062 0.000 0.965 436 Q HN 0.639 nan 8.270 nan 0.000 0.475 437 D N 0.397 120.816 120.400 0.031 0.000 2.699 437 D HA -0.132 4.510 4.640 0.004 0.000 0.239 437 D C -0.378 175.947 176.300 0.040 0.000 1.136 437 D CA 1.337 55.358 54.000 0.035 0.000 0.668 437 D CB -1.163 39.655 40.800 0.030 0.000 1.060 437 D HN 0.439 nan 8.370 nan 0.000 0.429 438 T N -3.006 111.573 114.554 0.041 0.000 3.339 438 T HA 0.323 4.676 4.350 0.004 0.000 0.292 438 T C 2.037 176.765 174.700 0.046 0.000 1.012 438 T CA -0.260 61.866 62.100 0.044 0.000 0.937 438 T CB -0.293 68.600 68.868 0.042 0.000 1.164 438 T HN 0.212 nan 8.240 nan 0.000 0.509 439 L N 0.791 122.046 121.223 0.054 0.000 2.043 439 L HA -0.042 4.300 4.340 0.004 0.000 0.212 439 L C 1.640 178.554 176.870 0.073 0.000 1.075 439 L CA 1.554 56.434 54.840 0.066 0.000 0.752 439 L CB -0.155 41.971 42.059 0.112 0.000 0.891 439 L HN 0.353 nan 8.230 nan 0.000 0.432 440 D N 0.352 120.794 120.400 0.070 0.000 3.168 440 D HA 0.108 4.750 4.640 0.004 0.000 0.255 440 D C -0.438 175.898 176.300 0.061 0.000 1.314 440 D CA 0.078 54.119 54.000 0.069 0.000 0.900 440 D CB 0.061 40.899 40.800 0.062 0.000 1.072 440 D HN 0.221 nan 8.370 nan 0.000 0.487 441 Q N 0.579 120.416 119.800 0.062 0.000 2.323 441 Q HA 0.321 4.663 4.340 0.004 0.000 0.271 441 Q C -0.793 175.247 176.000 0.066 0.000 1.048 441 Q CA -1.000 54.839 55.803 0.059 0.000 0.792 441 Q CB 1.622 30.391 28.738 0.052 0.000 1.280 441 Q HN 0.059 nan 8.270 nan 0.000 0.441 442 N N 1.814 120.558 118.700 0.074 0.000 2.458 442 N HA 0.220 4.962 4.740 0.004 0.000 0.258 442 N C -1.120 174.441 175.510 0.084 0.000 1.219 442 N CA 0.590 53.694 53.050 0.090 0.000 0.902 442 N CB 0.480 39.031 38.487 0.106 0.000 1.076 442 N HN 0.353 nan 8.380 nan 0.000 0.455 443 L N 1.895 123.170 121.223 0.086 0.000 2.381 443 L HA 0.481 4.823 4.340 0.004 0.000 0.268 443 L C -0.320 176.627 176.870 0.128 0.000 0.997 443 L CA -1.115 53.760 54.840 0.059 0.000 0.818 443 L CB 1.716 43.752 42.059 -0.039 0.000 1.310 443 L HN 0.436 nan 8.230 nan 0.000 0.416 444 N N 2.094 120.855 118.700 0.102 0.000 2.509 444 N HA 0.684 5.426 4.740 0.004 0.000 0.287 444 N C -0.895 174.686 175.510 0.117 0.000 1.121 444 N CA -0.113 53.006 53.050 0.115 0.000 0.977 444 N CB 1.721 40.264 38.487 0.092 0.000 1.167 444 N HN 0.430 nan 8.380 nan 0.000 0.476 445 F N -1.978 117.930 119.950 -0.070 0.000 2.741 445 F HA 0.508 5.038 4.527 0.004 0.000 0.313 445 F C -0.750 175.029 175.800 -0.035 0.000 1.153 445 F CA -1.121 56.805 58.000 -0.123 0.000 0.931 445 F CB 1.362 40.218 39.000 -0.241 0.000 1.335 445 F HN 0.200 nan 8.300 nan 0.000 0.460 446 E N 2.629 122.874 120.200 0.076 0.000 2.207 446 E HA 0.623 4.975 4.350 0.004 0.000 0.270 446 E C -1.825 174.887 176.600 0.187 0.000 0.927 446 E CA -0.842 55.572 56.400 0.024 0.000 0.799 446 E CB 2.141 31.864 29.700 0.040 0.000 1.172 446 E HN 0.935 nan 8.360 nan 0.000 0.404 447 M N 4.195 123.904 119.600 0.180 0.000 2.307 447 M HA 0.148 4.631 4.480 0.004 0.000 0.279 447 M C -1.662 174.887 176.300 0.415 0.000 1.080 447 M CA -0.408 55.062 55.300 0.282 0.000 0.964 447 M CB 0.941 33.590 32.600 0.082 0.000 1.825 447 M HN 0.618 nan 8.290 nan 0.000 0.489 448 Y N 2.242 122.662 120.300 0.200 0.000 3.168 448 Y HA -0.148 4.404 4.550 0.004 0.000 0.207 448 Y C 1.109 177.008 175.900 -0.001 0.000 1.280 448 Y CA 1.919 60.147 58.100 0.212 0.000 1.235 448 Y CB -2.290 36.351 38.460 0.302 0.000 1.370 448 Y HN 1.152 nan 8.280 nan 0.000 0.537 449 G N -0.226 108.653 108.800 0.131 0.000 2.258 449 G HA2 -0.140 3.822 3.960 0.004 0.000 0.274 449 G HA3 -0.140 3.822 3.960 0.004 0.000 0.274 449 G C 0.246 175.122 174.900 -0.039 0.000 1.021 449 G CA 0.901 46.003 45.100 0.003 0.000 0.798 449 G HN 1.238 nan 8.290 nan 0.000 0.507 450 S N -1.854 113.829 115.700 -0.028 0.000 2.569 450 S HA 0.730 5.202 4.470 0.004 0.000 0.280 450 S C -0.217 174.161 174.600 -0.371 0.000 1.111 450 S CA -0.150 57.922 58.200 -0.214 0.000 0.887 450 S CB 2.230 65.271 63.200 -0.265 0.000 1.095 450 S HN 0.889 nan 8.310 nan 0.000 0.476 451 V N 4.100 123.713 119.914 -0.502 0.000 2.481 451 V HA 0.566 4.688 4.120 0.004 0.000 0.286 451 V C -1.168 174.382 176.094 -0.907 0.000 1.042 451 V CA -0.279 61.746 62.300 -0.458 0.000 0.928 451 V CB 0.663 32.435 31.823 -0.085 0.000 0.986 451 V HN 0.868 nan 8.190 nan 0.000 0.462 452 Y N 1.299 121.094 120.300 -0.842 0.000 2.602 452 Y HA 0.649 5.202 4.550 0.004 0.000 0.342 452 Y C 0.295 175.839 175.900 -0.593 0.000 1.029 452 Y CA -0.847 56.688 58.100 -0.942 0.000 1.080 452 Y CB 2.207 39.864 38.460 -1.339 0.000 1.284 452 Y HN 0.515 nan 8.280 nan 0.000 0.485 453 S N 1.050 116.684 115.700 -0.110 0.000 2.519 453 S HA 0.827 5.300 4.470 0.004 0.000 0.309 453 S C -1.795 172.953 174.600 0.247 0.000 1.100 453 S CA -0.406 57.883 58.200 0.148 0.000 1.059 453 S CB 0.612 63.958 63.200 0.243 0.000 1.008 453 S HN 0.456 nan 8.310 nan 0.000 0.478 454 V N 4.956 125.054 119.914 0.306 0.000 2.841 454 V HA 0.497 4.619 4.120 0.004 0.000 0.310 454 V C -0.582 175.604 176.094 0.154 0.000 1.090 454 V CA -1.077 61.387 62.300 0.273 0.000 0.930 454 V CB 2.251 34.282 31.823 0.347 0.000 1.014 454 V HN 0.907 nan 8.190 nan 0.000 0.425 455 N N 5.012 123.788 118.700 0.128 0.000 2.419 455 N HA 0.336 5.079 4.740 0.004 0.000 0.264 455 N C -1.917 173.652 175.510 0.098 0.000 1.031 455 N CA -1.892 51.217 53.050 0.098 0.000 0.951 455 N CB 2.203 40.745 38.487 0.091 0.000 1.101 455 N HN 0.232 nan 8.380 nan 0.000 0.488 456 P HA -0.079 nan 4.420 nan 0.000 0.219 456 P C 1.343 178.781 177.300 0.229 0.000 1.146 456 P CA 0.998 64.157 63.100 0.099 0.000 0.808 456 P CB 0.305 31.985 31.700 -0.033 0.000 0.779 457 L N -0.847 120.492 121.223 0.193 0.000 2.353 457 L HA -0.125 4.218 4.340 0.004 0.000 0.220 457 L C 1.166 178.120 176.870 0.139 0.000 1.133 457 L CA 1.137 56.100 54.840 0.205 0.000 0.798 457 L CB -0.651 41.494 42.059 0.143 0.000 0.922 457 L HN -0.013 nan 8.230 nan 0.000 0.445 458 D N -0.491 119.981 120.400 0.120 0.000 2.339 458 D HA 0.039 4.681 4.640 0.004 0.000 0.217 458 D C 2.205 178.559 176.300 0.091 0.000 1.050 458 D CA 0.218 54.263 54.000 0.076 0.000 0.856 458 D CB 0.369 41.207 40.800 0.063 0.000 0.922 458 D HN 0.282 nan 8.370 nan 0.000 0.518 459 L N 1.020 122.336 121.223 0.155 0.000 2.042 459 L HA -0.153 4.190 4.340 0.004 0.000 0.210 459 L C -0.461 176.505 176.870 0.161 0.000 1.076 459 L CA 1.553 56.500 54.840 0.178 0.000 0.749 459 L CB -1.402 40.826 42.059 0.281 0.000 0.893 459 L HN 0.043 nan 8.230 nan 0.000 0.432 460 P HA -0.194 nan 4.420 nan 0.000 0.215 460 P C 1.450 178.812 177.300 0.102 0.000 1.157 460 P CA 1.894 65.007 63.100 0.023 0.000 0.868 460 P CB -0.021 31.492 31.700 -0.311 0.000 0.788 461 A N -0.805 122.011 122.820 -0.007 0.000 1.902 461 A HA -0.170 4.153 4.320 0.004 0.000 0.217 461 A C 2.239 179.829 177.584 0.010 0.000 1.181 461 A CA 1.447 53.476 52.037 -0.014 0.000 0.623 461 A CB -1.640 17.327 19.000 -0.055 0.000 0.818 461 A HN 0.099 nan 8.150 nan 0.000 0.443 462 I N -0.363 120.218 120.570 0.018 0.000 2.179 462 I HA -0.268 3.905 4.170 0.004 0.000 0.242 462 I C 2.304 178.447 176.117 0.043 0.000 1.088 462 I CA 1.389 62.678 61.300 -0.018 0.000 1.357 462 I CB -0.306 37.718 38.000 0.040 0.000 1.051 462 I HN 0.309 nan 8.210 nan 0.000 0.409 463 I N 0.405 121.066 120.570 0.150 0.000 2.252 463 I HA -0.292 3.881 4.170 0.004 0.000 0.245 463 I C 2.631 178.783 176.117 0.059 0.000 1.102 463 I CA 1.411 62.818 61.300 0.179 0.000 1.385 463 I CB -0.418 37.727 38.000 0.240 0.000 1.064 463 I HN 0.289 nan 8.210 nan 0.000 0.414 464 E N 1.216 121.491 120.200 0.125 0.000 2.058 464 E HA -0.328 4.024 4.350 0.004 0.000 0.194 464 E C 2.299 178.894 176.600 -0.007 0.000 0.997 464 E CA 1.568 58.004 56.400 0.061 0.000 0.801 464 E CB 0.011 29.826 29.700 0.191 0.000 0.746 464 E HN 0.200 nan 8.360 nan 0.000 0.450 465 R N 0.469 120.953 120.500 -0.027 0.000 2.075 465 R HA -0.062 4.281 4.340 0.004 0.000 0.232 465 R C 2.298 178.534 176.300 -0.106 0.000 1.126 465 R CA 1.379 57.433 56.100 -0.075 0.000 0.963 465 R CB -0.402 29.823 30.300 -0.124 0.000 0.858 465 R HN 0.272 nan 8.270 nan 0.000 0.435 466 L N -1.182 119.954 121.223 -0.144 0.000 2.131 466 L HA -0.042 4.300 4.340 0.004 0.000 0.206 466 L C 1.589 178.199 176.870 -0.433 0.000 1.087 466 L CA 0.982 55.650 54.840 -0.288 0.000 0.767 466 L CB -0.265 41.574 42.059 -0.367 0.000 0.917 466 L HN 0.383 nan 8.230 nan 0.000 0.441 467 H N -1.133 117.891 119.070 -0.077 0.000 3.170 467 H HA 0.319 4.877 4.556 0.004 0.000 0.264 467 H C 0.767 176.013 175.328 -0.137 0.000 1.113 467 H CA 0.711 56.694 56.048 -0.109 0.000 1.194 467 H CB 1.097 30.765 29.762 -0.156 0.000 1.553 467 H HN 0.265 nan 8.280 nan 0.000 0.538 468 G N 1.053 109.828 108.800 -0.042 0.000 2.712 468 G HA2 -0.221 3.741 3.960 0.004 0.000 0.686 468 G HA3 -0.221 3.741 3.960 0.004 0.000 0.686 468 G C 0.628 175.448 174.900 -0.133 0.000 1.321 468 G CA -0.177 44.889 45.100 -0.057 0.000 0.813 468 G HN 0.235 nan 8.290 nan 0.000 0.599 469 L N 0.178 121.380 121.223 -0.036 0.000 2.127 469 L HA -0.092 4.250 4.340 0.004 0.000 0.211 469 L C 2.460 179.297 176.870 -0.055 0.000 1.089 469 L CA 1.961 56.825 54.840 0.040 0.000 0.757 469 L CB -0.253 41.899 42.059 0.155 0.000 0.899 469 L HN 0.668 nan 8.230 nan 0.000 0.434 470 D N -0.035 120.321 120.400 -0.074 0.000 2.309 470 D HA -0.136 4.506 4.640 0.004 0.000 0.212 470 D C 2.046 178.243 176.300 -0.172 0.000 0.968 470 D CA 1.042 54.996 54.000 -0.077 0.000 0.882 470 D CB 0.077 40.840 40.800 -0.063 0.000 0.918 470 D HN 0.322 nan 8.370 nan 0.000 0.503 471 A N -0.319 122.294 122.820 -0.346 0.000 2.172 471 A HA -0.095 4.227 4.320 0.004 0.000 0.216 471 A C 1.146 178.495 177.584 -0.392 0.000 1.154 471 A CA 0.595 52.363 52.037 -0.448 0.000 0.701 471 A CB -0.534 18.133 19.000 -0.555 0.000 0.789 471 A HN 0.146 nan 8.150 nan 0.000 0.465 472 F N -0.995 118.965 119.950 0.017 0.000 2.727 472 F HA 0.252 4.781 4.527 0.004 0.000 0.302 472 F C 1.426 177.260 175.800 0.056 0.000 1.097 472 F CA 0.121 58.150 58.000 0.048 0.000 1.330 472 F CB 0.185 39.230 39.000 0.075 0.000 1.084 472 F HN 0.056 nan 8.300 nan 0.000 0.578 473 S N -0.527 115.259 115.700 0.143 0.000 2.900 473 S HA 0.284 4.756 4.470 0.004 0.000 0.253 473 S C 0.423 175.094 174.600 0.119 0.000 1.029 473 S CA -0.313 57.967 58.200 0.134 0.000 1.096 473 S CB 0.136 63.399 63.200 0.105 0.000 1.067 473 S HN 0.054 nan 8.310 nan 0.000 0.610 474 M N 3.390 122.995 119.600 0.008 0.000 2.242 474 M HA 0.291 4.774 4.480 0.004 0.000 0.344 474 M C 0.268 176.519 176.300 -0.082 0.000 1.140 474 M CA 0.417 55.624 55.300 -0.155 0.000 1.160 474 M CB 0.451 32.815 32.600 -0.395 0.000 1.491 474 M HN 0.432 nan 8.290 nan 0.000 0.459 475 H N -0.710 118.173 119.070 -0.312 0.000 2.948 475 H HA 0.314 4.872 4.556 0.004 0.000 0.315 475 H C -0.890 174.291 175.328 -0.245 0.000 1.360 475 H CA -0.812 55.128 56.048 -0.180 0.000 1.125 475 H CB 0.649 30.396 29.762 -0.024 0.000 1.844 475 H HN 0.611 nan 8.280 nan 0.000 0.529 476 T N 0.820 115.377 114.554 0.004 0.000 3.655 476 T HA -0.218 4.135 4.350 0.004 0.000 0.396 476 T C -0.421 174.212 174.700 -0.113 0.000 0.764 476 T CA 0.771 62.855 62.100 -0.027 0.000 2.058 476 T CB -2.589 66.231 68.868 -0.080 0.000 1.737 476 T HN 0.443 nan 8.240 nan 0.000 0.746 477 Y N 1.464 121.758 120.300 -0.009 0.000 2.385 477 Y HA 0.336 4.889 4.550 0.004 0.000 0.346 477 Y C 1.534 177.461 175.900 0.045 0.000 1.270 477 Y CA 0.198 58.310 58.100 0.020 0.000 1.472 477 Y CB 0.492 38.965 38.460 0.022 0.000 1.354 477 Y HN 0.550 nan 8.280 nan 0.000 0.611 478 S N -0.434 115.415 115.700 0.249 0.000 2.593 478 S HA -0.013 4.460 4.470 0.004 0.000 0.269 478 S C 0.964 175.684 174.600 0.199 0.000 1.334 478 S CA -0.218 58.095 58.200 0.189 0.000 1.015 478 S CB 0.522 63.832 63.200 0.183 0.000 0.912 478 S HN 0.878 nan 8.310 nan 0.000 0.541 479 H N 0.665 119.803 119.070 0.114 0.000 2.352 479 H HA -0.187 4.372 4.556 0.004 0.000 0.299 479 H C 2.062 177.462 175.328 0.121 0.000 1.097 479 H CA 2.451 58.560 56.048 0.102 0.000 1.311 479 H CB -0.310 29.504 29.762 0.086 0.000 1.377 479 H HN 0.908 nan 8.280 nan 0.000 0.504 480 H N 0.034 119.224 119.070 0.200 0.000 2.319 480 H HA -0.126 4.432 4.556 0.004 0.000 0.299 480 H C 1.830 177.196 175.328 0.063 0.000 1.092 480 H CA 1.552 57.674 56.048 0.123 0.000 1.302 480 H CB 0.345 30.159 29.762 0.087 0.000 1.373 480 H HN 0.443 nan 8.280 nan 0.000 0.497 481 E N 0.857 121.080 120.200 0.039 0.000 2.051 481 E HA -0.128 4.224 4.350 0.004 0.000 0.192 481 E C 2.739 179.297 176.600 -0.069 0.000 0.991 481 E CA 0.567 56.960 56.400 -0.012 0.000 0.799 481 E CB -0.359 29.445 29.700 0.173 0.000 0.748 481 E HN 0.513 nan 8.360 nan 0.000 0.449 482 L N 0.893 122.088 121.223 -0.047 0.000 2.083 482 L HA -0.193 4.149 4.340 0.004 0.000 0.209 482 L C 2.730 179.518 176.870 -0.137 0.000 1.083 482 L CA 1.833 56.617 54.840 -0.094 0.000 0.752 482 L CB -0.793 41.211 42.059 -0.092 0.000 0.899 482 L HN 0.258 nan 8.230 nan 0.000 0.433 483 T N -2.712 111.736 114.554 -0.176 0.000 2.851 483 T HA -0.199 4.153 4.350 0.004 0.000 0.262 483 T C 1.993 176.614 174.700 -0.132 0.000 1.043 483 T CA 0.773 62.785 62.100 -0.147 0.000 1.140 483 T CB -0.255 68.553 68.868 -0.101 0.000 0.872 483 T HN 0.197 nan 8.240 nan 0.000 0.446 484 R N 0.609 120.983 120.500 -0.209 0.000 2.081 484 R HA -0.021 4.322 4.340 0.004 0.000 0.235 484 R C 2.305 178.494 176.300 -0.185 0.000 1.131 484 R CA 1.351 57.309 56.100 -0.237 0.000 0.960 484 R CB -0.614 29.433 30.300 -0.421 0.000 0.856 484 R HN 0.346 nan 8.270 nan 0.000 0.436 485 V N 0.858 120.674 119.914 -0.164 0.000 2.307 485 V HA -0.173 3.949 4.120 0.004 0.000 0.245 485 V C 2.454 178.494 176.094 -0.090 0.000 1.045 485 V CA 1.859 64.079 62.300 -0.133 0.000 1.024 485 V CB -0.664 31.111 31.823 -0.079 0.000 0.651 485 V HN 0.559 nan 8.190 nan 0.000 0.449 486 A N -0.246 122.531 122.820 -0.071 0.000 1.940 486 A HA -0.214 4.108 4.320 0.004 0.000 0.219 486 A C 2.471 180.038 177.584 -0.029 0.000 1.176 486 A CA 2.329 54.345 52.037 -0.035 0.000 0.631 486 A CB -0.679 18.301 19.000 -0.032 0.000 0.814 486 A HN 0.523 nan 8.150 nan 0.000 0.446 487 S N -0.064 115.608 115.700 -0.046 0.000 2.368 487 S HA -0.009 4.463 4.470 0.004 0.000 0.224 487 S C 2.310 176.892 174.600 -0.030 0.000 1.029 487 S CA 1.105 59.287 58.200 -0.029 0.000 0.988 487 S CB -0.482 62.698 63.200 -0.033 0.000 0.838 487 S HN 0.805 nan 8.310 nan 0.000 0.462 488 A N 1.673 124.454 122.820 -0.064 0.000 1.902 488 A HA -0.031 4.292 4.320 0.004 0.000 0.217 488 A C 2.131 179.692 177.584 -0.038 0.000 1.181 488 A CA 1.218 53.214 52.037 -0.069 0.000 0.623 488 A CB -0.788 18.127 19.000 -0.142 0.000 0.818 488 A HN 0.446 nan 8.150 nan 0.000 0.443 489 L N -1.171 120.033 121.223 -0.030 0.000 2.046 489 L HA -0.194 4.148 4.340 0.004 0.000 0.208 489 L C 2.890 179.758 176.870 -0.002 0.000 1.077 489 L CA 1.503 56.345 54.840 0.004 0.000 0.747 489 L CB -0.524 41.566 42.059 0.053 0.000 0.896 489 L HN 0.348 nan 8.230 nan 0.000 0.432 490 R N 0.215 120.719 120.500 0.007 0.000 2.081 490 R HA -0.213 4.129 4.340 0.004 0.000 0.235 490 R C 2.351 178.687 176.300 0.060 0.000 1.131 490 R CA 1.577 57.689 56.100 0.020 0.000 0.960 490 R CB -0.311 30.010 30.300 0.036 0.000 0.856 490 R HN 0.295 nan 8.270 nan 0.000 0.436 491 K N 1.105 121.544 120.400 0.066 0.000 2.063 491 K HA -0.131 4.191 4.320 0.004 0.000 0.208 491 K C 1.756 178.469 176.600 0.188 0.000 1.048 491 K CA 1.298 57.656 56.287 0.120 0.000 0.928 491 K CB -0.021 32.520 32.500 0.067 0.000 0.713 491 K HN 0.139 nan 8.250 nan 0.000 0.442 492 L N -0.158 121.110 121.223 0.075 0.000 2.591 492 L HA 0.153 4.495 4.340 0.004 0.000 0.228 492 L C 0.934 177.685 176.870 -0.198 0.000 1.133 492 L CA 0.386 55.258 54.840 0.054 0.000 0.880 492 L CB 0.181 42.254 42.059 0.023 0.000 1.033 492 L HN 0.568 nan 8.230 nan 0.000 0.450 493 G N 0.615 109.125 108.800 -0.482 0.000 2.198 493 G HA2 -0.247 3.715 3.960 0.004 0.000 0.257 493 G HA3 -0.247 3.715 3.960 0.004 0.000 0.257 493 G C 0.277 174.909 174.900 -0.447 0.000 1.042 493 G CA 0.164 44.630 45.100 -1.058 0.000 0.791 493 G HN 0.497 nan 8.290 nan 0.000 0.502 494 A N -0.149 122.564 122.820 -0.179 0.000 2.279 494 A HA 0.869 5.191 4.320 0.004 0.000 0.303 494 A C -1.501 176.100 177.584 0.029 0.000 1.108 494 A CA -1.318 50.718 52.037 -0.001 0.000 0.830 494 A CB 0.712 19.794 19.000 0.136 0.000 1.106 494 A HN 0.184 nan 8.150 nan 0.000 0.493 495 P HA 0.200 nan 4.420 nan 0.000 0.269 495 P C -2.423 174.939 177.300 0.103 0.000 1.215 495 P CA -0.688 62.353 63.100 -0.097 0.000 0.780 495 P CB -0.072 31.321 31.700 -0.512 0.000 0.898 496 P HA 0.112 nan 4.420 nan 0.000 0.274 496 P C 0.892 178.340 177.300 0.246 0.000 1.256 496 P CA -0.175 63.002 63.100 0.129 0.000 0.795 496 P CB 0.812 32.545 31.700 0.054 0.000 1.038 497 L N 0.432 121.804 121.223 0.247 0.000 2.079 497 L HA -0.209 4.134 4.340 0.004 0.000 0.210 497 L C 2.858 179.881 176.870 0.254 0.000 1.081 497 L CA 1.809 56.823 54.840 0.289 0.000 0.752 497 L CB -0.776 41.360 42.059 0.128 0.000 0.896 497 L HN 0.483 nan 8.230 nan 0.000 0.433 498 R N -0.310 120.281 120.500 0.153 0.000 2.120 498 R HA -0.099 4.244 4.340 0.004 0.000 0.234 498 R C 1.945 178.303 176.300 0.097 0.000 1.123 498 R CA 1.396 57.570 56.100 0.124 0.000 0.975 498 R CB -0.920 29.425 30.300 0.074 0.000 0.866 498 R HN 0.151 nan 8.270 nan 0.000 0.446 499 V N 0.480 120.411 119.914 0.028 0.000 2.427 499 V HA -0.165 3.957 4.120 0.004 0.000 0.248 499 V C 1.902 177.935 176.094 -0.101 0.000 1.051 499 V CA 1.663 63.904 62.300 -0.099 0.000 1.048 499 V CB -0.680 30.998 31.823 -0.242 0.000 0.666 499 V HN 0.372 nan 8.190 nan 0.000 0.456 500 W N 0.574 121.934 121.300 0.100 0.000 2.363 500 W HA -0.172 4.490 4.660 0.004 0.000 0.296 500 W C 2.567 179.248 176.519 0.271 0.000 1.212 500 W CA 1.780 59.225 57.345 0.166 0.000 1.260 500 W CB -0.184 29.374 29.460 0.163 0.000 1.131 500 W HN 0.124 nan 8.180 nan 0.000 0.530 501 K N 0.219 120.908 120.400 0.481 0.000 2.026 501 K HA -0.179 4.143 4.320 0.004 0.000 0.208 501 K C 2.089 178.786 176.600 0.162 0.000 1.048 501 K CA 1.973 58.522 56.287 0.436 0.000 0.929 501 K CB -0.386 32.351 32.500 0.396 0.000 0.713 501 K HN -0.049 nan 8.250 nan 0.000 0.439 502 S N 0.642 116.397 115.700 0.092 0.000 2.368 502 S HA -0.160 4.312 4.470 0.004 0.000 0.225 502 S C 1.897 176.484 174.600 -0.021 0.000 1.030 502 S CA 1.416 59.620 58.200 0.006 0.000 0.999 502 S CB -0.316 62.873 63.200 -0.019 0.000 0.844 502 S HN 0.379 nan 8.310 nan 0.000 0.459 503 R N 1.314 121.812 120.500 -0.003 0.000 2.091 503 R HA -0.089 4.253 4.340 0.004 0.000 0.238 503 R C 2.361 178.653 176.300 -0.013 0.000 1.136 503 R CA 1.369 57.458 56.100 -0.018 0.000 0.959 503 R CB -0.512 29.769 30.300 -0.031 0.000 0.856 503 R HN 0.379 nan 8.270 nan 0.000 0.437 504 A N 0.996 123.855 122.820 0.064 0.000 1.940 504 A HA -0.170 4.152 4.320 0.004 0.000 0.219 504 A C 2.137 179.527 177.584 -0.323 0.000 1.176 504 A CA 1.440 53.417 52.037 -0.100 0.000 0.631 504 A CB -0.463 18.586 19.000 0.081 0.000 0.814 504 A HN 0.373 nan 8.150 nan 0.000 0.446 505 R N -0.659 119.709 120.500 -0.221 0.000 2.091 505 R HA -0.122 4.220 4.340 0.004 0.000 0.238 505 R C 2.432 178.611 176.300 -0.203 0.000 1.136 505 R CA 1.309 57.279 56.100 -0.217 0.000 0.959 505 R CB -0.413 29.802 30.300 -0.142 0.000 0.856 505 R HN 0.533 nan 8.270 nan 0.000 0.437 506 A N 0.420 123.139 122.820 -0.169 0.000 1.929 506 A HA -0.050 4.272 4.320 0.004 0.000 0.216 506 A C 2.322 179.795 177.584 -0.185 0.000 1.176 506 A CA 0.903 52.853 52.037 -0.145 0.000 0.628 506 A CB -0.297 18.640 19.000 -0.104 0.000 0.816 506 A HN 0.095 nan 8.150 nan 0.000 0.444 507 V N 0.391 120.150 119.914 -0.258 0.000 2.295 507 V HA -0.275 3.847 4.120 0.004 0.000 0.246 507 V C 2.652 178.485 176.094 -0.435 0.000 1.049 507 V CA 2.330 64.431 62.300 -0.332 0.000 1.024 507 V CB -0.841 30.715 31.823 -0.445 0.000 0.648 507 V HN 0.707 nan 8.190 nan 0.000 0.447 508 R N 0.478 120.627 120.500 -0.585 0.000 2.080 508 R HA -0.207 4.136 4.340 0.004 0.000 0.236 508 R C 2.309 178.485 176.300 -0.207 0.000 1.137 508 R CA 1.976 57.828 56.100 -0.413 0.000 0.943 508 R CB -0.566 29.535 30.300 -0.333 0.000 0.846 508 R HN 0.455 nan 8.270 nan 0.000 0.431 509 A N 0.263 122.976 122.820 -0.178 0.000 1.908 509 A HA -0.158 4.165 4.320 0.004 0.000 0.218 509 A C 2.256 179.788 177.584 -0.087 0.000 1.181 509 A CA 2.031 53.999 52.037 -0.114 0.000 0.627 509 A CB -0.659 18.281 19.000 -0.101 0.000 0.818 509 A HN 0.491 nan 8.150 nan 0.000 0.445 510 S N -0.183 115.460 115.700 -0.095 0.000 2.368 510 S HA -0.105 4.367 4.470 0.004 0.000 0.225 510 S C 1.835 176.414 174.600 -0.035 0.000 1.030 510 S CA 1.479 59.644 58.200 -0.059 0.000 0.999 510 S CB -0.471 62.695 63.200 -0.056 0.000 0.844 510 S HN 0.505 nan 8.310 nan 0.000 0.459 511 L N 0.912 122.106 121.223 -0.047 0.000 2.046 511 L HA -0.098 4.244 4.340 0.004 0.000 0.208 511 L C 2.209 179.077 176.870 -0.004 0.000 1.077 511 L CA 1.200 56.037 54.840 -0.004 0.000 0.747 511 L CB -0.537 41.513 42.059 -0.015 0.000 0.896 511 L HN 0.300 nan 8.230 nan 0.000 0.432 512 I N -0.393 120.160 120.570 -0.029 0.000 2.286 512 I HA -0.275 3.897 4.170 0.004 0.000 0.248 512 I C 2.754 178.863 176.117 -0.013 0.000 1.115 512 I CA 1.451 62.739 61.300 -0.020 0.000 1.392 512 I CB -0.321 37.658 38.000 -0.035 0.000 1.065 512 I HN 0.360 nan 8.210 nan 0.000 0.418 513 S N 0.970 116.659 115.700 -0.019 0.000 2.419 513 S HA -0.178 4.295 4.470 0.004 0.000 0.233 513 S C 2.015 176.615 174.600 -0.001 0.000 1.016 513 S CA 0.871 59.063 58.200 -0.013 0.000 0.974 513 S CB -0.423 62.766 63.200 -0.018 0.000 0.786 513 S HN 0.422 nan 8.310 nan 0.000 0.492 514 R N 1.201 121.705 120.500 0.007 0.000 2.275 514 R HA 0.304 4.647 4.340 0.004 0.000 0.199 514 R C 1.510 177.822 176.300 0.020 0.000 0.989 514 R CA 0.398 56.509 56.100 0.018 0.000 1.016 514 R CB -0.604 29.716 30.300 0.033 0.000 0.918 514 R HN 0.592 nan 8.270 nan 0.000 0.473 515 G N -0.170 108.640 108.800 0.016 0.000 2.752 515 G HA2 -0.092 3.870 3.960 0.004 0.000 0.234 515 G HA3 -0.092 3.870 3.960 0.004 0.000 0.234 515 G C 0.462 175.377 174.900 0.024 0.000 1.367 515 G CA -0.409 44.700 45.100 0.016 0.000 0.879 515 G HN 0.626 nan 8.290 nan 0.000 0.563 516 G N -0.860 107.952 108.800 0.021 0.000 2.582 516 G HA2 -0.247 3.715 3.960 0.004 0.000 0.288 516 G HA3 -0.247 3.715 3.960 0.004 0.000 0.288 516 G C 1.069 175.984 174.900 0.025 0.000 1.247 516 G CA 1.363 46.477 45.100 0.022 0.000 0.972 516 G HN 1.552 nan 8.290 nan 0.000 0.557 517 K N 0.557 120.975 120.400 0.030 0.000 2.147 517 K HA 0.169 4.491 4.320 0.004 0.000 0.205 517 K C 3.067 179.700 176.600 0.055 0.000 1.049 517 K CA 1.662 57.968 56.287 0.032 0.000 0.936 517 K CB -0.348 32.177 32.500 0.042 0.000 0.722 517 K HN 0.670 nan 8.250 nan 0.000 0.446 518 A N 1.464 124.328 122.820 0.074 0.000 1.902 518 A HA -0.136 4.186 4.320 0.004 0.000 0.217 518 A C 2.362 179.980 177.584 0.055 0.000 1.181 518 A CA 1.881 53.976 52.037 0.097 0.000 0.623 518 A CB -0.698 18.361 19.000 0.100 0.000 0.818 518 A HN 0.328 nan 8.150 nan 0.000 0.443 519 A N -0.681 122.161 122.820 0.037 0.000 1.969 519 A HA 0.072 4.394 4.320 0.004 0.000 0.218 519 A C 2.184 179.789 177.584 0.034 0.000 1.169 519 A CA 1.563 53.615 52.037 0.025 0.000 0.635 519 A CB -0.759 18.253 19.000 0.019 0.000 0.810 519 A HN 0.357 nan 8.150 nan 0.000 0.445 520 V N -0.776 119.157 119.914 0.032 0.000 2.343 520 V HA -0.326 3.796 4.120 0.004 0.000 0.247 520 V C 2.636 178.740 176.094 0.018 0.000 1.051 520 V CA 2.067 64.389 62.300 0.036 0.000 1.036 520 V CB -1.110 30.672 31.823 -0.070 0.000 0.654 520 V HN 0.714 nan 8.190 nan 0.000 0.451 521 C N 0.693 119.975 119.300 -0.030 0.000 2.413 521 C HA -0.083 4.379 4.460 0.004 0.000 0.276 521 C C 2.935 177.884 174.990 -0.069 0.000 1.248 521 C CA 0.811 59.760 59.018 -0.116 0.000 1.742 521 C CB -1.722 25.918 27.740 -0.167 0.000 2.017 521 C HN 0.689 nan 8.230 nan 0.000 0.481 522 G N 0.205 109.009 108.800 0.007 0.000 2.459 522 G HA2 -0.214 3.748 3.960 0.004 0.000 0.217 522 G HA3 -0.214 3.748 3.960 0.004 0.000 0.217 522 G C 1.787 176.723 174.900 0.060 0.000 1.183 522 G CA 0.604 45.746 45.100 0.069 0.000 0.776 522 G HN 0.581 nan 8.290 nan 0.000 0.552 523 R N -1.096 119.418 120.500 0.024 0.000 2.073 523 R HA -0.038 4.304 4.340 0.004 0.000 0.234 523 R C 2.409 178.619 176.300 -0.150 0.000 1.134 523 R CA 1.455 57.528 56.100 -0.046 0.000 0.952 523 R CB -0.402 29.885 30.300 -0.022 0.000 0.850 523 R HN 0.470 nan 8.270 nan 0.000 0.433 524 Y N 0.425 120.557 120.300 -0.281 0.000 2.231 524 Y HA 0.007 4.559 4.550 0.004 0.000 0.294 524 Y C 2.153 177.727 175.900 -0.544 0.000 1.120 524 Y CA 0.834 58.608 58.100 -0.543 0.000 1.141 524 Y CB -0.186 37.752 38.460 -0.870 0.000 1.022 524 Y HN -0.081 nan 8.280 nan 0.000 0.523 525 L N -1.865 119.171 121.223 -0.311 0.000 2.217 525 L HA -0.107 4.235 4.340 0.004 0.000 0.211 525 L C 0.568 177.139 176.870 -0.497 0.000 1.107 525 L CA 1.146 55.743 54.840 -0.406 0.000 0.783 525 L CB -0.286 41.356 42.059 -0.695 0.000 0.919 525 L HN 0.155 nan 8.230 nan 0.000 0.442 526 F N -1.559 118.327 119.950 -0.107 0.000 2.735 526 F HA 0.194 4.724 4.527 0.004 0.000 0.304 526 F C 1.541 177.053 175.800 -0.481 0.000 1.119 526 F CA -0.394 57.365 58.000 -0.402 0.000 1.280 526 F CB -0.432 38.335 39.000 -0.387 0.000 0.994 526 F HN -0.092 nan 8.300 nan 0.000 0.520 527 N N 1.169 119.792 118.700 -0.129 0.000 2.289 527 N HA -0.193 4.549 4.740 0.004 0.000 0.184 527 N C 2.028 177.506 175.510 -0.054 0.000 1.016 527 N CA 1.603 54.593 53.050 -0.100 0.000 0.872 527 N CB -0.195 38.251 38.487 -0.068 0.000 0.973 527 N HN 0.546 nan 8.380 nan 0.000 0.433 528 W N -0.228 121.106 121.300 0.058 0.000 2.392 528 W HA 0.031 4.693 4.660 0.004 0.000 0.279 528 W C 1.264 177.835 176.519 0.086 0.000 1.225 528 W CA 0.838 58.227 57.345 0.074 0.000 1.233 528 W CB -0.836 28.677 29.460 0.089 0.000 1.122 528 W HN 0.063 nan 8.180 nan 0.000 0.561 529 A N 1.414 123.804 122.820 -0.717 0.000 2.132 529 A HA 0.197 4.519 4.320 0.004 0.000 0.213 529 A C 1.071 178.497 177.584 -0.263 0.000 1.154 529 A CA 0.909 52.525 52.037 -0.702 0.000 0.753 529 A CB -0.799 17.501 19.000 -1.166 0.000 0.826 529 A HN 0.125 nan 8.150 nan 0.000 0.469 530 V N -2.636 117.158 119.914 -0.199 0.000 2.539 530 V HA 0.370 4.492 4.120 0.004 0.000 0.292 530 V C 0.798 176.857 176.094 -0.059 0.000 1.045 530 V CA -0.801 61.428 62.300 -0.118 0.000 0.945 530 V CB 1.315 33.067 31.823 -0.119 0.000 0.993 530 V HN 0.337 nan 8.190 nan 0.000 0.464 531 K N 1.611 121.985 120.400 -0.044 0.000 2.026 531 K HA -0.020 4.302 4.320 0.004 0.000 0.208 531 K C 0.705 177.287 176.600 -0.031 0.000 1.048 531 K CA 1.604 57.876 56.287 -0.025 0.000 0.929 531 K CB -0.189 32.299 32.500 -0.021 0.000 0.713 531 K HN 0.790 nan 8.250 nan 0.000 0.439 532 T N 3.249 117.779 114.554 -0.039 0.000 2.875 532 T HA 0.164 4.516 4.350 0.004 0.000 0.307 532 T C -0.354 174.316 174.700 -0.050 0.000 1.013 532 T CA -0.113 61.962 62.100 -0.041 0.000 0.970 532 T CB 0.502 69.347 68.868 -0.039 0.000 0.986 532 T HN 0.037 nan 8.240 nan 0.000 0.536 533 K N 2.788 123.159 120.400 -0.048 0.000 2.185 533 K HA 0.429 4.752 4.320 0.004 0.000 0.271 533 K C 0.109 176.669 176.600 -0.067 0.000 1.013 533 K CA -0.588 55.665 56.287 -0.057 0.000 0.943 533 K CB 1.029 33.503 32.500 -0.043 0.000 0.998 533 K HN 0.428 nan 8.250 nan 0.000 0.468 534 L N 1.920 123.087 121.223 -0.092 0.000 2.439 534 L HA 0.249 4.591 4.340 0.004 0.000 0.261 534 L C 0.549 177.352 176.870 -0.112 0.000 1.153 534 L CA -0.486 54.289 54.840 -0.107 0.000 0.808 534 L CB 0.489 42.460 42.059 -0.147 0.000 1.126 534 L HN 0.449 nan 8.230 nan 0.000 0.460 535 K N 2.681 123.022 120.400 -0.097 0.000 2.267 535 K HA 0.389 4.711 4.320 0.004 0.000 0.282 535 K C -1.012 175.513 176.600 -0.126 0.000 1.078 535 K CA -0.398 55.839 56.287 -0.083 0.000 0.903 535 K CB 0.482 32.954 32.500 -0.046 0.000 1.111 535 K HN 0.445 nan 8.250 nan 0.000 0.475 536 L N 4.190 125.314 121.223 -0.165 0.000 2.290 536 L HA 0.228 4.570 4.340 0.004 0.000 0.284 536 L C 0.705 177.559 176.870 -0.027 0.000 1.078 536 L CA -0.545 54.122 54.840 -0.289 0.000 0.815 536 L CB 1.225 43.012 42.059 -0.454 0.000 1.162 536 L HN 0.672 nan 8.230 nan 0.000 0.435 537 T N 0.706 115.314 114.554 0.090 0.000 2.929 537 T HA 0.512 4.864 4.350 0.004 0.000 0.284 537 T C -2.547 172.299 174.700 0.244 0.000 1.014 537 T CA -2.333 59.857 62.100 0.150 0.000 1.051 537 T CB 1.370 70.303 68.868 0.108 0.000 1.028 537 T HN 0.211 nan 8.240 nan 0.000 0.485 538 P HA 0.170 nan 4.420 nan 0.000 0.264 538 P C -0.645 176.711 177.300 0.093 0.000 1.183 538 P CA -0.126 63.055 63.100 0.135 0.000 0.763 538 P CB 0.216 31.964 31.700 0.081 0.000 0.807 539 L N 6.883 128.132 121.223 0.044 0.000 2.281 539 L HA 0.206 4.548 4.340 0.004 0.000 0.285 539 L C -1.186 175.667 176.870 -0.028 0.000 1.074 539 L CA -1.658 53.155 54.840 -0.045 0.000 0.817 539 L CB 0.985 42.944 42.059 -0.165 0.000 1.168 539 L HN 0.317 nan 8.230 nan 0.000 0.434 540 P HA -0.193 nan 4.420 nan 0.000 0.216 540 P C 0.917 178.196 177.300 -0.035 0.000 1.153 540 P CA 1.181 64.269 63.100 -0.021 0.000 0.858 540 P CB 0.277 31.966 31.700 -0.017 0.000 0.789 541 E N -0.218 119.953 120.200 -0.048 0.000 2.209 541 E HA -0.143 4.210 4.350 0.004 0.000 0.196 541 E C 2.053 178.617 176.600 -0.060 0.000 0.993 541 E CA 1.329 57.697 56.400 -0.053 0.000 0.819 541 E CB -1.054 28.611 29.700 -0.059 0.000 0.745 541 E HN 0.215 nan 8.360 nan 0.000 0.477 542 A N 1.284 124.070 122.820 -0.056 0.000 1.902 542 A HA -0.195 4.127 4.320 0.004 0.000 0.217 542 A C 2.047 179.590 177.584 -0.069 0.000 1.181 542 A CA 1.468 53.470 52.037 -0.058 0.000 0.623 542 A CB -0.295 18.689 19.000 -0.027 0.000 0.818 542 A HN 0.101 nan 8.150 nan 0.000 0.443 543 R N -1.088 119.381 120.500 -0.052 0.000 2.115 543 R HA 0.016 4.358 4.340 0.004 0.000 0.226 543 R C 1.672 177.935 176.300 -0.063 0.000 1.100 543 R CA 1.098 57.166 56.100 -0.052 0.000 0.980 543 R CB -0.406 29.874 30.300 -0.033 0.000 0.875 543 R HN 0.415 nan 8.270 nan 0.000 0.445 544 L N 0.718 121.905 121.223 -0.060 0.000 2.376 544 L HA -0.044 4.298 4.340 0.004 0.000 0.219 544 L C 0.375 177.195 176.870 -0.083 0.000 1.133 544 L CA 0.550 55.354 54.840 -0.059 0.000 0.816 544 L CB -0.276 41.756 42.059 -0.045 0.000 0.933 544 L HN 0.020 nan 8.230 nan 0.000 0.449 545 L N 0.532 121.688 121.223 -0.112 0.000 2.499 545 L HA -0.021 4.321 4.340 0.004 0.000 0.273 545 L C 0.331 177.084 176.870 -0.195 0.000 1.195 545 L CA 0.393 55.133 54.840 -0.167 0.000 0.882 545 L CB -0.120 41.803 42.059 -0.228 0.000 1.133 545 L HN 0.015 nan 8.230 nan 0.000 0.483 546 D N 3.877 124.160 120.400 -0.194 0.000 2.468 546 D HA 0.144 4.786 4.640 0.004 0.000 0.218 546 D C 0.115 176.221 176.300 -0.324 0.000 1.155 546 D CA -0.287 53.600 54.000 -0.188 0.000 0.924 546 D CB 0.400 41.138 40.800 -0.105 0.000 1.029 546 D HN 0.193 nan 8.370 nan 0.000 0.515 547 L N 2.897 123.862 121.223 -0.430 0.000 2.791 547 L HA 0.090 4.433 4.340 0.004 0.000 0.239 547 L C 2.139 178.818 176.870 -0.318 0.000 1.203 547 L CA 0.205 54.607 54.840 -0.730 0.000 1.002 547 L CB -1.133 40.415 42.059 -0.852 0.000 1.295 547 L HN 0.380 nan 8.230 nan 0.000 0.504 548 S N -0.635 114.968 115.700 -0.163 0.000 2.399 548 S HA -0.161 4.311 4.470 0.004 0.000 0.231 548 S C 1.837 176.425 174.600 -0.021 0.000 1.022 548 S CA 1.327 59.489 58.200 -0.063 0.000 0.983 548 S CB -0.398 62.775 63.200 -0.046 0.000 0.803 548 S HN 0.534 nan 8.310 nan 0.000 0.480 549 S N -0.948 114.752 115.700 0.000 0.000 2.603 549 S HA 0.174 4.646 4.470 0.004 0.000 0.220 549 S C -0.190 174.409 174.600 -0.001 0.000 0.967 549 S CA -0.613 57.529 58.200 -0.096 0.000 0.920 549 S CB -0.547 62.522 63.200 -0.218 0.000 0.773 549 S HN 0.588 nan 8.310 nan 0.000 0.529 550 W N 1.300 122.410 121.300 -0.317 0.000 2.316 550 W HA 0.597 5.260 4.660 0.004 0.000 0.321 550 W C -0.408 175.816 176.519 -0.491 0.000 1.203 550 W CA -1.682 55.299 57.345 -0.605 0.000 1.214 550 W CB -0.629 28.232 29.460 -0.997 0.000 1.169 550 W HN 0.115 nan 8.180 nan 0.000 0.561 551 F N 0.895 120.834 119.950 -0.019 0.000 2.448 551 F HA -0.206 4.324 4.527 0.004 0.000 0.366 551 F C 0.273 176.143 175.800 0.117 0.000 1.110 551 F CA 0.187 58.176 58.000 -0.018 0.000 1.228 551 F CB -2.161 36.800 39.000 -0.065 0.000 1.732 551 F HN 0.188 nan 8.300 nan 0.000 0.795 552 T N -1.461 113.253 114.554 0.266 0.000 2.864 552 T HA 0.701 5.053 4.350 0.004 0.000 0.289 552 T C -0.073 174.733 174.700 0.178 0.000 1.082 552 T CA -0.939 61.293 62.100 0.219 0.000 1.009 552 T CB 2.206 71.142 68.868 0.115 0.000 1.234 552 T HN 0.308 nan 8.240 nan 0.000 0.526 553 V N 1.371 121.393 119.914 0.181 0.000 2.763 553 V HA 0.452 4.574 4.120 0.004 0.000 0.306 553 V C 1.082 177.058 176.094 -0.197 0.000 1.059 553 V CA 0.968 63.212 62.300 -0.094 0.000 1.138 553 V CB 0.617 32.512 31.823 0.121 0.000 0.940 553 V HN 1.054 nan 8.190 nan 0.000 0.489 554 G N 4.069 112.618 108.800 -0.418 0.000 2.582 554 G HA2 0.700 4.662 3.960 0.004 0.000 0.232 554 G HA3 0.700 4.662 3.960 0.004 0.000 0.232 554 G C -0.379 174.458 174.900 -0.105 0.000 1.458 554 G CA -0.037 44.940 45.100 -0.206 0.000 1.062 554 G HN 1.320 nan 8.290 nan 0.000 0.566 555 A N -1.882 120.895 122.820 -0.072 0.000 2.423 555 A HA 0.764 5.086 4.320 0.004 0.000 0.304 555 A C 0.381 177.953 177.584 -0.021 0.000 1.104 555 A CA 0.035 52.053 52.037 -0.030 0.000 0.757 555 A CB 1.111 20.104 19.000 -0.011 0.000 1.313 555 A HN 1.547 nan 8.150 nan 0.000 0.423 556 G N -0.505 108.301 108.800 0.010 0.000 2.305 556 G HA2 0.490 4.452 3.960 0.004 0.000 0.243 556 G HA3 0.490 4.452 3.960 0.004 0.000 0.243 556 G C 1.240 176.158 174.900 0.029 0.000 1.288 556 G CA 0.712 45.835 45.100 0.039 0.000 0.901 556 G HN 2.389 nan 8.290 nan 0.000 0.516 557 G N 0.888 109.707 108.800 0.032 0.000 2.175 557 G HA2 0.134 4.096 3.960 0.004 0.000 0.265 557 G HA3 0.134 4.096 3.960 0.004 0.000 0.265 557 G C 1.442 176.327 174.900 -0.024 0.000 0.979 557 G CA 1.068 46.171 45.100 0.005 0.000 0.663 557 G HN 2.624 nan 8.290 nan 0.000 0.533 558 G N -0.556 108.230 108.800 -0.024 0.000 2.221 558 G HA2 -0.193 3.769 3.960 0.004 0.000 0.265 558 G HA3 -0.193 3.769 3.960 0.004 0.000 0.265 558 G C 0.190 175.046 174.900 -0.073 0.000 1.041 558 G CA 0.977 46.049 45.100 -0.048 0.000 0.807 558 G HN 1.207 nan 8.290 nan 0.000 0.502 559 D N 0.281 120.645 120.400 -0.061 0.000 3.085 559 D HA 0.370 5.013 4.640 0.004 0.000 0.243 559 D C 0.642 176.892 176.300 -0.084 0.000 1.232 559 D CA -0.056 53.902 54.000 -0.070 0.000 0.913 559 D CB -0.262 40.508 40.800 -0.049 0.000 1.108 559 D HN 0.303 nan 8.370 nan 0.000 0.468 560 I N 1.095 121.591 120.570 -0.124 0.000 2.722 560 I HA 0.371 4.543 4.170 0.004 0.000 0.295 560 I C -1.225 174.725 176.117 -0.278 0.000 1.161 560 I CA -0.946 60.234 61.300 -0.200 0.000 1.032 560 I CB 1.940 39.840 38.000 -0.167 0.000 1.244 560 I HN -0.096 nan 8.210 nan 0.000 0.421 561 F N 5.516 125.109 119.950 -0.595 0.000 2.569 561 F HA 0.538 5.068 4.527 0.004 0.000 0.312 561 F C -1.045 174.296 175.800 -0.765 0.000 1.109 561 F CA -0.314 57.325 58.000 -0.601 0.000 0.919 561 F CB 1.372 40.145 39.000 -0.379 0.000 1.211 561 F HN 0.361 nan 8.300 nan 0.000 0.446 562 H N 3.993 122.335 119.070 -1.214 0.000 2.547 562 H HA 0.664 5.222 4.556 0.004 0.000 0.342 562 H C -0.826 173.979 175.328 -0.873 0.000 1.048 562 H CA -0.431 55.125 56.048 -0.820 0.000 1.204 562 H CB 1.916 31.378 29.762 -0.499 0.000 1.493 562 H HN 0.708 nan 8.280 nan 0.000 0.511 563 S N 0.000 115.474 115.700 -0.376 0.000 2.498 563 S HA 0.000 4.472 4.470 0.004 0.000 0.327 563 S CA 0.000 58.090 58.200 -0.184 0.000 1.107 563 S CB 0.000 63.080 63.200 -0.200 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517