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 2oal_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSGKIDKILI VGGGTAGWMA ASYLGKALQG TADITLLQAP DIPTLGVGEA DATA SEQUENCE TIPNLQTAFF DFLGIPEDEW MRECNASYKV AIKFINWRTA GEGTSEAREL DATA SEQUENCE DGGPDHFYHS FGLLKYHEQI PLSHYWFDRS YRGKTVEPFD YACYKEPVIL DATA SEQUENCE DANRSPRRLD GSKVTNYAWH FDAHLVADFL RRFATEKLGV RHVEDRVEHV DATA SEQUENCE QRDANGNIES VRTATGRVFD ADLFVDCSGF RGLLINKAME EPFLDMSDHL DATA SEQUENCE LNDSAVATQV PHDDDANGVE PFTSAIAMKS GWTWKIPMLG RFGTGYVYSS DATA SEQUENCE RFATEDEAVR EFCEMWHLDP ETQPLNRIRF RVGRNRRAWV GNCVSIGTSS DATA SEQUENCE CFVEPLESTG IYFVYAALYQ LVKHFPDKSL NPVLTARFNR EIETMFDDTR DATA SEQUENCE DFIQAHFYFS PRTDTPFWRA NKELRLADGM QEKIDMYRAG MAINAPASDD DATA SEQUENCE AQLYYGNFEE EFRNFWNNSN YYCVLAGLGL VPDAPSPRLA HMPQATESVD DATA SEQUENCE EVFGAVKDRQ RNLLETLPSL HEFLRQQ 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 S N 1.256 116.966 115.700 0.016 0.000 3.397 2 S HA 0.531 5.005 4.470 0.008 0.000 0.242 2 S C 0.835 175.449 174.600 0.023 0.000 1.173 2 S CA 0.504 58.716 58.200 0.020 0.000 1.225 2 S CB -1.104 62.107 63.200 0.018 0.000 1.188 2 S HN 2.249 nan 8.310 nan 0.000 0.459 3 G N 0.794 109.608 108.800 0.024 0.000 2.488 3 G HA2 0.533 4.498 3.960 0.008 0.000 0.318 3 G HA3 0.533 4.498 3.960 0.008 0.000 0.318 3 G C 0.095 175.017 174.900 0.037 0.000 1.188 3 G CA -0.854 44.262 45.100 0.026 0.000 0.944 3 G HN 0.667 nan 8.290 nan 0.000 0.495 4 K N -0.487 119.939 120.400 0.045 0.000 2.187 4 K HA 0.248 4.573 4.320 0.008 0.000 0.247 4 K C 0.004 176.646 176.600 0.071 0.000 1.019 4 K CA -0.625 55.704 56.287 0.070 0.000 0.893 4 K CB 0.589 33.133 32.500 0.074 0.000 1.025 4 K HN 0.109 nan 8.250 nan 0.000 0.500 5 I N 2.457 123.094 120.570 0.112 0.000 2.618 5 I HA -0.080 4.094 4.170 0.008 0.000 0.284 5 I C 0.577 176.739 176.117 0.075 0.000 1.146 5 I CA 0.430 61.784 61.300 0.089 0.000 1.425 5 I CB 0.583 38.669 38.000 0.143 0.000 1.383 5 I HN 0.763 nan 8.210 nan 0.000 0.562 6 D N 4.958 125.378 120.400 0.033 0.000 2.394 6 D HA 0.102 4.747 4.640 0.008 0.000 0.226 6 D C 0.304 176.602 176.300 -0.004 0.000 0.990 6 D CA 0.843 54.852 54.000 0.016 0.000 0.902 6 D CB 0.760 41.565 40.800 0.009 0.000 1.038 6 D HN 0.454 nan 8.370 nan 0.000 0.499 7 K N 0.472 120.856 120.400 -0.027 0.000 2.378 7 K HA 0.612 4.937 4.320 0.008 0.000 0.252 7 K C -0.712 175.809 176.600 -0.132 0.000 0.931 7 K CA -0.404 55.844 56.287 -0.065 0.000 0.794 7 K CB 3.021 35.482 32.500 -0.065 0.000 1.181 7 K HN -0.164 nan 8.250 nan 0.000 0.425 8 I N 3.277 123.760 120.570 -0.146 0.000 2.498 8 I HA 0.314 4.489 4.170 0.008 0.000 0.290 8 I C -1.401 174.559 176.117 -0.262 0.000 1.032 8 I CA -1.122 60.048 61.300 -0.217 0.000 1.073 8 I CB 1.772 39.708 38.000 -0.108 0.000 1.251 8 I HN 0.331 nan 8.210 nan 0.000 0.426 9 L N 7.890 128.864 121.223 -0.414 0.000 2.325 9 L HA 0.593 4.938 4.340 0.008 0.000 0.281 9 L C -0.888 175.850 176.870 -0.220 0.000 1.004 9 L CA -0.077 54.573 54.840 -0.317 0.000 0.823 9 L CB 1.232 43.071 42.059 -0.367 0.000 1.236 9 L HN 0.396 nan 8.230 nan 0.000 0.415 10 I N 5.839 126.288 120.570 -0.202 0.000 2.321 10 I HA 0.330 4.505 4.170 0.008 0.000 0.291 10 I C -0.622 175.378 176.117 -0.195 0.000 0.998 10 I CA -0.752 60.428 61.300 -0.199 0.000 1.227 10 I CB 1.607 39.443 38.000 -0.273 0.000 1.368 10 I HN 0.248 nan 8.210 nan 0.000 0.466 11 V N 5.904 125.740 119.914 -0.129 0.000 2.333 11 V HA 0.792 4.917 4.120 0.008 0.000 0.274 11 V C 0.383 176.397 176.094 -0.132 0.000 1.028 11 V CA -0.313 61.921 62.300 -0.111 0.000 0.851 11 V CB 0.790 32.590 31.823 -0.038 0.000 1.000 11 V HN 1.049 nan 8.190 nan 0.000 0.456 12 G N 3.465 112.168 108.800 -0.162 0.000 3.101 12 G HA2 0.293 4.257 3.960 0.008 0.000 0.672 12 G HA3 0.293 4.257 3.960 0.008 0.000 0.672 12 G C -0.035 174.704 174.900 -0.268 0.000 1.331 12 G CA -0.425 44.583 45.100 -0.154 0.000 0.925 12 G HN 1.142 nan 8.290 nan 0.000 0.596 13 G N 0.461 109.150 108.800 -0.185 0.000 4.222 13 G HA2 0.677 4.642 3.960 0.008 0.000 0.301 13 G HA3 0.677 4.642 3.960 0.008 0.000 0.301 13 G C 0.824 175.765 174.900 0.069 0.000 1.171 13 G CA 0.928 45.872 45.100 -0.261 0.000 0.937 13 G HN 1.245 nan 8.290 nan 0.000 0.557 14 G N 0.053 108.874 108.800 0.034 0.000 2.714 14 G HA2 0.334 4.299 3.960 0.008 0.000 0.197 14 G HA3 0.334 4.299 3.960 0.008 0.000 0.197 14 G C 1.175 176.198 174.900 0.206 0.000 1.449 14 G CA 0.650 45.843 45.100 0.155 0.000 1.065 14 G HN 0.073 nan 8.290 nan 0.000 0.575 15 T N 0.968 115.622 114.554 0.166 0.000 2.737 15 T HA -0.012 4.343 4.350 0.008 0.000 0.265 15 T C 2.749 177.496 174.700 0.079 0.000 1.038 15 T CA 1.793 63.988 62.100 0.157 0.000 1.144 15 T CB -0.483 68.461 68.868 0.127 0.000 0.866 15 T HN 0.524 nan 8.240 nan 0.000 0.434 16 A N 1.485 124.312 122.820 0.013 0.000 1.902 16 A HA 0.111 4.436 4.320 0.008 0.000 0.217 16 A C 2.618 180.159 177.584 -0.072 0.000 1.181 16 A CA 1.908 53.922 52.037 -0.039 0.000 0.623 16 A CB -1.436 17.533 19.000 -0.051 0.000 0.818 16 A HN 0.502 nan 8.150 nan 0.000 0.443 17 G N -1.431 107.286 108.800 -0.138 0.000 2.459 17 G HA2 -0.275 3.690 3.960 0.008 0.000 0.217 17 G HA3 -0.275 3.690 3.960 0.008 0.000 0.217 17 G C 1.391 176.052 174.900 -0.399 0.000 1.183 17 G CA 0.997 45.899 45.100 -0.330 0.000 0.776 17 G HN 0.684 nan 8.290 nan 0.000 0.552 18 W N 0.148 121.450 121.300 0.003 0.000 2.584 18 W HA 0.282 4.946 4.660 0.008 0.000 0.264 18 W C 2.817 179.405 176.519 0.115 0.000 1.264 18 W CA -0.008 57.357 57.345 0.034 0.000 1.306 18 W CB -0.036 29.444 29.460 0.034 0.000 1.110 18 W HN 0.114 nan 8.180 nan 0.000 0.606 19 M N -0.354 119.397 119.600 0.250 0.000 2.156 19 M HA -0.100 4.385 4.480 0.008 0.000 0.264 19 M C 2.446 178.925 176.300 0.299 0.000 1.067 19 M CA 1.757 57.225 55.300 0.281 0.000 1.131 19 M CB -0.610 31.959 32.600 -0.052 0.000 1.368 19 M HN 0.046 nan 8.290 nan 0.000 0.416 20 A N 0.418 123.307 122.820 0.115 0.000 1.902 20 A HA -0.052 4.273 4.320 0.008 0.000 0.217 20 A C 2.335 179.982 177.584 0.104 0.000 1.181 20 A CA 1.870 53.952 52.037 0.074 0.000 0.623 20 A CB -0.943 18.028 19.000 -0.047 0.000 0.818 20 A HN 0.483 nan 8.150 nan 0.000 0.443 21 A N -0.530 122.320 122.820 0.049 0.000 1.902 21 A HA -0.079 4.246 4.320 0.008 0.000 0.217 21 A C 2.453 180.140 177.584 0.172 0.000 1.181 21 A CA 2.168 54.240 52.037 0.058 0.000 0.623 21 A CB -0.818 18.187 19.000 0.008 0.000 0.818 21 A HN 0.459 nan 8.150 nan 0.000 0.443 22 S N -1.969 113.905 115.700 0.289 0.000 2.355 22 S HA -0.104 4.370 4.470 0.008 0.000 0.222 22 S C 1.879 176.638 174.600 0.265 0.000 1.031 22 S CA 1.336 59.725 58.200 0.316 0.000 0.993 22 S CB -0.534 62.922 63.200 0.426 0.000 0.859 22 S HN 0.654 nan 8.310 nan 0.000 0.453 23 Y N 2.125 122.549 120.300 0.207 0.000 2.163 23 Y HA -0.004 4.551 4.550 0.008 0.000 0.288 23 Y C 1.969 177.970 175.900 0.169 0.000 1.136 23 Y CA 1.279 59.507 58.100 0.213 0.000 1.147 23 Y CB -0.331 38.236 38.460 0.178 0.000 0.987 23 Y HN 0.121 nan 8.280 nan 0.000 0.509 24 L N -1.127 120.270 121.223 0.291 0.000 2.093 24 L HA -0.128 4.217 4.340 0.008 0.000 0.208 24 L C 2.637 179.518 176.870 0.019 0.000 1.085 24 L CA 1.137 56.050 54.840 0.121 0.000 0.755 24 L CB -1.146 40.954 42.059 0.070 0.000 0.904 24 L HN 0.360 nan 8.230 nan 0.000 0.435 25 G N 0.155 108.973 108.800 0.030 0.000 2.422 25 G HA2 -0.299 3.666 3.960 0.008 0.000 0.218 25 G HA3 -0.299 3.666 3.960 0.008 0.000 0.218 25 G C 1.681 176.536 174.900 -0.076 0.000 1.146 25 G CA 0.860 45.941 45.100 -0.032 0.000 0.769 25 G HN 0.183 nan 8.290 nan 0.000 0.547 26 K N 1.063 121.427 120.400 -0.061 0.000 2.031 26 K HA 0.252 4.577 4.320 0.008 0.000 0.205 26 K C 2.675 179.157 176.600 -0.197 0.000 1.049 26 K CA 1.445 57.630 56.287 -0.169 0.000 0.939 26 K CB -0.678 31.669 32.500 -0.255 0.000 0.717 26 K HN 0.134 nan 8.250 nan 0.000 0.438 27 A N 0.405 123.189 122.820 -0.060 0.000 1.902 27 A HA -0.008 4.317 4.320 0.008 0.000 0.217 27 A C 1.622 179.132 177.584 -0.124 0.000 1.181 27 A CA 1.457 53.490 52.037 -0.006 0.000 0.623 27 A CB -0.444 18.598 19.000 0.070 0.000 0.818 27 A HN 0.304 nan 8.150 nan 0.000 0.443 28 L N -0.393 120.737 121.223 -0.155 0.000 2.928 28 L HA 0.195 4.540 4.340 0.008 0.000 0.246 28 L C 0.556 177.348 176.870 -0.129 0.000 1.239 28 L CA -0.398 54.333 54.840 -0.181 0.000 1.035 28 L CB -0.214 41.702 42.059 -0.237 0.000 1.360 28 L HN 0.383 nan 8.230 nan 0.000 0.529 29 Q N 1.553 121.278 119.800 -0.125 0.000 2.362 29 Q HA 0.025 4.370 4.340 0.008 0.000 0.305 29 Q C 1.309 177.252 176.000 -0.094 0.000 1.120 29 Q CA 1.164 56.898 55.803 -0.114 0.000 1.011 29 Q CB 0.218 28.877 28.738 -0.132 0.000 1.048 29 Q HN 0.568 nan 8.270 nan 0.000 0.386 30 G N 2.529 111.281 108.800 -0.080 0.000 2.179 30 G HA2 -0.302 3.663 3.960 0.008 0.000 0.260 30 G HA3 -0.302 3.663 3.960 0.008 0.000 0.260 30 G C 0.472 175.341 174.900 -0.053 0.000 0.977 30 G CA 0.611 45.673 45.100 -0.064 0.000 0.641 30 G HN 0.758 nan 8.290 nan 0.000 0.533 31 T N -3.555 110.964 114.554 -0.058 0.000 3.170 31 T HA 0.768 5.123 4.350 0.008 0.000 0.288 31 T C 0.336 175.015 174.700 -0.034 0.000 0.992 31 T CA 1.002 63.075 62.100 -0.044 0.000 0.909 31 T CB 0.912 69.750 68.868 -0.050 0.000 1.133 31 T HN 1.963 nan 8.240 nan 0.000 0.530 32 A N 0.669 123.466 122.820 -0.039 0.000 2.577 32 A HA 0.599 4.924 4.320 0.008 0.000 0.297 32 A C -1.946 175.620 177.584 -0.030 0.000 1.060 32 A CA -0.827 51.195 52.037 -0.025 0.000 0.697 32 A CB 1.170 20.157 19.000 -0.022 0.000 1.281 32 A HN 0.198 nan 8.150 nan 0.000 0.402 33 D N 2.023 122.409 120.400 -0.024 0.000 2.317 33 D HA 0.485 5.130 4.640 0.008 0.000 0.234 33 D C -0.434 175.846 176.300 -0.033 0.000 1.112 33 D CA 0.440 54.426 54.000 -0.023 0.000 0.840 33 D CB 1.230 42.022 40.800 -0.013 0.000 1.078 33 D HN 0.447 nan 8.370 nan 0.000 0.486 34 I N 1.580 122.131 120.570 -0.033 0.000 2.377 34 I HA 0.238 4.413 4.170 0.008 0.000 0.293 34 I C 0.255 176.349 176.117 -0.037 0.000 0.987 34 I CA -0.303 60.969 61.300 -0.048 0.000 1.185 34 I CB 1.769 39.741 38.000 -0.046 0.000 1.341 34 I HN 0.025 nan 8.210 nan 0.000 0.455 35 T N 6.929 121.442 114.554 -0.069 0.000 2.861 35 T HA 0.545 4.900 4.350 0.008 0.000 0.287 35 T C -0.810 173.796 174.700 -0.156 0.000 1.003 35 T CA -0.488 61.573 62.100 -0.066 0.000 0.977 35 T CB 1.951 70.800 68.868 -0.031 0.000 0.996 35 T HN 0.362 nan 8.240 nan 0.000 0.448 36 L N 3.855 124.977 121.223 -0.168 0.000 2.356 36 L HA 0.642 4.987 4.340 0.008 0.000 0.277 36 L C -1.393 175.359 176.870 -0.197 0.000 0.996 36 L CA -0.925 53.740 54.840 -0.292 0.000 0.822 36 L CB 0.877 42.572 42.059 -0.606 0.000 1.256 36 L HN 0.556 nan 8.230 nan 0.000 0.413 37 L N 5.281 126.363 121.223 -0.234 0.000 2.264 37 L HA 0.499 4.844 4.340 0.008 0.000 0.289 37 L C -0.447 176.374 176.870 -0.082 0.000 1.044 37 L CA -0.169 54.562 54.840 -0.183 0.000 0.807 37 L CB 1.476 43.376 42.059 -0.265 0.000 1.192 37 L HN 0.643 nan 8.230 nan 0.000 0.425 38 Q N 3.085 122.919 119.800 0.056 0.000 2.304 38 Q HA 0.715 5.060 4.340 0.008 0.000 0.270 38 Q C -1.575 174.497 176.000 0.120 0.000 1.035 38 Q CA -0.581 55.292 55.803 0.117 0.000 0.781 38 Q CB 2.486 31.405 28.738 0.302 0.000 1.261 38 Q HN 0.749 nan 8.270 nan 0.000 0.444 39 A N 4.369 127.234 122.820 0.075 0.000 2.340 39 A HA 0.772 5.096 4.320 0.008 0.000 0.331 39 A C -2.521 175.104 177.584 0.069 0.000 1.140 39 A CA -1.612 50.462 52.037 0.062 0.000 0.801 39 A CB 0.738 19.762 19.000 0.039 0.000 1.234 39 A HN 0.640 nan 8.150 nan 0.000 0.469 40 P HA 0.275 nan 4.420 nan 0.000 0.263 40 P C -1.028 176.298 177.300 0.044 0.000 1.195 40 P CA 0.552 63.684 63.100 0.054 0.000 0.762 40 P CB 0.459 32.184 31.700 0.041 0.000 0.799 41 D N 1.555 121.981 120.400 0.044 0.000 2.228 41 D HA 0.368 5.013 4.640 0.008 0.000 0.247 41 D C 0.177 176.494 176.300 0.028 0.000 0.995 41 D CA -0.509 53.513 54.000 0.038 0.000 0.903 41 D CB 1.005 41.832 40.800 0.044 0.000 1.205 41 D HN 0.206 nan 8.370 nan 0.000 0.459 42 I N 2.716 123.303 120.570 0.028 0.000 2.587 42 I HA 0.100 4.275 4.170 0.008 0.000 0.284 42 I C -1.720 174.408 176.117 0.018 0.000 1.134 42 I CA -1.322 59.992 61.300 0.023 0.000 1.410 42 I CB 0.471 38.487 38.000 0.027 0.000 1.392 42 I HN 0.184 nan 8.210 nan 0.000 0.545 43 P HA 0.030 nan 4.420 nan 0.000 0.266 43 P C -0.639 176.667 177.300 0.010 0.000 1.193 43 P CA 0.051 63.137 63.100 -0.022 0.000 0.770 43 P CB 0.429 32.116 31.700 -0.021 0.000 0.836 44 T N -0.731 113.829 114.554 0.010 0.000 2.906 44 T HA 0.570 4.925 4.350 0.008 0.000 0.295 44 T C -0.180 174.625 174.700 0.175 0.000 1.075 44 T CA -1.045 61.119 62.100 0.108 0.000 1.005 44 T CB 0.646 69.622 68.868 0.181 0.000 1.136 44 T HN 0.098 nan 8.240 nan 0.000 0.498 45 L N 1.238 122.574 121.223 0.188 0.000 2.452 45 L HA 0.488 4.833 4.340 0.008 0.000 0.267 45 L C 1.301 178.350 176.870 0.300 0.000 1.188 45 L CA -0.455 54.504 54.840 0.199 0.000 0.821 45 L CB 0.388 42.528 42.059 0.135 0.000 1.102 45 L HN 1.050 nan 8.230 nan 0.000 0.470 46 G N 1.502 110.464 108.800 0.269 0.000 2.519 46 G HA2 0.334 4.298 3.960 0.008 0.000 0.306 46 G HA3 0.334 4.298 3.960 0.008 0.000 0.306 46 G C 0.757 175.750 174.900 0.156 0.000 0.965 46 G CA -0.356 44.861 45.100 0.195 0.000 1.291 46 G HN 0.612 nan 8.290 nan 0.000 0.450 47 V N 1.033 121.061 119.914 0.191 0.000 3.623 47 V HA 0.554 4.679 4.120 0.008 0.000 0.271 47 V C 1.129 177.432 176.094 0.348 0.000 1.248 47 V CA 0.072 62.554 62.300 0.304 0.000 1.156 47 V CB -1.288 30.804 31.823 0.448 0.000 0.870 47 V HN 1.568 nan 8.190 nan 0.000 0.453 48 G N 0.329 109.219 108.800 0.151 0.000 2.719 48 G HA2 -0.015 3.950 3.960 0.008 0.000 0.686 48 G HA3 -0.015 3.950 3.960 0.008 0.000 0.686 48 G C -0.914 173.901 174.900 -0.141 0.000 1.201 48 G CA -0.350 44.778 45.100 0.047 0.000 0.768 48 G HN 0.564 nan 8.290 nan 0.000 0.629 49 E N -0.180 119.885 120.200 -0.224 0.000 2.292 49 E HA 0.682 5.037 4.350 0.008 0.000 0.272 49 E C 0.119 176.518 176.600 -0.335 0.000 0.881 49 E CA -0.321 55.881 56.400 -0.329 0.000 0.754 49 E CB 2.212 31.702 29.700 -0.350 0.000 1.201 49 E HN 1.426 nan 8.360 nan 0.000 0.425 50 A N 1.721 124.447 122.820 -0.155 0.000 2.325 50 A HA 0.799 5.124 4.320 0.008 0.000 0.333 50 A C 0.172 177.796 177.584 0.067 0.000 1.155 50 A CA -0.364 51.720 52.037 0.077 0.000 0.814 50 A CB 1.070 20.179 19.000 0.180 0.000 1.206 50 A HN 0.662 nan 8.150 nan 0.000 0.482 51 T N -1.242 113.424 114.554 0.187 0.000 2.724 51 T HA 0.787 5.141 4.350 0.008 0.000 0.274 51 T C -0.099 174.784 174.700 0.304 0.000 0.984 51 T CA -0.279 61.991 62.100 0.284 0.000 1.024 51 T CB 0.727 69.871 68.868 0.461 0.000 1.320 51 T HN 1.232 nan 8.240 nan 0.000 0.555 52 I N -2.658 118.078 120.570 0.275 0.000 2.892 52 I HA 0.565 4.740 4.170 0.008 0.000 0.306 52 I C -2.492 173.582 176.117 -0.072 0.000 1.078 52 I CA -3.318 57.968 61.300 -0.024 0.000 1.032 52 I CB 2.130 40.183 38.000 0.089 0.000 1.229 52 I HN 0.286 nan 8.210 nan 0.000 0.435 53 P HA -0.223 nan 4.420 nan 0.000 0.218 53 P C 0.807 178.152 177.300 0.074 0.000 1.154 53 P CA 2.004 64.821 63.100 -0.472 0.000 0.872 53 P CB -0.269 30.674 31.700 -1.260 0.000 0.790 54 N N -0.542 118.272 118.700 0.190 0.000 2.609 54 N HA -0.118 4.627 4.740 0.008 0.000 0.190 54 N C 1.380 176.998 175.510 0.179 0.000 1.157 54 N CA 0.452 53.690 53.050 0.313 0.000 0.918 54 N CB -1.441 37.349 38.487 0.506 0.000 0.978 54 N HN 0.120 nan 8.380 nan 0.000 0.448 55 L N -0.238 121.128 121.223 0.238 0.000 2.079 55 L HA -0.134 4.211 4.340 0.008 0.000 0.210 55 L C 2.293 179.111 176.870 -0.087 0.000 1.081 55 L CA 1.800 56.594 54.840 -0.076 0.000 0.752 55 L CB -0.770 41.435 42.059 0.245 0.000 0.896 55 L HN 0.225 nan 8.230 nan 0.000 0.433 56 Q N -0.779 119.092 119.800 0.118 0.000 2.096 56 Q HA -0.112 4.233 4.340 0.008 0.000 0.197 56 Q C 2.189 178.273 176.000 0.140 0.000 0.964 56 Q CA 2.279 58.179 55.803 0.162 0.000 0.838 56 Q CB -0.412 28.484 28.738 0.263 0.000 0.906 56 Q HN 0.682 nan 8.270 nan 0.000 0.444 57 T N -2.677 111.963 114.554 0.143 0.000 2.942 57 T HA 0.175 4.530 4.350 0.008 0.000 0.265 57 T C 1.656 176.409 174.700 0.088 0.000 1.062 57 T CA 0.827 63.006 62.100 0.133 0.000 1.139 57 T CB -0.183 68.789 68.868 0.174 0.000 0.883 57 T HN 0.235 nan 8.240 nan 0.000 0.468 58 A N -0.907 121.914 122.820 0.002 0.000 2.169 58 A HA 0.544 4.869 4.320 0.008 0.000 0.210 58 A C 1.573 179.061 177.584 -0.159 0.000 1.168 58 A CA -0.042 51.920 52.037 -0.125 0.000 0.813 58 A CB -0.339 18.497 19.000 -0.274 0.000 0.861 58 A HN 0.467 nan 8.150 nan 0.000 0.481 59 F N -1.750 117.934 119.950 -0.442 0.000 2.444 59 F HA 0.315 4.847 4.527 0.008 0.000 0.263 59 F C 1.529 177.142 175.800 -0.313 0.000 0.912 59 F CA 0.136 57.860 58.000 -0.461 0.000 1.122 59 F CB -0.322 38.119 39.000 -0.931 0.000 1.246 59 F HN 0.100 nan 8.300 nan 0.000 0.752 60 F N 1.618 121.377 119.950 -0.319 0.000 2.171 60 F HA -0.159 4.373 4.527 0.007 0.000 0.300 60 F C 2.203 177.859 175.800 -0.240 0.000 1.090 60 F CA 1.658 59.422 58.000 -0.392 0.000 1.293 60 F CB -0.881 37.919 39.000 -0.334 0.000 1.013 60 F HN 0.058 nan 8.300 nan 0.000 0.486 61 D N -0.703 119.727 120.400 0.050 0.000 2.144 61 D HA -0.184 4.461 4.640 0.008 0.000 0.200 61 D C 2.096 178.388 176.300 -0.015 0.000 0.978 61 D CA 0.865 54.889 54.000 0.041 0.000 0.833 61 D CB -0.603 40.246 40.800 0.082 0.000 0.961 61 D HN 0.221 nan 8.370 nan 0.000 0.470 62 F N 1.166 121.007 119.950 -0.181 0.000 2.134 62 F HA -0.089 4.443 4.527 0.007 0.000 0.299 62 F C 1.946 177.573 175.800 -0.288 0.000 1.097 62 F CA 1.120 58.977 58.000 -0.238 0.000 1.264 62 F CB -0.183 38.628 39.000 -0.314 0.000 1.001 62 F HN -0.103 nan 8.300 nan 0.000 0.479 63 L N -0.182 120.841 121.223 -0.334 0.000 2.376 63 L HA 0.103 4.448 4.340 0.008 0.000 0.219 63 L C 1.713 178.445 176.870 -0.229 0.000 1.133 63 L CA 0.801 55.432 54.840 -0.348 0.000 0.816 63 L CB -1.129 40.642 42.059 -0.480 0.000 0.933 63 L HN 0.450 nan 8.230 nan 0.000 0.449 64 G N 1.017 109.705 108.800 -0.186 0.000 2.149 64 G HA2 -0.262 3.703 3.960 0.008 0.000 0.235 64 G HA3 -0.262 3.703 3.960 0.008 0.000 0.235 64 G C 0.023 174.884 174.900 -0.064 0.000 1.018 64 G CA -0.296 44.743 45.100 -0.102 0.000 0.728 64 G HN 0.290 nan 8.290 nan 0.000 0.508 65 I N 1.289 121.820 120.570 -0.065 0.000 2.328 65 I HA 0.280 4.454 4.170 0.008 0.000 0.287 65 I C -2.037 174.113 176.117 0.055 0.000 1.012 65 I CA -2.442 58.851 61.300 -0.011 0.000 1.195 65 I CB 1.746 39.747 38.000 0.002 0.000 1.350 65 I HN -0.141 nan 8.210 nan 0.000 0.464 66 P HA -0.010 nan 4.420 nan 0.000 0.266 66 P C 0.732 178.016 177.300 -0.025 0.000 1.195 66 P CA -0.011 63.102 63.100 0.021 0.000 0.768 66 P CB 0.774 32.475 31.700 0.001 0.000 0.838 67 E N 2.001 122.189 120.200 -0.020 0.000 2.070 67 E HA -0.304 4.050 4.350 0.008 0.000 0.197 67 E C 0.857 177.129 176.600 -0.546 0.000 1.004 67 E CA 1.625 57.899 56.400 -0.211 0.000 0.805 67 E CB -0.114 29.614 29.700 0.047 0.000 0.744 67 E HN 0.415 nan 8.360 nan 0.000 0.451 68 D N 0.119 120.362 120.400 -0.262 0.000 2.178 68 D HA -0.175 4.469 4.640 0.008 0.000 0.201 68 D C 1.756 177.854 176.300 -0.336 0.000 0.980 68 D CA 0.862 54.702 54.000 -0.267 0.000 0.842 68 D CB -0.184 40.550 40.800 -0.110 0.000 0.948 68 D HN 0.396 nan 8.370 nan 0.000 0.472 69 E N 0.408 120.443 120.200 -0.275 0.000 2.028 69 E HA -0.129 4.226 4.350 0.008 0.000 0.191 69 E C 2.259 178.619 176.600 -0.400 0.000 0.988 69 E CA 0.989 57.266 56.400 -0.206 0.000 0.799 69 E CB -0.189 29.488 29.700 -0.038 0.000 0.755 69 E HN 0.464 nan 8.360 nan 0.000 0.447 70 W N 0.123 120.985 121.300 -0.730 0.000 2.436 70 W HA -0.043 4.621 4.660 0.007 0.000 0.284 70 W C 1.681 177.673 176.519 -0.878 0.000 1.225 70 W CA 0.140 56.717 57.345 -1.281 0.000 1.271 70 W CB -0.628 27.819 29.460 -1.688 0.000 1.114 70 W HN 0.063 nan 8.180 nan 0.000 0.559 71 M N 1.359 120.064 119.600 -1.491 0.000 2.086 71 M HA -0.164 4.321 4.480 0.008 0.000 0.261 71 M C 2.531 178.489 176.300 -0.570 0.000 1.067 71 M CA 2.061 56.623 55.300 -1.229 0.000 1.116 71 M CB -0.477 31.471 32.600 -1.086 0.000 1.348 71 M HN -0.065 nan 8.290 nan 0.000 0.407 72 R N -0.099 120.137 120.500 -0.440 0.000 2.096 72 R HA -0.126 4.219 4.340 0.008 0.000 0.235 72 R C 1.830 178.017 176.300 -0.188 0.000 1.127 72 R CA 1.191 57.142 56.100 -0.249 0.000 0.968 72 R CB -0.263 29.924 30.300 -0.189 0.000 0.861 72 R HN 0.490 nan 8.270 nan 0.000 0.440 73 E N -0.587 119.473 120.200 -0.233 0.000 2.427 73 E HA -0.062 4.292 4.350 0.008 0.000 0.196 73 E C 0.835 177.374 176.600 -0.102 0.000 1.028 73 E CA 0.486 56.808 56.400 -0.130 0.000 0.864 73 E CB 0.324 29.971 29.700 -0.087 0.000 0.813 73 E HN 0.353 nan 8.360 nan 0.000 0.514 74 C N 1.192 120.395 119.300 -0.162 0.000 3.104 74 C HA 0.184 4.649 4.460 0.008 0.000 0.284 74 C C 0.143 175.140 174.990 0.012 0.000 1.326 74 C CA -0.807 58.179 59.018 -0.052 0.000 1.725 74 C CB -0.982 26.716 27.740 -0.070 0.000 2.156 74 C HN 0.354 nan 8.230 nan 0.000 0.638 75 N N 1.638 120.315 118.700 -0.039 0.000 2.699 75 N HA -0.175 4.570 4.740 0.008 0.000 0.256 75 N C -0.024 175.516 175.510 0.049 0.000 0.993 75 N CA 1.169 54.219 53.050 -0.001 0.000 0.759 75 N CB -0.850 37.663 38.487 0.044 0.000 0.906 75 N HN 0.742 nan 8.380 nan 0.000 0.541 76 A N -0.565 122.248 122.820 -0.011 0.000 2.302 76 A HA 0.691 5.016 4.320 0.008 0.000 0.285 76 A C 0.665 178.238 177.584 -0.019 0.000 1.105 76 A CA -0.083 52.007 52.037 0.090 0.000 0.816 76 A CB 1.334 20.378 19.000 0.072 0.000 1.067 76 A HN 0.304 nan 8.150 nan 0.000 0.489 77 S N -0.906 114.834 115.700 0.067 0.000 2.759 77 S HA 0.754 5.229 4.470 0.008 0.000 0.310 77 S C -1.307 173.175 174.600 -0.197 0.000 1.123 77 S CA -0.430 57.745 58.200 -0.040 0.000 0.959 77 S CB 0.479 63.769 63.200 0.151 0.000 1.172 77 S HN 0.459 nan 8.310 nan 0.000 0.539 78 Y N 1.355 121.650 120.300 -0.009 0.000 2.361 78 Y HA 0.544 5.099 4.550 0.008 0.000 0.332 78 Y C 0.358 176.068 175.900 -0.316 0.000 1.101 78 Y CA -0.528 57.439 58.100 -0.222 0.000 1.137 78 Y CB 1.160 39.401 38.460 -0.364 0.000 1.207 78 Y HN 0.486 nan 8.280 nan 0.000 0.463 79 K N 1.818 122.082 120.400 -0.227 0.000 2.413 79 K HA 0.533 4.858 4.320 0.008 0.000 0.257 79 K C -0.975 175.669 176.600 0.073 0.000 0.946 79 K CA -0.350 55.782 56.287 -0.258 0.000 0.823 79 K CB 1.391 33.602 32.500 -0.482 0.000 1.109 79 K HN 0.645 nan 8.250 nan 0.000 0.427 80 V N 2.114 122.066 119.914 0.064 0.000 3.523 80 V HA 0.323 4.448 4.120 0.008 0.000 0.255 80 V C 0.266 176.242 176.094 -0.196 0.000 1.226 80 V CA 0.828 63.164 62.300 0.060 0.000 1.092 80 V CB 0.479 32.299 31.823 -0.005 0.000 0.817 80 V HN 0.863 nan 8.190 nan 0.000 0.458 81 A N -0.595 122.096 122.820 -0.215 0.000 2.511 81 A HA 0.722 5.047 4.320 0.008 0.000 0.293 81 A C -1.735 175.749 177.584 -0.166 0.000 1.098 81 A CA -0.490 51.309 52.037 -0.397 0.000 0.643 81 A CB 0.916 19.747 19.000 -0.281 0.000 1.302 81 A HN 0.033 nan 8.150 nan 0.000 0.446 82 I N 0.942 121.384 120.570 -0.213 0.000 2.404 82 I HA 0.404 4.579 4.170 0.008 0.000 0.293 82 I C -0.057 175.867 176.117 -0.322 0.000 0.992 82 I CA -0.448 60.705 61.300 -0.246 0.000 1.149 82 I CB 1.898 39.651 38.000 -0.411 0.000 1.315 82 I HN 0.634 nan 8.210 nan 0.000 0.446 83 K N 6.908 127.080 120.400 -0.380 0.000 2.316 83 K HA 0.435 4.760 4.320 0.008 0.000 0.267 83 K C -1.407 174.813 176.600 -0.634 0.000 1.025 83 K CA -0.477 55.458 56.287 -0.586 0.000 0.896 83 K CB 0.724 32.763 32.500 -0.770 0.000 1.124 83 K HN 0.308 nan 8.250 nan 0.000 0.451 84 F N 5.752 125.301 119.950 -0.668 0.000 2.390 84 F HA 0.341 4.873 4.527 0.008 0.000 0.361 84 F C 0.263 175.883 175.800 -0.299 0.000 1.124 84 F CA -0.479 57.110 58.000 -0.686 0.000 1.149 84 F CB 0.618 38.583 39.000 -1.725 0.000 1.160 84 F HN 0.257 nan 8.300 nan 0.000 0.501 85 I N 4.399 125.130 120.570 0.269 0.000 2.378 85 I HA 0.246 4.421 4.170 0.008 0.000 0.291 85 I C -0.163 176.126 176.117 0.287 0.000 0.992 85 I CA -0.742 60.699 61.300 0.235 0.000 1.154 85 I CB 1.223 39.295 38.000 0.120 0.000 1.315 85 I HN 0.585 nan 8.210 nan 0.000 0.448 86 N N 3.960 122.775 118.700 0.193 0.000 2.776 86 N HA -0.218 4.527 4.740 0.008 0.000 0.249 86 N C 0.005 175.494 175.510 -0.035 0.000 1.111 86 N CA 0.885 53.969 53.050 0.056 0.000 0.711 86 N CB -1.146 37.322 38.487 -0.032 0.000 1.065 86 N HN 0.716 nan 8.380 nan 0.000 0.556 87 W N 0.237 121.532 121.300 -0.009 0.000 2.905 87 W HA 0.163 4.828 4.660 0.009 0.000 0.251 87 W C 1.865 178.281 176.519 -0.172 0.000 1.305 87 W CA 0.304 57.599 57.345 -0.083 0.000 1.465 87 W CB 0.179 29.689 29.460 0.083 0.000 1.122 87 W HN 0.100 nan 8.180 nan 0.000 0.659 88 R N -0.641 119.914 120.500 0.092 0.000 2.437 88 R HA 0.145 4.490 4.340 0.008 0.000 0.257 88 R C 0.259 176.520 176.300 -0.065 0.000 0.927 88 R CA 0.397 56.500 56.100 0.006 0.000 1.078 88 R CB 0.324 30.663 30.300 0.065 0.000 1.161 88 R HN -0.099 nan 8.270 nan 0.000 0.529 89 T N -2.124 112.369 114.554 -0.101 0.000 2.893 89 T HA 0.725 5.080 4.350 0.008 0.000 0.291 89 T C -0.069 174.541 174.700 -0.150 0.000 1.028 89 T CA -0.982 61.058 62.100 -0.099 0.000 0.995 89 T CB 2.284 71.121 68.868 -0.052 0.000 1.051 89 T HN 0.058 nan 8.240 nan 0.000 0.470 90 A N 1.241 123.992 122.820 -0.115 0.000 2.386 90 A HA 0.877 5.202 4.320 0.008 0.000 0.248 90 A C 0.942 178.483 177.584 -0.071 0.000 1.082 90 A CA 0.308 52.284 52.037 -0.102 0.000 0.789 90 A CB -0.418 18.547 19.000 -0.058 0.000 1.025 90 A HN 2.167 nan 8.150 nan 0.000 0.490 91 G N 0.175 108.946 108.800 -0.048 0.000 2.359 91 G HA2 0.332 4.297 3.960 0.008 0.000 0.314 91 G HA3 0.332 4.297 3.960 0.008 0.000 0.314 91 G C -0.935 173.949 174.900 -0.026 0.000 1.364 91 G CA -0.818 44.262 45.100 -0.035 0.000 0.978 91 G HN 0.729 nan 8.290 nan 0.000 0.615 92 E N -0.574 119.604 120.200 -0.037 0.000 2.416 92 E HA 0.427 4.782 4.350 0.008 0.000 0.254 92 E C 1.021 177.565 176.600 -0.093 0.000 1.241 92 E CA 0.447 56.815 56.400 -0.053 0.000 0.969 92 E CB 0.502 30.164 29.700 -0.065 0.000 0.999 92 E HN 0.969 nan 8.360 nan 0.000 0.481 93 G N 0.372 109.086 108.800 -0.143 0.000 2.365 93 G HA2 0.286 4.251 3.960 0.008 0.000 0.293 93 G HA3 0.286 4.251 3.960 0.008 0.000 0.293 93 G C -0.190 174.545 174.900 -0.275 0.000 1.128 93 G CA 0.043 45.009 45.100 -0.223 0.000 0.971 93 G HN 0.229 nan 8.290 nan 0.000 0.422 94 T N -0.115 114.288 114.554 -0.251 0.000 2.896 94 T HA 0.450 4.805 4.350 0.008 0.000 0.297 94 T C 1.480 175.997 174.700 -0.306 0.000 1.108 94 T CA 0.145 62.072 62.100 -0.288 0.000 1.004 94 T CB 1.522 70.286 68.868 -0.174 0.000 1.159 94 T HN 0.573 nan 8.240 nan 0.000 0.499 95 S N 1.607 117.074 115.700 -0.389 0.000 2.527 95 S HA 0.156 4.631 4.470 0.008 0.000 0.222 95 S C 0.308 174.840 174.600 -0.112 0.000 0.985 95 S CA -0.013 57.993 58.200 -0.323 0.000 0.921 95 S CB -0.072 62.857 63.200 -0.452 0.000 0.772 95 S HN 0.675 nan 8.310 nan 0.000 0.529 96 E N 2.118 122.266 120.200 -0.087 0.000 2.200 96 E HA 0.586 4.941 4.350 0.008 0.000 0.283 96 E C -0.322 176.273 176.600 -0.008 0.000 1.015 96 E CA -0.320 56.068 56.400 -0.021 0.000 0.819 96 E CB 1.428 31.122 29.700 -0.010 0.000 1.081 96 E HN 0.382 nan 8.360 nan 0.000 0.397 97 A N 4.500 127.337 122.820 0.029 0.000 2.488 97 A HA 0.161 4.486 4.320 0.008 0.000 0.249 97 A C 0.544 178.147 177.584 0.031 0.000 1.083 97 A CA -0.072 51.994 52.037 0.049 0.000 0.768 97 A CB 0.239 19.305 19.000 0.110 0.000 1.017 97 A HN 0.498 nan 8.150 nan 0.000 0.496 98 R N 0.466 120.976 120.500 0.016 0.000 2.583 98 R HA 0.315 4.659 4.340 0.008 0.000 0.268 98 R C 0.197 176.502 176.300 0.007 0.000 1.101 98 R CA -0.346 55.755 56.100 0.003 0.000 1.180 98 R CB 0.492 30.784 30.300 -0.013 0.000 1.128 98 R HN 0.890 nan 8.270 nan 0.000 0.568 99 E N 1.463 121.662 120.200 -0.001 0.000 2.301 99 E HA 0.281 4.636 4.350 0.008 0.000 0.275 99 E C -1.183 175.410 176.600 -0.012 0.000 1.030 99 E CA -0.348 56.048 56.400 -0.006 0.000 0.852 99 E CB 0.841 30.537 29.700 -0.007 0.000 1.060 99 E HN 0.346 nan 8.360 nan 0.000 0.401 100 L N 3.901 125.113 121.223 -0.018 0.000 2.528 100 L HA 0.277 4.622 4.340 0.008 0.000 0.267 100 L C -1.196 175.660 176.870 -0.024 0.000 0.961 100 L CA -0.575 54.255 54.840 -0.017 0.000 0.866 100 L CB 1.489 43.543 42.059 -0.008 0.000 1.248 100 L HN 0.787 nan 8.230 nan 0.000 0.404 101 D N 4.334 124.722 120.400 -0.020 0.000 2.686 101 D HA -0.200 4.444 4.640 0.008 0.000 0.235 101 D C 1.077 177.359 176.300 -0.029 0.000 1.160 101 D CA 1.532 55.519 54.000 -0.021 0.000 0.645 101 D CB -0.788 40.003 40.800 -0.015 0.000 1.039 101 D HN 1.152 nan 8.370 nan 0.000 0.423 102 G N -1.781 107.001 108.800 -0.029 0.000 2.176 102 G HA2 -0.067 3.898 3.960 0.008 0.000 0.253 102 G HA3 -0.067 3.898 3.960 0.008 0.000 0.253 102 G C 0.553 175.428 174.900 -0.042 0.000 0.979 102 G CA 0.439 45.520 45.100 -0.032 0.000 0.641 102 G HN 1.141 nan 8.290 nan 0.000 0.530 103 G N -0.824 107.945 108.800 -0.053 0.000 2.727 103 G HA2 0.819 4.783 3.960 0.008 0.000 0.289 103 G HA3 0.819 4.783 3.960 0.008 0.000 0.289 103 G C -3.128 171.733 174.900 -0.065 0.000 1.418 103 G CA -0.404 44.653 45.100 -0.071 0.000 0.818 103 G HN 0.263 nan 8.290 nan 0.000 0.486 104 P HA 0.163 nan 4.420 nan 0.000 0.271 104 P C -0.927 176.320 177.300 -0.088 0.000 1.218 104 P CA -0.067 63.024 63.100 -0.016 0.000 0.780 104 P CB 1.396 33.168 31.700 0.119 0.000 0.901 105 D N 3.010 123.412 120.400 0.003 0.000 2.498 105 D HA 0.043 4.688 4.640 0.008 0.000 0.229 105 D C -0.125 176.239 176.300 0.107 0.000 1.188 105 D CA 0.197 54.218 54.000 0.034 0.000 1.028 105 D CB -0.759 40.074 40.800 0.056 0.000 1.087 105 D HN 0.458 nan 8.370 nan 0.000 0.510 106 H N 0.371 119.478 119.070 0.062 0.000 3.037 106 H HA 0.561 5.122 4.556 0.008 0.000 0.355 106 H C -1.429 173.925 175.328 0.043 0.000 1.263 106 H CA -1.095 54.921 56.048 -0.054 0.000 1.129 106 H CB 0.850 30.480 29.762 -0.220 0.000 1.861 106 H HN 0.116 nan 8.280 nan 0.000 0.546 107 F N -0.512 119.468 119.950 0.049 0.000 2.654 107 F HA 0.600 5.132 4.527 0.008 0.000 0.308 107 F C -2.368 173.382 175.800 -0.084 0.000 1.108 107 F CA -1.246 56.760 58.000 0.011 0.000 0.957 107 F CB 1.010 40.013 39.000 0.005 0.000 1.309 107 F HN 0.404 nan 8.300 nan 0.000 0.446 108 Y N 0.884 121.302 120.300 0.196 0.000 2.420 108 Y HA 0.435 4.991 4.550 0.009 0.000 0.334 108 Y C -0.279 175.673 175.900 0.087 0.000 1.094 108 Y CA -0.691 57.404 58.100 -0.009 0.000 1.126 108 Y CB 1.407 39.729 38.460 -0.230 0.000 1.217 108 Y HN 0.854 nan 8.280 nan 0.000 0.462 109 H N 1.937 121.078 119.070 0.120 0.000 2.736 109 H HA 0.438 4.999 4.556 0.008 0.000 0.271 109 H C -0.790 174.412 175.328 -0.210 0.000 1.184 109 H CA -0.613 55.447 56.048 0.020 0.000 1.378 109 H CB 0.475 30.375 29.762 0.230 0.000 1.428 109 H HN 0.777 nan 8.280 nan 0.000 0.500 110 S N 2.567 118.099 115.700 -0.281 0.000 2.738 110 S HA 0.204 4.679 4.470 0.008 0.000 0.284 110 S C 0.452 174.837 174.600 -0.358 0.000 1.146 110 S CA -0.761 57.154 58.200 -0.475 0.000 0.997 110 S CB 0.691 63.645 63.200 -0.411 0.000 1.081 110 S HN 0.415 nan 8.310 nan 0.000 0.553 111 F N 0.988 120.914 119.950 -0.040 0.000 2.789 111 F HA 0.324 4.856 4.527 0.008 0.000 0.300 111 F C 1.922 177.843 175.800 0.202 0.000 1.132 111 F CA -0.312 57.729 58.000 0.069 0.000 1.404 111 F CB -1.074 37.882 39.000 -0.073 0.000 1.114 111 F HN 0.796 nan 8.300 nan 0.000 0.584 112 G N 2.011 111.008 108.800 0.328 0.000 2.647 112 G HA2 0.267 4.232 3.960 0.008 0.000 0.234 112 G HA3 0.267 4.232 3.960 0.008 0.000 0.234 112 G C -0.073 175.058 174.900 0.385 0.000 1.252 112 G CA -0.493 44.833 45.100 0.376 0.000 0.846 112 G HN 0.184 nan 8.290 nan 0.000 0.589 113 L N 0.330 121.654 121.223 0.170 0.000 2.307 113 L HA 0.498 4.843 4.340 0.008 0.000 0.284 113 L C 0.074 176.868 176.870 -0.127 0.000 1.023 113 L CA -0.938 53.921 54.840 0.032 0.000 0.810 113 L CB 1.415 43.472 42.059 -0.004 0.000 1.231 113 L HN 0.320 nan 8.230 nan 0.000 0.423 114 L N 3.919 125.036 121.223 -0.177 0.000 2.433 114 L HA 0.156 4.501 4.340 0.008 0.000 0.275 114 L C 0.833 177.556 176.870 -0.246 0.000 1.128 114 L CA 0.040 54.697 54.840 -0.305 0.000 0.875 114 L CB 0.557 42.477 42.059 -0.232 0.000 1.171 114 L HN 0.622 nan 8.230 nan 0.000 0.463 115 K N 4.056 124.315 120.400 -0.236 0.000 2.401 115 K HA 0.061 4.385 4.320 0.008 0.000 0.278 115 K C -0.791 175.748 176.600 -0.103 0.000 1.018 115 K CA 0.194 56.405 56.287 -0.126 0.000 0.981 115 K CB 0.401 32.807 32.500 -0.157 0.000 0.933 115 K HN 0.232 nan 8.250 nan 0.000 0.477 116 Y N 1.748 122.023 120.300 -0.042 0.000 2.320 116 Y HA 0.165 4.720 4.550 0.008 0.000 0.324 116 Y C 0.610 176.549 175.900 0.064 0.000 1.190 116 Y CA 0.075 58.180 58.100 0.007 0.000 1.215 116 Y CB 0.996 39.448 38.460 -0.013 0.000 1.221 116 Y HN 0.484 nan 8.280 nan 0.000 0.486 117 H N 3.772 122.950 119.070 0.180 0.000 3.013 117 H HA 0.165 4.725 4.556 0.007 0.000 0.326 117 H C -0.725 174.708 175.328 0.174 0.000 0.973 117 H CA -0.543 55.537 56.048 0.054 0.000 1.369 117 H CB 0.889 30.507 29.762 -0.239 0.000 1.598 117 H HN 0.769 nan 8.280 nan 0.000 0.518 118 E N 4.663 124.711 120.200 -0.254 0.000 2.389 118 E HA -0.232 4.123 4.350 0.008 0.000 0.243 118 E C 0.180 176.787 176.600 0.011 0.000 1.154 118 E CA 1.025 57.322 56.400 -0.171 0.000 0.723 118 E CB -0.972 28.579 29.700 -0.249 0.000 1.261 118 E HN 0.868 nan 8.360 nan 0.000 0.390 119 Q N -3.110 116.728 119.800 0.064 0.000 2.424 119 Q HA -0.211 4.134 4.340 0.008 0.000 0.234 119 Q C 0.262 176.412 176.000 0.251 0.000 0.748 119 Q CA 1.567 57.424 55.803 0.091 0.000 1.286 119 Q CB -1.625 27.113 28.738 0.001 0.000 1.494 119 Q HN 0.623 nan 8.270 nan 0.000 0.683 120 I N 0.964 121.702 120.570 0.281 0.000 2.498 120 I HA 0.314 4.488 4.170 0.008 0.000 0.290 120 I C -2.289 173.816 176.117 -0.019 0.000 1.032 120 I CA -2.330 59.010 61.300 0.067 0.000 1.073 120 I CB 2.236 40.178 38.000 -0.096 0.000 1.251 120 I HN -0.288 nan 8.210 nan 0.000 0.426 121 P HA -0.038 nan 4.420 nan 0.000 0.264 121 P C 0.630 177.872 177.300 -0.097 0.000 1.183 121 P CA -0.202 62.604 63.100 -0.490 0.000 0.763 121 P CB 0.622 32.004 31.700 -0.532 0.000 0.807 122 L N 4.254 125.458 121.223 -0.031 0.000 2.189 122 L HA -0.246 4.099 4.340 0.008 0.000 0.214 122 L C 2.084 179.137 176.870 0.306 0.000 1.097 122 L CA 2.298 57.212 54.840 0.123 0.000 0.764 122 L CB -1.358 40.607 42.059 -0.157 0.000 0.900 122 L HN 0.409 nan 8.230 nan 0.000 0.436 123 S N -1.980 113.826 115.700 0.176 0.000 2.383 123 S HA -0.270 4.205 4.470 0.008 0.000 0.229 123 S C 1.910 176.643 174.600 0.222 0.000 1.030 123 S CA 1.433 59.706 58.200 0.122 0.000 1.002 123 S CB -0.887 61.845 63.200 -0.780 0.000 0.829 123 S HN 0.596 nan 8.310 nan 0.000 0.467 124 H N 0.270 119.300 119.070 -0.067 0.000 2.389 124 H HA 0.126 4.687 4.556 0.009 0.000 0.299 124 H C 1.710 177.053 175.328 0.025 0.000 1.081 124 H CA 1.439 57.458 56.048 -0.049 0.000 1.345 124 H CB -0.725 28.903 29.762 -0.224 0.000 1.393 124 H HN 0.526 nan 8.280 nan 0.000 0.520 125 Y N -1.412 119.097 120.300 0.349 0.000 2.314 125 Y HA -0.176 4.379 4.550 0.008 0.000 0.293 125 Y C 2.327 178.463 175.900 0.393 0.000 1.129 125 Y CA 0.871 59.173 58.100 0.336 0.000 1.201 125 Y CB -0.561 38.109 38.460 0.349 0.000 0.999 125 Y HN 0.305 nan 8.280 nan 0.000 0.541 126 W N -0.098 121.532 121.300 0.550 0.000 2.378 126 W HA -0.268 4.397 4.660 0.008 0.000 0.313 126 W C 2.121 178.787 176.519 0.246 0.000 1.197 126 W CA 1.545 59.123 57.345 0.389 0.000 1.304 126 W CB -0.957 28.805 29.460 0.504 0.000 1.148 126 W HN 0.073 nan 8.180 nan 0.000 0.494 127 F N 1.982 121.849 119.950 -0.139 0.000 2.171 127 F HA -0.150 4.382 4.527 0.008 0.000 0.300 127 F C 2.122 177.715 175.800 -0.345 0.000 1.090 127 F CA 2.385 60.053 58.000 -0.552 0.000 1.293 127 F CB -1.096 37.813 39.000 -0.152 0.000 1.013 127 F HN 0.003 nan 8.300 nan 0.000 0.486 128 D N -0.077 120.144 120.400 -0.298 0.000 2.104 128 D HA -0.209 4.436 4.640 0.008 0.000 0.194 128 D C 2.242 178.355 176.300 -0.312 0.000 0.994 128 D CA 1.677 55.493 54.000 -0.308 0.000 0.830 128 D CB -0.121 40.629 40.800 -0.083 0.000 0.959 128 D HN 0.266 nan 8.370 nan 0.000 0.452 129 R N 0.027 120.365 120.500 -0.270 0.000 2.092 129 R HA -0.029 4.316 4.340 0.008 0.000 0.231 129 R C 2.523 178.599 176.300 -0.373 0.000 1.119 129 R CA 1.098 57.038 56.100 -0.266 0.000 0.970 129 R CB -0.685 29.469 30.300 -0.243 0.000 0.864 129 R HN 0.150 nan 8.270 nan 0.000 0.440 130 S N 0.589 115.933 115.700 -0.593 0.000 2.355 130 S HA -0.188 4.286 4.470 0.008 0.000 0.222 130 S C 1.863 176.176 174.600 -0.477 0.000 1.031 130 S CA 0.920 58.773 58.200 -0.579 0.000 0.993 130 S CB -0.299 62.359 63.200 -0.903 0.000 0.859 130 S HN 0.435 nan 8.310 nan 0.000 0.453 131 Y N 1.940 121.751 120.300 -0.815 0.000 2.224 131 Y HA 0.031 4.585 4.550 0.008 0.000 0.289 131 Y C 2.084 177.741 175.900 -0.405 0.000 1.146 131 Y CA 1.629 59.307 58.100 -0.703 0.000 1.182 131 Y CB -0.070 37.741 38.460 -1.083 0.000 0.983 131 Y HN 0.205 nan 8.280 nan 0.000 0.524 132 R N -0.232 120.139 120.500 -0.216 0.000 2.320 132 R HA 0.169 4.514 4.340 0.008 0.000 0.211 132 R C 1.296 177.476 176.300 -0.200 0.000 0.931 132 R CA 0.565 56.562 56.100 -0.172 0.000 1.071 132 R CB -0.191 30.055 30.300 -0.090 0.000 1.025 132 R HN 0.512 nan 8.270 nan 0.000 0.495 133 G N 1.652 110.310 108.800 -0.238 0.000 2.160 133 G HA2 -0.288 3.677 3.960 0.008 0.000 0.251 133 G HA3 -0.288 3.677 3.960 0.008 0.000 0.251 133 G C 0.829 175.639 174.900 -0.150 0.000 1.008 133 G CA 0.264 45.251 45.100 -0.189 0.000 0.724 133 G HN 0.185 nan 8.290 nan 0.000 0.514 134 K N -0.518 119.786 120.400 -0.161 0.000 2.418 134 K HA 0.165 4.490 4.320 0.008 0.000 0.195 134 K C 1.068 177.586 176.600 -0.137 0.000 1.035 134 K CA 1.156 57.363 56.287 -0.133 0.000 1.003 134 K CB 0.384 32.806 32.500 -0.129 0.000 0.793 134 K HN 0.509 nan 8.250 nan 0.000 0.494 135 T N -1.305 113.153 114.554 -0.159 0.000 2.853 135 T HA 0.383 4.738 4.350 0.008 0.000 0.311 135 T C -0.552 174.094 174.700 -0.089 0.000 1.307 135 T CA -0.512 61.514 62.100 -0.123 0.000 1.019 135 T CB 1.881 70.659 68.868 -0.149 0.000 1.264 135 T HN -0.266 nan 8.240 nan 0.000 0.497 136 V N 1.913 121.814 119.914 -0.021 0.000 3.382 136 V HA 0.373 4.498 4.120 0.008 0.000 0.296 136 V C 0.594 176.746 176.094 0.097 0.000 1.529 136 V CA -0.136 62.174 62.300 0.017 0.000 1.048 136 V CB 0.386 32.202 31.823 -0.012 0.000 0.878 136 V HN 0.858 nan 8.190 nan 0.000 0.442 137 E N 2.085 122.364 120.200 0.132 0.000 2.384 137 E HA 0.150 4.505 4.350 0.008 0.000 0.266 137 E C -2.337 174.491 176.600 0.381 0.000 1.012 137 E CA -1.522 54.992 56.400 0.189 0.000 0.901 137 E CB 1.009 30.806 29.700 0.162 0.000 0.967 137 E HN 0.256 nan 8.360 nan 0.000 0.435 138 P HA -0.043 nan 4.420 nan 0.000 0.269 138 P C -0.049 177.335 177.300 0.140 0.000 1.215 138 P CA -0.123 63.160 63.100 0.304 0.000 0.780 138 P CB 0.330 32.177 31.700 0.245 0.000 0.898 139 F N 3.290 122.984 119.950 -0.425 0.000 2.065 139 F HA -0.292 4.240 4.527 0.008 0.000 0.298 139 F C 1.746 177.325 175.800 -0.368 0.000 1.112 139 F CA 2.457 59.756 58.000 -1.168 0.000 1.212 139 F CB -0.649 37.571 39.000 -1.300 0.000 0.975 139 F HN 0.340 nan 8.300 nan 0.000 0.476 140 D N -0.825 119.349 120.400 -0.377 0.000 2.117 140 D HA -0.279 4.366 4.640 0.008 0.000 0.197 140 D C 2.081 178.259 176.300 -0.203 0.000 0.987 140 D CA 1.803 55.603 54.000 -0.333 0.000 0.829 140 D CB -1.555 39.181 40.800 -0.108 0.000 0.961 140 D HN 0.448 nan 8.370 nan 0.000 0.460 141 Y N 1.182 121.454 120.300 -0.046 0.000 2.314 141 Y HA 0.130 4.686 4.550 0.009 0.000 0.293 141 Y C 2.856 178.761 175.900 0.009 0.000 1.129 141 Y CA 1.080 59.190 58.100 0.017 0.000 1.201 141 Y CB -0.345 38.149 38.460 0.057 0.000 0.999 141 Y HN 0.105 nan 8.280 nan 0.000 0.541 142 A N -1.663 121.223 122.820 0.109 0.000 1.930 142 A HA -0.109 4.216 4.320 0.008 0.000 0.215 142 A C 1.962 179.648 177.584 0.170 0.000 1.176 142 A CA 1.562 53.696 52.037 0.160 0.000 0.632 142 A CB -1.019 18.117 19.000 0.227 0.000 0.819 142 A HN 0.519 nan 8.150 nan 0.000 0.445 143 C N -2.477 116.752 119.300 -0.119 0.000 2.865 143 C HA 0.395 4.859 4.460 0.008 0.000 0.280 143 C C 0.100 174.833 174.990 -0.428 0.000 1.255 143 C CA -0.572 58.280 59.018 -0.277 0.000 1.705 143 C CB -1.279 26.127 27.740 -0.558 0.000 2.080 143 C HN 0.503 nan 8.230 nan 0.000 0.591 144 Y N 1.133 121.267 120.300 -0.277 0.000 2.485 144 Y HA 0.325 4.880 4.550 0.008 0.000 0.345 144 Y C 1.240 177.030 175.900 -0.183 0.000 0.998 144 Y CA -0.928 57.037 58.100 -0.224 0.000 1.059 144 Y CB 1.046 39.347 38.460 -0.264 0.000 1.234 144 Y HN 0.037 nan 8.280 nan 0.000 0.461 145 K N -0.511 119.896 120.400 0.012 0.000 2.361 145 K HA 0.029 4.354 4.320 0.008 0.000 0.196 145 K C 0.505 177.055 176.600 -0.083 0.000 1.039 145 K CA 1.057 57.326 56.287 -0.030 0.000 1.001 145 K CB 0.229 32.714 32.500 -0.024 0.000 0.795 145 K HN 0.539 nan 8.250 nan 0.000 0.495 146 E N 1.983 122.118 120.200 -0.109 0.000 2.058 146 E HA -0.096 4.259 4.350 0.008 0.000 0.194 146 E C -0.973 175.367 176.600 -0.434 0.000 0.997 146 E CA 1.367 57.624 56.400 -0.237 0.000 0.801 146 E CB -1.301 28.242 29.700 -0.263 0.000 0.746 146 E HN 0.294 nan 8.360 nan 0.000 0.450 147 P HA -0.218 nan 4.420 nan 0.000 0.217 147 P C 1.342 178.416 177.300 -0.376 0.000 1.158 147 P CA 1.249 63.846 63.100 -0.837 0.000 0.887 147 P CB 0.039 31.036 31.700 -1.173 0.000 0.792 148 V N 0.299 120.119 119.914 -0.156 0.000 2.295 148 V HA -0.229 3.896 4.120 0.008 0.000 0.246 148 V C 2.395 178.494 176.094 0.009 0.000 1.049 148 V CA 2.082 64.419 62.300 0.063 0.000 1.024 148 V CB -1.411 30.468 31.823 0.093 0.000 0.648 148 V HN 0.136 nan 8.190 nan 0.000 0.447 149 I N -2.097 118.437 120.570 -0.061 0.000 2.546 149 I HA -0.133 4.042 4.170 0.008 0.000 0.255 149 I C 2.172 178.262 176.117 -0.046 0.000 1.163 149 I CA 1.542 62.815 61.300 -0.045 0.000 1.457 149 I CB -0.467 37.495 38.000 -0.062 0.000 1.092 149 I HN 0.183 nan 8.210 nan 0.000 0.434 150 L N 1.025 122.161 121.223 -0.145 0.000 2.156 150 L HA -0.083 4.262 4.340 0.008 0.000 0.208 150 L C 1.992 178.913 176.870 0.085 0.000 1.095 150 L CA 0.955 55.738 54.840 -0.095 0.000 0.770 150 L CB -0.713 41.031 42.059 -0.524 0.000 0.914 150 L HN 0.199 nan 8.230 nan 0.000 0.439 151 D N 0.504 120.948 120.400 0.073 0.000 2.309 151 D HA -0.104 4.541 4.640 0.008 0.000 0.212 151 D C 1.683 178.081 176.300 0.162 0.000 0.968 151 D CA 1.185 55.292 54.000 0.179 0.000 0.882 151 D CB 0.207 41.154 40.800 0.245 0.000 0.918 151 D HN 0.307 nan 8.370 nan 0.000 0.503 152 A N -0.177 122.717 122.820 0.123 0.000 2.465 152 A HA 0.145 4.470 4.320 0.008 0.000 0.255 152 A C 0.450 178.096 177.584 0.104 0.000 1.274 152 A CA -0.279 51.821 52.037 0.104 0.000 0.920 152 A CB -0.605 18.439 19.000 0.074 0.000 1.033 152 A HN 0.214 nan 8.150 nan 0.000 0.516 153 N N 0.128 118.915 118.700 0.144 0.000 2.721 153 N HA -0.148 4.597 4.740 0.008 0.000 0.249 153 N C -0.353 175.197 175.510 0.067 0.000 1.072 153 N CA 0.050 53.175 53.050 0.125 0.000 0.710 153 N CB -0.523 38.025 38.487 0.100 0.000 0.993 153 N HN 0.379 nan 8.380 nan 0.000 0.547 154 R N 0.735 121.258 120.500 0.038 0.000 2.679 154 R HA 0.218 4.563 4.340 0.008 0.000 0.269 154 R C 0.799 177.061 176.300 -0.062 0.000 1.076 154 R CA -0.063 56.031 56.100 -0.009 0.000 1.160 154 R CB 0.796 31.078 30.300 -0.030 0.000 1.054 154 R HN 0.162 nan 8.270 nan 0.000 0.507 155 S N 1.963 117.594 115.700 -0.116 0.000 2.584 155 S HA 0.239 4.714 4.470 0.008 0.000 0.273 155 S C -1.424 172.952 174.600 -0.374 0.000 1.311 155 S CA -1.396 56.644 58.200 -0.267 0.000 1.034 155 S CB 0.801 63.816 63.200 -0.309 0.000 0.939 155 S HN 0.402 nan 8.310 nan 0.000 0.513 156 P HA 0.107 nan 4.420 nan 0.000 0.241 156 P C -0.360 176.616 177.300 -0.540 0.000 1.191 156 P CA 0.347 63.155 63.100 -0.487 0.000 0.771 156 P CB 0.184 31.528 31.700 -0.594 0.000 0.929 157 R N -0.171 119.852 120.500 -0.796 0.000 2.686 157 R HA 0.460 4.805 4.340 0.008 0.000 0.283 157 R C 0.219 176.185 176.300 -0.558 0.000 0.978 157 R CA -0.853 54.818 56.100 -0.715 0.000 0.897 157 R CB 2.252 31.936 30.300 -1.027 0.000 1.192 157 R HN -0.058 nan 8.270 nan 0.000 0.457 158 R N 1.320 121.671 120.500 -0.249 0.000 2.707 158 R HA 0.156 4.501 4.340 0.008 0.000 0.270 158 R C 1.334 177.667 176.300 0.056 0.000 1.083 158 R CA -0.368 55.679 56.100 -0.088 0.000 1.182 158 R CB 0.493 30.769 30.300 -0.041 0.000 1.084 158 R HN 0.505 nan 8.270 nan 0.000 0.528 159 L N 1.110 122.404 121.223 0.117 0.000 2.187 159 L HA -0.224 4.121 4.340 0.008 0.000 0.213 159 L C 1.583 178.535 176.870 0.137 0.000 1.100 159 L CA 1.362 56.309 54.840 0.179 0.000 0.765 159 L CB -0.601 41.510 42.059 0.087 0.000 0.904 159 L HN 0.758 nan 8.230 nan 0.000 0.437 160 D N -0.677 119.773 120.400 0.084 0.000 2.363 160 D HA -0.010 4.635 4.640 0.008 0.000 0.226 160 D C 1.502 177.853 176.300 0.084 0.000 1.020 160 D CA 0.913 54.951 54.000 0.064 0.000 0.892 160 D CB 0.140 40.961 40.800 0.036 0.000 0.900 160 D HN 0.314 nan 8.370 nan 0.000 0.531 161 G N 0.035 108.913 108.800 0.130 0.000 2.234 161 G HA2 -0.284 3.681 3.960 0.008 0.000 0.235 161 G HA3 -0.284 3.681 3.960 0.008 0.000 0.235 161 G C 0.392 175.314 174.900 0.037 0.000 0.997 161 G CA 0.252 45.434 45.100 0.137 0.000 0.623 161 G HN 0.870 nan 8.290 nan 0.000 0.514 162 S N 0.577 116.283 115.700 0.011 0.000 2.525 162 S HA 0.427 4.901 4.470 0.008 0.000 0.285 162 S C 0.239 174.806 174.600 -0.055 0.000 1.283 162 S CA 0.530 58.725 58.200 -0.007 0.000 1.072 162 S CB 1.695 64.893 63.200 -0.003 0.000 0.867 162 S HN 0.717 nan 8.310 nan 0.000 0.492 163 K N 2.095 122.481 120.400 -0.024 0.000 2.276 163 K HA 0.322 4.647 4.320 0.008 0.000 0.283 163 K C 0.686 177.272 176.600 -0.024 0.000 1.044 163 K CA -0.495 55.775 56.287 -0.028 0.000 0.944 163 K CB 0.807 33.348 32.500 0.068 0.000 1.012 163 K HN 0.694 nan 8.250 nan 0.000 0.472 164 V N -0.060 119.822 119.914 -0.054 0.000 3.605 164 V HA 0.239 4.364 4.120 0.008 0.000 0.284 164 V C 0.259 176.346 176.094 -0.011 0.000 1.386 164 V CA 0.190 62.469 62.300 -0.036 0.000 1.053 164 V CB 0.504 32.289 31.823 -0.062 0.000 0.857 164 V HN 0.758 nan 8.190 nan 0.000 0.436 165 T N 0.542 115.103 114.554 0.012 0.000 2.840 165 T HA 0.387 4.742 4.350 0.008 0.000 0.317 165 T C -1.237 173.524 174.700 0.102 0.000 1.401 165 T CA -0.544 61.585 62.100 0.048 0.000 1.028 165 T CB 1.643 70.523 68.868 0.019 0.000 1.317 165 T HN 0.462 nan 8.240 nan 0.000 0.495 166 N N 1.609 120.364 118.700 0.090 0.000 2.518 166 N HA 0.552 5.297 4.740 0.008 0.000 0.266 166 N C -1.059 174.480 175.510 0.048 0.000 1.196 166 N CA -0.039 53.003 53.050 -0.013 0.000 0.947 166 N CB 0.435 38.940 38.487 0.031 0.000 1.098 166 N HN 0.598 nan 8.380 nan 0.000 0.450 167 Y N -1.054 119.099 120.300 -0.245 0.000 2.656 167 Y HA 0.800 5.354 4.550 0.007 0.000 0.334 167 Y C -1.149 174.307 175.900 -0.740 0.000 1.179 167 Y CA -1.290 56.651 58.100 -0.265 0.000 1.050 167 Y CB 0.558 38.869 38.460 -0.249 0.000 1.308 167 Y HN 0.489 nan 8.280 nan 0.000 0.456 168 A N 0.561 123.087 122.820 -0.490 0.000 3.042 168 A HA 0.880 5.205 4.320 0.008 0.000 0.229 168 A C -1.677 175.430 177.584 -0.794 0.000 1.185 168 A CA -0.872 50.601 52.037 -0.940 0.000 0.844 168 A CB 1.019 19.828 19.000 -0.319 0.000 1.403 168 A HN 0.787 nan 8.150 nan 0.000 0.555 169 W N -1.254 120.194 121.300 0.247 0.000 2.975 169 W HA 0.551 5.215 4.660 0.006 0.000 0.342 169 W C -1.077 175.485 176.519 0.072 0.000 1.168 169 W CA -0.219 57.261 57.345 0.226 0.000 1.141 169 W CB 1.000 30.824 29.460 0.606 0.000 1.445 169 W HN 0.741 nan 8.180 nan 0.000 0.560 170 H N 0.792 120.058 119.070 0.327 0.000 2.529 170 H HA 0.502 5.064 4.556 0.009 0.000 0.348 170 H C -0.781 174.667 175.328 0.201 0.000 1.079 170 H CA -0.516 55.581 56.048 0.083 0.000 1.198 170 H CB 2.007 31.818 29.762 0.082 0.000 1.521 170 H HN 0.250 nan 8.280 nan 0.000 0.514 171 F N -0.744 119.398 119.950 0.320 0.000 2.842 171 F HA 0.211 4.742 4.527 0.008 0.000 0.319 171 F C -1.763 174.133 175.800 0.159 0.000 1.159 171 F CA -1.410 56.730 58.000 0.233 0.000 0.902 171 F CB 0.714 39.891 39.000 0.294 0.000 1.311 171 F HN 0.271 nan 8.300 nan 0.000 0.453 172 D N 1.399 122.092 120.400 0.490 0.000 2.339 172 D HA 0.493 5.138 4.640 0.008 0.000 0.241 172 D C 1.112 177.648 176.300 0.395 0.000 1.183 172 D CA 0.513 54.692 54.000 0.297 0.000 0.859 172 D CB 1.772 42.702 40.800 0.217 0.000 1.067 172 D HN 0.902 nan 8.370 nan 0.000 0.484 173 A N 4.293 127.285 122.820 0.286 0.000 1.958 173 A HA -0.267 4.058 4.320 0.008 0.000 0.221 173 A C 1.708 179.419 177.584 0.212 0.000 1.178 173 A CA 1.722 53.941 52.037 0.303 0.000 0.642 173 A CB -0.944 18.136 19.000 0.132 0.000 0.816 173 A HN 0.867 nan 8.150 nan 0.000 0.453 174 H N -0.409 118.795 119.070 0.224 0.000 2.353 174 H HA -0.098 4.463 4.556 0.008 0.000 0.298 174 H C 1.918 177.339 175.328 0.156 0.000 1.103 174 H CA 1.376 57.528 56.048 0.172 0.000 1.293 174 H CB -0.218 29.633 29.762 0.147 0.000 1.372 174 H HN 0.418 nan 8.280 nan 0.000 0.501 175 L N -0.040 121.346 121.223 0.271 0.000 2.093 175 L HA -0.136 4.209 4.340 0.008 0.000 0.208 175 L C 2.357 179.327 176.870 0.166 0.000 1.085 175 L CA 0.550 55.505 54.840 0.193 0.000 0.755 175 L CB -0.269 41.886 42.059 0.161 0.000 0.904 175 L HN 0.175 nan 8.230 nan 0.000 0.435 176 V N 0.204 120.189 119.914 0.118 0.000 2.427 176 V HA -0.235 3.890 4.120 0.008 0.000 0.248 176 V C 2.792 179.013 176.094 0.212 0.000 1.051 176 V CA 1.663 64.009 62.300 0.076 0.000 1.048 176 V CB -0.790 30.927 31.823 -0.178 0.000 0.666 176 V HN 0.451 nan 8.190 nan 0.000 0.456 177 A N 0.117 123.063 122.820 0.209 0.000 1.883 177 A HA -0.261 4.064 4.320 0.008 0.000 0.217 177 A C 2.006 179.642 177.584 0.088 0.000 1.186 177 A CA 2.102 54.273 52.037 0.225 0.000 0.624 177 A CB -0.621 18.547 19.000 0.279 0.000 0.822 177 A HN 0.544 nan 8.150 nan 0.000 0.444 178 D N -1.131 119.322 120.400 0.087 0.000 2.117 178 D HA -0.128 4.517 4.640 0.008 0.000 0.197 178 D C 1.635 177.939 176.300 0.005 0.000 0.987 178 D CA 1.255 55.248 54.000 -0.012 0.000 0.829 178 D CB -0.496 40.337 40.800 0.056 0.000 0.961 178 D HN 0.474 nan 8.370 nan 0.000 0.460 179 F N 1.560 121.506 119.950 -0.007 0.000 2.095 179 F HA -0.153 4.379 4.527 0.008 0.000 0.298 179 F C 2.116 177.948 175.800 0.053 0.000 1.104 179 F CA 1.209 59.223 58.000 0.024 0.000 1.232 179 F CB -0.303 38.729 39.000 0.053 0.000 0.987 179 F HN -0.125 nan 8.300 nan 0.000 0.475 180 L N -0.100 121.178 121.223 0.092 0.000 2.056 180 L HA -0.153 4.191 4.340 0.008 0.000 0.207 180 L C 2.709 179.532 176.870 -0.079 0.000 1.078 180 L CA 1.454 56.352 54.840 0.097 0.000 0.749 180 L CB -0.767 41.490 42.059 0.329 0.000 0.901 180 L HN 0.100 nan 8.230 nan 0.000 0.433 181 R N 0.648 120.869 120.500 -0.465 0.000 2.083 181 R HA -0.183 4.162 4.340 0.008 0.000 0.237 181 R C 2.465 178.378 176.300 -0.646 0.000 1.137 181 R CA 1.587 56.949 56.100 -1.231 0.000 0.951 181 R CB -0.094 29.216 30.300 -1.649 0.000 0.851 181 R HN 0.291 nan 8.270 nan 0.000 0.434 182 R N -0.672 119.592 120.500 -0.392 0.000 2.075 182 R HA -0.147 4.198 4.340 0.008 0.000 0.232 182 R C 2.256 178.431 176.300 -0.207 0.000 1.126 182 R CA 1.544 57.491 56.100 -0.256 0.000 0.963 182 R CB -0.502 29.684 30.300 -0.191 0.000 0.858 182 R HN 0.258 nan 8.270 nan 0.000 0.435 183 F N 1.614 121.334 119.950 -0.383 0.000 2.113 183 F HA -0.115 4.417 4.527 0.008 0.000 0.297 183 F C 2.292 177.988 175.800 -0.172 0.000 1.103 183 F CA 1.323 59.129 58.000 -0.323 0.000 1.248 183 F CB -0.423 38.324 39.000 -0.422 0.000 0.999 183 F HN -0.037 nan 8.300 nan 0.000 0.475 184 A N -0.091 122.619 122.820 -0.184 0.000 1.873 184 A HA -0.180 4.145 4.320 0.008 0.000 0.215 184 A C 2.269 179.764 177.584 -0.148 0.000 1.186 184 A CA 2.601 54.545 52.037 -0.156 0.000 0.616 184 A CB -1.637 17.492 19.000 0.215 0.000 0.823 184 A HN 0.536 nan 8.150 nan 0.000 0.442 185 T N -2.276 112.212 114.554 -0.109 0.000 2.857 185 T HA -0.065 4.290 4.350 0.008 0.000 0.266 185 T C 1.609 176.241 174.700 -0.113 0.000 1.048 185 T CA 1.556 63.618 62.100 -0.063 0.000 1.139 185 T CB -0.265 68.577 68.868 -0.043 0.000 0.874 185 T HN 0.590 nan 8.240 nan 0.000 0.455 186 E N 0.522 120.621 120.200 -0.167 0.000 2.122 186 E HA 0.086 4.441 4.350 0.008 0.000 0.190 186 E C 1.987 178.467 176.600 -0.201 0.000 0.977 186 E CA 0.622 56.930 56.400 -0.153 0.000 0.820 186 E CB 0.148 29.769 29.700 -0.132 0.000 0.770 186 E HN 0.258 nan 8.360 nan 0.000 0.462 187 K N -0.238 119.955 120.400 -0.345 0.000 2.348 187 K HA 0.220 4.545 4.320 0.008 0.000 0.194 187 K C 1.186 177.536 176.600 -0.417 0.000 1.052 187 K CA 0.304 56.346 56.287 -0.408 0.000 1.004 187 K CB 0.714 32.859 32.500 -0.591 0.000 0.873 187 K HN 0.006 nan 8.250 nan 0.000 0.523 188 L N -1.081 119.887 121.223 -0.425 0.000 2.766 188 L HA 0.316 4.661 4.340 0.008 0.000 0.242 188 L C 0.620 177.390 176.870 -0.167 0.000 1.136 188 L CA 0.166 54.826 54.840 -0.300 0.000 0.933 188 L CB 0.455 42.320 42.059 -0.323 0.000 1.241 188 L HN 0.288 nan 8.230 nan 0.000 0.522 189 G N 1.159 109.877 108.800 -0.138 0.000 2.179 189 G HA2 -0.256 3.709 3.960 0.008 0.000 0.257 189 G HA3 -0.256 3.709 3.960 0.008 0.000 0.257 189 G C 0.241 175.121 174.900 -0.034 0.000 1.010 189 G CA 0.208 45.263 45.100 -0.075 0.000 0.736 189 G HN 0.139 nan 8.290 nan 0.000 0.513 190 V N 0.612 120.517 119.914 -0.015 0.000 2.614 190 V HA 0.319 4.444 4.120 0.008 0.000 0.291 190 V C 1.212 177.362 176.094 0.093 0.000 1.049 190 V CA -0.196 62.130 62.300 0.044 0.000 1.038 190 V CB 1.419 33.305 31.823 0.105 0.000 0.980 190 V HN 0.487 nan 8.190 nan 0.000 0.481 191 R N 3.721 124.273 120.500 0.086 0.000 2.254 191 R HA 0.286 4.631 4.340 0.008 0.000 0.318 191 R C -0.280 176.139 176.300 0.198 0.000 1.031 191 R CA -0.462 55.710 56.100 0.121 0.000 0.905 191 R CB 0.399 30.752 30.300 0.089 0.000 1.050 191 R HN 0.930 nan 8.270 nan 0.000 0.456 192 H N 3.676 122.828 119.070 0.136 0.000 2.488 192 H HA 0.373 4.934 4.556 0.008 0.000 0.322 192 H C -1.248 174.134 175.328 0.090 0.000 1.078 192 H CA -0.910 55.251 56.048 0.189 0.000 1.260 192 H CB 1.278 31.223 29.762 0.305 0.000 1.425 192 H HN 0.251 nan 8.280 nan 0.000 0.471 193 V N 5.596 125.649 119.914 0.231 0.000 2.443 193 V HA 0.077 4.202 4.120 0.008 0.000 0.293 193 V C -0.406 175.679 176.094 -0.015 0.000 1.021 193 V CA -0.763 61.541 62.300 0.007 0.000 0.848 193 V CB 1.607 33.387 31.823 -0.072 0.000 0.998 193 V HN 0.858 nan 8.190 nan 0.000 0.424 194 E N 3.810 123.943 120.200 -0.112 0.000 1.893 194 E HA 0.396 4.751 4.350 0.008 0.000 0.269 194 E C -0.797 175.805 176.600 0.003 0.000 1.129 194 E CA 0.003 56.375 56.400 -0.046 0.000 0.904 194 E CB 0.529 30.169 29.700 -0.099 0.000 1.077 194 E HN 0.584 nan 8.360 nan 0.000 0.407 195 D N 1.382 121.791 120.400 0.015 0.000 2.599 195 D HA 0.259 4.904 4.640 0.008 0.000 0.252 195 D C -1.187 175.128 176.300 0.025 0.000 1.232 195 D CA -0.729 53.291 54.000 0.032 0.000 0.819 195 D CB 1.676 42.514 40.800 0.062 0.000 1.401 195 D HN 0.172 nan 8.370 nan 0.000 0.429 196 R N 1.314 121.839 120.500 0.041 0.000 2.387 196 R HA 0.500 4.845 4.340 0.008 0.000 0.314 196 R C -0.809 175.520 176.300 0.049 0.000 0.958 196 R CA -0.646 55.476 56.100 0.036 0.000 0.846 196 R CB 1.281 31.604 30.300 0.037 0.000 1.147 196 R HN 0.170 nan 8.270 nan 0.000 0.447 197 V N 4.648 124.584 119.914 0.037 0.000 2.485 197 V HA -0.045 4.080 4.120 0.008 0.000 0.287 197 V C 1.252 177.381 176.094 0.059 0.000 1.022 197 V CA 0.684 63.016 62.300 0.052 0.000 1.067 197 V CB 1.084 32.923 31.823 0.027 0.000 0.967 197 V HN 0.922 nan 8.190 nan 0.000 0.479 198 E N 3.853 124.106 120.200 0.089 0.000 2.330 198 E HA 0.060 4.415 4.350 0.008 0.000 0.200 198 E C 0.617 177.306 176.600 0.147 0.000 0.922 198 E CA 0.112 56.571 56.400 0.097 0.000 0.935 198 E CB 0.442 30.200 29.700 0.095 0.000 0.917 198 E HN 0.788 nan 8.360 nan 0.000 0.491 199 H N -0.363 118.724 119.070 0.029 0.000 3.029 199 H HA 0.362 4.922 4.556 0.008 0.000 0.358 199 H C -1.818 173.517 175.328 0.011 0.000 1.129 199 H CA -0.720 55.337 56.048 0.015 0.000 1.230 199 H CB 1.917 31.688 29.762 0.015 0.000 1.827 199 H HN -0.030 nan 8.280 nan 0.000 0.530 200 V N 4.735 124.300 119.914 -0.583 0.000 2.357 200 V HA 0.114 4.239 4.120 0.008 0.000 0.284 200 V C 0.039 175.793 176.094 -0.565 0.000 1.018 200 V CA -0.664 61.389 62.300 -0.412 0.000 0.841 200 V CB 1.354 33.003 31.823 -0.290 0.000 0.991 200 V HN 0.617 nan 8.190 nan 0.000 0.437 201 Q N 5.309 124.956 119.800 -0.255 0.000 2.331 201 Q HA 0.430 4.775 4.340 0.008 0.000 0.257 201 Q C -0.314 175.618 176.000 -0.113 0.000 0.957 201 Q CA 0.074 55.825 55.803 -0.086 0.000 0.923 201 Q CB 0.737 29.536 28.738 0.101 0.000 1.212 201 Q HN 0.653 nan 8.270 nan 0.000 0.443 202 R N 2.408 122.849 120.500 -0.098 0.000 2.643 202 R HA 0.383 4.728 4.340 0.008 0.000 0.272 202 R C -0.488 175.789 176.300 -0.038 0.000 0.995 202 R CA -0.750 55.296 56.100 -0.091 0.000 1.032 202 R CB 0.920 31.163 30.300 -0.094 0.000 1.126 202 R HN 0.797 nan 8.270 nan 0.000 0.505 203 D N -0.099 120.282 120.400 -0.031 0.000 2.529 203 D HA 0.224 4.869 4.640 0.008 0.000 0.273 203 D C 0.628 176.923 176.300 -0.009 0.000 1.197 203 D CA -0.658 53.337 54.000 -0.009 0.000 1.070 203 D CB 0.414 41.214 40.800 0.000 0.000 1.134 203 D HN 0.401 nan 8.370 nan 0.000 0.590 204 A N -0.606 122.213 122.820 -0.002 0.000 2.121 204 A HA -0.134 4.191 4.320 0.008 0.000 0.218 204 A C 1.391 178.972 177.584 -0.005 0.000 1.154 204 A CA 0.952 52.987 52.037 -0.003 0.000 0.679 204 A CB -1.101 17.899 19.000 0.000 0.000 0.795 204 A HN 0.639 nan 8.150 nan 0.000 0.458 205 N N -1.248 117.449 118.700 -0.005 0.000 2.336 205 N HA 0.276 5.021 4.740 0.008 0.000 0.189 205 N C 1.026 176.529 175.510 -0.011 0.000 1.113 205 N CA 0.400 53.446 53.050 -0.006 0.000 0.858 205 N CB 0.245 38.730 38.487 -0.002 0.000 0.970 205 N HN 0.544 nan 8.380 nan 0.000 0.471 206 G N 0.736 109.527 108.800 -0.016 0.000 2.176 206 G HA2 -0.291 3.674 3.960 0.008 0.000 0.253 206 G HA3 -0.291 3.674 3.960 0.008 0.000 0.253 206 G C -0.171 174.709 174.900 -0.033 0.000 0.979 206 G CA -0.173 44.912 45.100 -0.024 0.000 0.641 206 G HN 0.378 nan 8.290 nan 0.000 0.530 207 N N -0.334 118.350 118.700 -0.027 0.000 2.483 207 N HA 0.566 5.310 4.740 0.008 0.000 0.269 207 N C 0.351 175.804 175.510 -0.095 0.000 1.209 207 N CA -0.617 52.413 53.050 -0.032 0.000 0.969 207 N CB 0.932 39.425 38.487 0.010 0.000 1.173 207 N HN 0.220 nan 8.380 nan 0.000 0.475 208 I N 1.243 121.698 120.570 -0.193 0.000 2.416 208 I HA -0.016 4.159 4.170 0.008 0.000 0.288 208 I C 1.419 177.366 176.117 -0.284 0.000 1.051 208 I CA 0.273 61.325 61.300 -0.413 0.000 1.375 208 I CB 0.945 38.350 38.000 -0.990 0.000 1.407 208 I HN 0.713 nan 8.210 nan 0.000 0.516 209 E N 3.456 123.558 120.200 -0.164 0.000 2.075 209 E HA -0.010 4.345 4.350 0.008 0.000 0.190 209 E C 0.178 176.851 176.600 0.121 0.000 0.969 209 E CA 0.580 56.988 56.400 0.013 0.000 0.815 209 E CB 0.503 30.214 29.700 0.018 0.000 0.776 209 E HN 0.806 nan 8.360 nan 0.000 0.457 210 S N -1.256 114.462 115.700 0.030 0.000 2.636 210 S HA 0.414 4.889 4.470 0.008 0.000 0.266 210 S C -1.026 173.630 174.600 0.094 0.000 1.147 210 S CA -0.674 57.641 58.200 0.192 0.000 0.815 210 S CB 1.559 64.868 63.200 0.181 0.000 1.119 210 S HN 0.138 nan 8.310 nan 0.000 0.470 211 V N -0.977 119.075 119.914 0.229 0.000 2.588 211 V HA 0.839 4.964 4.120 0.008 0.000 0.304 211 V C -0.477 175.763 176.094 0.245 0.000 1.042 211 V CA -0.818 61.587 62.300 0.174 0.000 0.877 211 V CB 1.509 33.438 31.823 0.176 0.000 0.996 211 V HN 1.162 nan 8.190 nan 0.000 0.425 212 R N 3.025 123.650 120.500 0.209 0.000 2.346 212 R HA 0.675 5.020 4.340 0.008 0.000 0.311 212 R C 0.372 176.786 176.300 0.191 0.000 0.983 212 R CA 0.172 56.392 56.100 0.200 0.000 0.880 212 R CB 1.644 32.043 30.300 0.164 0.000 1.100 212 R HN 1.103 nan 8.270 nan 0.000 0.453 213 T N 0.660 115.341 114.554 0.212 0.000 2.824 213 T HA 0.330 4.685 4.350 0.008 0.000 0.277 213 T C 1.365 176.135 174.700 0.117 0.000 0.975 213 T CA -0.230 61.973 62.100 0.173 0.000 0.966 213 T CB 1.505 70.510 68.868 0.228 0.000 1.054 213 T HN 0.609 nan 8.240 nan 0.000 0.533 214 A N 0.587 123.462 122.820 0.092 0.000 2.019 214 A HA 0.003 4.328 4.320 0.008 0.000 0.219 214 A C 2.374 179.993 177.584 0.059 0.000 1.164 214 A CA 1.839 53.916 52.037 0.066 0.000 0.644 214 A CB -1.592 17.439 19.000 0.053 0.000 0.805 214 A HN 1.073 nan 8.150 nan 0.000 0.449 215 T N -4.545 110.053 114.554 0.073 0.000 3.148 215 T HA 0.386 4.741 4.350 0.008 0.000 0.253 215 T C 1.390 176.119 174.700 0.048 0.000 1.134 215 T CA 1.086 63.221 62.100 0.059 0.000 1.051 215 T CB 0.064 68.973 68.868 0.068 0.000 0.959 215 T HN 1.634 nan 8.240 nan 0.000 0.525 216 G N 1.382 110.216 108.800 0.056 0.000 2.176 216 G HA2 -0.233 3.732 3.960 0.008 0.000 0.232 216 G HA3 -0.233 3.732 3.960 0.008 0.000 0.232 216 G C 0.185 175.096 174.900 0.020 0.000 0.986 216 G CA -0.322 44.798 45.100 0.033 0.000 0.643 216 G HN 0.642 nan 8.290 nan 0.000 0.522 217 R N -0.136 120.389 120.500 0.041 0.000 2.543 217 R HA 0.488 4.833 4.340 0.008 0.000 0.277 217 R C -0.167 176.092 176.300 -0.067 0.000 1.074 217 R CA -0.095 55.970 56.100 -0.057 0.000 1.076 217 R CB 1.333 31.621 30.300 -0.021 0.000 0.993 217 R HN 0.082 nan 8.270 nan 0.000 0.459 218 V N 4.802 124.566 119.914 -0.250 0.000 2.409 218 V HA 0.342 4.467 4.120 0.008 0.000 0.291 218 V C -0.841 175.055 176.094 -0.330 0.000 1.020 218 V CA -0.550 61.674 62.300 -0.128 0.000 0.848 218 V CB 1.167 32.957 31.823 -0.055 0.000 0.990 218 V HN 0.517 nan 8.190 nan 0.000 0.430 219 F N 4.308 124.309 119.950 0.086 0.000 2.402 219 F HA 0.473 5.005 4.527 0.008 0.000 0.355 219 F C 0.494 176.377 175.800 0.139 0.000 1.123 219 F CA -0.830 57.221 58.000 0.084 0.000 1.021 219 F CB 1.341 40.385 39.000 0.073 0.000 1.160 219 F HN 0.601 nan 8.300 nan 0.000 0.451 220 D N 2.180 122.703 120.400 0.204 0.000 2.272 220 D HA 0.824 5.469 4.640 0.008 0.000 0.247 220 D C -0.933 175.408 176.300 0.069 0.000 0.990 220 D CA -0.633 53.492 54.000 0.208 0.000 0.931 220 D CB 2.609 43.483 40.800 0.124 0.000 1.195 220 D HN 0.625 nan 8.370 nan 0.000 0.477 221 A N 0.853 123.670 122.820 -0.006 0.000 2.566 221 A HA 0.319 4.644 4.320 0.008 0.000 0.290 221 A C -0.423 177.076 177.584 -0.141 0.000 1.071 221 A CA -0.650 51.225 52.037 -0.270 0.000 0.658 221 A CB 1.411 19.957 19.000 -0.756 0.000 1.285 221 A HN 0.490 nan 8.150 nan 0.000 0.427 222 D N -0.749 119.569 120.400 -0.136 0.000 2.240 222 D HA 0.170 4.815 4.640 0.008 0.000 0.206 222 D C -0.096 176.195 176.300 -0.015 0.000 0.963 222 D CA 1.208 55.197 54.000 -0.019 0.000 0.863 222 D CB 0.421 41.211 40.800 -0.017 0.000 0.973 222 D HN 0.255 nan 8.370 nan 0.000 0.501 223 L N 0.235 121.352 121.223 -0.176 0.000 2.410 223 L HA 0.396 4.741 4.340 0.008 0.000 0.270 223 L C -1.750 174.935 176.870 -0.309 0.000 0.983 223 L CA -0.658 54.098 54.840 -0.140 0.000 0.822 223 L CB 1.814 43.747 42.059 -0.210 0.000 1.285 223 L HN -0.329 nan 8.230 nan 0.000 0.409 224 F N 4.300 124.172 119.950 -0.129 0.000 2.458 224 F HA 0.643 5.175 4.527 0.008 0.000 0.336 224 F C -0.102 175.594 175.800 -0.173 0.000 1.114 224 F CA -0.839 57.090 58.000 -0.119 0.000 0.987 224 F CB 2.015 40.968 39.000 -0.078 0.000 1.130 224 F HN 0.070 nan 8.300 nan 0.000 0.458 225 V N 2.541 122.434 119.914 -0.034 0.000 2.334 225 V HA 0.205 4.330 4.120 0.008 0.000 0.281 225 V C -0.584 175.474 176.094 -0.060 0.000 1.016 225 V CA -0.778 61.462 62.300 -0.100 0.000 0.832 225 V CB 1.351 33.089 31.823 -0.142 0.000 0.999 225 V HN 0.589 nan 8.190 nan 0.000 0.439 226 D N 3.958 124.330 120.400 -0.047 0.000 2.365 226 D HA 0.196 4.841 4.640 0.008 0.000 0.237 226 D C 0.027 176.294 176.300 -0.055 0.000 1.190 226 D CA -0.107 53.872 54.000 -0.035 0.000 0.867 226 D CB 0.961 41.753 40.800 -0.013 0.000 1.050 226 D HN 0.583 nan 8.370 nan 0.000 0.491 227 C N 2.983 122.236 119.300 -0.078 0.000 2.660 227 C HA 0.135 4.599 4.460 0.008 0.000 0.265 227 C C 1.754 176.690 174.990 -0.089 0.000 1.573 227 C CA -0.371 58.592 59.018 -0.093 0.000 1.751 227 C CB -1.371 26.288 27.740 -0.135 0.000 3.033 227 C HN 0.655 nan 8.230 nan 0.000 0.511 228 S N 0.038 115.698 115.700 -0.067 0.000 2.593 228 S HA 0.425 4.899 4.470 0.008 0.000 0.217 228 S C 1.119 175.681 174.600 -0.064 0.000 0.966 228 S CA 0.678 58.844 58.200 -0.056 0.000 0.914 228 S CB -0.112 63.067 63.200 -0.035 0.000 0.776 228 S HN 1.170 nan 8.310 nan 0.000 0.523 229 G N 1.296 110.037 108.800 -0.100 0.000 2.593 229 G HA2 -0.254 3.711 3.960 0.008 0.000 0.237 229 G HA3 -0.254 3.711 3.960 0.008 0.000 0.237 229 G C 0.093 174.918 174.900 -0.125 0.000 1.312 229 G CA -0.147 44.838 45.100 -0.192 0.000 0.896 229 G HN 0.251 nan 8.290 nan 0.000 0.574 230 F N 1.746 121.656 119.950 -0.066 0.000 2.184 230 F HA -0.134 4.398 4.527 0.008 0.000 0.301 230 F C 2.910 178.630 175.800 -0.134 0.000 1.076 230 F CA 2.408 60.332 58.000 -0.126 0.000 1.295 230 F CB -0.359 38.555 39.000 -0.143 0.000 1.026 230 F HN 0.585 nan 8.300 nan 0.000 0.494 231 R N 0.668 121.218 120.500 0.084 0.000 2.276 231 R HA 0.155 4.500 4.340 0.008 0.000 0.203 231 R C 1.425 177.725 176.300 0.001 0.000 1.017 231 R CA 0.708 56.822 56.100 0.023 0.000 1.010 231 R CB -1.165 29.147 30.300 0.019 0.000 0.900 231 R HN 0.233 nan 8.270 nan 0.000 0.469 232 G N 2.937 111.739 108.800 0.003 0.000 2.357 232 G HA2 -0.262 3.703 3.960 0.008 0.000 0.282 232 G HA3 -0.262 3.703 3.960 0.008 0.000 0.282 232 G C 0.551 175.449 174.900 -0.004 0.000 0.910 232 G CA 0.518 45.621 45.100 0.004 0.000 1.267 232 G HN 0.381 nan 8.290 nan 0.000 0.476 233 L N -0.114 121.102 121.223 -0.012 0.000 2.051 233 L HA -0.103 4.242 4.340 0.008 0.000 0.214 233 L C 2.606 179.457 176.870 -0.032 0.000 1.076 233 L CA 2.484 57.313 54.840 -0.020 0.000 0.758 233 L CB -0.224 41.824 42.059 -0.019 0.000 0.890 233 L HN 0.555 nan 8.230 nan 0.000 0.433 234 L N -2.325 118.879 121.223 -0.030 0.000 2.187 234 L HA -0.008 4.337 4.340 0.008 0.000 0.197 234 L C 2.354 179.206 176.870 -0.030 0.000 1.090 234 L CA 0.535 55.346 54.840 -0.048 0.000 0.781 234 L CB -0.681 41.352 42.059 -0.042 0.000 0.956 234 L HN 0.151 nan 8.230 nan 0.000 0.463 235 I N 0.882 121.452 120.570 -0.000 0.000 2.264 235 I HA -0.283 3.892 4.170 0.008 0.000 0.248 235 I C 1.755 177.892 176.117 0.034 0.000 1.111 235 I CA 1.955 63.271 61.300 0.027 0.000 1.382 235 I CB -0.333 37.700 38.000 0.056 0.000 1.060 235 I HN 0.294 nan 8.210 nan 0.000 0.418 236 N N -0.738 117.980 118.700 0.030 0.000 2.420 236 N HA -0.034 4.711 4.740 0.008 0.000 0.185 236 N C 1.753 177.269 175.510 0.012 0.000 1.033 236 N CA 0.487 53.559 53.050 0.037 0.000 0.879 236 N CB -0.242 38.272 38.487 0.044 0.000 1.071 236 N HN 0.166 nan 8.380 nan 0.000 0.437 237 K N 1.107 121.504 120.400 -0.005 0.000 1.984 237 K HA 0.013 4.338 4.320 0.008 0.000 0.209 237 K C 1.936 178.516 176.600 -0.034 0.000 1.046 237 K CA 1.363 57.640 56.287 -0.017 0.000 0.934 237 K CB -0.115 32.372 32.500 -0.023 0.000 0.717 237 K HN 0.149 nan 8.250 nan 0.000 0.438 238 A N 0.946 123.733 122.820 -0.055 0.000 1.843 238 A HA -0.060 4.265 4.320 0.008 0.000 0.213 238 A C 2.029 179.574 177.584 -0.065 0.000 1.202 238 A CA 1.177 53.163 52.037 -0.085 0.000 0.607 238 A CB -0.300 18.621 19.000 -0.131 0.000 0.847 238 A HN 0.291 nan 8.150 nan 0.000 0.445 239 M N -0.801 118.769 119.600 -0.048 0.000 2.557 239 M HA 0.020 4.505 4.480 0.008 0.000 0.259 239 M C 0.216 176.511 176.300 -0.008 0.000 1.086 239 M CA 0.849 56.133 55.300 -0.028 0.000 1.096 239 M CB -1.327 31.267 32.600 -0.009 0.000 1.424 239 M HN 0.582 nan 8.290 nan 0.000 0.488 240 E N 0.302 120.501 120.200 -0.003 0.000 2.883 240 E HA -0.219 4.136 4.350 0.008 0.000 0.271 240 E C 0.037 176.652 176.600 0.025 0.000 1.049 240 E CA 0.568 56.974 56.400 0.010 0.000 0.817 240 E CB -1.273 28.429 29.700 0.002 0.000 1.407 240 E HN 0.413 nan 8.360 nan 0.000 0.434 241 E N 1.229 121.450 120.200 0.035 0.000 2.376 241 E HA 0.129 4.483 4.350 0.008 0.000 0.266 241 E C -2.459 174.183 176.600 0.071 0.000 1.009 241 E CA -1.937 54.491 56.400 0.047 0.000 0.902 241 E CB 0.666 30.401 29.700 0.058 0.000 0.972 241 E HN -0.100 nan 8.360 nan 0.000 0.439 242 P HA 0.099 nan 4.420 nan 0.000 0.271 242 P C -1.167 176.204 177.300 0.119 0.000 1.218 242 P CA -0.059 63.091 63.100 0.083 0.000 0.780 242 P CB 0.319 32.047 31.700 0.045 0.000 0.901 243 F N 3.008 122.964 119.950 0.011 0.000 2.436 243 F HA 0.406 4.938 4.527 0.008 0.000 0.340 243 F C -0.646 175.164 175.800 0.017 0.000 1.113 243 F CA -0.771 57.235 58.000 0.010 0.000 1.022 243 F CB 0.678 39.690 39.000 0.020 0.000 1.128 243 F HN 0.050 nan 8.300 nan 0.000 0.466 244 L N 6.289 127.124 121.223 -0.647 0.000 2.282 244 L HA 0.212 4.557 4.340 0.008 0.000 0.287 244 L C -0.012 176.624 176.870 -0.390 0.000 1.075 244 L CA -0.516 54.100 54.840 -0.373 0.000 0.839 244 L CB 0.320 42.217 42.059 -0.270 0.000 1.219 244 L HN 0.578 nan 8.230 nan 0.000 0.434 245 D N 4.798 125.184 120.400 -0.023 0.000 2.383 245 D HA 0.085 4.730 4.640 0.008 0.000 0.252 245 D C -0.011 176.355 176.300 0.110 0.000 1.166 245 D CA -0.059 54.032 54.000 0.153 0.000 0.879 245 D CB 1.246 42.165 40.800 0.199 0.000 1.164 245 D HN 0.483 nan 8.370 nan 0.000 0.462 246 M N 2.837 122.543 119.600 0.176 0.000 2.869 246 M HA -0.010 4.475 4.480 0.008 0.000 0.353 246 M C 1.445 177.864 176.300 0.197 0.000 1.224 246 M CA -0.364 55.062 55.300 0.211 0.000 0.917 246 M CB 0.608 33.394 32.600 0.309 0.000 1.322 246 M HN 0.351 nan 8.290 nan 0.000 0.516 247 S N -0.811 114.975 115.700 0.144 0.000 2.595 247 S HA -0.114 4.361 4.470 0.008 0.000 0.235 247 S C 1.184 175.812 174.600 0.047 0.000 0.974 247 S CA 0.957 59.224 58.200 0.112 0.000 0.942 247 S CB -0.398 62.858 63.200 0.094 0.000 0.766 247 S HN 0.635 nan 8.310 nan 0.000 0.536 248 D N -0.058 120.329 120.400 -0.022 0.000 2.340 248 D HA -0.068 4.577 4.640 0.008 0.000 0.220 248 D C 1.084 177.200 176.300 -0.307 0.000 1.039 248 D CA 0.442 54.345 54.000 -0.162 0.000 0.866 248 D CB -0.385 40.277 40.800 -0.230 0.000 0.913 248 D HN 0.533 nan 8.370 nan 0.000 0.523 249 H N -0.345 118.759 119.070 0.057 0.000 3.091 249 H HA 0.368 4.929 4.556 0.008 0.000 0.249 249 H C 0.165 175.526 175.328 0.055 0.000 0.985 249 H CA 0.035 56.111 56.048 0.047 0.000 1.177 249 H CB 1.672 31.465 29.762 0.051 0.000 1.456 249 H HN 0.037 nan 8.280 nan 0.000 0.467 250 L N 1.846 123.176 121.223 0.179 0.000 2.406 250 L HA 0.262 4.607 4.340 0.008 0.000 0.270 250 L C 0.818 177.748 176.870 0.100 0.000 0.982 250 L CA -0.182 54.735 54.840 0.127 0.000 0.843 250 L CB 2.803 44.976 42.059 0.190 0.000 1.225 250 L HN -0.060 nan 8.230 nan 0.000 0.412 251 L N 1.397 122.643 121.223 0.038 0.000 2.270 251 L HA 0.066 4.411 4.340 0.008 0.000 0.210 251 L C 0.662 177.623 176.870 0.152 0.000 1.104 251 L CA 0.569 55.481 54.840 0.119 0.000 0.804 251 L CB -0.189 41.968 42.059 0.165 0.000 0.937 251 L HN 0.661 nan 8.230 nan 0.000 0.450 252 N N 1.248 120.025 118.700 0.128 0.000 2.475 252 N HA 0.013 4.757 4.740 0.008 0.000 0.267 252 N C -0.236 175.398 175.510 0.206 0.000 1.169 252 N CA 0.001 53.131 53.050 0.134 0.000 0.947 252 N CB 0.646 39.261 38.487 0.213 0.000 1.061 252 N HN 0.188 nan 8.380 nan 0.000 0.466 253 D N -0.873 119.569 120.400 0.070 0.000 2.538 253 D HA 0.108 4.753 4.640 0.008 0.000 0.241 253 D C -0.589 175.578 176.300 -0.222 0.000 1.297 253 D CA -0.091 53.978 54.000 0.115 0.000 0.804 253 D CB 0.314 41.113 40.800 -0.001 0.000 1.122 253 D HN 0.209 nan 8.370 nan 0.000 0.519 254 S N -0.647 114.698 115.700 -0.592 0.000 2.685 254 S HA 0.953 5.428 4.470 0.008 0.000 0.282 254 S C -1.197 172.763 174.600 -1.067 0.000 1.159 254 S CA -0.563 56.964 58.200 -1.122 0.000 0.833 254 S CB 2.013 64.452 63.200 -1.269 0.000 1.151 254 S HN 0.505 nan 8.310 nan 0.000 0.485 255 A N 0.288 122.630 122.820 -0.796 0.000 2.605 255 A HA 0.782 5.107 4.320 0.008 0.000 0.294 255 A C -1.791 175.684 177.584 -0.181 0.000 1.062 255 A CA -0.659 51.186 52.037 -0.320 0.000 0.682 255 A CB 1.396 20.334 19.000 -0.103 0.000 1.278 255 A HN 1.157 nan 8.150 nan 0.000 0.410 256 V N 0.972 120.727 119.914 -0.265 0.000 2.483 256 V HA 0.882 5.007 4.120 0.008 0.000 0.297 256 V C -0.152 175.509 176.094 -0.721 0.000 1.027 256 V CA 0.472 62.557 62.300 -0.359 0.000 0.855 256 V CB 1.056 32.683 31.823 -0.326 0.000 0.995 256 V HN 2.282 nan 8.190 nan 0.000 0.424 257 A N 4.490 127.063 122.820 -0.413 0.000 2.566 257 A HA 0.977 5.302 4.320 0.008 0.000 0.292 257 A C -0.424 177.161 177.584 0.001 0.000 1.112 257 A CA -0.071 51.751 52.037 -0.359 0.000 0.707 257 A CB 2.337 21.226 19.000 -0.185 0.000 1.302 257 A HN 1.134 nan 8.150 nan 0.000 0.409 258 T N -0.970 113.656 114.554 0.119 0.000 2.665 258 T HA 0.544 4.899 4.350 0.008 0.000 0.303 258 T C -1.852 172.868 174.700 0.034 0.000 1.334 258 T CA -0.319 61.847 62.100 0.110 0.000 1.011 258 T CB 1.478 70.428 68.868 0.136 0.000 1.573 258 T HN 0.885 nan 8.240 nan 0.000 0.492 259 Q N 1.535 121.307 119.800 -0.046 0.000 2.337 259 Q HA 0.691 5.036 4.340 0.008 0.000 0.270 259 Q C -1.866 173.952 176.000 -0.303 0.000 1.043 259 Q CA -0.678 55.041 55.803 -0.140 0.000 0.794 259 Q CB 1.917 30.633 28.738 -0.036 0.000 1.281 259 Q HN 0.522 nan 8.270 nan 0.000 0.446 260 V N 5.271 124.814 119.914 -0.619 0.000 2.448 260 V HA 0.436 4.561 4.120 0.008 0.000 0.295 260 V C -2.301 173.483 176.094 -0.517 0.000 1.025 260 V CA -1.971 59.901 62.300 -0.713 0.000 0.859 260 V CB 1.451 32.489 31.823 -1.307 0.000 0.988 260 V HN 0.798 nan 8.190 nan 0.000 0.431 261 P HA 0.154 nan 4.420 nan 0.000 0.269 261 P C -0.719 176.586 177.300 0.007 0.000 1.209 261 P CA 0.272 63.319 63.100 -0.089 0.000 0.776 261 P CB 0.286 31.952 31.700 -0.057 0.000 0.876 262 H N 1.684 120.738 119.070 -0.025 0.000 2.865 262 H HA 0.189 4.750 4.556 0.008 0.000 0.362 262 H C -1.255 174.087 175.328 0.023 0.000 1.114 262 H CA -0.545 55.533 56.048 0.049 0.000 1.208 262 H CB 1.767 31.621 29.762 0.153 0.000 1.727 262 H HN 0.268 nan 8.280 nan 0.000 0.534 263 D N 3.562 123.683 120.400 -0.464 0.000 2.468 263 D HA 0.063 4.708 4.640 0.008 0.000 0.218 263 D C 0.237 176.340 176.300 -0.328 0.000 1.155 263 D CA -0.147 53.681 54.000 -0.286 0.000 0.924 263 D CB 0.439 41.103 40.800 -0.227 0.000 1.029 263 D HN 0.494 nan 8.370 nan 0.000 0.515 264 D N 2.018 122.348 120.400 -0.116 0.000 2.264 264 D HA -0.133 4.512 4.640 0.008 0.000 0.208 264 D C 1.091 177.067 176.300 -0.540 0.000 0.966 264 D CA 0.640 54.524 54.000 -0.193 0.000 0.864 264 D CB 0.367 41.092 40.800 -0.126 0.000 0.933 264 D HN 0.499 nan 8.370 nan 0.000 0.499 265 D N 0.410 120.638 120.400 -0.287 0.000 2.144 265 D HA -0.060 4.585 4.640 0.008 0.000 0.200 265 D C 1.965 178.204 176.300 -0.101 0.000 0.978 265 D CA 1.025 54.944 54.000 -0.134 0.000 0.833 265 D CB 0.077 40.887 40.800 0.016 0.000 0.961 265 D HN 0.166 nan 8.370 nan 0.000 0.470 266 A N 0.656 123.407 122.820 -0.114 0.000 1.935 266 A HA -0.053 4.272 4.320 0.008 0.000 0.214 266 A C 1.686 179.232 177.584 -0.063 0.000 1.178 266 A CA 0.972 52.964 52.037 -0.075 0.000 0.640 266 A CB -0.262 18.689 19.000 -0.081 0.000 0.825 266 A HN 0.193 nan 8.150 nan 0.000 0.447 267 N N -1.461 117.183 118.700 -0.093 0.000 2.250 267 N HA 0.407 5.152 4.740 0.008 0.000 0.190 267 N C 0.748 176.289 175.510 0.052 0.000 1.116 267 N CA 0.566 53.618 53.050 0.004 0.000 0.881 267 N CB 0.774 39.287 38.487 0.045 0.000 1.006 267 N HN 0.655 nan 8.380 nan 0.000 0.491 268 G N 0.171 108.949 108.800 -0.036 0.000 2.782 268 G HA2 -0.183 3.782 3.960 0.008 0.000 0.228 268 G HA3 -0.183 3.782 3.960 0.008 0.000 0.228 268 G C -0.943 173.988 174.900 0.051 0.000 1.372 268 G CA -0.559 44.527 45.100 -0.022 0.000 0.862 268 G HN 0.076 nan 8.290 nan 0.000 0.547 269 V N 0.458 120.404 119.914 0.054 0.000 2.588 269 V HA 0.503 4.627 4.120 0.008 0.000 0.304 269 V C 0.216 176.264 176.094 -0.077 0.000 1.042 269 V CA -0.704 61.592 62.300 -0.007 0.000 0.877 269 V CB 1.745 33.613 31.823 0.074 0.000 0.996 269 V HN 0.793 nan 8.190 nan 0.000 0.425 270 E N 6.296 126.345 120.200 -0.252 0.000 2.290 270 E HA 0.201 4.556 4.350 0.008 0.000 0.277 270 E C -2.039 174.294 176.600 -0.444 0.000 1.035 270 E CA -1.550 54.534 56.400 -0.527 0.000 0.873 270 E CB 1.136 30.189 29.700 -1.078 0.000 1.029 270 E HN 0.472 nan 8.360 nan 0.000 0.419 271 P HA 0.056 nan 4.420 nan 0.000 0.235 271 P C -1.243 176.116 177.300 0.098 0.000 1.725 271 P CA 0.088 63.173 63.100 -0.026 0.000 0.894 271 P CB -0.597 31.121 31.700 0.030 0.000 1.704 272 F N -4.043 116.004 119.950 0.163 0.000 2.719 272 F HA 0.536 5.068 4.527 0.008 0.000 0.309 272 F C -0.864 175.095 175.800 0.265 0.000 1.138 272 F CA -1.273 56.824 58.000 0.162 0.000 0.943 272 F CB 0.233 39.279 39.000 0.077 0.000 1.304 272 F HN -0.452 nan 8.300 nan 0.000 0.445 273 T N 1.542 116.387 114.554 0.485 0.000 2.856 273 T HA 0.549 4.904 4.350 0.008 0.000 0.292 273 T C -0.387 174.491 174.700 0.297 0.000 0.980 273 T CA -0.417 61.871 62.100 0.313 0.000 1.091 273 T CB 1.143 70.181 68.868 0.282 0.000 0.936 273 T HN 0.656 nan 8.240 nan 0.000 0.503 274 S N 1.843 117.702 115.700 0.265 0.000 2.509 274 S HA 0.676 5.150 4.470 0.008 0.000 0.297 274 S C -0.224 174.531 174.600 0.259 0.000 1.118 274 S CA -0.840 57.499 58.200 0.231 0.000 1.074 274 S CB 1.408 64.773 63.200 0.274 0.000 1.038 274 S HN 0.851 nan 8.310 nan 0.000 0.498 275 A N 3.493 126.392 122.820 0.131 0.000 2.431 275 A HA 0.602 4.927 4.320 0.008 0.000 0.318 275 A C -0.447 177.511 177.584 0.624 0.000 1.330 275 A CA -0.564 51.715 52.037 0.404 0.000 0.804 275 A CB -0.116 18.742 19.000 -0.236 0.000 1.135 275 A HN 0.820 nan 8.150 nan 0.000 0.483 276 I N 2.803 123.740 120.570 0.611 0.000 2.301 276 I HA 0.359 4.534 4.170 0.008 0.000 0.292 276 I C 1.000 177.282 176.117 0.275 0.000 1.046 276 I CA -0.193 61.328 61.300 0.369 0.000 1.282 276 I CB 1.501 39.611 38.000 0.183 0.000 1.409 276 I HN 0.678 nan 8.210 nan 0.000 0.484 277 A N 8.498 131.282 122.820 -0.059 0.000 2.511 277 A HA 0.503 4.828 4.320 0.008 0.000 0.242 277 A C 0.178 177.752 177.584 -0.016 0.000 1.069 277 A CA 0.139 51.993 52.037 -0.306 0.000 0.763 277 A CB 0.310 18.792 19.000 -0.862 0.000 1.001 277 A HN 0.681 nan 8.150 nan 0.000 0.498 278 M N 0.982 120.677 119.600 0.158 0.000 2.792 278 M HA 0.362 4.847 4.480 0.008 0.000 0.290 278 M C 0.815 177.287 176.300 0.287 0.000 1.155 278 M CA -0.572 54.759 55.300 0.051 0.000 0.781 278 M CB 0.898 33.369 32.600 -0.215 0.000 1.741 278 M HN 0.756 nan 8.290 nan 0.000 0.473 279 K N 0.018 120.518 120.400 0.166 0.000 2.155 279 K HA 0.064 4.389 4.320 0.008 0.000 0.203 279 K C 0.630 177.302 176.600 0.119 0.000 1.052 279 K CA 0.981 57.423 56.287 0.259 0.000 0.948 279 K CB 0.182 32.766 32.500 0.140 0.000 0.728 279 K HN 0.418 nan 8.250 nan 0.000 0.448 280 S N -0.091 115.560 115.700 -0.081 0.000 2.835 280 S HA 0.367 4.841 4.470 0.008 0.000 0.248 280 S C -0.129 173.824 174.600 -1.079 0.000 1.070 280 S CA -0.205 57.619 58.200 -0.628 0.000 1.090 280 S CB 1.464 64.576 63.200 -0.146 0.000 0.978 280 S HN 0.515 nan 8.310 nan 0.000 0.510 281 G N 1.474 109.768 108.800 -0.843 0.000 2.491 281 G HA2 0.301 4.266 3.960 0.008 0.000 0.183 281 G HA3 0.301 4.266 3.960 0.008 0.000 0.183 281 G C -2.144 172.997 174.900 0.401 0.000 1.221 281 G CA -0.245 44.696 45.100 -0.264 0.000 0.996 281 G HN 0.426 nan 8.290 nan 0.000 0.474 282 W N -0.609 120.939 121.300 0.413 0.000 3.074 282 W HA 0.757 5.422 4.660 0.008 0.000 0.332 282 W C -1.554 175.236 176.519 0.452 0.000 1.253 282 W CA -0.791 56.776 57.345 0.369 0.000 1.180 282 W CB 0.748 30.507 29.460 0.497 0.000 1.445 282 W HN 0.753 nan 8.180 nan 0.000 0.573 283 T N 2.373 117.151 114.554 0.373 0.000 2.841 283 T HA 0.419 4.774 4.350 0.008 0.000 0.283 283 T C -0.897 174.067 174.700 0.440 0.000 1.000 283 T CA -0.187 62.013 62.100 0.166 0.000 0.977 283 T CB 1.275 70.245 68.868 0.169 0.000 0.979 283 T HN 0.419 nan 8.240 nan 0.000 0.446 284 W N 2.570 124.009 121.300 0.231 0.000 2.448 284 W HA 0.786 5.451 4.660 0.009 0.000 0.339 284 W C -0.555 176.173 176.519 0.348 0.000 1.124 284 W CA -1.313 56.274 57.345 0.403 0.000 1.262 284 W CB 0.597 30.263 29.460 0.344 0.000 1.251 284 W HN 0.527 nan 8.180 nan 0.000 0.597 285 K N 4.031 124.793 120.400 0.604 0.000 2.578 285 K HA 0.472 4.796 4.320 0.008 0.000 0.250 285 K C -1.747 174.984 176.600 0.218 0.000 0.955 285 K CA -0.584 55.917 56.287 0.358 0.000 0.825 285 K CB 0.892 33.479 32.500 0.145 0.000 1.151 285 K HN 0.771 nan 8.250 nan 0.000 0.432 286 I N 6.456 127.151 120.570 0.209 0.000 2.405 286 I HA 0.282 4.457 4.170 0.008 0.000 0.280 286 I C -2.335 173.666 176.117 -0.193 0.000 1.027 286 I CA -2.508 58.680 61.300 -0.185 0.000 1.161 286 I CB 1.768 39.704 38.000 -0.107 0.000 1.300 286 I HN 0.363 nan 8.210 nan 0.000 0.463 287 P HA 0.269 nan 4.420 nan 0.000 0.271 287 P C -0.469 176.831 177.300 0.001 0.000 1.226 287 P CA 0.241 63.259 63.100 -0.137 0.000 0.765 287 P CB 0.786 32.372 31.700 -0.191 0.000 0.835 288 M N 1.838 121.478 119.600 0.066 0.000 2.561 288 M HA 0.413 4.897 4.480 0.008 0.000 0.266 288 M C -0.294 176.071 176.300 0.108 0.000 0.983 288 M CA -1.025 54.346 55.300 0.118 0.000 1.080 288 M CB 0.683 33.359 32.600 0.127 0.000 1.554 288 M HN -0.013 nan 8.290 nan 0.000 0.604 289 L N 1.511 122.800 121.223 0.110 0.000 2.261 289 L HA 0.382 4.727 4.340 0.008 0.000 0.289 289 L C 0.794 177.728 176.870 0.108 0.000 1.059 289 L CA -0.164 54.741 54.840 0.109 0.000 0.816 289 L CB 0.166 42.279 42.059 0.090 0.000 1.191 289 L HN 1.074 nan 8.230 nan 0.000 0.431 290 G N 2.679 111.559 108.800 0.134 0.000 2.155 290 G HA2 -0.246 3.719 3.960 0.008 0.000 0.257 290 G HA3 -0.246 3.719 3.960 0.008 0.000 0.257 290 G C 0.174 175.155 174.900 0.135 0.000 0.983 290 G CA 0.507 45.686 45.100 0.132 0.000 0.676 290 G HN 0.783 nan 8.290 nan 0.000 0.528 291 R N -1.393 119.189 120.500 0.136 0.000 2.774 291 R HA 0.650 4.995 4.340 0.008 0.000 0.279 291 R C -1.444 174.911 176.300 0.091 0.000 1.022 291 R CA -0.401 55.743 56.100 0.073 0.000 0.855 291 R CB 0.248 30.543 30.300 -0.008 0.000 1.279 291 R HN 1.055 nan 8.270 nan 0.000 0.485 292 F N -1.356 118.545 119.950 -0.082 0.000 2.591 292 F HA 0.805 5.337 4.527 0.008 0.000 0.309 292 F C -0.435 175.312 175.800 -0.088 0.000 1.098 292 F CA -0.771 57.152 58.000 -0.129 0.000 0.937 292 F CB 1.958 40.812 39.000 -0.243 0.000 1.250 292 F HN 0.733 nan 8.300 nan 0.000 0.447 293 G N 0.521 109.449 108.800 0.214 0.000 2.400 293 G HA2 0.535 4.500 3.960 0.008 0.000 0.301 293 G HA3 0.535 4.500 3.960 0.008 0.000 0.301 293 G C -1.302 173.847 174.900 0.414 0.000 1.154 293 G CA -0.613 44.637 45.100 0.250 0.000 0.852 293 G HN 0.990 nan 8.290 nan 0.000 0.511 294 T N -0.740 113.935 114.554 0.201 0.000 2.982 294 T HA 0.711 5.066 4.350 0.008 0.000 0.321 294 T C -0.419 173.920 174.700 -0.603 0.000 1.229 294 T CA 0.108 62.131 62.100 -0.128 0.000 1.044 294 T CB 1.536 70.429 68.868 0.042 0.000 1.184 294 T HN 1.392 nan 8.240 nan 0.000 0.477 295 G N 2.298 110.134 108.800 -1.606 0.000 2.746 295 G HA2 0.503 4.468 3.960 0.008 0.000 0.297 295 G HA3 0.503 4.468 3.960 0.008 0.000 0.297 295 G C -2.183 172.083 174.900 -1.058 0.000 1.426 295 G CA -0.572 43.519 45.100 -1.681 0.000 0.989 295 G HN 0.645 nan 8.290 nan 0.000 0.520 296 Y N 3.182 122.912 120.300 -0.949 0.000 2.404 296 Y HA 0.538 5.093 4.550 0.008 0.000 0.344 296 Y C -0.320 175.396 175.900 -0.307 0.000 0.970 296 Y CA -1.438 56.374 58.100 -0.480 0.000 1.180 296 Y CB 1.069 39.329 38.460 -0.332 0.000 1.138 296 Y HN 0.274 nan 8.280 nan 0.000 0.510 297 V N 9.771 129.567 119.914 -0.195 0.000 2.408 297 V HA 0.207 4.332 4.120 0.008 0.000 0.267 297 V C -0.539 175.434 176.094 -0.202 0.000 1.047 297 V CA -0.211 61.993 62.300 -0.159 0.000 0.937 297 V CB -0.582 31.108 31.823 -0.221 0.000 0.999 297 V HN 0.683 nan 8.190 nan 0.000 0.472 298 Y N 2.342 122.348 120.300 -0.490 0.000 2.669 298 Y HA 0.781 5.336 4.550 0.008 0.000 0.335 298 Y C -0.167 175.560 175.900 -0.288 0.000 1.116 298 Y CA -1.699 56.054 58.100 -0.577 0.000 1.081 298 Y CB 1.689 39.535 38.460 -1.022 0.000 1.297 298 Y HN 0.335 nan 8.280 nan 0.000 0.484 299 S N 0.639 116.241 115.700 -0.165 0.000 2.438 299 S HA 0.282 4.756 4.470 0.008 0.000 0.316 299 S C 0.778 175.397 174.600 0.031 0.000 1.084 299 S CA -0.088 58.098 58.200 -0.024 0.000 1.107 299 S CB 0.273 63.665 63.200 0.320 0.000 0.981 299 S HN 0.987 nan 8.310 nan 0.000 0.466 300 S N 4.789 120.411 115.700 -0.130 0.000 2.465 300 S HA -0.126 4.349 4.470 0.008 0.000 0.241 300 S C 1.673 176.243 174.600 -0.051 0.000 1.000 300 S CA 0.728 58.897 58.200 -0.051 0.000 0.964 300 S CB -0.288 62.837 63.200 -0.125 0.000 0.763 300 S HN 0.767 nan 8.310 nan 0.000 0.512 301 R N -0.188 120.254 120.500 -0.096 0.000 2.193 301 R HA 0.232 4.577 4.340 0.008 0.000 0.213 301 R C 0.675 176.616 176.300 -0.598 0.000 1.055 301 R CA 1.151 57.042 56.100 -0.348 0.000 0.995 301 R CB -0.153 29.877 30.300 -0.451 0.000 0.893 301 R HN 0.559 nan 8.270 nan 0.000 0.459 302 F N -1.588 118.398 119.950 0.060 0.000 2.728 302 F HA 0.477 5.009 4.527 0.008 0.000 0.314 302 F C 0.073 175.898 175.800 0.042 0.000 1.094 302 F CA -0.191 57.850 58.000 0.068 0.000 1.217 302 F CB 1.082 40.159 39.000 0.128 0.000 1.056 302 F HN -0.091 nan 8.300 nan 0.000 0.577 303 A N 0.187 123.104 122.820 0.161 0.000 2.488 303 A HA 0.590 4.914 4.320 0.008 0.000 0.298 303 A C -0.069 177.550 177.584 0.058 0.000 1.044 303 A CA -0.540 51.542 52.037 0.074 0.000 0.693 303 A CB 0.401 19.394 19.000 -0.012 0.000 1.272 303 A HN 0.058 nan 8.150 nan 0.000 0.402 304 T N -1.080 113.471 114.554 -0.004 0.000 2.849 304 T HA 0.322 4.676 4.350 0.008 0.000 0.284 304 T C 0.966 175.634 174.700 -0.054 0.000 1.004 304 T CA 0.409 62.508 62.100 -0.002 0.000 1.021 304 T CB 1.112 69.970 68.868 -0.017 0.000 1.013 304 T HN 0.782 nan 8.240 nan 0.000 0.527 305 E N 0.403 120.599 120.200 -0.007 0.000 2.118 305 E HA -0.242 4.113 4.350 0.008 0.000 0.195 305 E C 1.172 177.705 176.600 -0.111 0.000 0.992 305 E CA 1.626 58.002 56.400 -0.041 0.000 0.804 305 E CB -0.129 29.578 29.700 0.011 0.000 0.741 305 E HN 0.694 nan 8.360 nan 0.000 0.458 306 D N 0.542 120.902 120.400 -0.066 0.000 2.117 306 D HA -0.150 4.494 4.640 0.008 0.000 0.197 306 D C 1.798 178.059 176.300 -0.065 0.000 0.987 306 D CA 1.130 55.099 54.000 -0.050 0.000 0.829 306 D CB -0.192 40.592 40.800 -0.027 0.000 0.961 306 D HN 0.372 nan 8.370 nan 0.000 0.460 307 E N 0.693 120.844 120.200 -0.081 0.000 2.110 307 E HA -0.110 4.245 4.350 0.008 0.000 0.193 307 E C 2.091 178.627 176.600 -0.107 0.000 0.988 307 E CA 0.952 57.309 56.400 -0.072 0.000 0.804 307 E CB -0.033 29.635 29.700 -0.054 0.000 0.745 307 E HN 0.181 nan 8.360 nan 0.000 0.458 308 A N 1.011 123.654 122.820 -0.295 0.000 1.898 308 A HA -0.131 4.194 4.320 0.008 0.000 0.216 308 A C 2.509 180.042 177.584 -0.086 0.000 1.181 308 A CA 1.069 52.844 52.037 -0.438 0.000 0.620 308 A CB -0.612 17.439 19.000 -1.582 0.000 0.819 308 A HN 0.113 nan 8.150 nan 0.000 0.442 309 V N -0.032 119.827 119.914 -0.092 0.000 2.343 309 V HA -0.254 3.871 4.120 0.008 0.000 0.247 309 V C 2.649 178.805 176.094 0.102 0.000 1.051 309 V CA 2.346 64.677 62.300 0.052 0.000 1.036 309 V CB -0.794 31.041 31.823 0.020 0.000 0.654 309 V HN 0.679 nan 8.190 nan 0.000 0.451 310 R N 0.090 120.611 120.500 0.036 0.000 2.066 310 R HA -0.161 4.184 4.340 0.008 0.000 0.232 310 R C 2.318 178.623 176.300 0.007 0.000 1.131 310 R CA 1.797 57.910 56.100 0.020 0.000 0.955 310 R CB -0.217 30.082 30.300 -0.001 0.000 0.851 310 R HN 0.602 nan 8.270 nan 0.000 0.432 311 E N -0.394 119.813 120.200 0.011 0.000 2.085 311 E HA -0.234 4.121 4.350 0.008 0.000 0.194 311 E C 1.723 178.264 176.600 -0.098 0.000 0.994 311 E CA 1.473 57.838 56.400 -0.057 0.000 0.801 311 E CB -0.228 29.441 29.700 -0.053 0.000 0.743 311 E HN 0.308 nan 8.360 nan 0.000 0.453 312 F N 0.942 120.814 119.950 -0.131 0.000 2.113 312 F HA -0.188 4.344 4.527 0.008 0.000 0.297 312 F C 2.186 177.973 175.800 -0.022 0.000 1.103 312 F CA 1.069 59.009 58.000 -0.100 0.000 1.248 312 F CB -0.495 38.548 39.000 0.070 0.000 0.999 312 F HN 0.014 nan 8.300 nan 0.000 0.475 313 C N 0.891 120.152 119.300 -0.066 0.000 2.446 313 C HA -0.138 4.327 4.460 0.008 0.000 0.277 313 C C 2.672 177.558 174.990 -0.174 0.000 1.275 313 C CA 1.267 60.201 59.018 -0.141 0.000 1.727 313 C CB -1.159 26.583 27.740 0.004 0.000 2.010 313 C HN 0.525 nan 8.230 nan 0.000 0.486 314 E N 0.695 120.799 120.200 -0.159 0.000 2.110 314 E HA -0.282 4.073 4.350 0.008 0.000 0.193 314 E C 2.091 178.448 176.600 -0.403 0.000 0.988 314 E CA 1.523 57.813 56.400 -0.184 0.000 0.804 314 E CB -0.390 29.238 29.700 -0.120 0.000 0.745 314 E HN 0.777 nan 8.360 nan 0.000 0.458 315 M N -0.480 118.821 119.600 -0.499 0.000 2.159 315 M HA -0.162 4.323 4.480 0.008 0.000 0.263 315 M C 1.087 176.809 176.300 -0.964 0.000 1.063 315 M CA 1.741 56.590 55.300 -0.752 0.000 1.110 315 M CB -0.133 31.961 32.600 -0.843 0.000 1.374 315 M HN 0.091 nan 8.290 nan 0.000 0.411 316 W N -0.299 120.689 121.300 -0.521 0.000 3.220 316 W HA 0.234 4.899 4.660 0.008 0.000 0.328 316 W C -0.110 176.238 176.519 -0.284 0.000 1.205 316 W CA -0.547 56.567 57.345 -0.385 0.000 1.773 316 W CB 0.200 29.444 29.460 -0.361 0.000 1.086 316 W HN 0.351 nan 8.180 nan 0.000 0.622 317 H N -0.215 118.881 119.070 0.044 0.000 2.819 317 H HA -0.144 4.416 4.556 0.008 0.000 0.315 317 H C -0.313 175.032 175.328 0.028 0.000 1.242 317 H CA 0.890 56.954 56.048 0.025 0.000 1.157 317 H CB -2.067 27.720 29.762 0.041 0.000 1.451 317 H HN 0.200 nan 8.280 nan 0.000 0.430 318 L N 0.087 121.344 121.223 0.056 0.000 2.322 318 L HA 0.375 4.720 4.340 0.008 0.000 0.269 318 L C 0.924 177.810 176.870 0.027 0.000 1.012 318 L CA -0.883 53.977 54.840 0.034 0.000 0.815 318 L CB 1.499 43.553 42.059 -0.009 0.000 1.295 318 L HN -0.023 nan 8.230 nan 0.000 0.438 319 D N 1.788 122.204 120.400 0.027 0.000 2.339 319 D HA 0.174 4.819 4.640 0.008 0.000 0.241 319 D C -1.816 174.501 176.300 0.029 0.000 1.183 319 D CA -1.875 52.141 54.000 0.026 0.000 0.859 319 D CB 1.758 42.571 40.800 0.023 0.000 1.067 319 D HN 0.159 nan 8.370 nan 0.000 0.484 320 P HA -0.132 nan 4.420 nan 0.000 0.216 320 P C 0.981 178.301 177.300 0.033 0.000 1.150 320 P CA 0.872 63.995 63.100 0.039 0.000 0.843 320 P CB 0.415 32.133 31.700 0.031 0.000 0.787 321 E N -1.251 118.964 120.200 0.024 0.000 2.268 321 E HA -0.076 4.279 4.350 0.008 0.000 0.195 321 E C 1.548 178.160 176.600 0.021 0.000 0.995 321 E CA 1.756 58.168 56.400 0.020 0.000 0.836 321 E CB -0.518 29.192 29.700 0.015 0.000 0.763 321 E HN 0.416 nan 8.360 nan 0.000 0.491 322 T N -3.422 111.145 114.554 0.023 0.000 3.041 322 T HA 0.084 4.439 4.350 0.008 0.000 0.276 322 T C 0.696 175.411 174.700 0.024 0.000 0.948 322 T CA -0.433 61.679 62.100 0.021 0.000 0.885 322 T CB 0.321 69.199 68.868 0.016 0.000 1.175 322 T HN -0.175 nan 8.240 nan 0.000 0.529 323 Q N 4.430 124.249 119.800 0.031 0.000 2.289 323 Q HA 0.300 4.645 4.340 0.008 0.000 0.273 323 Q C -2.501 173.526 176.000 0.045 0.000 1.029 323 Q CA -1.911 53.913 55.803 0.035 0.000 0.896 323 Q CB 0.586 29.351 28.738 0.045 0.000 1.182 323 Q HN 0.224 nan 8.270 nan 0.000 0.385 324 P HA 0.098 nan 4.420 nan 0.000 0.271 324 P C -1.123 176.215 177.300 0.064 0.000 1.233 324 P CA 0.285 63.411 63.100 0.043 0.000 0.764 324 P CB 0.478 32.198 31.700 0.034 0.000 0.825 325 L N 3.437 124.699 121.223 0.066 0.000 2.354 325 L HA 0.449 4.794 4.340 0.008 0.000 0.264 325 L C 0.447 177.347 176.870 0.051 0.000 1.008 325 L CA -0.757 54.128 54.840 0.075 0.000 0.819 325 L CB 2.248 44.357 42.059 0.084 0.000 1.339 325 L HN 0.256 nan 8.230 nan 0.000 0.420 326 N N 1.199 119.924 118.700 0.042 0.000 2.469 326 N HA 0.420 5.165 4.740 0.008 0.000 0.253 326 N C -1.123 174.384 175.510 -0.004 0.000 0.970 326 N CA -0.798 52.277 53.050 0.043 0.000 0.940 326 N CB 1.260 39.801 38.487 0.090 0.000 1.128 326 N HN 0.373 nan 8.380 nan 0.000 0.503 327 R N 2.580 123.072 120.500 -0.012 0.000 2.229 327 R HA 0.508 4.853 4.340 0.008 0.000 0.328 327 R C -0.591 175.663 176.300 -0.076 0.000 1.009 327 R CA -0.121 55.950 56.100 -0.049 0.000 0.864 327 R CB 0.975 31.255 30.300 -0.033 0.000 1.085 327 R HN 0.458 nan 8.270 nan 0.000 0.453 328 I N 2.015 122.487 120.570 -0.163 0.000 2.545 328 I HA 0.445 4.620 4.170 0.008 0.000 0.292 328 I C -0.400 175.420 176.117 -0.495 0.000 1.040 328 I CA -1.166 59.986 61.300 -0.247 0.000 1.068 328 I CB 2.050 39.942 38.000 -0.181 0.000 1.251 328 I HN 0.285 nan 8.210 nan 0.000 0.424 329 R N 5.406 125.657 120.500 -0.416 0.000 2.310 329 R HA 0.544 4.888 4.340 0.008 0.000 0.324 329 R C -1.611 174.385 176.300 -0.508 0.000 0.955 329 R CA -0.577 55.239 56.100 -0.475 0.000 0.830 329 R CB 0.333 30.454 30.300 -0.298 0.000 1.154 329 R HN 0.269 nan 8.270 nan 0.000 0.458 330 F N 2.276 121.980 119.950 -0.410 0.000 2.380 330 F HA 0.487 5.019 4.527 0.008 0.000 0.325 330 F C 1.014 176.390 175.800 -0.707 0.000 1.136 330 F CA -0.645 56.926 58.000 -0.716 0.000 1.171 330 F CB 0.673 39.519 39.000 -0.257 0.000 1.230 330 F HN 0.304 nan 8.300 nan 0.000 0.554 331 R N 1.438 121.433 120.500 -0.840 0.000 2.275 331 R HA 0.591 4.936 4.340 0.008 0.000 0.326 331 R C -1.971 174.423 176.300 0.157 0.000 0.973 331 R CA -0.326 55.519 56.100 -0.425 0.000 0.854 331 R CB 0.700 30.605 30.300 -0.658 0.000 1.156 331 R HN 0.543 nan 8.270 nan 0.000 0.487 332 V N 4.774 124.923 119.914 0.392 0.000 2.407 332 V HA 0.756 4.881 4.120 0.008 0.000 0.278 332 V C 0.842 177.324 176.094 0.646 0.000 1.037 332 V CA 0.439 63.109 62.300 0.616 0.000 0.900 332 V CB 0.982 33.099 31.823 0.489 0.000 0.983 332 V HN 1.095 nan 8.190 nan 0.000 0.459 333 G N 5.218 114.389 108.800 0.619 0.000 2.247 333 G HA2 0.231 4.196 3.960 0.008 0.000 0.229 333 G HA3 0.231 4.196 3.960 0.008 0.000 0.229 333 G C -0.926 173.617 174.900 -0.595 0.000 1.345 333 G CA -0.254 44.923 45.100 0.128 0.000 1.100 333 G HN 1.052 nan 8.290 nan 0.000 0.473 334 R N -0.781 119.061 120.500 -1.096 0.000 2.716 334 R HA 0.610 4.955 4.340 0.008 0.000 0.271 334 R C -1.049 174.757 176.300 -0.823 0.000 1.028 334 R CA -1.058 54.494 56.100 -0.914 0.000 0.883 334 R CB 0.533 30.249 30.300 -0.974 0.000 1.250 334 R HN 0.469 nan 8.270 nan 0.000 0.465 335 N N 1.043 119.557 118.700 -0.309 0.000 2.453 335 N HA 0.028 4.772 4.740 0.008 0.000 0.253 335 N C 0.563 175.988 175.510 -0.142 0.000 1.252 335 N CA -0.134 52.849 53.050 -0.111 0.000 0.917 335 N CB 0.939 39.463 38.487 0.061 0.000 1.117 335 N HN 0.635 nan 8.380 nan 0.000 0.442 336 R N 1.173 121.624 120.500 -0.082 0.000 2.091 336 R HA -0.076 4.269 4.340 0.008 0.000 0.238 336 R C -0.176 176.104 176.300 -0.034 0.000 1.136 336 R CA 1.463 57.527 56.100 -0.060 0.000 0.959 336 R CB 0.274 30.558 30.300 -0.026 0.000 0.856 336 R HN 0.498 nan 8.270 nan 0.000 0.437 337 R N -1.701 118.799 120.500 -0.001 0.000 2.538 337 R HA 0.311 4.656 4.340 0.008 0.000 0.292 337 R C 0.022 176.374 176.300 0.088 0.000 1.008 337 R CA 0.015 56.135 56.100 0.034 0.000 0.896 337 R CB 1.892 32.212 30.300 0.032 0.000 1.187 337 R HN 0.102 nan 8.270 nan 0.000 0.440 338 A N 2.997 125.897 122.820 0.133 0.000 1.930 338 A HA -0.085 4.240 4.320 0.008 0.000 0.217 338 A C 0.046 177.834 177.584 0.339 0.000 1.175 338 A CA 1.034 53.201 52.037 0.216 0.000 0.627 338 A CB 0.022 19.168 19.000 0.244 0.000 0.815 338 A HN 0.672 nan 8.150 nan 0.000 0.443 339 W N -0.038 121.344 121.300 0.138 0.000 2.619 339 W HA 0.561 5.226 4.660 0.008 0.000 0.327 339 W C -1.889 174.629 176.519 -0.001 0.000 1.027 339 W CA -1.699 55.659 57.345 0.021 0.000 1.233 339 W CB 1.247 30.647 29.460 -0.100 0.000 1.370 339 W HN -0.069 nan 8.180 nan 0.000 0.453 340 V N 7.666 127.809 119.914 0.382 0.000 2.638 340 V HA 0.765 4.890 4.120 0.008 0.000 0.306 340 V C 0.802 177.003 176.094 0.179 0.000 1.052 340 V CA 0.048 62.431 62.300 0.139 0.000 0.885 340 V CB 0.855 32.727 31.823 0.081 0.000 0.999 340 V HN 1.085 nan 8.190 nan 0.000 0.424 341 G N 4.852 113.685 108.800 0.056 0.000 2.596 341 G HA2 -0.320 3.644 3.960 0.008 0.000 0.304 341 G HA3 -0.320 3.644 3.960 0.008 0.000 0.304 341 G C 0.434 175.487 174.900 0.254 0.000 1.189 341 G CA 0.724 45.875 45.100 0.085 0.000 0.986 341 G HN 1.292 nan 8.290 nan 0.000 0.548 342 N N 0.296 119.125 118.700 0.214 0.000 2.321 342 N HA 0.312 5.057 4.740 0.008 0.000 0.242 342 N C -0.125 175.489 175.510 0.173 0.000 1.141 342 N CA 0.619 53.816 53.050 0.246 0.000 0.864 342 N CB 0.067 38.673 38.487 0.199 0.000 1.100 342 N HN 0.882 nan 8.380 nan 0.000 0.510 343 C N 1.186 120.584 119.300 0.164 0.000 2.293 343 C HA 0.630 5.095 4.460 0.008 0.000 0.323 343 C C -0.550 174.422 174.990 -0.030 0.000 1.240 343 C CA -0.402 58.650 59.018 0.057 0.000 1.497 343 C CB -0.353 27.413 27.740 0.044 0.000 2.171 343 C HN 0.196 nan 8.230 nan 0.000 0.465 344 V N 6.895 126.646 119.914 -0.271 0.000 2.370 344 V HA 0.501 4.625 4.120 0.008 0.000 0.283 344 V C 0.437 176.447 176.094 -0.141 0.000 1.023 344 V CA -0.191 61.880 62.300 -0.381 0.000 0.857 344 V CB 1.687 33.006 31.823 -0.839 0.000 0.985 344 V HN 0.967 nan 8.190 nan 0.000 0.443 345 S N 6.260 121.958 115.700 -0.003 0.000 2.499 345 S HA 0.734 5.209 4.470 0.008 0.000 0.279 345 S C -0.681 173.940 174.600 0.035 0.000 1.219 345 S CA -0.614 57.599 58.200 0.023 0.000 1.062 345 S CB 1.002 64.241 63.200 0.066 0.000 0.978 345 S HN 0.452 nan 8.310 nan 0.000 0.489 346 I N 2.627 123.194 120.570 -0.004 0.000 2.499 346 I HA 0.717 4.892 4.170 0.008 0.000 0.288 346 I C 0.907 177.015 176.117 -0.014 0.000 1.048 346 I CA 0.339 61.635 61.300 -0.008 0.000 1.062 346 I CB 0.773 38.745 38.000 -0.047 0.000 1.238 346 I HN 1.156 nan 8.210 nan 0.000 0.426 347 G N 4.884 113.689 108.800 0.009 0.000 2.482 347 G HA2 -0.237 3.728 3.960 0.008 0.000 0.214 347 G HA3 -0.237 3.728 3.960 0.008 0.000 0.214 347 G C 0.614 175.548 174.900 0.057 0.000 1.271 347 G CA 0.094 45.206 45.100 0.020 0.000 0.944 347 G HN 0.737 nan 8.290 nan 0.000 0.568 348 T N -1.176 113.372 114.554 -0.009 0.000 3.072 348 T HA 0.096 4.451 4.350 0.008 0.000 0.266 348 T C 2.546 177.253 174.700 0.013 0.000 1.127 348 T CA 2.321 64.403 62.100 -0.031 0.000 1.107 348 T CB -0.428 68.124 68.868 -0.526 0.000 0.910 348 T HN 1.866 nan 8.240 nan 0.000 0.513 349 S N 1.025 116.720 115.700 -0.008 0.000 2.453 349 S HA -0.039 4.436 4.470 0.008 0.000 0.231 349 S C 2.202 176.864 174.600 0.104 0.000 1.005 349 S CA 0.891 59.110 58.200 0.032 0.000 0.949 349 S CB -0.491 62.709 63.200 0.001 0.000 0.774 349 S HN 0.531 nan 8.310 nan 0.000 0.510 350 S N 0.520 116.279 115.700 0.098 0.000 2.355 350 S HA 0.198 4.673 4.470 0.008 0.000 0.216 350 S C 0.828 175.480 174.600 0.086 0.000 1.037 350 S CA 0.620 58.874 58.200 0.089 0.000 0.955 350 S CB -0.487 62.739 63.200 0.043 0.000 0.877 350 S HN 1.008 nan 8.310 nan 0.000 0.488 351 C N -1.030 118.332 119.300 0.103 0.000 3.312 351 C HA 0.868 5.333 4.460 0.008 0.000 0.332 351 C C -1.312 173.916 174.990 0.396 0.000 1.340 351 C CA -1.557 57.474 59.018 0.022 0.000 1.265 351 C CB 0.434 27.850 27.740 -0.539 0.000 1.563 351 C HN 0.502 nan 8.230 nan 0.000 0.471 352 F N 0.593 120.753 119.950 0.350 0.000 2.672 352 F HA 0.725 5.256 4.527 0.008 0.000 0.311 352 F C -1.459 174.735 175.800 0.657 0.000 1.113 352 F CA -0.489 57.835 58.000 0.540 0.000 0.996 352 F CB 1.468 40.792 39.000 0.540 0.000 1.286 352 F HN 0.939 nan 8.300 nan 0.000 0.441 353 V N 5.389 125.051 119.914 -0.419 0.000 2.971 353 V HA 0.395 4.520 4.120 0.008 0.000 0.309 353 V C -1.122 174.440 176.094 -0.888 0.000 1.130 353 V CA -0.633 61.498 62.300 -0.281 0.000 0.964 353 V CB 2.126 33.985 31.823 0.059 0.000 1.029 353 V HN 0.864 nan 8.190 nan 0.000 0.427 354 E N 6.855 126.842 120.200 -0.355 0.000 2.481 354 E HA 0.040 4.395 4.350 0.008 0.000 0.263 354 E C -2.018 174.595 176.600 0.022 0.000 0.992 354 E CA -0.867 55.478 56.400 -0.092 0.000 0.938 354 E CB 0.334 30.300 29.700 0.443 0.000 0.933 354 E HN 0.543 nan 8.360 nan 0.000 0.453 355 P HA -0.070 nan 4.420 nan 0.000 0.285 355 P C 0.791 178.295 177.300 0.341 0.000 1.521 355 P CA 0.026 63.225 63.100 0.165 0.000 0.792 355 P CB -0.039 31.680 31.700 0.031 0.000 1.613 356 L N 0.354 121.733 121.223 0.261 0.000 2.191 356 L HA -0.054 4.291 4.340 0.008 0.000 0.212 356 L C 1.440 178.208 176.870 -0.169 0.000 1.103 356 L CA 1.961 56.641 54.840 -0.266 0.000 0.769 356 L CB -0.506 41.249 42.059 -0.507 0.000 0.908 356 L HN -0.094 nan 8.230 nan 0.000 0.438 357 E N -0.739 119.452 120.200 -0.014 0.000 2.789 357 E HA 0.225 4.580 4.350 0.008 0.000 0.208 357 E C -0.001 176.725 176.600 0.211 0.000 0.988 357 E CA 0.255 56.742 56.400 0.144 0.000 1.092 357 E CB 0.298 30.140 29.700 0.237 0.000 1.066 357 E HN 0.285 nan 8.360 nan 0.000 0.465 358 S N 0.465 116.236 115.700 0.119 0.000 3.524 358 S HA -0.164 4.311 4.470 0.008 0.000 0.377 358 S C 1.012 175.664 174.600 0.085 0.000 0.949 358 S CA 1.169 59.429 58.200 0.099 0.000 1.264 358 S CB -1.811 61.483 63.200 0.158 0.000 0.918 358 S HN 0.504 nan 8.310 nan 0.000 0.517 359 T N -3.261 111.262 114.554 -0.051 0.000 3.044 359 T HA 0.393 4.748 4.350 0.008 0.000 0.260 359 T C 1.916 176.314 174.700 -0.502 0.000 1.019 359 T CA 0.578 62.530 62.100 -0.247 0.000 0.921 359 T CB 0.366 68.945 68.868 -0.481 0.000 1.053 359 T HN 0.568 nan 8.240 nan 0.000 0.533 360 G N 2.670 111.303 108.800 -0.278 0.000 2.514 360 G HA2 -0.135 3.830 3.960 0.008 0.000 0.217 360 G HA3 -0.135 3.830 3.960 0.008 0.000 0.217 360 G C 1.346 176.196 174.900 -0.083 0.000 1.198 360 G CA 1.066 46.078 45.100 -0.147 0.000 0.780 360 G HN 0.551 nan 8.290 nan 0.000 0.565 361 I N -0.648 119.892 120.570 -0.049 0.000 2.439 361 I HA -0.083 4.092 4.170 0.008 0.000 0.251 361 I C 2.452 178.388 176.117 -0.301 0.000 1.139 361 I CA 0.864 62.130 61.300 -0.058 0.000 1.438 361 I CB -0.261 37.795 38.000 0.095 0.000 1.085 361 I HN 0.261 nan 8.210 nan 0.000 0.427 362 Y N 1.715 121.749 120.300 -0.444 0.000 2.128 362 Y HA -0.312 4.243 4.550 0.008 0.000 0.284 362 Y C 2.234 177.775 175.900 -0.598 0.000 1.154 362 Y CA 1.531 59.124 58.100 -0.846 0.000 1.149 362 Y CB -0.551 37.699 38.460 -0.350 0.000 0.976 362 Y HN 0.003 nan 8.280 nan 0.000 0.505 363 F N -0.507 119.124 119.950 -0.531 0.000 2.202 363 F HA -0.210 4.322 4.527 0.008 0.000 0.301 363 F C 2.454 177.995 175.800 -0.432 0.000 1.082 363 F CA 1.026 58.751 58.000 -0.458 0.000 1.313 363 F CB -1.343 37.594 39.000 -0.105 0.000 1.024 363 F HN 0.010 nan 8.300 nan 0.000 0.495 364 V N -0.216 119.567 119.914 -0.219 0.000 2.255 364 V HA -0.295 3.830 4.120 0.008 0.000 0.243 364 V C 2.264 178.187 176.094 -0.286 0.000 1.038 364 V CA 2.098 64.274 62.300 -0.205 0.000 1.008 364 V CB -1.188 30.533 31.823 -0.170 0.000 0.645 364 V HN 0.420 nan 8.190 nan 0.000 0.449 365 Y N 0.938 121.034 120.300 -0.340 0.000 2.439 365 Y HA 0.262 4.818 4.550 0.009 0.000 0.292 365 Y C 2.262 177.882 175.900 -0.467 0.000 1.130 365 Y CA 0.705 58.551 58.100 -0.423 0.000 1.254 365 Y CB -1.256 36.981 38.460 -0.373 0.000 1.000 365 Y HN 0.073 nan 8.280 nan 0.000 0.554 366 A N 1.441 123.976 122.820 -0.475 0.000 1.898 366 A HA 0.037 4.362 4.320 0.008 0.000 0.216 366 A C 2.482 179.976 177.584 -0.150 0.000 1.181 366 A CA 1.731 53.628 52.037 -0.232 0.000 0.620 366 A CB -1.258 17.450 19.000 -0.485 0.000 0.819 366 A HN 0.596 nan 8.150 nan 0.000 0.442 367 A N -0.392 122.313 122.820 -0.192 0.000 1.929 367 A HA 0.065 4.390 4.320 0.008 0.000 0.216 367 A C 2.116 179.701 177.584 0.001 0.000 1.176 367 A CA 1.287 53.279 52.037 -0.074 0.000 0.628 367 A CB -0.505 18.474 19.000 -0.035 0.000 0.816 367 A HN 0.453 nan 8.150 nan 0.000 0.444 368 L N -2.071 119.024 121.223 -0.212 0.000 2.093 368 L HA -0.153 4.192 4.340 0.008 0.000 0.208 368 L C 2.547 179.115 176.870 -0.503 0.000 1.085 368 L CA 1.524 56.126 54.840 -0.397 0.000 0.755 368 L CB -0.569 41.073 42.059 -0.696 0.000 0.904 368 L HN 0.617 nan 8.230 nan 0.000 0.435 369 Y N 0.636 120.560 120.300 -0.626 0.000 2.200 369 Y HA -0.245 4.310 4.550 0.008 0.000 0.290 369 Y C 2.710 178.562 175.900 -0.080 0.000 1.137 369 Y CA 1.437 59.300 58.100 -0.395 0.000 1.163 369 Y CB -0.031 38.152 38.460 -0.462 0.000 0.988 369 Y HN 0.128 nan 8.280 nan 0.000 0.518 370 Q N -0.057 119.820 119.800 0.128 0.000 2.167 370 Q HA -0.140 4.205 4.340 0.008 0.000 0.202 370 Q C 2.309 178.615 176.000 0.509 0.000 0.970 370 Q CA 1.342 57.299 55.803 0.256 0.000 0.855 370 Q CB -0.680 28.083 28.738 0.042 0.000 0.911 370 Q HN 0.544 nan 8.270 nan 0.000 0.438 371 L N 0.055 121.517 121.223 0.398 0.000 2.027 371 L HA -0.103 4.242 4.340 0.008 0.000 0.206 371 L C 2.158 179.164 176.870 0.227 0.000 1.074 371 L CA 1.399 56.332 54.840 0.155 0.000 0.745 371 L CB -0.726 41.270 42.059 -0.105 0.000 0.898 371 L HN -0.073 nan 8.230 nan 0.000 0.433 372 V N 0.127 120.128 119.914 0.144 0.000 2.407 372 V HA -0.298 3.827 4.120 0.008 0.000 0.248 372 V C 2.684 178.819 176.094 0.069 0.000 1.055 372 V CA 2.060 64.427 62.300 0.112 0.000 1.049 372 V CB -0.748 31.079 31.823 0.006 0.000 0.662 372 V HN 0.553 nan 8.190 nan 0.000 0.455 373 K N -0.210 120.159 120.400 -0.053 0.000 2.097 373 K HA -0.194 4.131 4.320 0.008 0.000 0.206 373 K C 1.326 177.856 176.600 -0.116 0.000 1.049 373 K CA 1.758 57.950 56.287 -0.158 0.000 0.933 373 K CB -0.094 32.243 32.500 -0.273 0.000 0.717 373 K HN 0.613 nan 8.250 nan 0.000 0.442 374 H N -1.206 117.965 119.070 0.168 0.000 2.488 374 H HA 0.160 4.721 4.556 0.008 0.000 0.294 374 H C -0.991 174.487 175.328 0.251 0.000 1.088 374 H CA -0.623 55.561 56.048 0.228 0.000 1.086 374 H CB -0.287 29.684 29.762 0.348 0.000 1.569 374 H HN 0.012 nan 8.280 nan 0.000 0.548 375 F N 4.306 124.336 119.950 0.133 0.000 2.578 375 F HA 0.118 4.650 4.527 0.009 0.000 0.376 375 F C -1.739 174.136 175.800 0.125 0.000 1.085 375 F CA -1.925 56.124 58.000 0.082 0.000 1.260 375 F CB 0.647 39.652 39.000 0.007 0.000 1.095 375 F HN 0.169 nan 8.300 nan 0.000 0.573 376 P HA 0.329 nan 4.420 nan 0.000 0.289 376 P C -1.659 175.598 177.300 -0.070 0.000 1.300 376 P CA -0.515 62.549 63.100 -0.060 0.000 0.828 376 P CB 1.905 33.620 31.700 0.025 0.000 1.235 377 D N -1.652 118.752 120.400 0.006 0.000 2.666 377 D HA 0.249 4.894 4.640 0.008 0.000 0.252 377 D C 0.895 177.201 176.300 0.010 0.000 1.143 377 D CA -0.702 53.317 54.000 0.032 0.000 1.096 377 D CB 0.444 41.274 40.800 0.050 0.000 1.260 377 D HN 0.136 nan 8.370 nan 0.000 0.633 378 K N -0.544 119.869 120.400 0.021 0.000 2.360 378 K HA -0.081 4.244 4.320 0.008 0.000 0.201 378 K C 1.712 178.324 176.600 0.020 0.000 1.046 378 K CA 1.268 57.567 56.287 0.020 0.000 0.945 378 K CB -0.275 32.239 32.500 0.024 0.000 0.750 378 K HN 0.479 nan 8.250 nan 0.000 0.464 379 S N 0.872 116.581 115.700 0.016 0.000 2.522 379 S HA -0.008 4.467 4.470 0.008 0.000 0.227 379 S C 0.820 175.422 174.600 0.003 0.000 0.986 379 S CA -0.018 58.188 58.200 0.010 0.000 0.929 379 S CB -0.590 62.614 63.200 0.007 0.000 0.769 379 S HN 0.337 nan 8.310 nan 0.000 0.529 380 L N 1.718 122.947 121.223 0.010 0.000 3.823 380 L HA -0.160 4.184 4.340 0.008 0.000 0.525 380 L C 0.156 176.996 176.870 -0.050 0.000 1.247 380 L CA 0.002 54.845 54.840 0.006 0.000 0.776 380 L CB -2.091 39.984 42.059 0.026 0.000 1.443 380 L HN 0.457 nan 8.230 nan 0.000 0.831 381 N N 3.036 121.712 118.700 -0.041 0.000 2.374 381 N HA -0.007 4.738 4.740 0.008 0.000 0.269 381 N C -0.651 174.784 175.510 -0.124 0.000 1.310 381 N CA -0.678 52.338 53.050 -0.057 0.000 0.877 381 N CB 0.980 39.452 38.487 -0.026 0.000 1.096 381 N HN 0.233 nan 8.380 nan 0.000 0.484 382 P HA -0.131 nan 4.420 nan 0.000 0.221 382 P C 1.261 178.456 177.300 -0.175 0.000 1.145 382 P CA 0.755 63.746 63.100 -0.182 0.000 0.795 382 P CB 0.390 32.016 31.700 -0.124 0.000 0.775 383 V N -0.021 119.830 119.914 -0.106 0.000 2.548 383 V HA -0.169 3.955 4.120 0.008 0.000 0.249 383 V C 2.760 178.828 176.094 -0.043 0.000 1.055 383 V CA 1.254 63.518 62.300 -0.060 0.000 1.065 383 V CB -0.997 30.816 31.823 -0.017 0.000 0.681 383 V HN 0.033 nan 8.190 nan 0.000 0.462 384 L N -0.320 120.865 121.223 -0.063 0.000 2.056 384 L HA -0.138 4.207 4.340 0.008 0.000 0.207 384 L C 2.648 179.411 176.870 -0.180 0.000 1.078 384 L CA 1.860 56.716 54.840 0.026 0.000 0.749 384 L CB -1.047 41.044 42.059 0.055 0.000 0.901 384 L HN 0.321 nan 8.230 nan 0.000 0.433 385 T N 0.043 114.232 114.554 -0.610 0.000 2.746 385 T HA -0.164 4.191 4.350 0.008 0.000 0.267 385 T C 2.025 176.493 174.700 -0.386 0.000 1.039 385 T CA 1.365 62.843 62.100 -1.036 0.000 1.142 385 T CB -0.245 67.856 68.868 -1.277 0.000 0.866 385 T HN 0.433 nan 8.240 nan 0.000 0.444 386 A N 1.869 124.545 122.820 -0.241 0.000 1.902 386 A HA -0.100 4.225 4.320 0.008 0.000 0.217 386 A C 2.408 179.958 177.584 -0.055 0.000 1.181 386 A CA 1.083 53.051 52.037 -0.115 0.000 0.623 386 A CB -0.345 18.603 19.000 -0.086 0.000 0.818 386 A HN 0.164 nan 8.150 nan 0.000 0.443 387 R N -1.411 119.075 120.500 -0.023 0.000 2.096 387 R HA -0.082 4.263 4.340 0.008 0.000 0.235 387 R C 1.878 178.077 176.300 -0.168 0.000 1.127 387 R CA 1.354 57.460 56.100 0.010 0.000 0.968 387 R CB -1.292 29.133 30.300 0.208 0.000 0.861 387 R HN 0.644 nan 8.270 nan 0.000 0.440 388 F N 2.548 122.239 119.950 -0.431 0.000 2.075 388 F HA -0.197 4.335 4.527 0.008 0.000 0.297 388 F C 1.841 177.554 175.800 -0.146 0.000 1.113 388 F CA 1.534 59.276 58.000 -0.430 0.000 1.218 388 F CB -0.328 38.651 39.000 -0.036 0.000 0.984 388 F HN -0.012 nan 8.300 nan 0.000 0.472 389 N N 0.538 119.262 118.700 0.040 0.000 2.205 389 N HA -0.211 4.534 4.740 0.008 0.000 0.186 389 N C 2.067 177.517 175.510 -0.101 0.000 1.015 389 N CA 1.281 54.319 53.050 -0.019 0.000 0.862 389 N CB -0.583 37.928 38.487 0.041 0.000 0.986 389 N HN 0.403 nan 8.380 nan 0.000 0.429 390 R N 1.189 121.641 120.500 -0.081 0.000 2.075 390 R HA -0.070 4.275 4.340 0.008 0.000 0.232 390 R C 1.427 177.699 176.300 -0.046 0.000 1.126 390 R CA 1.041 57.114 56.100 -0.044 0.000 0.963 390 R CB 0.143 30.438 30.300 -0.008 0.000 0.858 390 R HN 0.103 nan 8.270 nan 0.000 0.435 391 E N 0.810 120.957 120.200 -0.087 0.000 2.058 391 E HA -0.196 4.159 4.350 0.008 0.000 0.194 391 E C 2.048 178.639 176.600 -0.015 0.000 0.997 391 E CA 0.988 57.393 56.400 0.009 0.000 0.801 391 E CB -0.179 29.474 29.700 -0.078 0.000 0.746 391 E HN 0.358 nan 8.360 nan 0.000 0.450 392 I N 1.311 121.731 120.570 -0.250 0.000 2.252 392 I HA -0.214 3.961 4.170 0.008 0.000 0.245 392 I C 2.523 178.563 176.117 -0.128 0.000 1.102 392 I CA 1.073 62.220 61.300 -0.255 0.000 1.385 392 I CB -1.173 36.593 38.000 -0.391 0.000 1.064 392 I HN 0.236 nan 8.210 nan 0.000 0.414 393 E N 1.081 121.228 120.200 -0.088 0.000 2.058 393 E HA -0.259 4.096 4.350 0.008 0.000 0.194 393 E C 2.113 178.732 176.600 0.030 0.000 0.997 393 E CA 2.571 58.961 56.400 -0.018 0.000 0.801 393 E CB 0.045 29.732 29.700 -0.022 0.000 0.746 393 E HN 0.585 nan 8.360 nan 0.000 0.450 394 T N -0.885 113.674 114.554 0.008 0.000 2.896 394 T HA -0.141 4.214 4.350 0.008 0.000 0.263 394 T C 2.050 176.742 174.700 -0.014 0.000 1.050 394 T CA 1.131 63.239 62.100 0.012 0.000 1.140 394 T CB -0.335 68.538 68.868 0.009 0.000 0.877 394 T HN 0.226 nan 8.240 nan 0.000 0.457 395 M N -0.132 119.430 119.600 -0.065 0.000 2.080 395 M HA -0.019 4.466 4.480 0.008 0.000 0.260 395 M C 2.059 178.340 176.300 -0.032 0.000 1.068 395 M CA 1.878 57.095 55.300 -0.139 0.000 1.109 395 M CB -0.380 32.131 32.600 -0.149 0.000 1.342 395 M HN 0.298 nan 8.290 nan 0.000 0.405 396 F N 1.418 121.229 119.950 -0.233 0.000 2.074 396 F HA -0.195 4.337 4.527 0.008 0.000 0.293 396 F C 1.771 177.598 175.800 0.044 0.000 1.116 396 F CA 2.056 59.941 58.000 -0.192 0.000 1.212 396 F CB -0.548 38.289 39.000 -0.273 0.000 0.998 396 F HN 0.224 nan 8.300 nan 0.000 0.471 397 D N 0.365 120.800 120.400 0.057 0.000 2.149 397 D HA -0.185 4.459 4.640 0.008 0.000 0.198 397 D C 1.818 178.100 176.300 -0.030 0.000 0.990 397 D CA 1.532 55.519 54.000 -0.021 0.000 0.839 397 D CB -0.574 40.261 40.800 0.058 0.000 0.948 397 D HN 0.342 nan 8.370 nan 0.000 0.460 398 D N -0.384 120.062 120.400 0.077 0.000 2.144 398 D HA -0.071 4.574 4.640 0.008 0.000 0.200 398 D C 1.926 178.410 176.300 0.307 0.000 0.978 398 D CA 0.991 55.116 54.000 0.208 0.000 0.833 398 D CB -0.275 40.700 40.800 0.292 0.000 0.961 398 D HN 0.156 nan 8.370 nan 0.000 0.470 399 T N 0.258 115.026 114.554 0.358 0.000 2.857 399 T HA -0.093 4.262 4.350 0.008 0.000 0.266 399 T C 1.884 176.623 174.700 0.065 0.000 1.048 399 T CA 0.574 62.952 62.100 0.462 0.000 1.139 399 T CB 0.169 69.452 68.868 0.691 0.000 0.874 399 T HN 0.130 nan 8.240 nan 0.000 0.455 400 R N 1.200 121.579 120.500 -0.201 0.000 2.083 400 R HA -0.162 4.183 4.340 0.008 0.000 0.237 400 R C 1.691 177.936 176.300 -0.092 0.000 1.137 400 R CA 2.031 57.981 56.100 -0.250 0.000 0.951 400 R CB -0.358 29.708 30.300 -0.390 0.000 0.851 400 R HN 0.266 nan 8.270 nan 0.000 0.434 401 D N -0.009 120.348 120.400 -0.073 0.000 2.097 401 D HA -0.175 4.470 4.640 0.008 0.000 0.195 401 D C 1.626 177.958 176.300 0.052 0.000 0.989 401 D CA 1.034 55.013 54.000 -0.034 0.000 0.827 401 D CB -0.467 40.328 40.800 -0.008 0.000 0.966 401 D HN 0.189 nan 8.370 nan 0.000 0.456 402 F N 1.429 121.293 119.950 -0.142 0.000 2.095 402 F HA -0.122 4.410 4.527 0.009 0.000 0.298 402 F C 2.183 177.910 175.800 -0.122 0.000 1.104 402 F CA 0.967 58.807 58.000 -0.266 0.000 1.232 402 F CB -0.411 38.081 39.000 -0.847 0.000 0.987 402 F HN -0.119 nan 8.300 nan 0.000 0.475 403 I N -0.001 120.445 120.570 -0.207 0.000 2.179 403 I HA -0.336 3.839 4.170 0.008 0.000 0.242 403 I C 2.569 178.698 176.117 0.020 0.000 1.088 403 I CA 1.731 62.846 61.300 -0.309 0.000 1.357 403 I CB -0.712 37.210 38.000 -0.130 0.000 1.051 403 I HN 0.251 nan 8.210 nan 0.000 0.409 404 Q N 1.371 121.244 119.800 0.121 0.000 2.152 404 Q HA -0.260 4.084 4.340 0.008 0.000 0.206 404 Q C 2.245 178.387 176.000 0.235 0.000 0.985 404 Q CA 2.092 58.040 55.803 0.242 0.000 0.863 404 Q CB -0.165 28.654 28.738 0.135 0.000 0.904 404 Q HN 0.536 nan 8.270 nan 0.000 0.422 405 A N 0.048 122.936 122.820 0.114 0.000 2.024 405 A HA -0.227 4.098 4.320 0.008 0.000 0.220 405 A C 1.473 179.116 177.584 0.097 0.000 1.164 405 A CA 1.715 53.843 52.037 0.151 0.000 0.643 405 A CB -0.848 18.211 19.000 0.098 0.000 0.806 405 A HN 0.585 nan 8.150 nan 0.000 0.451 406 H N -1.658 117.244 119.070 -0.281 0.000 2.387 406 H HA -0.060 4.501 4.556 0.008 0.000 0.299 406 H C 1.489 176.724 175.328 -0.155 0.000 1.090 406 H CA 2.041 57.794 56.048 -0.492 0.000 1.332 406 H CB -0.299 28.910 29.762 -0.921 0.000 1.386 406 H HN 0.618 nan 8.280 nan 0.000 0.516 407 F N -2.062 118.117 119.950 0.381 0.000 2.317 407 F HA -0.001 4.531 4.527 0.008 0.000 0.290 407 F C 2.211 178.150 175.800 0.232 0.000 1.075 407 F CA 0.325 58.580 58.000 0.425 0.000 1.380 407 F CB -0.791 38.340 39.000 0.219 0.000 1.093 407 F HN 0.040 nan 8.300 nan 0.000 0.524 408 Y N -0.296 120.077 120.300 0.122 0.000 2.207 408 Y HA -0.238 4.317 4.550 0.008 0.000 0.287 408 Y C 1.484 177.159 175.900 -0.375 0.000 1.156 408 Y CA 1.638 59.608 58.100 -0.217 0.000 1.182 408 Y CB -0.485 37.696 38.460 -0.466 0.000 0.979 408 Y HN -0.016 nan 8.280 nan 0.000 0.521 409 F N -0.636 119.410 119.950 0.161 0.000 2.693 409 F HA 0.211 4.743 4.527 0.008 0.000 0.303 409 F C 1.197 176.989 175.800 -0.014 0.000 1.097 409 F CA 0.043 58.051 58.000 0.013 0.000 1.330 409 F CB -0.425 38.547 39.000 -0.046 0.000 1.067 409 F HN -0.191 nan 8.300 nan 0.000 0.565 410 S N 2.695 118.510 115.700 0.191 0.000 2.564 410 S HA 0.126 4.601 4.470 0.008 0.000 0.278 410 S C -1.070 173.560 174.600 0.051 0.000 1.333 410 S CA -1.156 57.136 58.200 0.154 0.000 1.048 410 S CB 0.836 64.187 63.200 0.251 0.000 0.900 410 S HN 0.022 nan 8.310 nan 0.000 0.505 411 P HA 0.029 nan 4.420 nan 0.000 0.241 411 P C -0.158 177.103 177.300 -0.064 0.000 1.191 411 P CA 0.141 63.225 63.100 -0.027 0.000 0.771 411 P CB 0.092 31.778 31.700 -0.025 0.000 0.929 412 R N 0.627 121.040 120.500 -0.144 0.000 2.570 412 R HA 0.174 4.519 4.340 0.008 0.000 0.277 412 R C 1.080 177.366 176.300 -0.024 0.000 1.039 412 R CA 1.087 57.062 56.100 -0.208 0.000 1.065 412 R CB -0.162 29.735 30.300 -0.671 0.000 0.964 412 R HN 0.142 nan 8.270 nan 0.000 0.428 413 T N -3.437 111.116 114.554 -0.002 0.000 3.262 413 T HA -0.015 4.340 4.350 0.008 0.000 0.300 413 T C 0.669 175.413 174.700 0.073 0.000 0.959 413 T CA -0.364 61.768 62.100 0.053 0.000 0.936 413 T CB 0.135 69.012 68.868 0.016 0.000 1.169 413 T HN 0.647 nan 8.240 nan 0.000 0.532 414 D N 2.189 122.632 120.400 0.070 0.000 2.312 414 D HA -0.029 4.616 4.640 0.008 0.000 0.211 414 D C 0.937 177.322 176.300 0.142 0.000 0.964 414 D CA 0.822 54.870 54.000 0.081 0.000 0.877 414 D CB -0.145 40.676 40.800 0.034 0.000 0.924 414 D HN 0.614 nan 8.370 nan 0.000 0.515 415 T N -4.480 110.216 114.554 0.236 0.000 2.901 415 T HA 0.424 4.779 4.350 0.008 0.000 0.293 415 T C -2.448 172.339 174.700 0.146 0.000 1.084 415 T CA -1.722 60.509 62.100 0.218 0.000 1.008 415 T CB 2.416 71.463 68.868 0.299 0.000 1.170 415 T HN -0.418 nan 8.240 nan 0.000 0.509 416 P HA -0.012 nan 4.420 nan 0.000 0.216 416 P C 1.200 178.310 177.300 -0.318 0.000 1.150 416 P CA 0.610 63.750 63.100 0.066 0.000 0.837 416 P CB -0.108 31.767 31.700 0.293 0.000 0.786 417 F N -0.974 118.569 119.950 -0.679 0.000 2.046 417 F HA -0.177 4.355 4.527 0.008 0.000 0.297 417 F C 1.848 177.207 175.800 -0.735 0.000 1.123 417 F CA 1.513 58.800 58.000 -1.188 0.000 1.199 417 F CB -1.114 37.370 39.000 -0.860 0.000 0.972 417 F HN -0.122 nan 8.300 nan 0.000 0.474 418 W N 0.755 121.897 121.300 -0.264 0.000 2.374 418 W HA -0.077 4.587 4.660 0.008 0.000 0.288 418 W C 2.636 178.989 176.519 -0.275 0.000 1.218 418 W CA 1.293 58.480 57.345 -0.265 0.000 1.245 418 W CB -0.451 28.998 29.460 -0.018 0.000 1.126 418 W HN -0.108 nan 8.180 nan 0.000 0.545 419 R N -0.048 120.427 120.500 -0.042 0.000 2.075 419 R HA -0.069 4.276 4.340 0.008 0.000 0.232 419 R C 2.380 178.598 176.300 -0.137 0.000 1.126 419 R CA 1.393 57.459 56.100 -0.057 0.000 0.963 419 R CB -0.935 29.359 30.300 -0.009 0.000 0.858 419 R HN 0.156 nan 8.270 nan 0.000 0.435 420 A N 1.671 124.347 122.820 -0.240 0.000 1.933 420 A HA -0.173 4.152 4.320 0.008 0.000 0.218 420 A C 1.773 179.232 177.584 -0.209 0.000 1.175 420 A CA 1.307 53.239 52.037 -0.176 0.000 0.628 420 A CB -0.487 18.435 19.000 -0.130 0.000 0.814 420 A HN 0.269 nan 8.150 nan 0.000 0.444 421 N N 0.218 118.690 118.700 -0.380 0.000 2.137 421 N HA -0.159 4.586 4.740 0.008 0.000 0.190 421 N C 1.422 176.863 175.510 -0.115 0.000 1.017 421 N CA 1.546 54.432 53.050 -0.273 0.000 0.859 421 N CB -0.259 38.021 38.487 -0.346 0.000 1.002 421 N HN 0.603 nan 8.380 nan 0.000 0.428 422 K N 0.592 120.877 120.400 -0.191 0.000 2.439 422 K HA -0.002 4.323 4.320 0.008 0.000 0.197 422 K C 1.068 177.584 176.600 -0.140 0.000 1.041 422 K CA 0.554 56.649 56.287 -0.321 0.000 0.970 422 K CB 0.226 32.546 32.500 -0.299 0.000 0.773 422 K HN 0.089 nan 8.250 nan 0.000 0.479 423 E N 0.618 120.786 120.200 -0.053 0.000 2.442 423 E HA 0.082 4.437 4.350 0.008 0.000 0.195 423 E C 0.689 177.318 176.600 0.047 0.000 1.030 423 E CA 0.246 56.648 56.400 0.003 0.000 0.869 423 E CB 0.146 29.846 29.700 0.001 0.000 0.857 423 E HN 0.268 nan 8.360 nan 0.000 0.505 424 L N 1.125 122.391 121.223 0.072 0.000 2.475 424 L HA 0.241 4.586 4.340 0.008 0.000 0.253 424 L C 0.844 177.778 176.870 0.106 0.000 1.198 424 L CA -0.260 54.616 54.840 0.059 0.000 0.814 424 L CB 0.530 42.614 42.059 0.043 0.000 1.134 424 L HN -0.227 nan 8.230 nan 0.000 0.478 425 R N 1.203 121.711 120.500 0.013 0.000 2.604 425 R HA 0.566 4.911 4.340 0.008 0.000 0.287 425 R C -0.980 175.311 176.300 -0.014 0.000 0.970 425 R CA -0.940 55.158 56.100 -0.002 0.000 0.946 425 R CB 1.491 31.792 30.300 0.002 0.000 1.127 425 R HN 0.436 nan 8.270 nan 0.000 0.473 426 L N 1.829 122.960 121.223 -0.154 0.000 2.395 426 L HA 0.327 4.672 4.340 0.008 0.000 0.269 426 L C 0.846 177.730 176.870 0.023 0.000 1.133 426 L CA -0.518 54.237 54.840 -0.140 0.000 0.812 426 L CB 1.054 42.912 42.059 -0.336 0.000 1.125 426 L HN 0.691 nan 8.230 nan 0.000 0.452 427 A N 1.495 124.319 122.820 0.007 0.000 2.466 427 A HA 0.029 4.354 4.320 0.008 0.000 0.238 427 A C 0.862 178.440 177.584 -0.010 0.000 1.074 427 A CA -0.346 51.696 52.037 0.009 0.000 0.774 427 A CB 0.120 19.030 19.000 -0.149 0.000 1.015 427 A HN 0.868 nan 8.150 nan 0.000 0.498 428 D N 1.918 122.324 120.400 0.010 0.000 2.133 428 D HA -0.150 4.495 4.640 0.008 0.000 0.195 428 D C 1.993 178.287 176.300 -0.011 0.000 0.997 428 D CA 1.988 55.989 54.000 0.002 0.000 0.840 428 D CB -0.549 40.257 40.800 0.011 0.000 0.947 428 D HN 0.720 nan 8.370 nan 0.000 0.452 429 G N 0.487 109.279 108.800 -0.013 0.000 2.432 429 G HA2 -0.258 3.707 3.960 0.008 0.000 0.219 429 G HA3 -0.258 3.707 3.960 0.008 0.000 0.219 429 G C 1.570 176.454 174.900 -0.026 0.000 1.135 429 G CA 0.856 45.947 45.100 -0.014 0.000 0.767 429 G HN 0.154 nan 8.290 nan 0.000 0.550 430 M N 0.005 119.584 119.600 -0.036 0.000 2.193 430 M HA 0.121 4.605 4.480 0.008 0.000 0.265 430 M C 2.403 178.675 176.300 -0.047 0.000 1.071 430 M CA 1.422 56.698 55.300 -0.040 0.000 1.140 430 M CB -0.329 32.243 32.600 -0.048 0.000 1.369 430 M HN 0.236 nan 8.290 nan 0.000 0.423 431 Q N 0.494 120.270 119.800 -0.041 0.000 2.124 431 Q HA -0.224 4.121 4.340 0.008 0.000 0.202 431 Q C 1.923 177.909 176.000 -0.024 0.000 0.977 431 Q CA 2.339 58.128 55.803 -0.024 0.000 0.850 431 Q CB -0.391 28.337 28.738 -0.017 0.000 0.901 431 Q HN 0.737 nan 8.270 nan 0.000 0.429 432 E N -0.305 119.876 120.200 -0.032 0.000 2.072 432 E HA -0.198 4.157 4.350 0.008 0.000 0.191 432 E C 1.600 178.162 176.600 -0.062 0.000 0.985 432 E CA 1.079 57.458 56.400 -0.035 0.000 0.801 432 E CB 0.028 29.711 29.700 -0.027 0.000 0.750 432 E HN 0.325 nan 8.360 nan 0.000 0.452 433 K N 0.239 120.580 120.400 -0.099 0.000 2.097 433 K HA -0.118 4.207 4.320 0.008 0.000 0.206 433 K C 2.117 178.612 176.600 -0.174 0.000 1.049 433 K CA 1.085 57.263 56.287 -0.182 0.000 0.933 433 K CB -0.022 32.294 32.500 -0.307 0.000 0.717 433 K HN 0.236 nan 8.250 nan 0.000 0.442 434 I N 1.990 122.484 120.570 -0.127 0.000 2.315 434 I HA -0.222 3.953 4.170 0.008 0.000 0.248 434 I C 1.601 177.693 176.117 -0.042 0.000 1.117 434 I CA 1.489 62.727 61.300 -0.102 0.000 1.404 434 I CB -1.000 36.993 38.000 -0.010 0.000 1.071 434 I HN 0.150 nan 8.210 nan 0.000 0.419 435 D N 0.607 120.988 120.400 -0.032 0.000 2.117 435 D HA -0.172 4.473 4.640 0.008 0.000 0.197 435 D C 2.372 178.644 176.300 -0.046 0.000 0.987 435 D CA 1.230 55.214 54.000 -0.028 0.000 0.829 435 D CB -0.143 40.646 40.800 -0.019 0.000 0.961 435 D HN 0.295 nan 8.370 nan 0.000 0.460 436 M N -0.703 118.867 119.600 -0.050 0.000 2.132 436 M HA -0.172 4.313 4.480 0.008 0.000 0.263 436 M C 2.199 178.461 176.300 -0.064 0.000 1.065 436 M CA 1.102 56.372 55.300 -0.051 0.000 1.122 436 M CB -0.351 32.219 32.600 -0.049 0.000 1.365 436 M HN 0.033 nan 8.290 nan 0.000 0.411 437 Y N 1.221 121.382 120.300 -0.231 0.000 2.128 437 Y HA -0.227 4.327 4.550 0.008 0.000 0.284 437 Y C 2.366 178.074 175.900 -0.320 0.000 1.154 437 Y CA 1.782 59.691 58.100 -0.318 0.000 1.149 437 Y CB -0.227 37.969 38.460 -0.441 0.000 0.976 437 Y HN 0.042 nan 8.280 nan 0.000 0.505 438 R N -0.183 120.192 120.500 -0.207 0.000 2.152 438 R HA -0.096 4.248 4.340 0.008 0.000 0.232 438 R C 2.073 178.219 176.300 -0.256 0.000 1.117 438 R CA 0.937 56.873 56.100 -0.272 0.000 0.981 438 R CB -0.482 29.745 30.300 -0.121 0.000 0.870 438 R HN 0.410 nan 8.270 nan 0.000 0.451 439 A N -0.023 122.686 122.820 -0.185 0.000 2.259 439 A HA 0.220 4.545 4.320 0.008 0.000 0.208 439 A C 1.331 178.815 177.584 -0.166 0.000 1.201 439 A CA 0.721 52.674 52.037 -0.139 0.000 0.824 439 A CB -0.092 18.859 19.000 -0.081 0.000 0.838 439 A HN 0.448 nan 8.150 nan 0.000 0.485 440 G N -1.477 107.156 108.800 -0.278 0.000 2.159 440 G HA2 -0.267 3.698 3.960 0.008 0.000 0.256 440 G HA3 -0.267 3.698 3.960 0.008 0.000 0.256 440 G C 0.211 174.990 174.900 -0.201 0.000 0.977 440 G CA 0.465 45.382 45.100 -0.305 0.000 0.652 440 G HN 0.435 nan 8.290 nan 0.000 0.531 441 M N 0.768 120.315 119.600 -0.090 0.000 2.247 441 M HA 0.595 5.080 4.480 0.008 0.000 0.326 441 M C 0.930 177.344 176.300 0.190 0.000 1.134 441 M CA 0.135 55.483 55.300 0.081 0.000 1.136 441 M CB 1.162 33.784 32.600 0.037 0.000 1.454 441 M HN 0.411 nan 8.290 nan 0.000 0.467 442 A N 2.499 125.519 122.820 0.333 0.000 2.351 442 A HA 0.570 4.895 4.320 0.008 0.000 0.257 442 A C -0.405 177.284 177.584 0.175 0.000 1.087 442 A CA -0.502 51.740 52.037 0.342 0.000 0.798 442 A CB 0.281 19.407 19.000 0.209 0.000 1.033 442 A HN 0.669 nan 8.150 nan 0.000 0.488 443 I N 2.679 123.344 120.570 0.159 0.000 2.328 443 I HA 0.192 4.366 4.170 0.008 0.000 0.287 443 I C -0.254 175.928 176.117 0.108 0.000 1.012 443 I CA -0.227 61.076 61.300 0.006 0.000 1.195 443 I CB 0.180 37.988 38.000 -0.320 0.000 1.350 443 I HN 0.745 nan 8.210 nan 0.000 0.464 444 N N 3.560 122.315 118.700 0.092 0.000 2.714 444 N HA -0.187 4.558 4.740 0.008 0.000 0.253 444 N C 0.229 175.826 175.510 0.145 0.000 1.024 444 N CA 0.828 53.955 53.050 0.129 0.000 0.726 444 N CB -0.857 37.737 38.487 0.179 0.000 0.908 444 N HN 0.762 nan 8.380 nan 0.000 0.542 445 A N 0.672 123.573 122.820 0.136 0.000 2.498 445 A HA 0.347 4.672 4.320 0.008 0.000 0.239 445 A C -1.265 176.414 177.584 0.158 0.000 1.068 445 A CA -0.627 51.497 52.037 0.145 0.000 0.766 445 A CB 0.111 19.212 19.000 0.168 0.000 1.003 445 A HN 0.228 nan 8.150 nan 0.000 0.497 446 P HA 0.134 nan 4.420 nan 0.000 0.269 446 P C 0.740 178.126 177.300 0.143 0.000 1.209 446 P CA 0.530 63.703 63.100 0.121 0.000 0.776 446 P CB 0.969 32.677 31.700 0.013 0.000 0.876 447 A N 3.080 125.951 122.820 0.085 0.000 1.986 447 A HA -0.076 4.249 4.320 0.008 0.000 0.220 447 A C 1.095 178.643 177.584 -0.060 0.000 1.171 447 A CA 1.856 53.905 52.037 0.021 0.000 0.640 447 A CB -0.810 18.207 19.000 0.029 0.000 0.811 447 A HN 0.786 nan 8.150 nan 0.000 0.451 448 S N -1.555 114.135 115.700 -0.016 0.000 2.570 448 S HA 0.436 4.911 4.470 0.008 0.000 0.270 448 S C -0.820 173.816 174.600 0.061 0.000 1.149 448 S CA -0.112 58.043 58.200 -0.074 0.000 0.837 448 S CB 1.492 64.662 63.200 -0.049 0.000 1.124 448 S HN 0.280 nan 8.310 nan 0.000 0.465 449 D N -0.375 120.087 120.400 0.103 0.000 2.538 449 D HA 0.119 4.764 4.640 0.008 0.000 0.234 449 D C -0.489 175.846 176.300 0.059 0.000 1.191 449 D CA -0.178 53.918 54.000 0.159 0.000 0.828 449 D CB -0.246 40.740 40.800 0.310 0.000 0.981 449 D HN 0.505 nan 8.370 nan 0.000 0.490 450 D N 0.706 121.131 120.400 0.041 0.000 2.411 450 D HA 0.281 4.926 4.640 0.008 0.000 0.225 450 D C 1.145 177.483 176.300 0.063 0.000 1.156 450 D CA -0.309 53.720 54.000 0.049 0.000 0.874 450 D CB 1.433 42.261 40.800 0.048 0.000 1.034 450 D HN 0.121 nan 8.370 nan 0.000 0.502 451 A N 3.559 126.421 122.820 0.070 0.000 1.940 451 A HA -0.261 4.064 4.320 0.008 0.000 0.219 451 A C 2.141 179.844 177.584 0.198 0.000 1.176 451 A CA 2.491 54.598 52.037 0.117 0.000 0.631 451 A CB -0.683 18.436 19.000 0.198 0.000 0.814 451 A HN 0.641 nan 8.150 nan 0.000 0.446 452 Q N -0.162 119.734 119.800 0.161 0.000 2.016 452 Q HA 0.004 4.349 4.340 0.008 0.000 0.200 452 Q C 2.157 178.245 176.000 0.146 0.000 0.978 452 Q CA 1.587 57.486 55.803 0.161 0.000 0.833 452 Q CB -1.082 27.725 28.738 0.115 0.000 0.895 452 Q HN 0.715 nan 8.270 nan 0.000 0.427 453 L N -1.082 120.211 121.223 0.117 0.000 2.187 453 L HA -0.137 4.208 4.340 0.008 0.000 0.213 453 L C 2.589 179.524 176.870 0.108 0.000 1.100 453 L CA 1.563 56.464 54.840 0.101 0.000 0.765 453 L CB -0.388 41.720 42.059 0.082 0.000 0.904 453 L HN 0.611 nan 8.230 nan 0.000 0.437 454 Y N -0.158 120.113 120.300 -0.050 0.000 2.144 454 Y HA -0.211 4.343 4.550 0.007 0.000 0.279 454 Y C 2.212 178.040 175.900 -0.121 0.000 1.099 454 Y CA 1.336 59.336 58.100 -0.166 0.000 1.087 454 Y CB -0.497 37.734 38.460 -0.381 0.000 1.007 454 Y HN -0.037 nan 8.280 nan 0.000 0.482 455 Y N 0.096 120.482 120.300 0.144 0.000 2.632 455 Y HA 0.099 4.653 4.550 0.007 0.000 0.301 455 Y C 2.217 178.159 175.900 0.071 0.000 1.172 455 Y CA 0.701 58.834 58.100 0.053 0.000 1.328 455 Y CB -0.742 37.777 38.460 0.098 0.000 1.016 455 Y HN 0.273 nan 8.280 nan 0.000 0.529 456 G N -0.908 108.003 108.800 0.185 0.000 2.656 456 G HA2 -0.105 3.860 3.960 0.008 0.000 0.211 456 G HA3 -0.105 3.860 3.960 0.008 0.000 0.211 456 G C 0.425 175.405 174.900 0.134 0.000 1.137 456 G CA -0.094 45.100 45.100 0.158 0.000 0.802 456 G HN 0.175 nan 8.290 nan 0.000 0.527 457 N N -0.088 118.667 118.700 0.091 0.000 2.518 457 N HA 0.185 4.929 4.740 0.008 0.000 0.254 457 N C 0.083 175.624 175.510 0.052 0.000 0.979 457 N CA -0.774 52.329 53.050 0.088 0.000 0.930 457 N CB 1.289 39.814 38.487 0.063 0.000 1.152 457 N HN -0.045 nan 8.380 nan 0.000 0.505 458 F N 3.499 123.412 119.950 -0.062 0.000 2.126 458 F HA -0.148 4.383 4.527 0.007 0.000 0.299 458 F C 2.118 177.816 175.800 -0.171 0.000 1.096 458 F CA 1.594 59.497 58.000 -0.161 0.000 1.255 458 F CB 0.228 39.012 39.000 -0.360 0.000 0.997 458 F HN 0.585 nan 8.300 nan 0.000 0.479 459 E N 0.416 120.551 120.200 -0.107 0.000 2.118 459 E HA -0.251 4.104 4.350 0.008 0.000 0.195 459 E C 2.053 178.607 176.600 -0.077 0.000 0.992 459 E CA 1.583 57.943 56.400 -0.068 0.000 0.804 459 E CB -0.260 29.505 29.700 0.109 0.000 0.741 459 E HN 0.479 nan 8.360 nan 0.000 0.458 460 E N 0.370 120.522 120.200 -0.080 0.000 2.047 460 E HA -0.192 4.163 4.350 0.008 0.000 0.191 460 E C 1.956 178.448 176.600 -0.181 0.000 0.987 460 E CA 1.638 57.995 56.400 -0.072 0.000 0.799 460 E CB -0.195 29.481 29.700 -0.040 0.000 0.752 460 E HN 0.410 nan 8.360 nan 0.000 0.449 461 E N -1.046 118.915 120.200 -0.399 0.000 2.072 461 E HA -0.180 4.175 4.350 0.008 0.000 0.191 461 E C 1.898 178.293 176.600 -0.342 0.000 0.985 461 E CA 0.854 56.878 56.400 -0.626 0.000 0.801 461 E CB -0.307 28.925 29.700 -0.779 0.000 0.750 461 E HN 0.339 nan 8.360 nan 0.000 0.452 462 F N 1.475 121.045 119.950 -0.633 0.000 2.126 462 F HA -0.147 4.384 4.527 0.007 0.000 0.299 462 F C 2.212 177.876 175.800 -0.227 0.000 1.096 462 F CA 1.705 59.372 58.000 -0.554 0.000 1.255 462 F CB 0.029 38.558 39.000 -0.786 0.000 0.997 462 F HN -0.099 nan 8.300 nan 0.000 0.479 463 R N -0.489 119.990 120.500 -0.035 0.000 2.148 463 R HA -0.103 4.242 4.340 0.008 0.000 0.223 463 R C 0.576 176.861 176.300 -0.026 0.000 1.088 463 R CA 1.249 57.344 56.100 -0.009 0.000 0.985 463 R CB -0.352 29.991 30.300 0.073 0.000 0.880 463 R HN 0.180 nan 8.270 nan 0.000 0.451 464 N N -0.127 118.569 118.700 -0.007 0.000 2.599 464 N HA 0.034 4.779 4.740 0.008 0.000 0.309 464 N C -0.034 175.527 175.510 0.087 0.000 1.743 464 N CA -0.215 52.883 53.050 0.080 0.000 0.918 464 N CB -0.023 38.566 38.487 0.170 0.000 1.339 464 N HN -0.083 nan 8.380 nan 0.000 0.493 465 F N 0.321 120.104 119.950 -0.278 0.000 2.026 465 F HA 0.121 4.653 4.527 0.007 0.000 0.296 465 F C 0.047 175.552 175.800 -0.491 0.000 1.133 465 F CA 1.465 59.156 58.000 -0.515 0.000 1.188 465 F CB -0.040 38.452 39.000 -0.848 0.000 0.968 465 F HN 0.195 nan 8.300 nan 0.000 0.476 466 W N 2.246 123.411 121.300 -0.226 0.000 2.317 466 W HA 0.238 4.903 4.660 0.009 0.000 0.327 466 W C -0.096 176.287 176.519 -0.227 0.000 1.036 466 W CA -1.101 55.913 57.345 -0.552 0.000 1.419 466 W CB 0.022 29.005 29.460 -0.795 0.000 1.253 466 W HN 0.067 nan 8.180 nan 0.000 0.392 467 N N 0.366 119.083 118.700 0.029 0.000 2.530 467 N HA 0.211 4.956 4.740 0.008 0.000 0.283 467 N C 0.795 176.455 175.510 0.251 0.000 1.238 467 N CA -0.632 52.507 53.050 0.148 0.000 0.971 467 N CB 0.349 38.856 38.487 0.032 0.000 1.195 467 N HN 0.275 nan 8.380 nan 0.000 0.583 468 N N -0.499 118.362 118.700 0.268 0.000 2.091 468 N HA -0.221 4.524 4.740 0.008 0.000 0.193 468 N C 0.874 176.580 175.510 0.326 0.000 1.021 468 N CA 2.005 55.254 53.050 0.332 0.000 0.862 468 N CB -0.219 38.408 38.487 0.234 0.000 1.018 468 N HN 0.538 nan 8.380 nan 0.000 0.429 469 S N -0.084 115.742 115.700 0.210 0.000 2.356 469 S HA -0.111 4.364 4.470 0.008 0.000 0.223 469 S C 1.596 176.356 174.600 0.267 0.000 1.032 469 S CA 1.487 59.860 58.200 0.288 0.000 1.005 469 S CB -0.699 62.644 63.200 0.238 0.000 0.867 469 S HN 0.543 nan 8.310 nan 0.000 0.449 470 N N 0.343 119.115 118.700 0.119 0.000 2.069 470 N HA -0.134 4.611 4.740 0.008 0.000 0.191 470 N C 1.558 176.932 175.510 -0.226 0.000 1.031 470 N CA 1.613 54.617 53.050 -0.077 0.000 0.852 470 N CB -0.357 38.016 38.487 -0.189 0.000 1.018 470 N HN 0.349 nan 8.380 nan 0.000 0.423 471 Y N -0.261 120.007 120.300 -0.054 0.000 2.181 471 Y HA -0.178 4.377 4.550 0.008 0.000 0.288 471 Y C 1.950 177.630 175.900 -0.367 0.000 1.146 471 Y CA 1.107 59.114 58.100 -0.157 0.000 1.164 471 Y CB -0.628 37.716 38.460 -0.194 0.000 0.982 471 Y HN 0.144 nan 8.280 nan 0.000 0.515 472 Y N -1.672 118.542 120.300 -0.143 0.000 2.200 472 Y HA -0.251 4.304 4.550 0.009 0.000 0.290 472 Y C 2.668 178.267 175.900 -0.501 0.000 1.137 472 Y CA 1.217 59.056 58.100 -0.435 0.000 1.163 472 Y CB -0.727 37.328 38.460 -0.674 0.000 0.988 472 Y HN 0.123 nan 8.280 nan 0.000 0.518 473 C N -1.177 118.133 119.300 0.016 0.000 2.398 473 C HA -0.183 4.282 4.460 0.008 0.000 0.276 473 C C 2.749 177.564 174.990 -0.292 0.000 1.222 473 C CA 1.266 60.326 59.018 0.071 0.000 1.746 473 C CB -1.132 26.602 27.740 -0.010 0.000 2.039 473 C HN 0.353 nan 8.230 nan 0.000 0.470 474 V N 0.456 120.057 119.914 -0.521 0.000 2.302 474 V HA -0.134 3.991 4.120 0.008 0.000 0.243 474 V C 2.273 177.873 176.094 -0.822 0.000 1.036 474 V CA 1.671 63.492 62.300 -0.798 0.000 1.020 474 V CB -0.607 30.526 31.823 -1.149 0.000 0.657 474 V HN 0.513 nan 8.190 nan 0.000 0.453 475 L N 0.291 121.072 121.223 -0.736 0.000 2.005 475 L HA -0.122 4.223 4.340 0.008 0.000 0.207 475 L C 2.766 179.266 176.870 -0.616 0.000 1.072 475 L CA 1.770 56.144 54.840 -0.776 0.000 0.744 475 L CB -0.926 40.429 42.059 -1.173 0.000 0.895 475 L HN 0.348 nan 8.230 nan 0.000 0.433 476 A N 0.389 122.888 122.820 -0.535 0.000 1.933 476 A HA -0.097 4.228 4.320 0.008 0.000 0.218 476 A C 2.397 179.743 177.584 -0.396 0.000 1.175 476 A CA 1.609 53.457 52.037 -0.315 0.000 0.628 476 A CB -1.246 17.567 19.000 -0.312 0.000 0.814 476 A HN 0.460 nan 8.150 nan 0.000 0.444 477 G N -0.023 108.363 108.800 -0.689 0.000 2.446 477 G HA2 -0.202 3.763 3.960 0.008 0.000 0.217 477 G HA3 -0.202 3.763 3.960 0.008 0.000 0.217 477 G C 1.490 175.599 174.900 -1.318 0.000 1.168 477 G CA 1.100 45.425 45.100 -1.292 0.000 0.771 477 G HN 0.448 nan 8.290 nan 0.000 0.551 478 L N -0.020 120.578 121.223 -1.043 0.000 2.291 478 L HA 0.192 4.537 4.340 0.008 0.000 0.214 478 L C 2.274 178.989 176.870 -0.257 0.000 1.120 478 L CA 0.821 55.359 54.840 -0.503 0.000 0.799 478 L CB 0.020 41.877 42.059 -0.337 0.000 0.925 478 L HN 0.488 nan 8.230 nan 0.000 0.446 479 G N -0.250 108.396 108.800 -0.257 0.000 2.229 479 G HA2 -0.220 3.745 3.960 0.008 0.000 0.189 479 G HA3 -0.220 3.745 3.960 0.008 0.000 0.189 479 G C -0.114 174.734 174.900 -0.086 0.000 1.000 479 G CA -0.265 44.771 45.100 -0.107 0.000 0.663 479 G HN 0.092 nan 8.290 nan 0.000 0.493 480 L N 2.682 123.798 121.223 -0.178 0.000 2.369 480 L HA 0.660 5.005 4.340 0.008 0.000 0.279 480 L C 0.596 177.412 176.870 -0.091 0.000 1.108 480 L CA -0.413 54.311 54.840 -0.193 0.000 0.852 480 L CB 1.138 42.899 42.059 -0.497 0.000 1.169 480 L HN 0.704 nan 8.230 nan 0.000 0.452 481 V N 3.171 123.024 119.914 -0.102 0.000 3.074 481 V HA 0.773 4.898 4.120 0.008 0.000 0.314 481 V C -2.519 173.191 176.094 -0.641 0.000 1.117 481 V CA -2.436 59.654 62.300 -0.350 0.000 1.014 481 V CB 1.263 32.957 31.823 -0.214 0.000 1.057 481 V HN 0.630 nan 8.190 nan 0.000 0.438 482 P HA 0.185 nan 4.420 nan 0.000 0.269 482 P C -0.043 177.000 177.300 -0.428 0.000 1.217 482 P CA 0.076 62.597 63.100 -0.963 0.000 0.783 482 P CB 0.410 31.417 31.700 -1.154 0.000 0.898 483 D N -0.093 120.174 120.400 -0.223 0.000 2.219 483 D HA 0.045 4.690 4.640 0.008 0.000 0.205 483 D C 0.668 176.981 176.300 0.022 0.000 0.970 483 D CA 1.360 55.335 54.000 -0.043 0.000 0.851 483 D CB 0.124 40.894 40.800 -0.049 0.000 0.943 483 D HN 0.418 nan 8.370 nan 0.000 0.488 484 A N -0.380 122.391 122.820 -0.081 0.000 2.601 484 A HA 0.534 4.858 4.320 0.008 0.000 0.291 484 A C -2.810 174.675 177.584 -0.164 0.000 1.075 484 A CA -1.161 50.678 52.037 -0.330 0.000 0.671 484 A CB 0.860 19.677 19.000 -0.306 0.000 1.277 484 A HN -0.234 nan 8.150 nan 0.000 0.417 485 P HA 0.192 nan 4.420 nan 0.000 0.270 485 P C 0.068 177.293 177.300 -0.126 0.000 1.223 485 P CA 0.062 63.053 63.100 -0.182 0.000 0.785 485 P CB 0.598 32.092 31.700 -0.342 0.000 0.923 486 S N 2.782 118.439 115.700 -0.072 0.000 2.546 486 S HA 0.057 4.532 4.470 0.008 0.000 0.290 486 S C -1.363 173.213 174.600 -0.039 0.000 1.262 486 S CA -0.822 57.353 58.200 -0.041 0.000 1.083 486 S CB -0.561 62.666 63.200 0.045 0.000 0.859 486 S HN 0.240 nan 8.310 nan 0.000 0.495 487 P HA -0.118 nan 4.420 nan 0.000 0.218 487 P C 1.220 178.558 177.300 0.063 0.000 1.146 487 P CA 1.144 64.244 63.100 -0.001 0.000 0.813 487 P CB 0.105 31.819 31.700 0.024 0.000 0.778 488 R N -0.668 119.879 120.500 0.078 0.000 2.105 488 R HA -0.086 4.259 4.340 0.008 0.000 0.239 488 R C 2.262 178.617 176.300 0.091 0.000 1.135 488 R CA 1.132 57.307 56.100 0.125 0.000 0.967 488 R CB -1.080 29.258 30.300 0.063 0.000 0.861 488 R HN 0.261 nan 8.270 nan 0.000 0.442 489 L N 0.255 121.484 121.223 0.010 0.000 2.127 489 L HA -0.176 4.169 4.340 0.008 0.000 0.211 489 L C 2.565 179.422 176.870 -0.021 0.000 1.089 489 L CA 1.126 55.963 54.840 -0.004 0.000 0.757 489 L CB -0.615 41.415 42.059 -0.048 0.000 0.899 489 L HN 0.267 nan 8.230 nan 0.000 0.434 490 A N -1.261 121.491 122.820 -0.113 0.000 2.121 490 A HA -0.170 4.155 4.320 0.008 0.000 0.218 490 A C 1.738 179.139 177.584 -0.305 0.000 1.154 490 A CA 1.089 52.990 52.037 -0.227 0.000 0.679 490 A CB -0.564 18.236 19.000 -0.334 0.000 0.795 490 A HN 0.463 nan 8.150 nan 0.000 0.458 491 H N -1.668 117.409 119.070 0.011 0.000 2.517 491 H HA 0.327 4.888 4.556 0.008 0.000 0.282 491 H C -0.112 175.232 175.328 0.025 0.000 1.023 491 H CA 0.255 56.311 56.048 0.014 0.000 1.169 491 H CB 0.111 29.876 29.762 0.006 0.000 1.454 491 H HN 0.479 nan 8.280 nan 0.000 0.556 492 M N 1.583 121.245 119.600 0.103 0.000 3.124 492 M HA 0.175 4.660 4.480 0.008 0.000 0.298 492 M C -1.863 174.500 176.300 0.105 0.000 1.403 492 M CA -1.383 53.982 55.300 0.108 0.000 0.651 492 M CB 1.785 34.464 32.600 0.131 0.000 1.412 492 M HN -0.134 nan 8.290 nan 0.000 0.477 493 P HA -0.198 nan 4.420 nan 0.000 0.218 493 P C 0.759 178.104 177.300 0.076 0.000 1.148 493 P CA 1.609 64.747 63.100 0.063 0.000 0.822 493 P CB 0.225 31.948 31.700 0.037 0.000 0.784 494 Q N -0.166 119.677 119.800 0.072 0.000 2.123 494 Q HA -0.030 4.314 4.340 0.008 0.000 0.199 494 Q C 2.478 178.536 176.000 0.097 0.000 0.966 494 Q CA 1.546 57.388 55.803 0.066 0.000 0.845 494 Q CB -0.633 28.132 28.738 0.045 0.000 0.907 494 Q HN 0.218 nan 8.270 nan 0.000 0.439 495 A N 1.241 124.136 122.820 0.126 0.000 1.872 495 A HA -0.157 4.168 4.320 0.008 0.000 0.214 495 A C 2.346 180.106 177.584 0.293 0.000 1.187 495 A CA 1.765 53.921 52.037 0.197 0.000 0.614 495 A CB -1.057 18.059 19.000 0.194 0.000 0.826 495 A HN 0.497 nan 8.150 nan 0.000 0.442 496 T N -2.736 111.993 114.554 0.291 0.000 3.051 496 T HA -0.048 4.307 4.350 0.008 0.000 0.269 496 T C 1.508 176.293 174.700 0.142 0.000 1.127 496 T CA 1.366 63.634 62.100 0.280 0.000 1.107 496 T CB -0.061 68.950 68.868 0.238 0.000 0.898 496 T HN 0.490 nan 8.240 nan 0.000 0.517 497 E N 1.412 121.677 120.200 0.109 0.000 2.099 497 E HA -0.021 4.334 4.350 0.008 0.000 0.191 497 E C 2.466 179.090 176.600 0.040 0.000 0.962 497 E CA 1.105 57.543 56.400 0.064 0.000 0.826 497 E CB 0.028 29.760 29.700 0.054 0.000 0.788 497 E HN 0.714 nan 8.360 nan 0.000 0.461 498 S N 0.309 116.047 115.700 0.063 0.000 2.561 498 S HA -0.026 4.449 4.470 0.008 0.000 0.225 498 S C 1.887 176.401 174.600 -0.144 0.000 0.977 498 S CA 0.376 58.598 58.200 0.037 0.000 0.926 498 S CB 0.293 63.571 63.200 0.130 0.000 0.769 498 S HN 0.053 nan 8.310 nan 0.000 0.533 499 V N 1.932 121.661 119.914 -0.309 0.000 2.871 499 V HA -0.067 4.058 4.120 0.008 0.000 0.256 499 V C 1.996 177.943 176.094 -0.246 0.000 1.082 499 V CA 1.853 63.703 62.300 -0.750 0.000 1.105 499 V CB -0.621 30.692 31.823 -0.850 0.000 0.713 499 V HN 0.483 nan 8.190 nan 0.000 0.473 500 D N 0.793 121.180 120.400 -0.022 0.000 2.265 500 D HA -0.226 4.419 4.640 0.008 0.000 0.208 500 D C 2.054 178.390 176.300 0.061 0.000 0.977 500 D CA 1.618 55.681 54.000 0.105 0.000 0.871 500 D CB 0.006 40.836 40.800 0.051 0.000 0.925 500 D HN 0.848 nan 8.370 nan 0.000 0.485 501 E N -0.982 119.193 120.200 -0.042 0.000 2.472 501 E HA 0.001 4.356 4.350 0.008 0.000 0.196 501 E C 1.572 178.113 176.600 -0.100 0.000 1.033 501 E CA 0.147 56.520 56.400 -0.044 0.000 0.886 501 E CB 0.306 29.981 29.700 -0.042 0.000 0.944 501 E HN 0.126 nan 8.360 nan 0.000 0.492 502 V N 0.357 120.133 119.914 -0.229 0.000 2.649 502 V HA -0.106 4.019 4.120 0.008 0.000 0.248 502 V C 1.582 177.498 176.094 -0.297 0.000 1.054 502 V CA 1.119 63.215 62.300 -0.340 0.000 1.073 502 V CB -0.553 30.900 31.823 -0.618 0.000 0.699 502 V HN 0.193 nan 8.190 nan 0.000 0.463 503 F N 1.456 121.334 119.950 -0.120 0.000 2.367 503 F HA 0.128 4.661 4.527 0.010 0.000 0.298 503 F C 2.337 178.112 175.800 -0.041 0.000 1.094 503 F CA 1.145 59.108 58.000 -0.061 0.000 1.409 503 F CB -1.016 37.968 39.000 -0.026 0.000 1.064 503 F HN 0.189 nan 8.300 nan 0.000 0.528 504 G N -0.486 108.387 108.800 0.122 0.000 2.403 504 G HA2 -0.120 3.845 3.960 0.008 0.000 0.216 504 G HA3 -0.120 3.845 3.960 0.008 0.000 0.216 504 G C 1.910 176.828 174.900 0.029 0.000 1.154 504 G CA 0.718 45.857 45.100 0.066 0.000 0.784 504 G HN 0.400 nan 8.290 nan 0.000 0.538 505 A N 0.260 123.076 122.820 -0.007 0.000 1.933 505 A HA 0.092 4.417 4.320 0.008 0.000 0.218 505 A C 2.584 180.159 177.584 -0.015 0.000 1.175 505 A CA 1.709 53.733 52.037 -0.022 0.000 0.628 505 A CB -0.573 18.396 19.000 -0.051 0.000 0.814 505 A HN 0.231 nan 8.150 nan 0.000 0.444 506 V N 0.458 120.363 119.914 -0.015 0.000 2.295 506 V HA -0.249 3.876 4.120 0.008 0.000 0.246 506 V C 2.542 178.651 176.094 0.025 0.000 1.049 506 V CA 2.159 64.455 62.300 -0.007 0.000 1.024 506 V CB -0.576 31.250 31.823 0.004 0.000 0.648 506 V HN 0.428 nan 8.190 nan 0.000 0.447 507 K N -0.069 120.363 120.400 0.053 0.000 2.103 507 K HA -0.181 4.144 4.320 0.008 0.000 0.207 507 K C 1.859 178.480 176.600 0.036 0.000 1.048 507 K CA 1.529 57.850 56.287 0.057 0.000 0.930 507 K CB -0.583 31.956 32.500 0.066 0.000 0.716 507 K HN 0.516 nan 8.250 nan 0.000 0.444 508 D N 0.175 120.589 120.400 0.024 0.000 2.144 508 D HA -0.101 4.544 4.640 0.008 0.000 0.200 508 D C 2.016 178.322 176.300 0.009 0.000 0.978 508 D CA 0.674 54.683 54.000 0.015 0.000 0.833 508 D CB 0.066 40.870 40.800 0.008 0.000 0.961 508 D HN 0.017 nan 8.370 nan 0.000 0.470 509 R N 0.780 121.282 120.500 0.003 0.000 2.092 509 R HA -0.018 4.327 4.340 0.008 0.000 0.231 509 R C 2.276 178.576 176.300 -0.000 0.000 1.119 509 R CA 0.707 56.804 56.100 -0.004 0.000 0.970 509 R CB -0.528 29.765 30.300 -0.013 0.000 0.864 509 R HN 0.424 nan 8.270 nan 0.000 0.440 510 Q N -0.152 119.654 119.800 0.009 0.000 2.050 510 Q HA -0.141 4.203 4.340 0.008 0.000 0.202 510 Q C 2.254 178.267 176.000 0.022 0.000 0.980 510 Q CA 1.518 57.330 55.803 0.016 0.000 0.840 510 Q CB -0.170 28.593 28.738 0.041 0.000 0.898 510 Q HN 0.228 nan 8.270 nan 0.000 0.424 511 R N 0.407 120.922 120.500 0.026 0.000 2.066 511 R HA -0.111 4.234 4.340 0.008 0.000 0.232 511 R C 1.809 178.119 176.300 0.016 0.000 1.131 511 R CA 1.325 57.441 56.100 0.025 0.000 0.955 511 R CB 0.034 30.349 30.300 0.026 0.000 0.851 511 R HN 0.274 nan 8.270 nan 0.000 0.432 512 N N 0.663 119.369 118.700 0.010 0.000 2.142 512 N HA -0.133 4.612 4.740 0.008 0.000 0.186 512 N C 1.903 177.413 175.510 0.000 0.000 1.023 512 N CA 1.090 54.143 53.050 0.005 0.000 0.852 512 N CB -0.113 38.375 38.487 0.002 0.000 0.998 512 N HN 0.259 nan 8.380 nan 0.000 0.424 513 L N 0.503 121.723 121.223 -0.005 0.000 2.093 513 L HA -0.099 4.246 4.340 0.008 0.000 0.208 513 L C 2.250 179.115 176.870 -0.009 0.000 1.085 513 L CA 0.420 55.251 54.840 -0.014 0.000 0.755 513 L CB -0.299 41.745 42.059 -0.025 0.000 0.904 513 L HN 0.118 nan 8.230 nan 0.000 0.435 514 L N 0.005 121.229 121.223 0.002 0.000 2.131 514 L HA -0.178 4.167 4.340 0.008 0.000 0.210 514 L C 2.151 179.030 176.870 0.015 0.000 1.092 514 L CA 1.781 56.629 54.840 0.013 0.000 0.759 514 L CB -0.368 41.707 42.059 0.027 0.000 0.903 514 L HN 0.239 nan 8.230 nan 0.000 0.435 515 E N -1.736 118.472 120.200 0.013 0.000 2.400 515 E HA -0.026 4.329 4.350 0.008 0.000 0.195 515 E C 1.498 178.103 176.600 0.009 0.000 1.012 515 E CA 0.973 57.381 56.400 0.014 0.000 0.875 515 E CB 0.087 29.795 29.700 0.014 0.000 0.859 515 E HN 0.674 nan 8.360 nan 0.000 0.498 516 T N -1.912 112.644 114.554 0.003 0.000 2.955 516 T HA 0.226 4.581 4.350 0.008 0.000 0.251 516 T C 0.756 175.453 174.700 -0.005 0.000 1.002 516 T CA -0.354 61.746 62.100 0.000 0.000 0.970 516 T CB 0.049 68.915 68.868 -0.003 0.000 1.091 516 T HN -0.108 nan 8.240 nan 0.000 0.495 517 L N 3.695 124.910 121.223 -0.013 0.000 2.397 517 L HA 0.413 4.758 4.340 0.008 0.000 0.271 517 L C -1.848 175.016 176.870 -0.010 0.000 1.148 517 L CA -2.184 52.640 54.840 -0.027 0.000 0.825 517 L CB 0.642 42.671 42.059 -0.049 0.000 1.117 517 L HN 0.137 nan 8.230 nan 0.000 0.456 518 P HA 0.137 nan 4.420 nan 0.000 0.277 518 P C -0.811 176.504 177.300 0.025 0.000 1.271 518 P CA -0.572 62.542 63.100 0.023 0.000 0.795 518 P CB 1.049 32.779 31.700 0.049 0.000 1.101 519 S N -0.133 115.600 115.700 0.055 0.000 2.603 519 S HA 0.071 4.546 4.470 0.008 0.000 0.268 519 S C 1.290 175.945 174.600 0.092 0.000 1.317 519 S CA -0.603 57.641 58.200 0.074 0.000 1.012 519 S CB 0.108 63.374 63.200 0.110 0.000 0.926 519 S HN 0.392 nan 8.310 nan 0.000 0.539 520 L N 1.062 122.340 121.223 0.092 0.000 2.042 520 L HA -0.074 4.271 4.340 0.008 0.000 0.210 520 L C 2.383 179.382 176.870 0.215 0.000 1.076 520 L CA 2.462 57.374 54.840 0.120 0.000 0.749 520 L CB -1.475 40.643 42.059 0.099 0.000 0.893 520 L HN 1.046 nan 8.230 nan 0.000 0.432 521 H N -0.139 118.992 119.070 0.102 0.000 2.319 521 H HA -0.161 4.400 4.556 0.008 0.000 0.299 521 H C 2.105 177.486 175.328 0.089 0.000 1.092 521 H CA 2.302 58.409 56.048 0.097 0.000 1.302 521 H CB -0.065 29.745 29.762 0.081 0.000 1.373 521 H HN 0.533 nan 8.280 nan 0.000 0.497 522 E N -0.865 119.317 120.200 -0.029 0.000 2.058 522 E HA -0.200 4.155 4.350 0.008 0.000 0.194 522 E C 1.990 178.558 176.600 -0.053 0.000 0.997 522 E CA 1.338 57.681 56.400 -0.095 0.000 0.801 522 E CB -0.342 29.365 29.700 0.012 0.000 0.746 522 E HN 0.472 nan 8.360 nan 0.000 0.450 523 F N 1.179 121.078 119.950 -0.084 0.000 2.134 523 F HA -0.149 4.383 4.527 0.007 0.000 0.299 523 F C 1.849 177.622 175.800 -0.045 0.000 1.097 523 F CA 1.195 59.151 58.000 -0.074 0.000 1.264 523 F CB -0.064 38.874 39.000 -0.103 0.000 1.001 523 F HN -0.073 nan 8.300 nan 0.000 0.479 524 L N -0.131 121.106 121.223 0.022 0.000 2.083 524 L HA -0.206 4.138 4.340 0.008 0.000 0.209 524 L C 2.706 179.475 176.870 -0.167 0.000 1.083 524 L CA 1.273 56.096 54.840 -0.030 0.000 0.752 524 L CB -0.669 41.472 42.059 0.137 0.000 0.899 524 L HN 0.071 nan 8.230 nan 0.000 0.433 525 R N 0.312 120.673 120.500 -0.231 0.000 2.080 525 R HA -0.241 4.104 4.340 0.008 0.000 0.236 525 R C 2.290 178.468 176.300 -0.202 0.000 1.137 525 R CA 1.988 57.950 56.100 -0.229 0.000 0.943 525 R CB -0.461 29.654 30.300 -0.308 0.000 0.846 525 R HN 0.500 nan 8.270 nan 0.000 0.431 526 Q N 0.814 120.469 119.800 -0.242 0.000 2.439 526 Q HA -0.126 4.219 4.340 0.008 0.000 0.211 526 Q C 0.856 176.690 176.000 -0.278 0.000 0.978 526 Q CA 1.080 56.745 55.803 -0.231 0.000 0.897 526 Q CB 0.113 28.719 28.738 -0.219 0.000 0.956 526 Q HN 0.288 nan 8.270 nan 0.000 0.483 527 Q N 0.000 119.588 119.800 -0.353 0.000 2.315 527 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 527 Q CA 0.000 55.616 55.803 -0.312 0.000 1.022 527 Q CB 0.000 28.483 28.738 -0.424 0.000 1.108 527 Q HN 0.000 nan 8.270 nan 0.000 0.481