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 2e4g_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 HEFLRQQH 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 S N -1.508 114.200 115.700 0.013 0.000 2.720 2 S HA 1.196 5.671 4.470 0.008 0.000 0.287 2 S C 0.969 175.578 174.600 0.014 0.000 1.168 2 S CA -0.032 58.176 58.200 0.012 0.000 0.832 2 S CB 0.989 64.196 63.200 0.011 0.000 1.166 2 S HN 3.170 nan 8.310 nan 0.000 0.493 3 G N 0.418 109.228 108.800 0.017 0.000 2.629 3 G HA2 0.369 4.334 3.960 0.008 0.000 0.686 3 G HA3 0.369 4.334 3.960 0.008 0.000 0.686 3 G C -0.575 174.340 174.900 0.026 0.000 1.232 3 G CA -0.169 44.943 45.100 0.019 0.000 0.803 3 G HN 1.426 nan 8.290 nan 0.000 0.638 4 K N 0.352 120.772 120.400 0.034 0.000 2.138 4 K HA 0.654 4.979 4.320 0.008 0.000 0.251 4 K C 0.686 177.316 176.600 0.050 0.000 1.015 4 K CA -0.911 55.407 56.287 0.053 0.000 0.917 4 K CB 0.775 33.317 32.500 0.070 0.000 1.021 4 K HN 0.363 nan 8.250 nan 0.000 0.485 5 I N 2.788 123.402 120.570 0.074 0.000 2.668 5 I HA -0.093 4.082 4.170 0.008 0.000 0.285 5 I C 0.481 176.636 176.117 0.062 0.000 1.168 5 I CA 0.483 61.818 61.300 0.058 0.000 1.424 5 I CB 0.302 38.355 38.000 0.089 0.000 1.377 5 I HN 0.787 nan 8.210 nan 0.000 0.560 6 D N 5.206 125.620 120.400 0.024 0.000 2.463 6 D HA 0.109 4.755 4.640 0.008 0.000 0.237 6 D C 0.381 176.677 176.300 -0.006 0.000 1.013 6 D CA 0.809 54.816 54.000 0.012 0.000 0.910 6 D CB 0.817 41.621 40.800 0.006 0.000 1.080 6 D HN 0.476 nan 8.370 nan 0.000 0.498 7 K N 0.739 121.120 120.400 -0.031 0.000 2.378 7 K HA 0.594 4.919 4.320 0.008 0.000 0.252 7 K C -0.662 175.856 176.600 -0.137 0.000 0.931 7 K CA -0.499 55.748 56.287 -0.068 0.000 0.794 7 K CB 3.024 35.483 32.500 -0.068 0.000 1.181 7 K HN -0.137 nan 8.250 nan 0.000 0.425 8 I N 3.147 123.629 120.570 -0.146 0.000 2.498 8 I HA 0.321 4.496 4.170 0.008 0.000 0.290 8 I C -1.192 174.770 176.117 -0.259 0.000 1.032 8 I CA -1.151 60.021 61.300 -0.212 0.000 1.073 8 I CB 1.820 39.759 38.000 -0.103 0.000 1.251 8 I HN 0.323 nan 8.210 nan 0.000 0.426 9 L N 7.802 128.784 121.223 -0.402 0.000 2.333 9 L HA 0.612 4.957 4.340 0.008 0.000 0.280 9 L C -0.997 175.746 176.870 -0.212 0.000 1.004 9 L CA -0.089 54.566 54.840 -0.309 0.000 0.820 9 L CB 1.353 43.200 42.059 -0.354 0.000 1.247 9 L HN 0.402 nan 8.230 nan 0.000 0.416 10 I N 5.672 126.124 120.570 -0.196 0.000 2.339 10 I HA 0.384 4.560 4.170 0.008 0.000 0.290 10 I C -0.704 175.299 176.117 -0.191 0.000 0.994 10 I CA -0.818 60.367 61.300 -0.192 0.000 1.191 10 I CB 1.765 39.609 38.000 -0.260 0.000 1.343 10 I HN 0.244 nan 8.210 nan 0.000 0.458 11 V N 5.629 125.466 119.914 -0.128 0.000 2.347 11 V HA 0.820 4.945 4.120 0.008 0.000 0.280 11 V C 0.345 176.358 176.094 -0.136 0.000 1.021 11 V CA -0.353 61.879 62.300 -0.113 0.000 0.847 11 V CB 0.879 32.678 31.823 -0.040 0.000 0.990 11 V HN 1.050 nan 8.190 nan 0.000 0.444 12 G N 3.415 112.116 108.800 -0.165 0.000 3.187 12 G HA2 0.316 4.281 3.960 0.008 0.000 0.682 12 G HA3 0.316 4.281 3.960 0.008 0.000 0.682 12 G C -0.113 174.621 174.900 -0.276 0.000 1.266 12 G CA -0.449 44.554 45.100 -0.162 0.000 0.902 12 G HN 1.215 nan 8.290 nan 0.000 0.589 13 G N 0.587 109.260 108.800 -0.212 0.000 4.959 13 G HA2 0.713 4.679 3.960 0.008 0.000 0.297 13 G HA3 0.713 4.679 3.960 0.008 0.000 0.297 13 G C 0.693 175.592 174.900 -0.002 0.000 1.351 13 G CA 0.826 45.732 45.100 -0.323 0.000 1.016 13 G HN 1.293 nan 8.290 nan 0.000 0.592 14 G N 0.039 108.822 108.800 -0.029 0.000 3.075 14 G HA2 0.377 4.342 3.960 0.008 0.000 0.156 14 G HA3 0.377 4.342 3.960 0.008 0.000 0.156 14 G C 1.121 176.095 174.900 0.123 0.000 1.403 14 G CA 0.552 45.694 45.100 0.069 0.000 1.033 14 G HN 0.087 nan 8.290 nan 0.000 0.589 15 T N 1.111 115.700 114.554 0.057 0.000 2.770 15 T HA 0.028 4.383 4.350 0.008 0.000 0.263 15 T C 2.724 177.441 174.700 0.028 0.000 1.039 15 T CA 1.777 63.920 62.100 0.072 0.000 1.142 15 T CB -0.467 68.428 68.868 0.046 0.000 0.868 15 T HN 0.505 nan 8.240 nan 0.000 0.435 16 A N 1.531 124.336 122.820 -0.025 0.000 1.877 16 A HA 0.115 4.440 4.320 0.008 0.000 0.216 16 A C 2.625 180.159 177.584 -0.083 0.000 1.186 16 A CA 1.917 53.920 52.037 -0.057 0.000 0.620 16 A CB -1.456 17.504 19.000 -0.067 0.000 0.822 16 A HN 0.497 nan 8.150 nan 0.000 0.443 17 G N -1.544 107.164 108.800 -0.154 0.000 2.459 17 G HA2 -0.273 3.692 3.960 0.008 0.000 0.217 17 G HA3 -0.273 3.692 3.960 0.008 0.000 0.217 17 G C 1.402 176.077 174.900 -0.374 0.000 1.183 17 G CA 0.977 45.882 45.100 -0.326 0.000 0.776 17 G HN 0.681 nan 8.290 nan 0.000 0.552 18 W N 0.092 121.379 121.300 -0.022 0.000 2.584 18 W HA 0.290 4.955 4.660 0.008 0.000 0.264 18 W C 2.798 179.371 176.519 0.090 0.000 1.264 18 W CA -0.050 57.300 57.345 0.008 0.000 1.306 18 W CB -0.014 29.445 29.460 -0.001 0.000 1.110 18 W HN 0.112 nan 8.180 nan 0.000 0.606 19 M N -0.414 119.329 119.600 0.238 0.000 2.156 19 M HA -0.087 4.398 4.480 0.008 0.000 0.264 19 M C 2.457 178.934 176.300 0.294 0.000 1.067 19 M CA 1.706 57.173 55.300 0.280 0.000 1.131 19 M CB -0.586 31.988 32.600 -0.043 0.000 1.368 19 M HN 0.040 nan 8.290 nan 0.000 0.416 20 A N 0.451 123.340 122.820 0.114 0.000 1.902 20 A HA -0.080 4.246 4.320 0.008 0.000 0.217 20 A C 2.321 179.967 177.584 0.102 0.000 1.181 20 A CA 1.937 54.019 52.037 0.076 0.000 0.623 20 A CB -0.960 18.015 19.000 -0.042 0.000 0.818 20 A HN 0.492 nan 8.150 nan 0.000 0.443 21 A N -0.543 122.310 122.820 0.054 0.000 1.902 21 A HA -0.076 4.249 4.320 0.008 0.000 0.217 21 A C 2.451 180.135 177.584 0.166 0.000 1.181 21 A CA 2.173 54.249 52.037 0.065 0.000 0.623 21 A CB -0.802 18.224 19.000 0.042 0.000 0.818 21 A HN 0.468 nan 8.150 nan 0.000 0.443 22 S N -1.967 113.898 115.700 0.274 0.000 2.357 22 S HA -0.097 4.378 4.470 0.008 0.000 0.221 22 S C 1.868 176.602 174.600 0.223 0.000 1.031 22 S CA 1.275 59.645 58.200 0.285 0.000 0.982 22 S CB -0.554 62.874 63.200 0.380 0.000 0.853 22 S HN 0.651 nan 8.310 nan 0.000 0.458 23 Y N 2.233 122.630 120.300 0.161 0.000 2.133 23 Y HA -0.046 4.509 4.550 0.008 0.000 0.287 23 Y C 1.997 177.970 175.900 0.122 0.000 1.134 23 Y CA 1.346 59.537 58.100 0.152 0.000 1.133 23 Y CB -0.329 38.217 38.460 0.143 0.000 0.987 23 Y HN 0.120 nan 8.280 nan 0.000 0.502 24 L N -1.098 120.261 121.223 0.227 0.000 2.056 24 L HA -0.153 4.192 4.340 0.008 0.000 0.207 24 L C 2.684 179.540 176.870 -0.023 0.000 1.078 24 L CA 1.203 56.081 54.840 0.062 0.000 0.749 24 L CB -1.264 40.813 42.059 0.030 0.000 0.901 24 L HN 0.370 nan 8.230 nan 0.000 0.433 25 G N 0.197 108.996 108.800 -0.000 0.000 2.440 25 G HA2 -0.323 3.642 3.960 0.008 0.000 0.218 25 G HA3 -0.323 3.642 3.960 0.008 0.000 0.218 25 G C 1.678 176.523 174.900 -0.091 0.000 1.154 25 G CA 1.019 46.089 45.100 -0.050 0.000 0.767 25 G HN 0.190 nan 8.290 nan 0.000 0.552 26 K N 1.029 121.382 120.400 -0.078 0.000 2.031 26 K HA 0.227 4.552 4.320 0.008 0.000 0.205 26 K C 2.714 179.195 176.600 -0.198 0.000 1.049 26 K CA 1.486 57.672 56.287 -0.168 0.000 0.939 26 K CB -0.713 31.651 32.500 -0.226 0.000 0.717 26 K HN 0.146 nan 8.250 nan 0.000 0.438 27 A N 0.364 123.130 122.820 -0.089 0.000 1.933 27 A HA -0.025 4.300 4.320 0.008 0.000 0.218 27 A C 1.742 179.239 177.584 -0.145 0.000 1.175 27 A CA 1.539 53.547 52.037 -0.049 0.000 0.628 27 A CB -0.471 18.513 19.000 -0.027 0.000 0.814 27 A HN 0.314 nan 8.150 nan 0.000 0.444 28 L N -0.569 120.549 121.223 -0.175 0.000 2.818 28 L HA 0.186 4.531 4.340 0.008 0.000 0.243 28 L C 0.700 177.492 176.870 -0.129 0.000 1.185 28 L CA -0.419 54.310 54.840 -0.185 0.000 0.988 28 L CB -0.392 41.525 42.059 -0.236 0.000 1.292 28 L HN 0.429 nan 8.230 nan 0.000 0.519 29 Q N 1.716 121.439 119.800 -0.128 0.000 2.618 29 Q HA -0.016 4.330 4.340 0.008 0.000 0.344 29 Q C 1.377 177.321 176.000 -0.093 0.000 1.073 29 Q CA 1.423 57.157 55.803 -0.115 0.000 1.105 29 Q CB 0.151 28.810 28.738 -0.132 0.000 1.028 29 Q HN 0.491 nan 8.270 nan 0.000 0.397 30 G N 2.613 111.365 108.800 -0.079 0.000 2.162 30 G HA2 -0.315 3.650 3.960 0.008 0.000 0.260 30 G HA3 -0.315 3.650 3.960 0.008 0.000 0.260 30 G C 0.437 175.307 174.900 -0.050 0.000 0.976 30 G CA 0.749 45.812 45.100 -0.062 0.000 0.655 30 G HN 0.999 nan 8.290 nan 0.000 0.533 31 T N -3.943 110.580 114.554 -0.053 0.000 3.170 31 T HA 0.756 5.111 4.350 0.008 0.000 0.288 31 T C 0.306 174.992 174.700 -0.024 0.000 0.992 31 T CA 0.982 63.060 62.100 -0.036 0.000 0.909 31 T CB 0.941 69.786 68.868 -0.038 0.000 1.133 31 T HN 1.944 nan 8.240 nan 0.000 0.530 32 A N 0.720 123.520 122.820 -0.032 0.000 2.555 32 A HA 0.604 4.929 4.320 0.008 0.000 0.297 32 A C -1.942 175.625 177.584 -0.029 0.000 1.060 32 A CA -0.794 51.232 52.037 -0.020 0.000 0.710 32 A CB 1.191 20.183 19.000 -0.014 0.000 1.282 32 A HN 0.177 nan 8.150 nan 0.000 0.399 33 D N 1.921 122.306 120.400 -0.024 0.000 2.280 33 D HA 0.515 5.160 4.640 0.008 0.000 0.243 33 D C -0.394 175.885 176.300 -0.034 0.000 1.129 33 D CA 0.482 54.467 54.000 -0.024 0.000 0.848 33 D CB 1.233 42.025 40.800 -0.013 0.000 1.107 33 D HN 0.447 nan 8.370 nan 0.000 0.471 34 I N 1.540 122.089 120.570 -0.034 0.000 2.404 34 I HA 0.240 4.415 4.170 0.008 0.000 0.293 34 I C 0.194 176.287 176.117 -0.041 0.000 0.992 34 I CA -0.380 60.889 61.300 -0.050 0.000 1.149 34 I CB 1.887 39.857 38.000 -0.050 0.000 1.315 34 I HN 0.017 nan 8.210 nan 0.000 0.446 35 T N 6.912 121.423 114.554 -0.072 0.000 2.861 35 T HA 0.528 4.883 4.350 0.008 0.000 0.287 35 T C -0.757 173.846 174.700 -0.161 0.000 1.003 35 T CA -0.456 61.600 62.100 -0.074 0.000 0.977 35 T CB 1.820 70.660 68.868 -0.047 0.000 0.996 35 T HN 0.354 nan 8.240 nan 0.000 0.448 36 L N 3.940 125.058 121.223 -0.174 0.000 2.325 36 L HA 0.646 4.991 4.340 0.008 0.000 0.281 36 L C -1.449 175.297 176.870 -0.207 0.000 1.004 36 L CA -1.007 53.649 54.840 -0.306 0.000 0.823 36 L CB 0.940 42.608 42.059 -0.651 0.000 1.236 36 L HN 0.439 nan 8.230 nan 0.000 0.415 37 L N 4.916 125.994 121.223 -0.242 0.000 2.276 37 L HA 0.469 4.814 4.340 0.008 0.000 0.286 37 L C -0.373 176.440 176.870 -0.094 0.000 1.061 37 L CA 0.519 55.240 54.840 -0.199 0.000 0.807 37 L CB 1.273 43.172 42.059 -0.267 0.000 1.177 37 L HN 0.637 nan 8.230 nan 0.000 0.429 38 Q N 3.007 122.829 119.800 0.036 0.000 2.285 38 Q HA 0.772 5.117 4.340 0.008 0.000 0.269 38 Q C -1.591 174.474 176.000 0.108 0.000 1.030 38 Q CA -0.693 55.174 55.803 0.107 0.000 0.788 38 Q CB 2.191 31.122 28.738 0.322 0.000 1.266 38 Q HN 0.741 nan 8.270 nan 0.000 0.438 39 A N 4.252 127.115 122.820 0.072 0.000 2.340 39 A HA 0.799 5.124 4.320 0.008 0.000 0.331 39 A C -2.540 175.090 177.584 0.077 0.000 1.140 39 A CA -1.486 50.589 52.037 0.063 0.000 0.801 39 A CB 0.848 19.872 19.000 0.040 0.000 1.234 39 A HN 0.539 nan 8.150 nan 0.000 0.469 40 P HA 0.357 nan 4.420 nan 0.000 0.271 40 P C -0.957 176.383 177.300 0.066 0.000 1.220 40 P CA 0.299 63.445 63.100 0.077 0.000 0.768 40 P CB 0.652 32.391 31.700 0.065 0.000 0.848 41 D N 1.112 121.556 120.400 0.073 0.000 2.449 41 D HA 0.356 5.002 4.640 0.008 0.000 0.250 41 D C 0.067 176.409 176.300 0.069 0.000 1.050 41 D CA -0.476 53.564 54.000 0.065 0.000 1.024 41 D CB 0.803 41.643 40.800 0.067 0.000 1.218 41 D HN 0.119 nan 8.370 nan 0.000 0.566 42 I N 2.252 122.860 120.570 0.064 0.000 2.533 42 I HA 0.143 4.318 4.170 0.008 0.000 0.284 42 I C -1.766 174.401 176.117 0.084 0.000 1.109 42 I CA -1.356 59.982 61.300 0.064 0.000 1.412 42 I CB 0.090 38.121 38.000 0.053 0.000 1.396 42 I HN 0.118 nan 8.210 nan 0.000 0.543 43 P HA 0.156 nan 4.420 nan 0.000 0.269 43 P C -0.455 176.915 177.300 0.116 0.000 1.215 43 P CA -0.027 63.141 63.100 0.114 0.000 0.780 43 P CB 0.541 32.294 31.700 0.088 0.000 0.898 44 T N -1.175 113.479 114.554 0.167 0.000 2.901 44 T HA 0.590 4.945 4.350 0.008 0.000 0.293 44 T C -0.132 174.614 174.700 0.077 0.000 1.084 44 T CA -1.019 61.175 62.100 0.157 0.000 1.008 44 T CB 0.536 69.544 68.868 0.233 0.000 1.170 44 T HN 0.085 nan 8.240 nan 0.000 0.509 45 L N 1.145 122.404 121.223 0.060 0.000 2.452 45 L HA 0.484 4.829 4.340 0.008 0.000 0.267 45 L C 1.349 178.210 176.870 -0.014 0.000 1.188 45 L CA -0.521 54.317 54.840 -0.004 0.000 0.821 45 L CB 0.308 42.389 42.059 0.037 0.000 1.102 45 L HN 1.040 nan 8.230 nan 0.000 0.470 46 G N 1.275 110.014 108.800 -0.101 0.000 2.621 46 G HA2 0.328 4.293 3.960 0.008 0.000 0.306 46 G HA3 0.328 4.293 3.960 0.008 0.000 0.306 46 G C 0.802 175.792 174.900 0.150 0.000 0.893 46 G CA -0.336 44.759 45.100 -0.009 0.000 1.486 46 G HN 0.612 nan 8.290 nan 0.000 0.477 47 V N 0.920 120.996 119.914 0.269 0.000 3.623 47 V HA 0.545 4.670 4.120 0.008 0.000 0.271 47 V C 1.125 177.478 176.094 0.433 0.000 1.248 47 V CA 0.079 62.597 62.300 0.363 0.000 1.156 47 V CB -1.289 30.832 31.823 0.497 0.000 0.870 47 V HN 1.531 nan 8.190 nan 0.000 0.453 48 G N 0.139 109.110 108.800 0.284 0.000 2.719 48 G HA2 -0.021 3.944 3.960 0.008 0.000 0.686 48 G HA3 -0.021 3.944 3.960 0.008 0.000 0.686 48 G C -0.909 173.979 174.900 -0.020 0.000 1.201 48 G CA -0.430 44.769 45.100 0.165 0.000 0.768 48 G HN 0.481 nan 8.290 nan 0.000 0.629 49 E N -0.211 119.920 120.200 -0.114 0.000 2.272 49 E HA 0.708 5.063 4.350 0.008 0.000 0.269 49 E C 0.218 176.637 176.600 -0.301 0.000 0.877 49 E CA -0.189 56.058 56.400 -0.256 0.000 0.755 49 E CB 2.196 31.718 29.700 -0.296 0.000 1.192 49 E HN 1.348 nan 8.360 nan 0.000 0.422 50 A N 1.646 124.385 122.820 -0.135 0.000 2.337 50 A HA 0.826 5.151 4.320 0.008 0.000 0.331 50 A C 0.117 177.754 177.584 0.089 0.000 1.137 50 A CA -0.370 51.727 52.037 0.099 0.000 0.807 50 A CB 1.152 20.268 19.000 0.194 0.000 1.250 50 A HN 0.650 nan 8.150 nan 0.000 0.468 51 T N -1.434 113.252 114.554 0.220 0.000 2.693 51 T HA 0.784 5.139 4.350 0.008 0.000 0.278 51 T C -0.165 174.740 174.700 0.341 0.000 0.994 51 T CA -0.212 62.075 62.100 0.312 0.000 1.033 51 T CB 0.710 69.865 68.868 0.479 0.000 1.342 51 T HN 1.309 nan 8.240 nan 0.000 0.538 52 I N -2.701 118.052 120.570 0.306 0.000 2.892 52 I HA 0.577 4.752 4.170 0.008 0.000 0.306 52 I C -2.494 173.590 176.117 -0.056 0.000 1.078 52 I CA -3.317 57.989 61.300 0.009 0.000 1.032 52 I CB 2.122 40.194 38.000 0.121 0.000 1.229 52 I HN 0.292 nan 8.210 nan 0.000 0.435 53 P HA -0.229 nan 4.420 nan 0.000 0.218 53 P C 0.806 178.138 177.300 0.053 0.000 1.154 53 P CA 2.054 64.860 63.100 -0.489 0.000 0.872 53 P CB -0.286 30.645 31.700 -1.282 0.000 0.790 54 N N -0.586 118.217 118.700 0.173 0.000 2.609 54 N HA -0.109 4.636 4.740 0.008 0.000 0.190 54 N C 1.344 176.999 175.510 0.242 0.000 1.157 54 N CA 0.404 53.647 53.050 0.320 0.000 0.918 54 N CB -1.372 37.426 38.487 0.518 0.000 0.978 54 N HN 0.111 nan 8.380 nan 0.000 0.448 55 L N -0.355 121.035 121.223 0.279 0.000 2.083 55 L HA -0.091 4.254 4.340 0.008 0.000 0.209 55 L C 2.270 179.087 176.870 -0.089 0.000 1.083 55 L CA 1.771 56.597 54.840 -0.023 0.000 0.752 55 L CB -0.778 41.402 42.059 0.201 0.000 0.899 55 L HN 0.229 nan 8.230 nan 0.000 0.433 56 Q N -0.737 119.123 119.800 0.101 0.000 2.089 56 Q HA -0.110 4.235 4.340 0.008 0.000 0.195 56 Q C 2.213 178.298 176.000 0.141 0.000 0.963 56 Q CA 2.338 58.232 55.803 0.151 0.000 0.834 56 Q CB -0.453 28.445 28.738 0.267 0.000 0.906 56 Q HN 0.668 nan 8.270 nan 0.000 0.452 57 T N -2.532 112.112 114.554 0.150 0.000 2.942 57 T HA 0.154 4.509 4.350 0.008 0.000 0.265 57 T C 1.670 176.428 174.700 0.098 0.000 1.062 57 T CA 0.907 63.091 62.100 0.140 0.000 1.139 57 T CB -0.212 68.763 68.868 0.178 0.000 0.883 57 T HN 0.240 nan 8.240 nan 0.000 0.468 58 A N -0.817 122.015 122.820 0.020 0.000 2.115 58 A HA 0.525 4.850 4.320 0.008 0.000 0.211 58 A C 1.624 179.113 177.584 -0.158 0.000 1.169 58 A CA 0.018 51.978 52.037 -0.128 0.000 0.787 58 A CB -0.366 18.437 19.000 -0.327 0.000 0.858 58 A HN 0.470 nan 8.150 nan 0.000 0.474 59 F N -1.642 118.036 119.950 -0.453 0.000 2.515 59 F HA 0.303 4.836 4.527 0.008 0.000 0.267 59 F C 1.614 177.227 175.800 -0.312 0.000 0.923 59 F CA 0.245 57.950 58.000 -0.492 0.000 1.107 59 F CB -0.322 38.051 39.000 -1.046 0.000 1.175 59 F HN 0.107 nan 8.300 nan 0.000 0.742 60 F N 1.647 121.424 119.950 -0.287 0.000 2.161 60 F HA -0.180 4.352 4.527 0.008 0.000 0.300 60 F C 2.248 177.912 175.800 -0.227 0.000 1.089 60 F CA 1.745 59.523 58.000 -0.369 0.000 1.282 60 F CB -0.928 37.862 39.000 -0.350 0.000 1.010 60 F HN 0.064 nan 8.300 nan 0.000 0.485 61 D N -0.691 119.748 120.400 0.065 0.000 2.144 61 D HA -0.196 4.449 4.640 0.008 0.000 0.199 61 D C 2.116 178.414 176.300 -0.004 0.000 0.984 61 D CA 0.928 54.958 54.000 0.050 0.000 0.834 61 D CB -0.639 40.215 40.800 0.088 0.000 0.955 61 D HN 0.221 nan 8.370 nan 0.000 0.465 62 F N 1.114 120.967 119.950 -0.162 0.000 2.171 62 F HA -0.094 4.438 4.527 0.008 0.000 0.300 62 F C 1.956 177.592 175.800 -0.272 0.000 1.090 62 F CA 1.098 58.970 58.000 -0.214 0.000 1.293 62 F CB -0.141 38.703 39.000 -0.260 0.000 1.013 62 F HN -0.092 nan 8.300 nan 0.000 0.486 63 L N -0.282 120.761 121.223 -0.301 0.000 2.395 63 L HA 0.124 4.470 4.340 0.008 0.000 0.218 63 L C 1.673 178.413 176.870 -0.218 0.000 1.130 63 L CA 0.753 55.398 54.840 -0.326 0.000 0.826 63 L CB -1.110 40.664 42.059 -0.475 0.000 0.941 63 L HN 0.421 nan 8.230 nan 0.000 0.451 64 G N 1.151 109.843 108.800 -0.178 0.000 2.149 64 G HA2 -0.260 3.705 3.960 0.008 0.000 0.235 64 G HA3 -0.260 3.705 3.960 0.008 0.000 0.235 64 G C -0.031 174.831 174.900 -0.063 0.000 1.018 64 G CA -0.283 44.757 45.100 -0.099 0.000 0.728 64 G HN 0.290 nan 8.290 nan 0.000 0.508 65 I N 1.081 121.615 120.570 -0.060 0.000 2.355 65 I HA 0.296 4.471 4.170 0.008 0.000 0.288 65 I C -2.131 174.020 176.117 0.057 0.000 0.999 65 I CA -2.523 58.771 61.300 -0.011 0.000 1.163 65 I CB 2.016 40.007 38.000 -0.016 0.000 1.316 65 I HN -0.143 nan 8.210 nan 0.000 0.454 66 P HA 0.016 nan 4.420 nan 0.000 0.268 66 P C 0.700 177.986 177.300 -0.022 0.000 1.205 66 P CA -0.071 63.043 63.100 0.022 0.000 0.771 66 P CB 0.797 32.494 31.700 -0.005 0.000 0.858 67 E N 1.970 122.159 120.200 -0.019 0.000 2.086 67 E HA -0.317 4.038 4.350 0.008 0.000 0.200 67 E C 0.886 177.137 176.600 -0.582 0.000 1.012 67 E CA 1.675 57.934 56.400 -0.234 0.000 0.812 67 E CB -0.121 29.605 29.700 0.042 0.000 0.743 67 E HN 0.407 nan 8.360 nan 0.000 0.453 68 D N 0.126 120.351 120.400 -0.292 0.000 2.149 68 D HA -0.187 4.458 4.640 0.008 0.000 0.198 68 D C 1.776 177.856 176.300 -0.367 0.000 0.990 68 D CA 1.022 54.837 54.000 -0.309 0.000 0.839 68 D CB -0.216 40.489 40.800 -0.159 0.000 0.948 68 D HN 0.392 nan 8.370 nan 0.000 0.460 69 E N 0.247 120.280 120.200 -0.279 0.000 2.028 69 E HA -0.132 4.223 4.350 0.008 0.000 0.191 69 E C 2.281 178.664 176.600 -0.363 0.000 0.988 69 E CA 1.054 57.335 56.400 -0.199 0.000 0.799 69 E CB -0.209 29.472 29.700 -0.032 0.000 0.755 69 E HN 0.483 nan 8.360 nan 0.000 0.447 70 W N 0.082 120.973 121.300 -0.683 0.000 2.476 70 W HA -0.041 4.623 4.660 0.007 0.000 0.281 70 W C 1.717 177.724 176.519 -0.852 0.000 1.230 70 W CA 0.120 56.732 57.345 -1.221 0.000 1.287 70 W CB -0.654 27.833 29.460 -1.622 0.000 1.108 70 W HN 0.057 nan 8.180 nan 0.000 0.567 71 M N 1.388 120.125 119.600 -1.438 0.000 2.080 71 M HA -0.182 4.303 4.480 0.008 0.000 0.260 71 M C 2.540 178.568 176.300 -0.453 0.000 1.068 71 M CA 2.116 56.722 55.300 -1.156 0.000 1.109 71 M CB -0.429 31.529 32.600 -1.071 0.000 1.342 71 M HN -0.052 nan 8.290 nan 0.000 0.405 72 R N -0.130 120.118 120.500 -0.419 0.000 2.096 72 R HA -0.118 4.227 4.340 0.008 0.000 0.235 72 R C 1.784 178.029 176.300 -0.091 0.000 1.127 72 R CA 1.152 57.128 56.100 -0.207 0.000 0.968 72 R CB -0.280 29.882 30.300 -0.229 0.000 0.861 72 R HN 0.488 nan 8.270 nan 0.000 0.440 73 E N -0.486 119.605 120.200 -0.182 0.000 2.427 73 E HA -0.066 4.289 4.350 0.008 0.000 0.196 73 E C 0.873 177.433 176.600 -0.067 0.000 1.028 73 E CA 0.508 56.851 56.400 -0.096 0.000 0.864 73 E CB 0.308 29.956 29.700 -0.086 0.000 0.813 73 E HN 0.365 nan 8.360 nan 0.000 0.514 74 C N 0.975 120.215 119.300 -0.100 0.000 3.243 74 C HA 0.174 4.639 4.460 0.008 0.000 0.286 74 C C 0.197 175.230 174.990 0.072 0.000 1.373 74 C CA -0.780 58.235 59.018 -0.004 0.000 1.749 74 C CB -0.838 26.885 27.740 -0.029 0.000 2.313 74 C HN 0.351 nan 8.230 nan 0.000 0.644 75 N N 1.623 120.358 118.700 0.058 0.000 2.705 75 N HA -0.171 4.574 4.740 0.008 0.000 0.255 75 N C -0.042 175.483 175.510 0.025 0.000 1.008 75 N CA 1.150 54.208 53.050 0.013 0.000 0.742 75 N CB -0.915 37.571 38.487 -0.001 0.000 0.906 75 N HN 0.737 nan 8.380 nan 0.000 0.541 76 A N -0.617 122.265 122.820 0.104 0.000 2.302 76 A HA 0.691 5.016 4.320 0.008 0.000 0.285 76 A C 0.696 178.317 177.584 0.062 0.000 1.105 76 A CA -0.026 52.115 52.037 0.172 0.000 0.816 76 A CB 1.268 20.375 19.000 0.178 0.000 1.067 76 A HN 0.303 nan 8.150 nan 0.000 0.489 77 S N -0.881 114.881 115.700 0.103 0.000 2.759 77 S HA 0.755 5.230 4.470 0.008 0.000 0.310 77 S C -1.283 173.226 174.600 -0.153 0.000 1.123 77 S CA -0.435 57.770 58.200 0.010 0.000 0.959 77 S CB 0.489 63.777 63.200 0.148 0.000 1.172 77 S HN 0.465 nan 8.310 nan 0.000 0.539 78 Y N 1.314 121.613 120.300 -0.001 0.000 2.387 78 Y HA 0.554 5.109 4.550 0.008 0.000 0.330 78 Y C 0.349 176.051 175.900 -0.330 0.000 1.133 78 Y CA -0.512 57.463 58.100 -0.208 0.000 1.152 78 Y CB 1.200 39.464 38.460 -0.326 0.000 1.215 78 Y HN 0.489 nan 8.280 nan 0.000 0.466 79 K N 1.646 121.919 120.400 -0.211 0.000 2.463 79 K HA 0.535 4.860 4.320 0.008 0.000 0.255 79 K C -1.047 175.630 176.600 0.128 0.000 0.942 79 K CA -0.365 55.795 56.287 -0.210 0.000 0.814 79 K CB 1.406 33.666 32.500 -0.399 0.000 1.122 79 K HN 0.635 nan 8.250 nan 0.000 0.425 80 V N 2.003 121.994 119.914 0.129 0.000 3.621 80 V HA 0.350 4.475 4.120 0.008 0.000 0.263 80 V C 0.235 176.281 176.094 -0.079 0.000 1.272 80 V CA 0.712 63.093 62.300 0.136 0.000 1.080 80 V CB 0.375 32.222 31.823 0.041 0.000 0.816 80 V HN 0.858 nan 8.190 nan 0.000 0.451 81 A N -0.489 122.259 122.820 -0.119 0.000 2.483 81 A HA 0.709 5.034 4.320 0.008 0.000 0.294 81 A C -1.810 175.731 177.584 -0.071 0.000 1.077 81 A CA -0.493 51.360 52.037 -0.306 0.000 0.633 81 A CB 0.788 19.660 19.000 -0.213 0.000 1.318 81 A HN 0.031 nan 8.150 nan 0.000 0.455 82 I N 1.017 121.529 120.570 -0.096 0.000 2.406 82 I HA 0.387 4.562 4.170 0.008 0.000 0.290 82 I C -0.036 175.981 176.117 -0.166 0.000 0.999 82 I CA -0.436 60.800 61.300 -0.107 0.000 1.124 82 I CB 1.871 39.733 38.000 -0.229 0.000 1.289 82 I HN 0.632 nan 8.210 nan 0.000 0.441 83 K N 6.833 127.075 120.400 -0.262 0.000 2.263 83 K HA 0.418 4.743 4.320 0.008 0.000 0.272 83 K C -1.336 174.933 176.600 -0.552 0.000 1.033 83 K CA -0.460 55.517 56.287 -0.517 0.000 0.884 83 K CB 0.658 32.681 32.500 -0.795 0.000 1.107 83 K HN 0.302 nan 8.250 nan 0.000 0.460 84 F N 5.861 125.411 119.950 -0.667 0.000 2.390 84 F HA 0.330 4.861 4.527 0.008 0.000 0.361 84 F C 0.219 175.829 175.800 -0.317 0.000 1.124 84 F CA -0.462 57.127 58.000 -0.686 0.000 1.149 84 F CB 0.566 38.564 39.000 -1.671 0.000 1.160 84 F HN 0.274 nan 8.300 nan 0.000 0.501 85 I N 4.484 125.193 120.570 0.232 0.000 2.354 85 I HA 0.239 4.414 4.170 0.008 0.000 0.292 85 I C -0.074 176.215 176.117 0.286 0.000 0.989 85 I CA -0.681 60.752 61.300 0.222 0.000 1.188 85 I CB 1.052 39.119 38.000 0.111 0.000 1.342 85 I HN 0.568 nan 8.210 nan 0.000 0.457 86 N N 3.992 122.808 118.700 0.193 0.000 2.747 86 N HA -0.220 4.525 4.740 0.008 0.000 0.249 86 N C 0.018 175.522 175.510 -0.009 0.000 1.107 86 N CA 0.876 53.966 53.050 0.067 0.000 0.707 86 N CB -1.129 37.344 38.487 -0.024 0.000 1.054 86 N HN 0.718 nan 8.380 nan 0.000 0.555 87 W N 0.239 121.544 121.300 0.008 0.000 2.905 87 W HA 0.161 4.826 4.660 0.009 0.000 0.251 87 W C 1.893 178.321 176.519 -0.152 0.000 1.305 87 W CA 0.320 57.633 57.345 -0.054 0.000 1.465 87 W CB 0.174 29.709 29.460 0.124 0.000 1.122 87 W HN 0.104 nan 8.180 nan 0.000 0.659 88 R N -0.705 119.856 120.500 0.103 0.000 2.437 88 R HA 0.139 4.484 4.340 0.008 0.000 0.257 88 R C 0.280 176.546 176.300 -0.056 0.000 0.927 88 R CA 0.414 56.525 56.100 0.018 0.000 1.078 88 R CB 0.341 30.688 30.300 0.079 0.000 1.161 88 R HN -0.100 nan 8.270 nan 0.000 0.529 89 T N -2.064 112.434 114.554 -0.092 0.000 2.876 89 T HA 0.723 5.078 4.350 0.008 0.000 0.289 89 T C -0.053 174.560 174.700 -0.144 0.000 1.014 89 T CA -0.982 61.062 62.100 -0.093 0.000 0.986 89 T CB 2.284 71.124 68.868 -0.047 0.000 1.021 89 T HN 0.058 nan 8.240 nan 0.000 0.458 90 A N 1.311 124.064 122.820 -0.112 0.000 2.386 90 A HA 0.864 5.189 4.320 0.008 0.000 0.248 90 A C 0.944 178.486 177.584 -0.070 0.000 1.082 90 A CA 0.318 52.294 52.037 -0.102 0.000 0.789 90 A CB -0.437 18.529 19.000 -0.058 0.000 1.025 90 A HN 2.143 nan 8.150 nan 0.000 0.490 91 G N 0.227 108.997 108.800 -0.051 0.000 2.359 91 G HA2 0.342 4.307 3.960 0.008 0.000 0.314 91 G HA3 0.342 4.307 3.960 0.008 0.000 0.314 91 G C -0.966 173.916 174.900 -0.029 0.000 1.364 91 G CA -0.821 44.257 45.100 -0.037 0.000 0.978 91 G HN 0.723 nan 8.290 nan 0.000 0.615 92 E N -0.552 119.624 120.200 -0.039 0.000 2.416 92 E HA 0.437 4.792 4.350 0.008 0.000 0.254 92 E C 1.014 177.555 176.600 -0.097 0.000 1.241 92 E CA 0.365 56.732 56.400 -0.055 0.000 0.969 92 E CB 0.531 30.192 29.700 -0.065 0.000 0.999 92 E HN 0.955 nan 8.360 nan 0.000 0.481 93 G N 0.395 109.107 108.800 -0.147 0.000 2.372 93 G HA2 0.267 4.233 3.960 0.008 0.000 0.286 93 G HA3 0.267 4.233 3.960 0.008 0.000 0.286 93 G C -0.168 174.565 174.900 -0.278 0.000 1.153 93 G CA 0.080 45.042 45.100 -0.230 0.000 0.985 93 G HN 0.225 nan 8.290 nan 0.000 0.429 94 T N -0.093 114.308 114.554 -0.254 0.000 2.903 94 T HA 0.447 4.802 4.350 0.008 0.000 0.299 94 T C 1.475 175.990 174.700 -0.309 0.000 1.093 94 T CA 0.127 62.054 62.100 -0.288 0.000 1.002 94 T CB 1.504 70.269 68.868 -0.172 0.000 1.127 94 T HN 0.558 nan 8.240 nan 0.000 0.488 95 S N 1.761 117.224 115.700 -0.395 0.000 2.527 95 S HA 0.154 4.629 4.470 0.008 0.000 0.222 95 S C 0.337 174.868 174.600 -0.115 0.000 0.985 95 S CA 0.003 58.003 58.200 -0.333 0.000 0.921 95 S CB -0.082 62.840 63.200 -0.463 0.000 0.772 95 S HN 0.703 nan 8.310 nan 0.000 0.529 96 E N 2.043 122.190 120.200 -0.089 0.000 2.174 96 E HA 0.555 4.910 4.350 0.008 0.000 0.282 96 E C -0.404 176.191 176.600 -0.008 0.000 0.992 96 E CA -0.294 56.093 56.400 -0.022 0.000 0.803 96 E CB 1.525 31.219 29.700 -0.011 0.000 1.090 96 E HN 0.386 nan 8.360 nan 0.000 0.396 97 A N 4.584 127.421 122.820 0.028 0.000 2.488 97 A HA 0.135 4.460 4.320 0.008 0.000 0.249 97 A C 0.547 178.151 177.584 0.033 0.000 1.083 97 A CA -0.032 52.033 52.037 0.047 0.000 0.768 97 A CB 0.245 19.307 19.000 0.104 0.000 1.017 97 A HN 0.516 nan 8.150 nan 0.000 0.496 98 R N 0.860 121.372 120.500 0.019 0.000 2.649 98 R HA 0.238 4.583 4.340 0.008 0.000 0.270 98 R C 0.295 176.603 176.300 0.014 0.000 1.105 98 R CA -0.622 55.483 56.100 0.007 0.000 1.193 98 R CB 0.496 30.791 30.300 -0.009 0.000 1.120 98 R HN 0.825 nan 8.270 nan 0.000 0.561 99 E N 1.932 122.135 120.200 0.005 0.000 2.283 99 E HA 0.185 4.540 4.350 0.008 0.000 0.278 99 E C -1.255 175.343 176.600 -0.004 0.000 1.027 99 E CA -0.130 56.271 56.400 0.001 0.000 0.843 99 E CB 0.923 30.623 29.700 -0.001 0.000 1.062 99 E HN 0.323 nan 8.360 nan 0.000 0.401 100 L N 4.375 125.593 121.223 -0.008 0.000 2.516 100 L HA 0.178 4.523 4.340 0.008 0.000 0.267 100 L C -1.078 175.784 176.870 -0.014 0.000 0.957 100 L CA -0.442 54.394 54.840 -0.007 0.000 0.860 100 L CB 1.345 43.405 42.059 0.002 0.000 1.265 100 L HN 0.626 nan 8.230 nan 0.000 0.403 101 D N 4.237 124.630 120.400 -0.011 0.000 2.704 101 D HA -0.199 4.446 4.640 0.008 0.000 0.232 101 D C 1.054 177.342 176.300 -0.021 0.000 1.183 101 D CA 1.543 55.535 54.000 -0.013 0.000 0.647 101 D CB -0.825 39.972 40.800 -0.006 0.000 1.013 101 D HN 1.121 nan 8.370 nan 0.000 0.415 102 G N -1.444 107.344 108.800 -0.020 0.000 2.147 102 G HA2 0.040 4.005 3.960 0.008 0.000 0.244 102 G HA3 0.040 4.005 3.960 0.008 0.000 0.244 102 G C 0.533 175.413 174.900 -0.033 0.000 1.005 102 G CA 0.428 45.514 45.100 -0.024 0.000 0.713 102 G HN 1.192 nan 8.290 nan 0.000 0.515 103 G N -1.106 107.671 108.800 -0.038 0.000 2.623 103 G HA2 0.808 4.773 3.960 0.008 0.000 0.290 103 G HA3 0.808 4.773 3.960 0.008 0.000 0.290 103 G C -3.142 171.733 174.900 -0.042 0.000 1.437 103 G CA -0.239 44.829 45.100 -0.053 0.000 0.798 103 G HN 0.299 nan 8.290 nan 0.000 0.488 104 P HA 0.161 nan 4.420 nan 0.000 0.271 104 P C -0.860 176.416 177.300 -0.040 0.000 1.218 104 P CA 0.005 63.118 63.100 0.022 0.000 0.780 104 P CB 1.314 33.107 31.700 0.155 0.000 0.901 105 D N 2.977 123.393 120.400 0.028 0.000 2.508 105 D HA 0.048 4.693 4.640 0.008 0.000 0.224 105 D C -0.106 176.262 176.300 0.113 0.000 1.171 105 D CA 0.146 54.174 54.000 0.047 0.000 1.006 105 D CB -0.749 40.088 40.800 0.063 0.000 1.073 105 D HN 0.454 nan 8.370 nan 0.000 0.513 106 H N 0.373 119.475 119.070 0.054 0.000 3.037 106 H HA 0.569 5.130 4.556 0.008 0.000 0.355 106 H C -1.453 173.888 175.328 0.021 0.000 1.263 106 H CA -1.083 54.924 56.048 -0.069 0.000 1.129 106 H CB 0.896 30.522 29.762 -0.227 0.000 1.861 106 H HN 0.116 nan 8.280 nan 0.000 0.546 107 F N -0.499 119.470 119.950 0.032 0.000 2.678 107 F HA 0.595 5.127 4.527 0.008 0.000 0.308 107 F C -2.425 173.315 175.800 -0.100 0.000 1.118 107 F CA -1.265 56.725 58.000 -0.016 0.000 0.959 107 F CB 0.980 39.965 39.000 -0.025 0.000 1.305 107 F HN 0.402 nan 8.300 nan 0.000 0.443 108 Y N 0.956 121.373 120.300 0.195 0.000 2.387 108 Y HA 0.410 4.966 4.550 0.009 0.000 0.336 108 Y C -0.263 175.686 175.900 0.082 0.000 1.067 108 Y CA -0.689 57.416 58.100 0.008 0.000 1.114 108 Y CB 1.357 39.691 38.460 -0.209 0.000 1.208 108 Y HN 0.846 nan 8.280 nan 0.000 0.458 109 H N 2.059 121.217 119.070 0.147 0.000 2.691 109 H HA 0.483 5.044 4.556 0.008 0.000 0.281 109 H C -0.882 174.332 175.328 -0.190 0.000 1.121 109 H CA -0.469 55.597 56.048 0.030 0.000 1.254 109 H CB 0.470 30.362 29.762 0.216 0.000 1.390 109 H HN 0.709 nan 8.280 nan 0.000 0.491 110 S N 3.444 118.971 115.700 -0.289 0.000 2.693 110 S HA 0.259 4.734 4.470 0.008 0.000 0.276 110 S C -0.343 174.080 174.600 -0.295 0.000 1.192 110 S CA -0.680 57.262 58.200 -0.431 0.000 0.994 110 S CB 0.735 63.683 63.200 -0.421 0.000 1.012 110 S HN 0.336 nan 8.310 nan 0.000 0.550 111 F N 1.178 121.124 119.950 -0.007 0.000 2.375 111 F HA 0.626 5.158 4.527 0.009 0.000 0.313 111 F C 1.396 177.342 175.800 0.242 0.000 1.176 111 F CA 0.551 58.608 58.000 0.095 0.000 1.142 111 F CB -0.128 38.863 39.000 -0.016 0.000 1.275 111 F HN 0.868 nan 8.300 nan 0.000 0.544 112 G N 0.024 109.184 108.800 0.600 0.000 2.549 112 G HA2 -0.004 3.961 3.960 0.008 0.000 0.404 112 G HA3 -0.004 3.961 3.960 0.008 0.000 0.404 112 G C -1.940 173.021 174.900 0.103 0.000 1.292 112 G CA -0.968 44.347 45.100 0.358 0.000 0.935 112 G HN 0.661 nan 8.290 nan 0.000 0.512 113 L N -0.447 120.738 121.223 -0.063 0.000 2.401 113 L HA 0.614 4.959 4.340 0.008 0.000 0.266 113 L C 0.638 177.358 176.870 -0.249 0.000 0.991 113 L CA -1.017 53.704 54.840 -0.198 0.000 0.818 113 L CB 1.989 43.853 42.059 -0.325 0.000 1.321 113 L HN 0.609 nan 8.230 nan 0.000 0.413 114 L N 2.330 123.380 121.223 -0.288 0.000 2.485 114 L HA 0.141 4.486 4.340 0.008 0.000 0.275 114 L C 0.614 177.264 176.870 -0.365 0.000 1.207 114 L CA 0.124 54.744 54.840 -0.368 0.000 0.855 114 L CB 0.341 42.239 42.059 -0.269 0.000 1.114 114 L HN 0.581 nan 8.230 nan 0.000 0.485 115 K N 2.255 122.467 120.400 -0.313 0.000 2.295 115 K HA 0.127 4.452 4.320 0.008 0.000 0.270 115 K C -1.109 175.370 176.600 -0.203 0.000 1.011 115 K CA -0.344 55.813 56.287 -0.218 0.000 0.953 115 K CB 0.532 32.922 32.500 -0.183 0.000 0.956 115 K HN 0.258 nan 8.250 nan 0.000 0.477 116 Y N 2.121 122.389 120.300 -0.053 0.000 2.308 116 Y HA 0.157 4.712 4.550 0.007 0.000 0.329 116 Y C 0.080 176.005 175.900 0.042 0.000 1.111 116 Y CA -0.150 57.946 58.100 -0.006 0.000 1.179 116 Y CB 1.075 39.520 38.460 -0.024 0.000 1.201 116 Y HN 0.516 nan 8.280 nan 0.000 0.483 117 H N 4.403 123.572 119.070 0.164 0.000 2.800 117 H HA 0.181 4.742 4.556 0.008 0.000 0.322 117 H C -0.630 174.788 175.328 0.149 0.000 0.979 117 H CA -0.559 55.501 56.048 0.020 0.000 1.277 117 H CB 0.800 30.381 29.762 -0.303 0.000 1.484 117 H HN 0.749 nan 8.280 nan 0.000 0.512 118 E N 4.476 124.532 120.200 -0.239 0.000 2.297 118 E HA -0.277 4.078 4.350 0.008 0.000 0.228 118 E C 0.364 176.951 176.600 -0.020 0.000 1.213 118 E CA 1.217 57.517 56.400 -0.167 0.000 0.712 118 E CB -1.333 28.235 29.700 -0.220 0.000 1.202 118 E HN 0.974 nan 8.360 nan 0.000 0.376 119 Q N -2.667 117.124 119.800 -0.015 0.000 2.324 119 Q HA -0.218 4.127 4.340 0.008 0.000 0.200 119 Q C 0.109 176.164 176.000 0.092 0.000 0.645 119 Q CA 1.600 57.355 55.803 -0.079 0.000 1.377 119 Q CB -0.885 27.791 28.738 -0.104 0.000 1.486 119 Q HN 0.567 nan 8.270 nan 0.000 0.796 120 I N 0.714 121.442 120.570 0.264 0.000 2.465 120 I HA 0.375 4.550 4.170 0.008 0.000 0.291 120 I C -2.327 173.931 176.117 0.234 0.000 1.014 120 I CA -2.547 58.864 61.300 0.185 0.000 1.093 120 I CB 1.802 39.797 38.000 -0.008 0.000 1.267 120 I HN -0.268 nan 8.210 nan 0.000 0.431 121 P HA -0.018 nan 4.420 nan 0.000 0.266 121 P C 0.619 177.938 177.300 0.032 0.000 1.195 121 P CA -0.276 62.662 63.100 -0.270 0.000 0.768 121 P CB 0.684 32.166 31.700 -0.363 0.000 0.838 122 L N 3.955 125.191 121.223 0.022 0.000 2.189 122 L HA -0.244 4.101 4.340 0.008 0.000 0.214 122 L C 2.107 179.186 176.870 0.347 0.000 1.097 122 L CA 2.296 57.216 54.840 0.134 0.000 0.764 122 L CB -1.366 40.597 42.059 -0.160 0.000 0.900 122 L HN 0.421 nan 8.230 nan 0.000 0.436 123 S N -1.767 114.070 115.700 0.227 0.000 2.374 123 S HA -0.290 4.185 4.470 0.008 0.000 0.227 123 S C 1.930 176.717 174.600 0.312 0.000 1.037 123 S CA 1.527 59.836 58.200 0.182 0.000 1.024 123 S CB -0.942 61.810 63.200 -0.746 0.000 0.861 123 S HN 0.602 nan 8.310 nan 0.000 0.456 124 H N 0.299 119.381 119.070 0.020 0.000 2.423 124 H HA 0.106 4.667 4.556 0.009 0.000 0.297 124 H C 1.724 177.105 175.328 0.088 0.000 1.075 124 H CA 1.514 57.579 56.048 0.030 0.000 1.342 124 H CB -0.701 28.978 29.762 -0.138 0.000 1.395 124 H HN 0.561 nan 8.280 nan 0.000 0.530 125 Y N -1.530 119.003 120.300 0.387 0.000 2.286 125 Y HA -0.162 4.393 4.550 0.009 0.000 0.293 125 Y C 2.348 178.498 175.900 0.416 0.000 1.124 125 Y CA 0.820 59.139 58.100 0.367 0.000 1.178 125 Y CB -0.557 38.133 38.460 0.382 0.000 1.010 125 Y HN 0.290 nan 8.280 nan 0.000 0.536 126 W N 0.131 121.802 121.300 0.618 0.000 2.355 126 W HA -0.301 4.364 4.660 0.008 0.000 0.309 126 W C 2.089 178.777 176.519 0.281 0.000 1.206 126 W CA 1.657 59.253 57.345 0.419 0.000 1.284 126 W CB -0.976 28.799 29.460 0.525 0.000 1.145 126 W HN 0.094 nan 8.180 nan 0.000 0.502 127 F N 1.961 121.814 119.950 -0.162 0.000 2.171 127 F HA -0.145 4.387 4.527 0.008 0.000 0.300 127 F C 2.149 177.744 175.800 -0.342 0.000 1.090 127 F CA 2.387 60.041 58.000 -0.575 0.000 1.293 127 F CB -1.111 37.798 39.000 -0.152 0.000 1.013 127 F HN 0.005 nan 8.300 nan 0.000 0.486 128 D N -0.083 120.151 120.400 -0.277 0.000 2.104 128 D HA -0.209 4.436 4.640 0.008 0.000 0.194 128 D C 2.245 178.368 176.300 -0.296 0.000 0.994 128 D CA 1.683 55.510 54.000 -0.288 0.000 0.830 128 D CB -0.116 40.641 40.800 -0.071 0.000 0.959 128 D HN 0.268 nan 8.370 nan 0.000 0.452 129 R N 0.136 120.483 120.500 -0.254 0.000 2.075 129 R HA -0.046 4.299 4.340 0.008 0.000 0.232 129 R C 2.559 178.643 176.300 -0.359 0.000 1.126 129 R CA 1.185 57.134 56.100 -0.252 0.000 0.963 129 R CB -0.890 29.270 30.300 -0.234 0.000 0.858 129 R HN 0.149 nan 8.270 nan 0.000 0.435 130 S N 0.654 116.012 115.700 -0.571 0.000 2.356 130 S HA -0.202 4.273 4.470 0.008 0.000 0.223 130 S C 1.877 176.203 174.600 -0.457 0.000 1.032 130 S CA 1.039 58.910 58.200 -0.549 0.000 1.005 130 S CB -0.338 62.358 63.200 -0.841 0.000 0.867 130 S HN 0.434 nan 8.310 nan 0.000 0.449 131 Y N 2.011 121.832 120.300 -0.799 0.000 2.165 131 Y HA -0.005 4.550 4.550 0.008 0.000 0.286 131 Y C 2.056 177.720 175.900 -0.394 0.000 1.155 131 Y CA 1.736 59.422 58.100 -0.691 0.000 1.164 131 Y CB -0.118 37.727 38.460 -1.026 0.000 0.978 131 Y HN 0.206 nan 8.280 nan 0.000 0.513 132 R N -0.067 120.284 120.500 -0.249 0.000 2.325 132 R HA 0.162 4.507 4.340 0.008 0.000 0.214 132 R C 1.305 177.476 176.300 -0.215 0.000 0.961 132 R CA 0.549 56.523 56.100 -0.210 0.000 1.086 132 R CB -0.399 29.838 30.300 -0.104 0.000 1.037 132 R HN 0.540 nan 8.270 nan 0.000 0.493 133 G N 1.635 110.288 108.800 -0.246 0.000 2.187 133 G HA2 -0.306 3.659 3.960 0.008 0.000 0.261 133 G HA3 -0.306 3.659 3.960 0.008 0.000 0.261 133 G C 0.874 175.685 174.900 -0.148 0.000 1.000 133 G CA 0.340 45.327 45.100 -0.189 0.000 0.718 133 G HN 0.209 nan 8.290 nan 0.000 0.519 134 K N -0.549 119.756 120.400 -0.157 0.000 2.418 134 K HA 0.158 4.483 4.320 0.008 0.000 0.195 134 K C 1.073 177.595 176.600 -0.129 0.000 1.035 134 K CA 1.153 57.363 56.287 -0.128 0.000 1.003 134 K CB 0.368 32.795 32.500 -0.121 0.000 0.793 134 K HN 0.512 nan 8.250 nan 0.000 0.494 135 T N -1.149 113.316 114.554 -0.149 0.000 2.853 135 T HA 0.340 4.695 4.350 0.008 0.000 0.311 135 T C -0.317 174.335 174.700 -0.080 0.000 1.307 135 T CA -0.541 61.491 62.100 -0.113 0.000 1.019 135 T CB 1.576 70.361 68.868 -0.137 0.000 1.264 135 T HN -0.154 nan 8.240 nan 0.000 0.497 136 V N -0.049 119.857 119.914 -0.014 0.000 3.382 136 V HA 0.532 4.658 4.120 0.008 0.000 0.296 136 V C 0.484 176.641 176.094 0.104 0.000 1.529 136 V CA -0.221 62.094 62.300 0.026 0.000 1.048 136 V CB -0.026 31.796 31.823 -0.001 0.000 0.878 136 V HN 0.845 nan 8.190 nan 0.000 0.442 137 E N 2.562 122.844 120.200 0.137 0.000 2.360 137 E HA 0.273 4.628 4.350 0.008 0.000 0.269 137 E C -2.338 174.492 176.600 0.383 0.000 1.022 137 E CA -1.713 54.800 56.400 0.188 0.000 0.887 137 E CB 0.917 30.711 29.700 0.156 0.000 0.990 137 E HN 0.305 nan 8.360 nan 0.000 0.426 138 P HA -0.068 nan 4.420 nan 0.000 0.268 138 P C -0.005 177.367 177.300 0.120 0.000 1.208 138 P CA -0.039 63.241 63.100 0.301 0.000 0.777 138 P CB 0.319 32.168 31.700 0.249 0.000 0.875 139 F N 3.409 123.081 119.950 -0.463 0.000 2.091 139 F HA -0.294 4.238 4.527 0.008 0.000 0.299 139 F C 1.776 177.325 175.800 -0.418 0.000 1.103 139 F CA 2.426 59.661 58.000 -1.276 0.000 1.228 139 F CB -0.600 37.554 39.000 -1.409 0.000 0.984 139 F HN 0.345 nan 8.300 nan 0.000 0.477 140 D N -0.847 119.309 120.400 -0.407 0.000 2.117 140 D HA -0.277 4.368 4.640 0.008 0.000 0.197 140 D C 2.045 178.206 176.300 -0.231 0.000 0.987 140 D CA 1.710 55.487 54.000 -0.373 0.000 0.829 140 D CB -1.513 39.211 40.800 -0.126 0.000 0.961 140 D HN 0.456 nan 8.370 nan 0.000 0.460 141 Y N 1.148 121.410 120.300 -0.063 0.000 2.373 141 Y HA 0.156 4.712 4.550 0.009 0.000 0.293 141 Y C 2.826 178.729 175.900 0.005 0.000 1.129 141 Y CA 0.989 59.095 58.100 0.010 0.000 1.226 141 Y CB -0.231 38.260 38.460 0.051 0.000 1.000 141 Y HN 0.109 nan 8.280 nan 0.000 0.549 142 A N -1.652 121.223 122.820 0.093 0.000 1.935 142 A HA -0.092 4.233 4.320 0.008 0.000 0.214 142 A C 1.930 179.617 177.584 0.172 0.000 1.178 142 A CA 1.479 53.610 52.037 0.157 0.000 0.640 142 A CB -0.987 18.145 19.000 0.220 0.000 0.825 142 A HN 0.504 nan 8.150 nan 0.000 0.447 143 C N -2.372 116.860 119.300 -0.113 0.000 2.865 143 C HA 0.391 4.856 4.460 0.008 0.000 0.280 143 C C 0.104 174.875 174.990 -0.365 0.000 1.255 143 C CA -0.589 58.284 59.018 -0.241 0.000 1.705 143 C CB -1.352 26.092 27.740 -0.493 0.000 2.080 143 C HN 0.493 nan 8.230 nan 0.000 0.591 144 Y N 1.303 121.438 120.300 -0.275 0.000 2.446 144 Y HA 0.321 4.876 4.550 0.009 0.000 0.345 144 Y C 1.303 177.095 175.900 -0.179 0.000 0.984 144 Y CA -0.950 57.018 58.100 -0.220 0.000 1.058 144 Y CB 1.062 39.369 38.460 -0.255 0.000 1.220 144 Y HN 0.046 nan 8.280 nan 0.000 0.455 145 K N -0.349 120.058 120.400 0.013 0.000 2.305 145 K HA 0.003 4.328 4.320 0.008 0.000 0.199 145 K C 0.536 177.093 176.600 -0.070 0.000 1.047 145 K CA 1.196 57.469 56.287 -0.024 0.000 0.976 145 K CB 0.193 32.679 32.500 -0.024 0.000 0.765 145 K HN 0.554 nan 8.250 nan 0.000 0.474 146 E N 1.963 122.110 120.200 -0.088 0.000 2.058 146 E HA -0.101 4.254 4.350 0.008 0.000 0.194 146 E C -0.953 175.398 176.600 -0.415 0.000 0.997 146 E CA 1.405 57.678 56.400 -0.211 0.000 0.801 146 E CB -1.319 28.252 29.700 -0.215 0.000 0.746 146 E HN 0.288 nan 8.360 nan 0.000 0.450 147 P HA -0.221 nan 4.420 nan 0.000 0.218 147 P C 1.308 178.392 177.300 -0.361 0.000 1.154 147 P CA 1.217 63.815 63.100 -0.837 0.000 0.872 147 P CB 0.047 31.053 31.700 -1.156 0.000 0.790 148 V N 0.091 119.920 119.914 -0.142 0.000 2.358 148 V HA -0.212 3.913 4.120 0.008 0.000 0.246 148 V C 2.342 178.449 176.094 0.021 0.000 1.047 148 V CA 1.939 64.283 62.300 0.074 0.000 1.035 148 V CB -1.299 30.590 31.823 0.110 0.000 0.658 148 V HN 0.147 nan 8.190 nan 0.000 0.452 149 I N -2.434 118.106 120.570 -0.050 0.000 2.761 149 I HA -0.083 4.092 4.170 0.008 0.000 0.261 149 I C 2.106 178.206 176.117 -0.028 0.000 1.198 149 I CA 1.403 62.684 61.300 -0.032 0.000 1.482 149 I CB -0.404 37.565 38.000 -0.052 0.000 1.100 149 I HN 0.166 nan 8.210 nan 0.000 0.445 150 L N 0.994 122.148 121.223 -0.115 0.000 2.179 150 L HA -0.064 4.281 4.340 0.008 0.000 0.208 150 L C 1.979 178.922 176.870 0.122 0.000 1.096 150 L CA 0.905 55.716 54.840 -0.049 0.000 0.779 150 L CB -0.737 41.069 42.059 -0.422 0.000 0.922 150 L HN 0.209 nan 8.230 nan 0.000 0.443 151 D N 0.739 121.199 120.400 0.099 0.000 2.263 151 D HA -0.115 4.530 4.640 0.008 0.000 0.208 151 D C 1.669 178.074 176.300 0.175 0.000 0.971 151 D CA 1.255 55.373 54.000 0.197 0.000 0.867 151 D CB 0.219 41.172 40.800 0.255 0.000 0.929 151 D HN 0.296 nan 8.370 nan 0.000 0.492 152 A N -0.137 122.764 122.820 0.134 0.000 2.500 152 A HA 0.149 4.474 4.320 0.008 0.000 0.267 152 A C 0.382 178.031 177.584 0.108 0.000 1.290 152 A CA -0.298 51.806 52.037 0.111 0.000 0.928 152 A CB -0.691 18.358 19.000 0.081 0.000 1.066 152 A HN 0.222 nan 8.150 nan 0.000 0.516 153 N N 0.219 119.007 118.700 0.147 0.000 2.721 153 N HA -0.152 4.593 4.740 0.008 0.000 0.249 153 N C -0.302 175.246 175.510 0.064 0.000 1.072 153 N CA 0.084 53.205 53.050 0.119 0.000 0.710 153 N CB -0.517 38.025 38.487 0.092 0.000 0.993 153 N HN 0.402 nan 8.380 nan 0.000 0.547 154 R N 0.696 121.220 120.500 0.039 0.000 2.679 154 R HA 0.244 4.589 4.340 0.008 0.000 0.269 154 R C 0.773 177.034 176.300 -0.065 0.000 1.076 154 R CA -0.135 55.961 56.100 -0.008 0.000 1.160 154 R CB 0.868 31.153 30.300 -0.025 0.000 1.054 154 R HN 0.150 nan 8.270 nan 0.000 0.507 155 S N 1.892 117.519 115.700 -0.121 0.000 2.584 155 S HA 0.219 4.694 4.470 0.008 0.000 0.273 155 S C -1.409 172.958 174.600 -0.388 0.000 1.311 155 S CA -1.409 56.622 58.200 -0.281 0.000 1.034 155 S CB 0.776 63.782 63.200 -0.322 0.000 0.939 155 S HN 0.390 nan 8.310 nan 0.000 0.513 156 P HA 0.079 nan 4.420 nan 0.000 0.241 156 P C -0.333 176.632 177.300 -0.559 0.000 1.191 156 P CA 0.408 63.207 63.100 -0.501 0.000 0.771 156 P CB 0.172 31.497 31.700 -0.626 0.000 0.929 157 R N -0.258 119.750 120.500 -0.820 0.000 2.686 157 R HA 0.471 4.816 4.340 0.008 0.000 0.283 157 R C 0.253 176.201 176.300 -0.586 0.000 0.978 157 R CA -0.861 54.784 56.100 -0.758 0.000 0.897 157 R CB 2.246 31.864 30.300 -1.138 0.000 1.192 157 R HN -0.061 nan 8.270 nan 0.000 0.457 158 R N 1.241 121.584 120.500 -0.261 0.000 2.637 158 R HA 0.187 4.532 4.340 0.008 0.000 0.269 158 R C 1.297 177.648 176.300 0.085 0.000 1.089 158 R CA -0.434 55.618 56.100 -0.081 0.000 1.177 158 R CB 0.505 30.783 30.300 -0.037 0.000 1.091 158 R HN 0.496 nan 8.270 nan 0.000 0.540 159 L N 1.055 122.365 121.223 0.144 0.000 2.187 159 L HA -0.220 4.125 4.340 0.008 0.000 0.213 159 L C 1.557 178.515 176.870 0.147 0.000 1.100 159 L CA 1.313 56.272 54.840 0.198 0.000 0.765 159 L CB -0.588 41.524 42.059 0.088 0.000 0.904 159 L HN 0.753 nan 8.230 nan 0.000 0.437 160 D N -0.632 119.824 120.400 0.094 0.000 2.363 160 D HA -0.002 4.643 4.640 0.008 0.000 0.226 160 D C 1.502 177.856 176.300 0.090 0.000 1.020 160 D CA 0.887 54.927 54.000 0.067 0.000 0.892 160 D CB 0.161 40.983 40.800 0.037 0.000 0.900 160 D HN 0.311 nan 8.370 nan 0.000 0.531 161 G N 0.075 108.967 108.800 0.154 0.000 2.234 161 G HA2 -0.287 3.678 3.960 0.008 0.000 0.235 161 G HA3 -0.287 3.678 3.960 0.008 0.000 0.235 161 G C 0.400 175.326 174.900 0.043 0.000 0.997 161 G CA 0.269 45.462 45.100 0.156 0.000 0.623 161 G HN 0.857 nan 8.290 nan 0.000 0.514 162 S N 0.527 116.235 115.700 0.013 0.000 2.537 162 S HA 0.452 4.927 4.470 0.008 0.000 0.286 162 S C 0.223 174.786 174.600 -0.062 0.000 1.299 162 S CA 0.562 58.757 58.200 -0.009 0.000 1.067 162 S CB 1.612 64.810 63.200 -0.004 0.000 0.864 162 S HN 1.005 nan 8.310 nan 0.000 0.494 163 K N 1.501 121.883 120.400 -0.030 0.000 2.205 163 K HA 0.424 4.749 4.320 0.008 0.000 0.279 163 K C 0.431 177.014 176.600 -0.028 0.000 1.027 163 K CA -0.718 55.545 56.287 -0.040 0.000 0.932 163 K CB 1.214 33.764 32.500 0.083 0.000 1.032 163 K HN 0.623 nan 8.250 nan 0.000 0.466 164 V N -0.428 119.452 119.914 -0.057 0.000 3.528 164 V HA 0.251 4.376 4.120 0.008 0.000 0.294 164 V C 0.141 176.228 176.094 -0.010 0.000 1.404 164 V CA 0.351 62.628 62.300 -0.037 0.000 1.065 164 V CB -0.031 31.754 31.823 -0.063 0.000 0.904 164 V HN 0.868 nan 8.190 nan 0.000 0.435 165 T N 0.393 114.959 114.554 0.020 0.000 2.733 165 T HA 0.378 4.733 4.350 0.008 0.000 0.312 165 T C -1.566 173.189 174.700 0.092 0.000 1.590 165 T CA -0.536 61.596 62.100 0.052 0.000 1.005 165 T CB 1.525 70.414 68.868 0.036 0.000 1.528 165 T HN 0.401 nan 8.240 nan 0.000 0.496 166 N N 1.462 120.210 118.700 0.079 0.000 2.514 166 N HA 0.590 5.335 4.740 0.008 0.000 0.277 166 N C -0.996 174.513 175.510 -0.002 0.000 1.126 166 N CA -0.153 52.863 53.050 -0.056 0.000 0.978 166 N CB 0.493 38.965 38.487 -0.024 0.000 1.106 166 N HN 0.612 nan 8.380 nan 0.000 0.461 167 Y N -0.690 119.432 120.300 -0.297 0.000 2.655 167 Y HA 0.858 5.412 4.550 0.008 0.000 0.336 167 Y C -0.971 174.457 175.900 -0.787 0.000 1.154 167 Y CA -1.365 56.546 58.100 -0.315 0.000 1.055 167 Y CB 0.609 38.916 38.460 -0.256 0.000 1.295 167 Y HN 0.497 nan 8.280 nan 0.000 0.465 168 A N 0.512 123.026 122.820 -0.510 0.000 3.458 168 A HA 0.874 5.199 4.320 0.008 0.000 0.205 168 A C -1.680 175.431 177.584 -0.788 0.000 1.060 168 A CA -0.860 50.615 52.037 -0.937 0.000 0.829 168 A CB 0.981 19.800 19.000 -0.302 0.000 1.419 168 A HN 0.796 nan 8.150 nan 0.000 0.644 169 W N -1.269 120.166 121.300 0.225 0.000 2.962 169 W HA 0.550 5.214 4.660 0.007 0.000 0.341 169 W C -1.148 175.406 176.519 0.057 0.000 1.155 169 W CA -0.227 57.237 57.345 0.198 0.000 1.165 169 W CB 1.007 30.809 29.460 0.571 0.000 1.435 169 W HN 0.748 nan 8.180 nan 0.000 0.546 170 H N 0.857 120.116 119.070 0.315 0.000 2.529 170 H HA 0.511 5.072 4.556 0.009 0.000 0.348 170 H C -0.814 174.630 175.328 0.193 0.000 1.079 170 H CA -0.552 55.542 56.048 0.078 0.000 1.198 170 H CB 2.065 31.882 29.762 0.091 0.000 1.521 170 H HN 0.245 nan 8.280 nan 0.000 0.514 171 F N -0.791 119.375 119.950 0.360 0.000 2.807 171 F HA 0.224 4.756 4.527 0.008 0.000 0.316 171 F C -1.629 174.313 175.800 0.238 0.000 1.162 171 F CA -1.440 56.727 58.000 0.279 0.000 0.910 171 F CB 0.729 39.927 39.000 0.330 0.000 1.314 171 F HN 0.275 nan 8.300 nan 0.000 0.454 172 D N 1.432 122.171 120.400 0.565 0.000 2.339 172 D HA 0.475 5.120 4.640 0.008 0.000 0.241 172 D C 1.128 177.793 176.300 0.608 0.000 1.183 172 D CA 0.489 54.767 54.000 0.463 0.000 0.859 172 D CB 1.758 42.741 40.800 0.304 0.000 1.067 172 D HN 0.893 nan 8.370 nan 0.000 0.484 173 A N 4.395 127.575 122.820 0.599 0.000 1.958 173 A HA -0.278 4.047 4.320 0.008 0.000 0.221 173 A C 1.591 179.352 177.584 0.295 0.000 1.178 173 A CA 1.715 54.039 52.037 0.478 0.000 0.642 173 A CB -0.839 18.325 19.000 0.274 0.000 0.816 173 A HN 0.787 nan 8.150 nan 0.000 0.453 174 H N -0.032 119.167 119.070 0.215 0.000 2.390 174 H HA -0.082 4.479 4.556 0.008 0.000 0.298 174 H C 1.840 177.256 175.328 0.147 0.000 1.106 174 H CA 1.662 57.809 56.048 0.165 0.000 1.297 174 H CB -0.437 29.410 29.762 0.142 0.000 1.375 174 H HN 0.449 nan 8.280 nan 0.000 0.509 175 L N -0.474 120.924 121.223 0.290 0.000 2.093 175 L HA -0.117 4.228 4.340 0.008 0.000 0.208 175 L C 2.240 179.208 176.870 0.163 0.000 1.085 175 L CA 0.645 55.602 54.840 0.195 0.000 0.755 175 L CB -0.365 41.794 42.059 0.167 0.000 0.904 175 L HN 0.174 nan 8.230 nan 0.000 0.435 176 V N 0.256 120.233 119.914 0.105 0.000 2.358 176 V HA -0.248 3.877 4.120 0.008 0.000 0.246 176 V C 2.797 179.001 176.094 0.183 0.000 1.047 176 V CA 1.724 64.058 62.300 0.058 0.000 1.035 176 V CB -0.861 30.831 31.823 -0.217 0.000 0.658 176 V HN 0.456 nan 8.190 nan 0.000 0.452 177 A N 0.014 122.928 122.820 0.157 0.000 1.902 177 A HA -0.253 4.072 4.320 0.008 0.000 0.217 177 A C 1.997 179.614 177.584 0.055 0.000 1.181 177 A CA 2.061 54.197 52.037 0.165 0.000 0.623 177 A CB -0.592 18.513 19.000 0.176 0.000 0.818 177 A HN 0.540 nan 8.150 nan 0.000 0.443 178 D N -1.205 119.236 120.400 0.070 0.000 2.144 178 D HA -0.108 4.538 4.640 0.008 0.000 0.200 178 D C 1.604 177.905 176.300 0.001 0.000 0.978 178 D CA 1.113 55.105 54.000 -0.013 0.000 0.833 178 D CB -0.441 40.396 40.800 0.062 0.000 0.961 178 D HN 0.475 nan 8.370 nan 0.000 0.470 179 F N 1.423 121.364 119.950 -0.016 0.000 2.134 179 F HA -0.117 4.415 4.527 0.008 0.000 0.299 179 F C 2.073 177.898 175.800 0.041 0.000 1.097 179 F CA 1.144 59.156 58.000 0.019 0.000 1.264 179 F CB -0.279 38.754 39.000 0.054 0.000 1.001 179 F HN -0.128 nan 8.300 nan 0.000 0.479 180 L N -0.149 121.111 121.223 0.062 0.000 2.156 180 L HA -0.133 4.212 4.340 0.008 0.000 0.208 180 L C 2.718 179.518 176.870 -0.117 0.000 1.095 180 L CA 1.185 56.059 54.840 0.056 0.000 0.770 180 L CB -0.693 41.536 42.059 0.283 0.000 0.914 180 L HN 0.091 nan 8.230 nan 0.000 0.439 181 R N 0.603 120.810 120.500 -0.489 0.000 2.073 181 R HA -0.164 4.181 4.340 0.008 0.000 0.234 181 R C 2.464 178.362 176.300 -0.670 0.000 1.134 181 R CA 1.497 56.856 56.100 -1.235 0.000 0.952 181 R CB -0.061 29.294 30.300 -1.574 0.000 0.850 181 R HN 0.304 nan 8.270 nan 0.000 0.433 182 R N -0.655 119.601 120.500 -0.406 0.000 2.081 182 R HA -0.154 4.191 4.340 0.008 0.000 0.235 182 R C 2.248 178.415 176.300 -0.222 0.000 1.131 182 R CA 1.584 57.525 56.100 -0.266 0.000 0.960 182 R CB -0.514 29.672 30.300 -0.191 0.000 0.856 182 R HN 0.237 nan 8.270 nan 0.000 0.436 183 F N 1.620 121.330 119.950 -0.400 0.000 2.075 183 F HA -0.138 4.394 4.527 0.008 0.000 0.297 183 F C 2.323 178.009 175.800 -0.191 0.000 1.113 183 F CA 1.376 59.175 58.000 -0.335 0.000 1.218 183 F CB -0.488 38.253 39.000 -0.431 0.000 0.984 183 F HN -0.026 nan 8.300 nan 0.000 0.472 184 A N -0.087 122.621 122.820 -0.186 0.000 1.877 184 A HA -0.205 4.120 4.320 0.008 0.000 0.216 184 A C 2.266 179.751 177.584 -0.166 0.000 1.186 184 A CA 2.756 54.698 52.037 -0.159 0.000 0.620 184 A CB -1.654 17.464 19.000 0.197 0.000 0.822 184 A HN 0.544 nan 8.150 nan 0.000 0.443 185 T N -2.247 112.224 114.554 -0.139 0.000 2.857 185 T HA -0.073 4.282 4.350 0.008 0.000 0.266 185 T C 1.618 176.241 174.700 -0.129 0.000 1.048 185 T CA 1.562 63.611 62.100 -0.086 0.000 1.139 185 T CB -0.277 68.547 68.868 -0.073 0.000 0.874 185 T HN 0.594 nan 8.240 nan 0.000 0.455 186 E N 0.472 120.562 120.200 -0.182 0.000 2.122 186 E HA 0.089 4.444 4.350 0.008 0.000 0.190 186 E C 2.018 178.489 176.600 -0.214 0.000 0.977 186 E CA 0.582 56.883 56.400 -0.165 0.000 0.820 186 E CB 0.153 29.770 29.700 -0.139 0.000 0.770 186 E HN 0.247 nan 8.360 nan 0.000 0.462 187 K N -0.235 119.945 120.400 -0.366 0.000 2.335 187 K HA 0.216 4.541 4.320 0.008 0.000 0.195 187 K C 1.237 177.581 176.600 -0.427 0.000 1.058 187 K CA 0.347 56.373 56.287 -0.435 0.000 0.988 187 K CB 0.658 32.747 32.500 -0.685 0.000 0.880 187 K HN 0.003 nan 8.250 nan 0.000 0.513 188 L N -0.976 119.982 121.223 -0.441 0.000 2.808 188 L HA 0.313 4.658 4.340 0.008 0.000 0.246 188 L C 0.638 177.406 176.870 -0.170 0.000 1.153 188 L CA 0.201 54.858 54.840 -0.306 0.000 0.956 188 L CB 0.393 42.256 42.059 -0.326 0.000 1.270 188 L HN 0.308 nan 8.230 nan 0.000 0.528 189 G N 0.975 109.691 108.800 -0.140 0.000 2.168 189 G HA2 -0.257 3.708 3.960 0.008 0.000 0.257 189 G HA3 -0.257 3.708 3.960 0.008 0.000 0.257 189 G C 0.258 175.137 174.900 -0.036 0.000 0.997 189 G CA 0.201 45.255 45.100 -0.077 0.000 0.708 189 G HN 0.140 nan 8.290 nan 0.000 0.520 190 V N 0.630 120.533 119.914 -0.018 0.000 2.614 190 V HA 0.338 4.463 4.120 0.008 0.000 0.291 190 V C 1.188 177.337 176.094 0.091 0.000 1.049 190 V CA -0.177 62.148 62.300 0.043 0.000 1.038 190 V CB 1.435 33.324 31.823 0.110 0.000 0.980 190 V HN 0.481 nan 8.190 nan 0.000 0.481 191 R N 3.630 124.181 120.500 0.085 0.000 2.221 191 R HA 0.288 4.633 4.340 0.008 0.000 0.327 191 R C -0.255 176.163 176.300 0.196 0.000 1.033 191 R CA -0.473 55.699 56.100 0.119 0.000 0.887 191 R CB 0.401 30.751 30.300 0.084 0.000 1.057 191 R HN 0.928 nan 8.270 nan 0.000 0.455 192 H N 3.779 122.931 119.070 0.138 0.000 2.517 192 H HA 0.362 4.924 4.556 0.009 0.000 0.317 192 H C -1.216 174.164 175.328 0.087 0.000 1.080 192 H CA -0.879 55.285 56.048 0.192 0.000 1.301 192 H CB 1.212 31.156 29.762 0.304 0.000 1.425 192 H HN 0.245 nan 8.280 nan 0.000 0.471 193 V N 5.955 125.982 119.914 0.189 0.000 2.531 193 V HA 0.086 4.211 4.120 0.008 0.000 0.301 193 V C -0.423 175.643 176.094 -0.047 0.000 1.034 193 V CA -0.897 61.390 62.300 -0.022 0.000 0.865 193 V CB 1.738 33.495 31.823 -0.110 0.000 0.995 193 V HN 0.825 nan 8.190 nan 0.000 0.424 194 E N 4.059 124.191 120.200 -0.114 0.000 1.963 194 E HA 0.438 4.793 4.350 0.008 0.000 0.274 194 E C -0.973 175.626 176.600 -0.002 0.000 1.061 194 E CA -0.088 56.278 56.400 -0.057 0.000 0.847 194 E CB 1.218 30.864 29.700 -0.091 0.000 1.083 194 E HN 0.589 nan 8.360 nan 0.000 0.402 195 D N 1.391 121.796 120.400 0.008 0.000 2.622 195 D HA 0.234 4.879 4.640 0.008 0.000 0.255 195 D C -1.035 175.279 176.300 0.024 0.000 1.246 195 D CA -0.617 53.401 54.000 0.029 0.000 0.795 195 D CB 2.137 42.973 40.800 0.060 0.000 1.369 195 D HN 0.140 nan 8.370 nan 0.000 0.425 196 R N 1.313 121.838 120.500 0.041 0.000 2.338 196 R HA 0.501 4.846 4.340 0.008 0.000 0.317 196 R C -0.666 175.664 176.300 0.049 0.000 0.968 196 R CA -0.655 55.468 56.100 0.037 0.000 0.849 196 R CB 1.308 31.631 30.300 0.038 0.000 1.128 196 R HN 0.177 nan 8.270 nan 0.000 0.448 197 V N 4.348 124.285 119.914 0.038 0.000 2.540 197 V HA -0.065 4.060 4.120 0.008 0.000 0.297 197 V C 1.025 177.156 176.094 0.061 0.000 1.024 197 V CA 0.725 63.056 62.300 0.052 0.000 1.105 197 V CB 1.093 32.932 31.823 0.027 0.000 0.938 197 V HN 0.873 nan 8.190 nan 0.000 0.482 198 E N 3.025 123.279 120.200 0.091 0.000 2.256 198 E HA 0.092 4.447 4.350 0.008 0.000 0.198 198 E C 0.447 177.138 176.600 0.151 0.000 0.908 198 E CA 0.603 57.064 56.400 0.101 0.000 0.915 198 E CB 0.383 30.144 29.700 0.101 0.000 0.890 198 E HN 0.785 nan 8.360 nan 0.000 0.484 199 H N -0.785 118.303 119.070 0.030 0.000 3.029 199 H HA 0.399 4.960 4.556 0.008 0.000 0.358 199 H C -1.639 173.695 175.328 0.011 0.000 1.129 199 H CA -0.670 55.387 56.048 0.016 0.000 1.230 199 H CB 1.392 31.163 29.762 0.014 0.000 1.827 199 H HN -0.132 nan 8.280 nan 0.000 0.530 200 V N 4.736 124.313 119.914 -0.563 0.000 2.347 200 V HA 0.116 4.241 4.120 0.008 0.000 0.280 200 V C 0.084 175.832 176.094 -0.577 0.000 1.021 200 V CA -0.637 61.415 62.300 -0.412 0.000 0.847 200 V CB 1.324 32.972 31.823 -0.291 0.000 0.990 200 V HN 0.615 nan 8.190 nan 0.000 0.444 201 Q N 5.354 124.991 119.800 -0.272 0.000 2.303 201 Q HA 0.449 4.795 4.340 0.008 0.000 0.257 201 Q C -0.347 175.579 176.000 -0.122 0.000 0.941 201 Q CA 0.035 55.777 55.803 -0.103 0.000 0.931 201 Q CB 0.817 29.609 28.738 0.091 0.000 1.215 201 Q HN 0.665 nan 8.270 nan 0.000 0.437 202 R N 2.355 122.796 120.500 -0.099 0.000 2.758 202 R HA 0.421 4.766 4.340 0.008 0.000 0.265 202 R C -0.553 175.724 176.300 -0.038 0.000 1.016 202 R CA -0.789 55.256 56.100 -0.092 0.000 1.040 202 R CB 0.945 31.188 30.300 -0.094 0.000 1.152 202 R HN 0.800 nan 8.270 nan 0.000 0.503 203 D N -0.261 120.120 120.400 -0.031 0.000 2.549 203 D HA 0.246 4.891 4.640 0.008 0.000 0.270 203 D C 0.612 176.907 176.300 -0.009 0.000 1.181 203 D CA -0.689 53.306 54.000 -0.009 0.000 1.070 203 D CB 0.442 41.242 40.800 0.000 0.000 1.154 203 D HN 0.404 nan 8.370 nan 0.000 0.602 204 A N -0.521 122.298 122.820 -0.002 0.000 2.121 204 A HA -0.148 4.177 4.320 0.008 0.000 0.218 204 A C 1.391 178.973 177.584 -0.004 0.000 1.154 204 A CA 1.028 53.063 52.037 -0.002 0.000 0.679 204 A CB -1.122 17.879 19.000 0.001 0.000 0.795 204 A HN 0.645 nan 8.150 nan 0.000 0.458 205 N N -1.168 117.530 118.700 -0.004 0.000 2.398 205 N HA 0.279 5.024 4.740 0.008 0.000 0.188 205 N C 1.015 176.520 175.510 -0.009 0.000 1.122 205 N CA 0.412 53.459 53.050 -0.005 0.000 0.866 205 N CB 0.217 38.703 38.487 -0.001 0.000 0.970 205 N HN 0.554 nan 8.380 nan 0.000 0.462 206 G N 0.671 109.462 108.800 -0.015 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 -0.196 174.686 174.900 -0.030 0.000 0.979 206 G CA -0.186 44.901 45.100 -0.022 0.000 0.641 206 G HN 0.383 nan 8.290 nan 0.000 0.530 207 N N -0.368 118.317 118.700 -0.025 0.000 2.493 207 N HA 0.576 5.321 4.740 0.008 0.000 0.275 207 N C 0.317 175.772 175.510 -0.092 0.000 1.186 207 N CA -0.641 52.392 53.050 -0.030 0.000 0.978 207 N CB 0.981 39.475 38.487 0.012 0.000 1.184 207 N HN 0.207 nan 8.380 nan 0.000 0.487 208 I N 1.322 121.781 120.570 -0.186 0.000 2.416 208 I HA -0.013 4.162 4.170 0.008 0.000 0.288 208 I C 1.435 177.383 176.117 -0.281 0.000 1.051 208 I CA 0.242 61.299 61.300 -0.405 0.000 1.375 208 I CB 0.942 38.377 38.000 -0.942 0.000 1.407 208 I HN 0.724 nan 8.210 nan 0.000 0.516 209 E N 3.739 123.844 120.200 -0.158 0.000 2.057 209 E HA -0.032 4.323 4.350 0.008 0.000 0.190 209 E C 0.252 176.926 176.600 0.122 0.000 0.969 209 E CA 0.656 57.065 56.400 0.015 0.000 0.812 209 E CB 0.484 30.194 29.700 0.016 0.000 0.777 209 E HN 0.800 nan 8.360 nan 0.000 0.455 210 S N -1.567 114.151 115.700 0.029 0.000 2.636 210 S HA 0.466 4.941 4.470 0.008 0.000 0.268 210 S C -1.145 173.511 174.600 0.092 0.000 1.159 210 S CA -1.080 57.232 58.200 0.187 0.000 0.815 210 S CB 2.022 65.326 63.200 0.173 0.000 1.130 210 S HN -0.075 nan 8.310 nan 0.000 0.471 211 V N 1.227 121.284 119.914 0.239 0.000 2.487 211 V HA 0.655 4.780 4.120 0.008 0.000 0.298 211 V C -0.150 176.095 176.094 0.252 0.000 1.028 211 V CA -0.619 61.795 62.300 0.191 0.000 0.860 211 V CB 1.652 33.613 31.823 0.229 0.000 0.991 211 V HN 0.928 nan 8.190 nan 0.000 0.427 212 R N 2.619 123.243 120.500 0.207 0.000 2.338 212 R HA 0.625 4.970 4.340 0.008 0.000 0.317 212 R C 0.172 176.587 176.300 0.192 0.000 0.968 212 R CA -0.255 55.965 56.100 0.200 0.000 0.849 212 R CB 1.573 31.975 30.300 0.169 0.000 1.128 212 R HN 0.920 nan 8.270 nan 0.000 0.448 213 T N 0.705 115.386 114.554 0.212 0.000 2.881 213 T HA 0.331 4.686 4.350 0.008 0.000 0.278 213 T C 1.360 176.131 174.700 0.118 0.000 0.982 213 T CA -0.242 61.963 62.100 0.174 0.000 0.989 213 T CB 1.603 70.610 68.868 0.230 0.000 1.058 213 T HN 0.611 nan 8.240 nan 0.000 0.529 214 A N 0.637 123.512 122.820 0.092 0.000 2.070 214 A HA 0.009 4.334 4.320 0.008 0.000 0.220 214 A C 2.297 179.916 177.584 0.060 0.000 1.159 214 A CA 1.764 53.841 52.037 0.067 0.000 0.656 214 A CB -1.487 17.546 19.000 0.054 0.000 0.800 214 A HN 1.080 nan 8.150 nan 0.000 0.453 215 T N -4.996 109.603 114.554 0.074 0.000 3.107 215 T HA 0.412 4.767 4.350 0.008 0.000 0.249 215 T C 1.348 176.077 174.700 0.048 0.000 1.096 215 T CA 1.030 63.166 62.100 0.059 0.000 1.012 215 T CB 0.188 69.098 68.868 0.069 0.000 0.977 215 T HN 1.605 nan 8.240 nan 0.000 0.527 216 G N 1.444 110.277 108.800 0.054 0.000 2.175 216 G HA2 -0.229 3.736 3.960 0.008 0.000 0.244 216 G HA3 -0.229 3.736 3.960 0.008 0.000 0.244 216 G C 0.155 175.061 174.900 0.011 0.000 0.982 216 G CA -0.348 44.770 45.100 0.029 0.000 0.641 216 G HN 0.640 nan 8.290 nan 0.000 0.527 217 R N -0.188 120.331 120.500 0.032 0.000 2.490 217 R HA 0.512 4.857 4.340 0.008 0.000 0.280 217 R C -0.170 176.063 176.300 -0.111 0.000 1.077 217 R CA -0.181 55.869 56.100 -0.082 0.000 1.065 217 R CB 1.398 31.674 30.300 -0.040 0.000 1.003 217 R HN 0.079 nan 8.270 nan 0.000 0.470 218 V N 4.758 124.491 119.914 -0.302 0.000 2.409 218 V HA 0.355 4.480 4.120 0.008 0.000 0.291 218 V C -0.872 174.990 176.094 -0.386 0.000 1.020 218 V CA -0.563 61.636 62.300 -0.168 0.000 0.848 218 V CB 1.213 32.993 31.823 -0.071 0.000 0.990 218 V HN 0.527 nan 8.190 nan 0.000 0.430 219 F N 3.394 123.396 119.950 0.086 0.000 2.402 219 F HA 0.531 5.063 4.527 0.008 0.000 0.355 219 F C 0.208 176.094 175.800 0.143 0.000 1.123 219 F CA -0.967 57.083 58.000 0.084 0.000 1.021 219 F CB 1.366 40.409 39.000 0.071 0.000 1.160 219 F HN 0.640 nan 8.300 nan 0.000 0.451 220 D N 1.730 122.253 120.400 0.205 0.000 2.228 220 D HA 0.844 5.489 4.640 0.008 0.000 0.247 220 D C -0.796 175.543 176.300 0.064 0.000 0.995 220 D CA -0.717 53.417 54.000 0.224 0.000 0.903 220 D CB 2.018 42.905 40.800 0.145 0.000 1.205 220 D HN 0.651 nan 8.370 nan 0.000 0.459 221 A N 0.618 123.414 122.820 -0.039 0.000 2.581 221 A HA 0.448 4.773 4.320 0.008 0.000 0.290 221 A C -0.479 177.001 177.584 -0.173 0.000 1.119 221 A CA -0.731 51.119 52.037 -0.311 0.000 0.670 221 A CB 1.192 19.714 19.000 -0.797 0.000 1.280 221 A HN 0.507 nan 8.150 nan 0.000 0.425 222 D N -0.811 119.496 120.400 -0.154 0.000 2.240 222 D HA 0.170 4.815 4.640 0.008 0.000 0.206 222 D C -0.185 176.105 176.300 -0.017 0.000 0.963 222 D CA 1.157 55.142 54.000 -0.026 0.000 0.863 222 D CB 0.463 41.247 40.800 -0.027 0.000 0.973 222 D HN 0.238 nan 8.370 nan 0.000 0.501 223 L N 0.236 121.352 121.223 -0.178 0.000 2.436 223 L HA 0.395 4.740 4.340 0.008 0.000 0.268 223 L C -1.754 174.943 176.870 -0.290 0.000 0.974 223 L CA -0.643 54.119 54.840 -0.130 0.000 0.826 223 L CB 1.850 43.787 42.059 -0.203 0.000 1.291 223 L HN -0.333 nan 8.230 nan 0.000 0.406 224 F N 4.207 124.083 119.950 -0.123 0.000 2.469 224 F HA 0.654 5.187 4.527 0.009 0.000 0.332 224 F C -0.125 175.578 175.800 -0.161 0.000 1.103 224 F CA -0.856 57.077 58.000 -0.111 0.000 0.979 224 F CB 2.043 40.999 39.000 -0.074 0.000 1.137 224 F HN 0.064 nan 8.300 nan 0.000 0.463 225 V N 2.482 122.385 119.914 -0.020 0.000 2.334 225 V HA 0.212 4.337 4.120 0.008 0.000 0.281 225 V C -0.614 175.448 176.094 -0.052 0.000 1.016 225 V CA -0.778 61.470 62.300 -0.086 0.000 0.832 225 V CB 1.365 33.111 31.823 -0.127 0.000 0.999 225 V HN 0.593 nan 8.190 nan 0.000 0.439 226 D N 3.847 124.223 120.400 -0.040 0.000 2.365 226 D HA 0.206 4.851 4.640 0.008 0.000 0.237 226 D C 0.024 176.292 176.300 -0.053 0.000 1.190 226 D CA -0.094 53.886 54.000 -0.032 0.000 0.867 226 D CB 1.089 41.883 40.800 -0.010 0.000 1.050 226 D HN 0.583 nan 8.370 nan 0.000 0.491 227 C N 2.944 122.197 119.300 -0.079 0.000 2.741 227 C HA 0.125 4.590 4.460 0.008 0.000 0.267 227 C C 1.737 176.668 174.990 -0.099 0.000 1.549 227 C CA -0.335 58.624 59.018 -0.098 0.000 1.772 227 C CB -1.322 26.333 27.740 -0.142 0.000 2.962 227 C HN 0.663 nan 8.230 nan 0.000 0.514 228 S N 0.046 115.701 115.700 -0.074 0.000 2.650 228 S HA 0.417 4.892 4.470 0.008 0.000 0.219 228 S C 1.147 175.699 174.600 -0.079 0.000 0.960 228 S CA 0.693 58.853 58.200 -0.067 0.000 0.925 228 S CB -0.157 63.018 63.200 -0.042 0.000 0.775 228 S HN 1.145 nan 8.310 nan 0.000 0.525 229 G N 1.416 110.147 108.800 -0.114 0.000 2.593 229 G HA2 -0.271 3.694 3.960 0.008 0.000 0.237 229 G HA3 -0.271 3.694 3.960 0.008 0.000 0.237 229 G C 0.115 174.934 174.900 -0.135 0.000 1.312 229 G CA -0.087 44.883 45.100 -0.216 0.000 0.896 229 G HN 0.274 nan 8.290 nan 0.000 0.574 230 F N 1.427 121.337 119.950 -0.066 0.000 2.236 230 F HA -0.088 4.445 4.527 0.009 0.000 0.302 230 F C 2.982 178.705 175.800 -0.129 0.000 1.073 230 F CA 2.102 60.028 58.000 -0.124 0.000 1.336 230 F CB -0.369 38.544 39.000 -0.145 0.000 1.040 230 F HN 0.345 nan 8.300 nan 0.000 0.507 231 R N 0.071 120.618 120.500 0.078 0.000 2.148 231 R HA -0.010 4.335 4.340 0.008 0.000 0.227 231 R C 1.658 177.959 176.300 0.002 0.000 1.103 231 R CA 0.871 56.984 56.100 0.022 0.000 0.983 231 R CB -1.175 29.132 30.300 0.012 0.000 0.874 231 R HN 0.359 nan 8.270 nan 0.000 0.451 232 G N 2.236 111.040 108.800 0.005 0.000 2.371 232 G HA2 -0.235 3.730 3.960 0.008 0.000 0.299 232 G HA3 -0.235 3.730 3.960 0.008 0.000 0.299 232 G C 0.635 175.534 174.900 -0.001 0.000 1.014 232 G CA 0.037 45.142 45.100 0.009 0.000 1.097 232 G HN 0.132 nan 8.290 nan 0.000 0.512 233 L N -1.074 120.143 121.223 -0.011 0.000 2.051 233 L HA -0.123 4.222 4.340 0.008 0.000 0.214 233 L C 2.938 179.789 176.870 -0.031 0.000 1.076 233 L CA 2.315 57.143 54.840 -0.019 0.000 0.758 233 L CB -0.654 41.393 42.059 -0.020 0.000 0.890 233 L HN 0.592 nan 8.230 nan 0.000 0.433 234 L N -2.619 118.587 121.223 -0.028 0.000 2.187 234 L HA -0.028 4.317 4.340 0.008 0.000 0.197 234 L C 2.308 179.162 176.870 -0.026 0.000 1.090 234 L CA 0.222 55.035 54.840 -0.045 0.000 0.781 234 L CB -0.589 41.447 42.059 -0.038 0.000 0.956 234 L HN 0.079 nan 8.230 nan 0.000 0.463 235 I N 0.964 121.536 120.570 0.004 0.000 2.208 235 I HA -0.300 3.875 4.170 0.008 0.000 0.245 235 I C 1.779 177.919 176.117 0.038 0.000 1.097 235 I CA 2.005 63.325 61.300 0.032 0.000 1.363 235 I CB -0.343 37.694 38.000 0.062 0.000 1.051 235 I HN 0.301 nan 8.210 nan 0.000 0.413 236 N N -0.774 117.947 118.700 0.035 0.000 2.420 236 N HA -0.036 4.709 4.740 0.008 0.000 0.185 236 N C 1.763 177.281 175.510 0.014 0.000 1.033 236 N CA 0.495 53.569 53.050 0.040 0.000 0.879 236 N CB -0.244 38.272 38.487 0.049 0.000 1.071 236 N HN 0.172 nan 8.380 nan 0.000 0.437 237 K N 1.056 121.454 120.400 -0.003 0.000 1.984 237 K HA 0.010 4.335 4.320 0.008 0.000 0.209 237 K C 1.966 178.546 176.600 -0.032 0.000 1.046 237 K CA 1.369 57.646 56.287 -0.016 0.000 0.934 237 K CB -0.135 32.352 32.500 -0.022 0.000 0.717 237 K HN 0.150 nan 8.250 nan 0.000 0.438 238 A N 0.920 123.709 122.820 -0.052 0.000 1.840 238 A HA -0.081 4.244 4.320 0.008 0.000 0.214 238 A C 2.041 179.587 177.584 -0.063 0.000 1.198 238 A CA 1.265 53.253 52.037 -0.082 0.000 0.608 238 A CB -0.326 18.597 19.000 -0.128 0.000 0.839 238 A HN 0.289 nan 8.150 nan 0.000 0.443 239 M N -0.675 118.898 119.600 -0.046 0.000 2.557 239 M HA -0.001 4.484 4.480 0.008 0.000 0.259 239 M C 0.180 176.477 176.300 -0.005 0.000 1.086 239 M CA 0.936 56.221 55.300 -0.025 0.000 1.096 239 M CB -1.330 31.267 32.600 -0.006 0.000 1.424 239 M HN 0.599 nan 8.290 nan 0.000 0.488 240 E N 0.067 120.267 120.200 -0.000 0.000 2.971 240 E HA -0.218 4.137 4.350 0.008 0.000 0.278 240 E C 0.048 176.664 176.600 0.027 0.000 1.009 240 E CA 0.542 56.949 56.400 0.012 0.000 0.862 240 E CB -1.637 28.066 29.700 0.004 0.000 1.436 240 E HN 0.421 nan 8.360 nan 0.000 0.434 241 E N 1.485 121.708 120.200 0.038 0.000 2.376 241 E HA 0.125 4.480 4.350 0.008 0.000 0.266 241 E C -2.433 174.210 176.600 0.071 0.000 1.009 241 E CA -1.941 54.489 56.400 0.049 0.000 0.902 241 E CB 0.644 30.380 29.700 0.060 0.000 0.972 241 E HN -0.098 nan 8.360 nan 0.000 0.439 242 P HA 0.093 nan 4.420 nan 0.000 0.271 242 P C -1.157 176.213 177.300 0.117 0.000 1.218 242 P CA -0.027 63.121 63.100 0.082 0.000 0.780 242 P CB 0.311 32.038 31.700 0.044 0.000 0.901 243 F N 2.885 122.840 119.950 0.009 0.000 2.436 243 F HA 0.415 4.947 4.527 0.008 0.000 0.340 243 F C -0.692 175.116 175.800 0.013 0.000 1.113 243 F CA -0.792 57.213 58.000 0.007 0.000 1.022 243 F CB 0.729 39.737 39.000 0.014 0.000 1.128 243 F HN 0.044 nan 8.300 nan 0.000 0.466 244 L N 5.560 126.406 121.223 -0.630 0.000 2.268 244 L HA 0.228 4.573 4.340 0.008 0.000 0.289 244 L C -0.518 176.145 176.870 -0.345 0.000 1.064 244 L CA -0.695 53.935 54.840 -0.350 0.000 0.824 244 L CB 0.576 42.480 42.059 -0.259 0.000 1.202 244 L HN 0.582 nan 8.230 nan 0.000 0.433 245 D N 3.888 124.295 120.400 0.012 0.000 2.390 245 D HA 0.178 4.823 4.640 0.008 0.000 0.249 245 D C 0.115 176.488 176.300 0.121 0.000 1.144 245 D CA 0.246 54.347 54.000 0.169 0.000 0.880 245 D CB 1.014 41.930 40.800 0.193 0.000 1.182 245 D HN 0.409 nan 8.370 nan 0.000 0.451 246 M N 2.426 122.139 119.600 0.188 0.000 2.963 246 M HA 0.060 4.545 4.480 0.008 0.000 0.350 246 M C 0.972 177.391 176.300 0.198 0.000 1.253 246 M CA -0.276 55.154 55.300 0.217 0.000 0.856 246 M CB 0.647 33.432 32.600 0.310 0.000 1.356 246 M HN 0.457 nan 8.290 nan 0.000 0.510 247 S N -0.992 114.792 115.700 0.140 0.000 2.603 247 S HA -0.092 4.383 4.470 0.008 0.000 0.229 247 S C 1.106 175.730 174.600 0.041 0.000 0.972 247 S CA 0.756 59.021 58.200 0.107 0.000 0.935 247 S CB -0.410 62.845 63.200 0.091 0.000 0.769 247 S HN 0.631 nan 8.310 nan 0.000 0.536 248 D N -0.003 120.379 120.400 -0.031 0.000 2.340 248 D HA -0.065 4.580 4.640 0.008 0.000 0.220 248 D C 1.046 177.149 176.300 -0.329 0.000 1.039 248 D CA 0.422 54.314 54.000 -0.180 0.000 0.866 248 D CB -0.320 40.326 40.800 -0.257 0.000 0.913 248 D HN 0.528 nan 8.370 nan 0.000 0.523 249 H N -0.255 118.852 119.070 0.062 0.000 2.926 249 H HA 0.361 4.923 4.556 0.009 0.000 0.249 249 H C 0.221 175.589 175.328 0.068 0.000 0.963 249 H CA 0.028 56.109 56.048 0.054 0.000 1.158 249 H CB 1.670 31.463 29.762 0.052 0.000 1.445 249 H HN 0.026 nan 8.280 nan 0.000 0.452 250 L N 1.984 123.323 121.223 0.194 0.000 2.372 250 L HA 0.270 4.615 4.340 0.008 0.000 0.273 250 L C 0.825 177.763 176.870 0.113 0.000 0.989 250 L CA -0.182 54.749 54.840 0.152 0.000 0.841 250 L CB 2.727 44.911 42.059 0.209 0.000 1.225 250 L HN -0.050 nan 8.230 nan 0.000 0.414 251 L N 1.492 122.745 121.223 0.049 0.000 2.270 251 L HA 0.083 4.428 4.340 0.008 0.000 0.210 251 L C 0.647 177.599 176.870 0.137 0.000 1.104 251 L CA 0.498 55.402 54.840 0.108 0.000 0.804 251 L CB -0.155 41.978 42.059 0.123 0.000 0.937 251 L HN 0.659 nan 8.230 nan 0.000 0.450 252 N N 1.205 119.974 118.700 0.114 0.000 2.475 252 N HA 0.024 4.769 4.740 0.008 0.000 0.267 252 N C -0.238 175.380 175.510 0.181 0.000 1.169 252 N CA 0.021 53.143 53.050 0.119 0.000 0.947 252 N CB 0.660 39.262 38.487 0.190 0.000 1.061 252 N HN 0.178 nan 8.380 nan 0.000 0.466 253 D N -0.950 119.490 120.400 0.067 0.000 2.530 253 D HA 0.109 4.754 4.640 0.008 0.000 0.253 253 D C -0.614 175.618 176.300 -0.114 0.000 1.338 253 D CA -0.081 53.987 54.000 0.114 0.000 0.806 253 D CB 0.252 41.056 40.800 0.007 0.000 1.160 253 D HN 0.203 nan 8.370 nan 0.000 0.514 254 S N -0.630 114.814 115.700 -0.426 0.000 2.685 254 S HA 0.964 5.439 4.470 0.008 0.000 0.282 254 S C -1.217 172.868 174.600 -0.858 0.000 1.159 254 S CA -0.498 57.154 58.200 -0.912 0.000 0.833 254 S CB 2.050 64.486 63.200 -1.272 0.000 1.151 254 S HN 0.536 nan 8.310 nan 0.000 0.485 255 A N 0.474 122.884 122.820 -0.684 0.000 2.605 255 A HA 0.715 5.040 4.320 0.008 0.000 0.294 255 A C -1.964 175.501 177.584 -0.198 0.000 1.062 255 A CA -0.566 51.295 52.037 -0.294 0.000 0.682 255 A CB 1.076 19.990 19.000 -0.143 0.000 1.278 255 A HN 0.671 nan 8.150 nan 0.000 0.410 256 V N 0.869 120.604 119.914 -0.298 0.000 2.483 256 V HA 0.810 4.935 4.120 0.008 0.000 0.297 256 V C 0.289 175.928 176.094 -0.759 0.000 1.027 256 V CA 0.221 62.283 62.300 -0.397 0.000 0.855 256 V CB 1.180 32.770 31.823 -0.388 0.000 0.995 256 V HN 1.771 nan 8.190 nan 0.000 0.424 257 A N 3.478 126.048 122.820 -0.416 0.000 2.527 257 A HA 1.004 5.329 4.320 0.008 0.000 0.293 257 A C -0.473 177.118 177.584 0.011 0.000 1.117 257 A CA -0.496 51.341 52.037 -0.332 0.000 0.723 257 A CB 2.531 21.464 19.000 -0.112 0.000 1.313 257 A HN 0.745 nan 8.150 nan 0.000 0.411 258 T N -0.985 113.649 114.554 0.132 0.000 2.665 258 T HA 0.536 4.891 4.350 0.008 0.000 0.303 258 T C -1.841 172.873 174.700 0.024 0.000 1.334 258 T CA -0.339 61.826 62.100 0.109 0.000 1.011 258 T CB 1.453 70.405 68.868 0.141 0.000 1.573 258 T HN 0.884 nan 8.240 nan 0.000 0.492 259 Q N 1.393 121.150 119.800 -0.071 0.000 2.356 259 Q HA 0.708 5.053 4.340 0.008 0.000 0.270 259 Q C -1.934 173.865 176.000 -0.336 0.000 1.058 259 Q CA -0.675 55.025 55.803 -0.172 0.000 0.802 259 Q CB 2.006 30.694 28.738 -0.084 0.000 1.303 259 Q HN 0.507 nan 8.270 nan 0.000 0.444 260 V N 5.065 124.592 119.914 -0.644 0.000 2.487 260 V HA 0.438 4.563 4.120 0.008 0.000 0.298 260 V C -2.327 173.442 176.094 -0.542 0.000 1.028 260 V CA -1.953 59.902 62.300 -0.741 0.000 0.860 260 V CB 1.543 32.563 31.823 -1.338 0.000 0.991 260 V HN 0.799 nan 8.190 nan 0.000 0.427 261 P HA 0.151 nan 4.420 nan 0.000 0.269 261 P C -0.765 176.524 177.300 -0.017 0.000 1.209 261 P CA 0.278 63.310 63.100 -0.112 0.000 0.776 261 P CB 0.274 31.927 31.700 -0.079 0.000 0.876 262 H N 1.831 120.875 119.070 -0.043 0.000 2.865 262 H HA 0.189 4.750 4.556 0.008 0.000 0.362 262 H C -1.253 174.082 175.328 0.011 0.000 1.114 262 H CA -0.537 55.532 56.048 0.035 0.000 1.208 262 H CB 1.671 31.518 29.762 0.142 0.000 1.727 262 H HN 0.259 nan 8.280 nan 0.000 0.534 263 D N 3.647 123.782 120.400 -0.442 0.000 2.468 263 D HA 0.061 4.706 4.640 0.008 0.000 0.218 263 D C 0.289 176.423 176.300 -0.276 0.000 1.155 263 D CA -0.121 53.720 54.000 -0.265 0.000 0.924 263 D CB 0.407 41.071 40.800 -0.226 0.000 1.029 263 D HN 0.486 nan 8.370 nan 0.000 0.515 264 D N 2.043 122.418 120.400 -0.041 0.000 2.218 264 D HA -0.139 4.506 4.640 0.008 0.000 0.204 264 D C 1.098 177.103 176.300 -0.492 0.000 0.976 264 D CA 0.702 54.634 54.000 -0.114 0.000 0.853 264 D CB 0.350 41.107 40.800 -0.071 0.000 0.939 264 D HN 0.495 nan 8.370 nan 0.000 0.481 265 D N 0.372 120.604 120.400 -0.280 0.000 2.117 265 D HA -0.064 4.581 4.640 0.008 0.000 0.198 265 D C 1.984 178.216 176.300 -0.114 0.000 0.982 265 D CA 1.084 54.987 54.000 -0.162 0.000 0.828 265 D CB -0.013 40.791 40.800 0.006 0.000 0.967 265 D HN 0.164 nan 8.370 nan 0.000 0.464 266 A N 0.599 123.352 122.820 -0.112 0.000 1.935 266 A HA -0.057 4.268 4.320 0.008 0.000 0.214 266 A C 1.610 179.159 177.584 -0.060 0.000 1.178 266 A CA 1.025 53.018 52.037 -0.073 0.000 0.640 266 A CB -0.300 18.652 19.000 -0.079 0.000 0.825 266 A HN 0.223 nan 8.150 nan 0.000 0.447 267 N N -1.459 117.193 118.700 -0.080 0.000 2.184 267 N HA 0.408 5.153 4.740 0.008 0.000 0.206 267 N C 0.665 176.210 175.510 0.058 0.000 1.151 267 N CA 0.385 53.441 53.050 0.011 0.000 0.878 267 N CB 0.943 39.454 38.487 0.041 0.000 1.014 267 N HN 0.626 nan 8.380 nan 0.000 0.512 268 G N 0.458 109.236 108.800 -0.036 0.000 2.796 268 G HA2 -0.211 3.754 3.960 0.008 0.000 0.226 268 G HA3 -0.211 3.754 3.960 0.008 0.000 0.226 268 G C -0.822 174.101 174.900 0.039 0.000 1.381 268 G CA -0.560 44.523 45.100 -0.028 0.000 0.867 268 G HN 0.071 nan 8.290 nan 0.000 0.552 269 V N 0.462 120.398 119.914 0.037 0.000 2.588 269 V HA 0.484 4.609 4.120 0.008 0.000 0.304 269 V C 0.200 176.238 176.094 -0.094 0.000 1.042 269 V CA -0.709 61.569 62.300 -0.037 0.000 0.877 269 V CB 1.766 33.616 31.823 0.045 0.000 0.996 269 V HN 0.798 nan 8.190 nan 0.000 0.425 270 E N 6.318 126.361 120.200 -0.263 0.000 2.290 270 E HA 0.191 4.546 4.350 0.008 0.000 0.277 270 E C -2.044 174.287 176.600 -0.449 0.000 1.035 270 E CA -1.531 54.550 56.400 -0.531 0.000 0.873 270 E CB 1.071 30.127 29.700 -1.072 0.000 1.029 270 E HN 0.471 nan 8.360 nan 0.000 0.419 271 P HA 0.048 nan 4.420 nan 0.000 0.235 271 P C -1.242 176.124 177.300 0.110 0.000 1.725 271 P CA 0.103 63.186 63.100 -0.029 0.000 0.894 271 P CB -0.622 31.095 31.700 0.027 0.000 1.704 272 F N -4.041 116.022 119.950 0.188 0.000 2.719 272 F HA 0.532 5.064 4.527 0.008 0.000 0.309 272 F C -0.908 175.072 175.800 0.300 0.000 1.138 272 F CA -1.264 56.860 58.000 0.206 0.000 0.943 272 F CB 0.223 39.295 39.000 0.121 0.000 1.304 272 F HN -0.447 nan 8.300 nan 0.000 0.445 273 T N 1.447 116.324 114.554 0.539 0.000 2.882 273 T HA 0.569 4.924 4.350 0.008 0.000 0.287 273 T C -0.425 174.474 174.700 0.333 0.000 0.992 273 T CA -0.450 61.840 62.100 0.318 0.000 1.076 273 T CB 1.222 70.260 68.868 0.283 0.000 0.961 273 T HN 0.659 nan 8.240 nan 0.000 0.490 274 S N 1.761 117.635 115.700 0.289 0.000 2.475 274 S HA 0.671 5.146 4.470 0.008 0.000 0.298 274 S C -0.254 174.506 174.600 0.266 0.000 1.119 274 S CA -0.826 57.522 58.200 0.246 0.000 1.085 274 S CB 1.391 64.765 63.200 0.291 0.000 1.028 274 S HN 0.850 nan 8.310 nan 0.000 0.489 275 A N 3.547 126.434 122.820 0.111 0.000 2.431 275 A HA 0.615 4.940 4.320 0.008 0.000 0.318 275 A C -0.474 177.456 177.584 0.577 0.000 1.330 275 A CA -0.563 51.684 52.037 0.350 0.000 0.804 275 A CB -0.170 18.581 19.000 -0.414 0.000 1.135 275 A HN 0.812 nan 8.150 nan 0.000 0.483 276 I N 2.782 123.710 120.570 0.597 0.000 2.297 276 I HA 0.377 4.552 4.170 0.008 0.000 0.291 276 I C 0.988 177.280 176.117 0.292 0.000 1.033 276 I CA -0.191 61.330 61.300 0.368 0.000 1.253 276 I CB 1.534 39.645 38.000 0.185 0.000 1.396 276 I HN 0.670 nan 8.210 nan 0.000 0.476 277 A N 8.423 131.236 122.820 -0.012 0.000 2.511 277 A HA 0.474 4.799 4.320 0.008 0.000 0.242 277 A C 0.204 177.784 177.584 -0.008 0.000 1.069 277 A CA 0.198 52.079 52.037 -0.261 0.000 0.763 277 A CB 0.256 18.773 19.000 -0.805 0.000 1.001 277 A HN 0.675 nan 8.150 nan 0.000 0.498 278 M N 1.033 120.722 119.600 0.148 0.000 2.826 278 M HA 0.361 4.846 4.480 0.008 0.000 0.288 278 M C 0.788 177.245 176.300 0.263 0.000 1.141 278 M CA -0.559 54.758 55.300 0.028 0.000 0.816 278 M CB 0.935 33.380 32.600 -0.258 0.000 1.704 278 M HN 0.746 nan 8.290 nan 0.000 0.497 279 K N -0.070 120.421 120.400 0.152 0.000 2.228 279 K HA 0.079 4.404 4.320 0.008 0.000 0.202 279 K C 0.637 177.300 176.600 0.105 0.000 1.051 279 K CA 0.865 57.306 56.287 0.258 0.000 0.960 279 K CB 0.218 32.802 32.500 0.141 0.000 0.743 279 K HN 0.418 nan 8.250 nan 0.000 0.458 280 S N -0.145 115.484 115.700 -0.118 0.000 2.902 280 S HA 0.364 4.839 4.470 0.008 0.000 0.250 280 S C -0.120 173.796 174.600 -1.140 0.000 1.046 280 S CA -0.195 57.598 58.200 -0.678 0.000 1.069 280 S CB 1.468 64.571 63.200 -0.162 0.000 0.967 280 S HN 0.504 nan 8.310 nan 0.000 0.530 281 G N 1.480 109.748 108.800 -0.887 0.000 2.491 281 G HA2 0.309 4.274 3.960 0.008 0.000 0.183 281 G HA3 0.309 4.274 3.960 0.008 0.000 0.183 281 G C -2.145 172.984 174.900 0.381 0.000 1.221 281 G CA -0.222 44.694 45.100 -0.307 0.000 0.996 281 G HN 0.421 nan 8.290 nan 0.000 0.474 282 W N -0.604 120.940 121.300 0.406 0.000 3.066 282 W HA 0.755 5.420 4.660 0.008 0.000 0.330 282 W C -1.570 175.221 176.519 0.455 0.000 1.253 282 W CA -0.798 56.770 57.345 0.372 0.000 1.187 282 W CB 0.732 30.506 29.460 0.522 0.000 1.434 282 W HN 0.742 nan 8.180 nan 0.000 0.572 283 T N 2.399 117.158 114.554 0.341 0.000 2.824 283 T HA 0.418 4.773 4.350 0.008 0.000 0.282 283 T C -0.874 174.067 174.700 0.401 0.000 0.993 283 T CA -0.183 61.998 62.100 0.134 0.000 0.967 283 T CB 1.240 70.203 68.868 0.158 0.000 0.960 283 T HN 0.415 nan 8.240 nan 0.000 0.441 284 W N 2.669 124.083 121.300 0.190 0.000 2.375 284 W HA 0.779 5.445 4.660 0.009 0.000 0.336 284 W C -0.539 176.186 176.519 0.344 0.000 1.160 284 W CA -1.282 56.294 57.345 0.385 0.000 1.266 284 W CB 0.580 30.236 29.460 0.327 0.000 1.195 284 W HN 0.515 nan 8.180 nan 0.000 0.599 285 K N 4.039 124.797 120.400 0.597 0.000 2.578 285 K HA 0.485 4.810 4.320 0.008 0.000 0.250 285 K C -1.780 174.965 176.600 0.242 0.000 0.955 285 K CA -0.613 55.892 56.287 0.364 0.000 0.825 285 K CB 0.949 33.549 32.500 0.166 0.000 1.151 285 K HN 0.781 nan 8.250 nan 0.000 0.432 286 I N 6.485 127.195 120.570 0.233 0.000 2.437 286 I HA 0.283 4.458 4.170 0.008 0.000 0.279 286 I C -2.357 173.687 176.117 -0.122 0.000 1.028 286 I CA -2.482 58.734 61.300 -0.140 0.000 1.142 286 I CB 1.833 39.785 38.000 -0.079 0.000 1.266 286 I HN 0.370 nan 8.210 nan 0.000 0.461 287 P HA 0.288 nan 4.420 nan 0.000 0.271 287 P C -0.517 176.812 177.300 0.048 0.000 1.220 287 P CA 0.168 63.225 63.100 -0.070 0.000 0.768 287 P CB 0.798 32.413 31.700 -0.142 0.000 0.848 288 M N 1.541 121.183 119.600 0.069 0.000 2.828 288 M HA 0.406 4.891 4.480 0.008 0.000 0.284 288 M C -0.422 175.909 176.300 0.051 0.000 1.166 288 M CA -1.062 54.294 55.300 0.094 0.000 0.770 288 M CB 0.801 33.466 32.600 0.108 0.000 1.741 288 M HN -0.012 nan 8.290 nan 0.000 0.443 289 L N 1.552 122.785 121.223 0.018 0.000 2.283 289 L HA 0.378 4.723 4.340 0.008 0.000 0.287 289 L C 0.897 177.788 176.870 0.034 0.000 1.073 289 L CA -0.060 54.778 54.840 -0.003 0.000 0.822 289 L CB -0.006 41.988 42.059 -0.108 0.000 1.186 289 L HN 1.081 nan 8.230 nan 0.000 0.436 290 G N 2.553 111.401 108.800 0.080 0.000 2.162 290 G HA2 -0.246 3.719 3.960 0.008 0.000 0.260 290 G HA3 -0.246 3.719 3.960 0.008 0.000 0.260 290 G C 0.187 175.149 174.900 0.105 0.000 0.976 290 G CA 0.480 45.639 45.100 0.099 0.000 0.655 290 G HN 0.783 nan 8.290 nan 0.000 0.533 291 R N -1.311 119.249 120.500 0.099 0.000 2.774 291 R HA 0.649 4.994 4.340 0.008 0.000 0.279 291 R C -1.430 174.913 176.300 0.070 0.000 1.022 291 R CA -0.437 55.689 56.100 0.044 0.000 0.855 291 R CB 0.236 30.512 30.300 -0.041 0.000 1.279 291 R HN 1.025 nan 8.270 nan 0.000 0.485 292 F N -1.274 118.624 119.950 -0.087 0.000 2.578 292 F HA 0.803 5.335 4.527 0.008 0.000 0.311 292 F C -0.335 175.412 175.800 -0.088 0.000 1.094 292 F CA -0.818 57.106 58.000 -0.125 0.000 0.923 292 F CB 2.008 40.872 39.000 -0.227 0.000 1.230 292 F HN 0.725 nan 8.300 nan 0.000 0.450 293 G N 0.630 109.560 108.800 0.216 0.000 2.400 293 G HA2 0.522 4.488 3.960 0.008 0.000 0.301 293 G HA3 0.522 4.488 3.960 0.008 0.000 0.301 293 G C -1.266 173.872 174.900 0.397 0.000 1.154 293 G CA -0.594 44.657 45.100 0.250 0.000 0.852 293 G HN 0.975 nan 8.290 nan 0.000 0.511 294 T N -0.656 114.011 114.554 0.189 0.000 2.982 294 T HA 0.697 5.052 4.350 0.008 0.000 0.321 294 T C -0.395 173.954 174.700 -0.585 0.000 1.229 294 T CA 0.054 62.074 62.100 -0.133 0.000 1.044 294 T CB 1.494 70.367 68.868 0.008 0.000 1.184 294 T HN 1.306 nan 8.240 nan 0.000 0.477 295 G N 2.551 110.340 108.800 -1.685 0.000 2.731 295 G HA2 0.504 4.469 3.960 0.008 0.000 0.298 295 G HA3 0.504 4.469 3.960 0.008 0.000 0.298 295 G C -2.084 172.152 174.900 -1.107 0.000 1.424 295 G CA -0.557 43.469 45.100 -1.790 0.000 1.029 295 G HN 0.639 nan 8.290 nan 0.000 0.518 296 Y N 3.533 123.262 120.300 -0.951 0.000 2.477 296 Y HA 0.533 5.088 4.550 0.008 0.000 0.349 296 Y C -0.304 175.405 175.900 -0.319 0.000 0.977 296 Y CA -1.390 56.414 58.100 -0.493 0.000 1.214 296 Y CB 1.003 39.257 38.460 -0.343 0.000 1.124 296 Y HN 0.279 nan 8.280 nan 0.000 0.521 297 V N 9.644 129.432 119.914 -0.209 0.000 2.432 297 V HA 0.230 4.355 4.120 0.008 0.000 0.271 297 V C -0.529 175.438 176.094 -0.212 0.000 1.046 297 V CA -0.191 62.015 62.300 -0.157 0.000 0.945 297 V CB -0.341 31.376 31.823 -0.177 0.000 0.992 297 V HN 0.699 nan 8.190 nan 0.000 0.471 298 Y N 2.164 122.184 120.300 -0.465 0.000 2.677 298 Y HA 0.763 5.318 4.550 0.008 0.000 0.334 298 Y C -0.235 175.506 175.900 -0.264 0.000 1.154 298 Y CA -1.630 56.140 58.100 -0.550 0.000 1.070 298 Y CB 1.663 39.540 38.460 -0.972 0.000 1.294 298 Y HN 0.352 nan 8.280 nan 0.000 0.475 299 S N 0.692 116.309 115.700 -0.138 0.000 2.422 299 S HA 0.282 4.757 4.470 0.008 0.000 0.308 299 S C 0.785 175.426 174.600 0.068 0.000 1.097 299 S CA -0.075 58.124 58.200 -0.001 0.000 1.099 299 S CB 0.242 63.633 63.200 0.317 0.000 0.976 299 S HN 1.009 nan 8.310 nan 0.000 0.471 300 S N 4.878 120.518 115.700 -0.101 0.000 2.493 300 S HA -0.144 4.331 4.470 0.008 0.000 0.243 300 S C 1.699 176.292 174.600 -0.013 0.000 0.991 300 S CA 0.742 58.932 58.200 -0.018 0.000 0.957 300 S CB -0.344 62.795 63.200 -0.102 0.000 0.756 300 S HN 0.816 nan 8.310 nan 0.000 0.521 301 R N -0.174 120.306 120.500 -0.033 0.000 2.193 301 R HA 0.116 4.461 4.340 0.008 0.000 0.213 301 R C 0.572 176.561 176.300 -0.518 0.000 1.055 301 R CA 1.057 57.002 56.100 -0.258 0.000 0.995 301 R CB -0.098 30.026 30.300 -0.294 0.000 0.893 301 R HN 0.553 nan 8.270 nan 0.000 0.459 302 F N -0.903 119.085 119.950 0.063 0.000 2.728 302 F HA 0.458 4.990 4.527 0.008 0.000 0.314 302 F C 0.111 175.937 175.800 0.042 0.000 1.094 302 F CA -0.170 57.871 58.000 0.068 0.000 1.217 302 F CB 1.292 40.366 39.000 0.124 0.000 1.056 302 F HN -0.038 nan 8.300 nan 0.000 0.577 303 A N 0.209 123.128 122.820 0.165 0.000 2.517 303 A HA 0.577 4.902 4.320 0.008 0.000 0.297 303 A C -0.052 177.563 177.584 0.053 0.000 1.050 303 A CA -0.551 51.527 52.037 0.069 0.000 0.694 303 A CB 0.355 19.343 19.000 -0.021 0.000 1.277 303 A HN 0.058 nan 8.150 nan 0.000 0.400 304 T N -1.029 113.521 114.554 -0.007 0.000 2.828 304 T HA 0.304 4.659 4.350 0.008 0.000 0.290 304 T C 0.985 175.651 174.700 -0.057 0.000 1.019 304 T CA 0.474 62.573 62.100 -0.002 0.000 1.031 304 T CB 1.010 69.868 68.868 -0.017 0.000 1.001 304 T HN 0.797 nan 8.240 nan 0.000 0.531 305 E N 0.355 120.552 120.200 -0.005 0.000 2.118 305 E HA -0.238 4.117 4.350 0.008 0.000 0.195 305 E C 1.361 177.894 176.600 -0.112 0.000 0.992 305 E CA 1.558 57.936 56.400 -0.038 0.000 0.804 305 E CB -0.120 29.590 29.700 0.018 0.000 0.741 305 E HN 0.711 nan 8.360 nan 0.000 0.458 306 D N 0.215 120.575 120.400 -0.067 0.000 2.149 306 D HA -0.123 4.522 4.640 0.008 0.000 0.201 306 D C 1.716 177.977 176.300 -0.064 0.000 0.972 306 D CA 0.904 54.874 54.000 -0.051 0.000 0.835 306 D CB 0.044 40.828 40.800 -0.027 0.000 0.966 306 D HN 0.370 nan 8.370 nan 0.000 0.476 307 E N 0.842 120.992 120.200 -0.083 0.000 2.106 307 E HA -0.103 4.252 4.350 0.008 0.000 0.192 307 E C 2.097 178.636 176.600 -0.102 0.000 0.984 307 E CA 0.718 57.075 56.400 -0.071 0.000 0.806 307 E CB 0.043 29.709 29.700 -0.056 0.000 0.750 307 E HN 0.142 nan 8.360 nan 0.000 0.458 308 A N 0.891 123.546 122.820 -0.275 0.000 1.930 308 A HA -0.102 4.223 4.320 0.008 0.000 0.217 308 A C 2.466 180.008 177.584 -0.070 0.000 1.175 308 A CA 0.842 52.648 52.037 -0.383 0.000 0.627 308 A CB -0.482 17.638 19.000 -1.466 0.000 0.815 308 A HN 0.103 nan 8.150 nan 0.000 0.443 309 V N -0.004 119.863 119.914 -0.078 0.000 2.343 309 V HA -0.247 3.879 4.120 0.008 0.000 0.247 309 V C 2.649 178.810 176.094 0.111 0.000 1.051 309 V CA 2.308 64.645 62.300 0.061 0.000 1.036 309 V CB -0.746 31.092 31.823 0.025 0.000 0.654 309 V HN 0.657 nan 8.190 nan 0.000 0.451 310 R N -0.030 120.494 120.500 0.040 0.000 2.062 310 R HA -0.178 4.167 4.340 0.008 0.000 0.231 310 R C 2.344 178.651 176.300 0.012 0.000 1.136 310 R CA 1.941 58.055 56.100 0.023 0.000 0.948 310 R CB -0.224 30.076 30.300 0.000 0.000 0.845 310 R HN 0.605 nan 8.270 nan 0.000 0.430 311 E N -0.397 119.812 120.200 0.015 0.000 2.085 311 E HA -0.239 4.116 4.350 0.008 0.000 0.194 311 E C 1.756 178.303 176.600 -0.087 0.000 0.994 311 E CA 1.557 57.925 56.400 -0.052 0.000 0.801 311 E CB -0.252 29.419 29.700 -0.048 0.000 0.743 311 E HN 0.290 nan 8.360 nan 0.000 0.453 312 F N 1.060 120.935 119.950 -0.125 0.000 2.075 312 F HA -0.221 4.311 4.527 0.008 0.000 0.297 312 F C 2.223 178.007 175.800 -0.026 0.000 1.113 312 F CA 1.179 59.123 58.000 -0.093 0.000 1.218 312 F CB -0.560 38.487 39.000 0.077 0.000 0.984 312 F HN 0.028 nan 8.300 nan 0.000 0.472 313 C N 0.746 120.010 119.300 -0.059 0.000 2.425 313 C HA -0.145 4.320 4.460 0.008 0.000 0.277 313 C C 2.670 177.562 174.990 -0.165 0.000 1.280 313 C CA 1.264 60.196 59.018 -0.142 0.000 1.744 313 C CB -1.214 26.525 27.740 -0.003 0.000 1.989 313 C HN 0.534 nan 8.230 nan 0.000 0.491 314 E N 0.843 120.953 120.200 -0.150 0.000 2.110 314 E HA -0.261 4.094 4.350 0.008 0.000 0.193 314 E C 2.131 178.504 176.600 -0.378 0.000 0.988 314 E CA 1.563 57.862 56.400 -0.167 0.000 0.804 314 E CB -0.337 29.298 29.700 -0.109 0.000 0.745 314 E HN 0.802 nan 8.360 nan 0.000 0.458 315 M N -0.896 118.412 119.600 -0.487 0.000 2.213 315 M HA -0.135 4.350 4.480 0.008 0.000 0.263 315 M C 1.102 176.824 176.300 -0.963 0.000 1.062 315 M CA 1.648 56.501 55.300 -0.744 0.000 1.105 315 M CB -0.190 31.909 32.600 -0.836 0.000 1.385 315 M HN 0.064 nan 8.290 nan 0.000 0.417 316 W N -0.166 120.820 121.300 -0.523 0.000 3.220 316 W HA 0.249 4.914 4.660 0.008 0.000 0.328 316 W C -0.112 176.223 176.519 -0.306 0.000 1.205 316 W CA -0.597 56.509 57.345 -0.399 0.000 1.773 316 W CB 0.197 29.440 29.460 -0.362 0.000 1.086 316 W HN 0.358 nan 8.180 nan 0.000 0.622 317 H N -0.153 118.943 119.070 0.043 0.000 2.748 317 H HA -0.147 4.414 4.556 0.008 0.000 0.322 317 H C -0.328 175.014 175.328 0.023 0.000 1.208 317 H CA 0.876 56.938 56.048 0.022 0.000 1.151 317 H CB -2.072 27.712 29.762 0.038 0.000 1.505 317 H HN 0.204 nan 8.280 nan 0.000 0.429 318 L N 0.135 121.390 121.223 0.053 0.000 2.322 318 L HA 0.361 4.706 4.340 0.008 0.000 0.269 318 L C 0.907 177.789 176.870 0.020 0.000 1.012 318 L CA -0.923 53.931 54.840 0.025 0.000 0.815 318 L CB 1.463 43.507 42.059 -0.025 0.000 1.295 318 L HN -0.017 nan 8.230 nan 0.000 0.438 319 D N 2.883 123.294 120.400 0.019 0.000 2.365 319 D HA 0.130 4.775 4.640 0.008 0.000 0.237 319 D C -1.496 174.818 176.300 0.023 0.000 1.190 319 D CA -2.035 51.977 54.000 0.020 0.000 0.867 319 D CB 1.233 42.043 40.800 0.016 0.000 1.050 319 D HN 0.198 nan 8.370 nan 0.000 0.491 320 P HA -0.145 nan 4.420 nan 0.000 0.223 320 P C 0.610 177.928 177.300 0.030 0.000 1.144 320 P CA 0.859 63.980 63.100 0.036 0.000 0.783 320 P CB 0.603 32.322 31.700 0.030 0.000 0.771 321 E N -0.807 119.405 120.200 0.021 0.000 2.400 321 E HA 0.007 4.362 4.350 0.008 0.000 0.195 321 E C 1.694 178.304 176.600 0.016 0.000 1.012 321 E CA 1.335 57.745 56.400 0.017 0.000 0.875 321 E CB 0.002 29.710 29.700 0.012 0.000 0.859 321 E HN 0.440 nan 8.360 nan 0.000 0.498 322 T N -2.991 111.573 114.554 0.017 0.000 2.958 322 T HA 0.066 4.421 4.350 0.008 0.000 0.256 322 T C 0.908 175.617 174.700 0.015 0.000 0.983 322 T CA -0.357 61.751 62.100 0.014 0.000 0.924 322 T CB 0.304 69.178 68.868 0.009 0.000 1.136 322 T HN -0.170 nan 8.240 nan 0.000 0.506 323 Q N 3.583 123.395 119.800 0.020 0.000 2.300 323 Q HA 0.291 4.636 4.340 0.008 0.000 0.280 323 Q C -2.751 173.267 176.000 0.030 0.000 1.033 323 Q CA -1.453 54.362 55.803 0.020 0.000 0.903 323 Q CB 0.329 29.083 28.738 0.027 0.000 1.195 323 Q HN 0.186 nan 8.270 nan 0.000 0.386 324 P HA 0.128 nan 4.420 nan 0.000 0.271 324 P C -1.186 176.143 177.300 0.048 0.000 1.233 324 P CA 0.327 63.442 63.100 0.026 0.000 0.764 324 P CB 0.465 32.172 31.700 0.011 0.000 0.825 325 L N 3.442 124.697 121.223 0.053 0.000 2.388 325 L HA 0.434 4.779 4.340 0.008 0.000 0.264 325 L C 0.110 177.005 176.870 0.042 0.000 0.998 325 L CA -0.602 54.277 54.840 0.066 0.000 0.817 325 L CB 2.425 44.531 42.059 0.079 0.000 1.338 325 L HN 0.232 nan 8.230 nan 0.000 0.414 326 N N 1.798 120.518 118.700 0.034 0.000 2.444 326 N HA 0.414 5.159 4.740 0.008 0.000 0.262 326 N C -1.095 174.405 175.510 -0.017 0.000 0.974 326 N CA -0.781 52.288 53.050 0.031 0.000 0.933 326 N CB 1.249 39.782 38.487 0.077 0.000 1.137 326 N HN 0.380 nan 8.380 nan 0.000 0.498 327 R N 2.854 123.339 120.500 -0.026 0.000 2.229 327 R HA 0.476 4.821 4.340 0.008 0.000 0.332 327 R C -0.646 175.596 176.300 -0.096 0.000 0.989 327 R CA -0.336 55.726 56.100 -0.063 0.000 0.842 327 R CB 0.910 31.186 30.300 -0.040 0.000 1.119 327 R HN 0.437 nan 8.270 nan 0.000 0.456 328 I N 2.025 122.479 120.570 -0.192 0.000 2.569 328 I HA 0.441 4.616 4.170 0.008 0.000 0.296 328 I C -0.182 175.631 176.117 -0.507 0.000 1.028 328 I CA -1.107 60.013 61.300 -0.299 0.000 1.082 328 I CB 1.834 39.628 38.000 -0.343 0.000 1.264 328 I HN 0.255 nan 8.210 nan 0.000 0.429 329 R N 5.080 125.326 120.500 -0.424 0.000 2.337 329 R HA 0.526 4.871 4.340 0.008 0.000 0.319 329 R C -1.663 174.338 176.300 -0.498 0.000 0.954 329 R CA -0.706 55.124 56.100 -0.450 0.000 0.840 329 R CB 0.266 30.398 30.300 -0.281 0.000 1.164 329 R HN 0.287 nan 8.270 nan 0.000 0.472 330 F N 2.282 121.976 119.950 -0.426 0.000 2.380 330 F HA 0.474 5.006 4.527 0.009 0.000 0.325 330 F C 1.089 176.392 175.800 -0.828 0.000 1.136 330 F CA -0.546 56.988 58.000 -0.777 0.000 1.171 330 F CB 0.734 39.503 39.000 -0.385 0.000 1.230 330 F HN 0.296 nan 8.300 nan 0.000 0.554 331 R N 1.730 121.579 120.500 -1.086 0.000 2.287 331 R HA 0.548 4.894 4.340 0.008 0.000 0.316 331 R C -1.892 174.413 176.300 0.009 0.000 1.050 331 R CA -0.310 55.435 56.100 -0.591 0.000 0.983 331 R CB 0.530 30.348 30.300 -0.803 0.000 1.140 331 R HN 0.526 nan 8.270 nan 0.000 0.528 332 V N 4.484 124.577 119.914 0.298 0.000 2.432 332 V HA 0.717 4.842 4.120 0.008 0.000 0.275 332 V C 0.910 177.387 176.094 0.639 0.000 1.043 332 V CA 0.537 63.183 62.300 0.578 0.000 0.925 332 V CB 0.958 33.061 31.823 0.466 0.000 0.985 332 V HN 1.073 nan 8.190 nan 0.000 0.466 333 G N 5.156 114.331 108.800 0.625 0.000 2.260 333 G HA2 0.241 4.206 3.960 0.008 0.000 0.250 333 G HA3 0.241 4.206 3.960 0.008 0.000 0.250 333 G C -0.986 173.582 174.900 -0.554 0.000 1.340 333 G CA -0.312 44.875 45.100 0.145 0.000 1.056 333 G HN 1.045 nan 8.290 nan 0.000 0.471 334 R N -0.801 119.025 120.500 -1.123 0.000 2.710 334 R HA 0.632 4.977 4.340 0.008 0.000 0.270 334 R C -0.935 174.837 176.300 -0.879 0.000 1.021 334 R CA -1.085 54.444 56.100 -0.952 0.000 0.889 334 R CB 0.681 30.394 30.300 -0.979 0.000 1.243 334 R HN 0.472 nan 8.270 nan 0.000 0.464 335 N N 1.018 119.509 118.700 -0.347 0.000 2.453 335 N HA 0.031 4.776 4.740 0.008 0.000 0.253 335 N C 0.544 175.959 175.510 -0.157 0.000 1.252 335 N CA -0.169 52.800 53.050 -0.136 0.000 0.917 335 N CB 0.946 39.464 38.487 0.051 0.000 1.117 335 N HN 0.640 nan 8.380 nan 0.000 0.442 336 R N 0.968 121.414 120.500 -0.090 0.000 2.105 336 R HA -0.066 4.279 4.340 0.008 0.000 0.239 336 R C -0.183 176.096 176.300 -0.036 0.000 1.135 336 R CA 1.439 57.501 56.100 -0.063 0.000 0.967 336 R CB 0.285 30.569 30.300 -0.027 0.000 0.861 336 R HN 0.497 nan 8.270 nan 0.000 0.442 337 R N -1.933 118.566 120.500 -0.003 0.000 2.564 337 R HA 0.309 4.654 4.340 0.008 0.000 0.284 337 R C -0.121 176.231 176.300 0.087 0.000 1.031 337 R CA 0.009 56.129 56.100 0.034 0.000 0.904 337 R CB 1.874 32.196 30.300 0.036 0.000 1.199 337 R HN 0.081 nan 8.270 nan 0.000 0.443 338 A N 2.725 125.626 122.820 0.135 0.000 1.968 338 A HA -0.059 4.267 4.320 0.008 0.000 0.217 338 A C -0.018 177.774 177.584 0.346 0.000 1.169 338 A CA 0.954 53.120 52.037 0.214 0.000 0.638 338 A CB 0.069 19.205 19.000 0.227 0.000 0.812 338 A HN 0.657 nan 8.150 nan 0.000 0.446 339 W N 0.119 121.512 121.300 0.155 0.000 2.538 339 W HA 0.568 5.233 4.660 0.008 0.000 0.322 339 W C -1.902 174.625 176.519 0.014 0.000 1.028 339 W CA -1.680 55.692 57.345 0.045 0.000 1.228 339 W CB 1.175 30.601 29.460 -0.057 0.000 1.356 339 W HN -0.096 nan 8.180 nan 0.000 0.452 340 V N 7.733 127.890 119.914 0.405 0.000 2.588 340 V HA 0.751 4.876 4.120 0.008 0.000 0.304 340 V C 0.836 177.056 176.094 0.209 0.000 1.042 340 V CA 0.149 62.550 62.300 0.169 0.000 0.877 340 V CB 0.911 32.791 31.823 0.096 0.000 0.996 340 V HN 1.046 nan 8.190 nan 0.000 0.425 341 G N 4.881 113.733 108.800 0.087 0.000 2.629 341 G HA2 -0.329 3.636 3.960 0.008 0.000 0.313 341 G HA3 -0.329 3.636 3.960 0.008 0.000 0.313 341 G C 0.454 175.519 174.900 0.275 0.000 1.217 341 G CA 0.760 45.923 45.100 0.105 0.000 0.994 341 G HN 1.278 nan 8.290 nan 0.000 0.549 342 N N 0.311 119.143 118.700 0.221 0.000 2.328 342 N HA 0.325 5.070 4.740 0.008 0.000 0.247 342 N C -0.177 175.431 175.510 0.164 0.000 1.165 342 N CA 0.614 53.808 53.050 0.240 0.000 0.873 342 N CB 0.080 38.684 38.487 0.195 0.000 1.125 342 N HN 0.926 nan 8.380 nan 0.000 0.513 343 C N 1.135 120.525 119.300 0.150 0.000 2.316 343 C HA 0.643 5.108 4.460 0.008 0.000 0.324 343 C C -0.607 174.357 174.990 -0.043 0.000 1.226 343 C CA -0.389 58.659 59.018 0.050 0.000 1.450 343 C CB -0.254 27.512 27.740 0.042 0.000 2.123 343 C HN 0.187 nan 8.230 nan 0.000 0.454 344 V N 6.909 126.666 119.914 -0.262 0.000 2.370 344 V HA 0.507 4.632 4.120 0.008 0.000 0.283 344 V C 0.476 176.495 176.094 -0.125 0.000 1.023 344 V CA -0.158 61.928 62.300 -0.356 0.000 0.857 344 V CB 1.693 33.055 31.823 -0.768 0.000 0.985 344 V HN 0.977 nan 8.190 nan 0.000 0.443 345 S N 6.305 122.009 115.700 0.007 0.000 2.525 345 S HA 0.741 5.216 4.470 0.008 0.000 0.278 345 S C -0.691 173.933 174.600 0.041 0.000 1.234 345 S CA -0.613 57.605 58.200 0.030 0.000 1.058 345 S CB 1.064 64.307 63.200 0.072 0.000 0.983 345 S HN 0.454 nan 8.310 nan 0.000 0.495 346 I N 2.491 123.063 120.570 0.003 0.000 2.499 346 I HA 0.703 4.878 4.170 0.008 0.000 0.288 346 I C 0.867 176.977 176.117 -0.011 0.000 1.048 346 I CA 0.340 61.638 61.300 -0.003 0.000 1.062 346 I CB 0.813 38.790 38.000 -0.039 0.000 1.238 346 I HN 1.170 nan 8.210 nan 0.000 0.426 347 G N 4.845 113.652 108.800 0.011 0.000 2.482 347 G HA2 -0.235 3.730 3.960 0.008 0.000 0.214 347 G HA3 -0.235 3.730 3.960 0.008 0.000 0.214 347 G C 0.617 175.559 174.900 0.071 0.000 1.271 347 G CA 0.093 45.207 45.100 0.024 0.000 0.944 347 G HN 0.755 nan 8.290 nan 0.000 0.568 348 T N -1.202 113.364 114.554 0.020 0.000 3.051 348 T HA 0.083 4.439 4.350 0.008 0.000 0.269 348 T C 2.557 177.304 174.700 0.078 0.000 1.127 348 T CA 2.327 64.455 62.100 0.047 0.000 1.107 348 T CB -0.445 68.190 68.868 -0.388 0.000 0.898 348 T HN 1.900 nan 8.240 nan 0.000 0.517 349 S N 0.981 116.695 115.700 0.023 0.000 2.447 349 S HA -0.050 4.425 4.470 0.008 0.000 0.233 349 S C 2.200 176.873 174.600 0.122 0.000 1.006 349 S CA 0.939 59.171 58.200 0.054 0.000 0.957 349 S CB -0.511 62.695 63.200 0.011 0.000 0.773 349 S HN 0.533 nan 8.310 nan 0.000 0.507 350 S N 0.449 116.218 115.700 0.115 0.000 2.384 350 S HA 0.211 4.686 4.470 0.008 0.000 0.217 350 S C 0.807 175.464 174.600 0.095 0.000 1.041 350 S CA 0.602 58.861 58.200 0.099 0.000 0.948 350 S CB -0.448 62.780 63.200 0.047 0.000 0.872 350 S HN 1.006 nan 8.310 nan 0.000 0.512 351 C N -0.868 118.501 119.300 0.114 0.000 3.311 351 C HA 0.868 5.333 4.460 0.008 0.000 0.325 351 C C -1.305 173.923 174.990 0.397 0.000 1.352 351 C CA -1.556 57.476 59.018 0.023 0.000 1.308 351 C CB 0.428 27.850 27.740 -0.529 0.000 1.619 351 C HN 0.495 nan 8.230 nan 0.000 0.469 352 F N 0.726 120.881 119.950 0.341 0.000 2.650 352 F HA 0.744 5.276 4.527 0.009 0.000 0.310 352 F C -1.451 174.729 175.800 0.632 0.000 1.112 352 F CA -0.533 57.780 58.000 0.522 0.000 0.986 352 F CB 1.522 40.834 39.000 0.519 0.000 1.285 352 F HN 0.937 nan 8.300 nan 0.000 0.440 353 V N 5.409 125.048 119.914 -0.459 0.000 2.971 353 V HA 0.393 4.518 4.120 0.008 0.000 0.309 353 V C -1.119 174.455 176.094 -0.867 0.000 1.130 353 V CA -0.651 61.476 62.300 -0.288 0.000 0.964 353 V CB 2.123 33.961 31.823 0.024 0.000 1.029 353 V HN 0.867 nan 8.190 nan 0.000 0.427 354 E N 6.892 126.912 120.200 -0.300 0.000 2.534 354 E HA 0.028 4.383 4.350 0.008 0.000 0.264 354 E C -2.022 174.594 176.600 0.027 0.000 0.981 354 E CA -0.844 55.535 56.400 -0.035 0.000 0.948 354 E CB 0.283 30.264 29.700 0.469 0.000 0.934 354 E HN 0.547 nan 8.360 nan 0.000 0.459 355 P HA -0.065 nan 4.420 nan 0.000 0.271 355 P C 0.800 178.294 177.300 0.324 0.000 1.535 355 P CA -0.003 63.188 63.100 0.153 0.000 0.820 355 P CB -0.026 31.688 31.700 0.024 0.000 1.606 356 L N 0.460 121.828 121.223 0.242 0.000 2.127 356 L HA -0.078 4.267 4.340 0.008 0.000 0.211 356 L C 1.431 178.209 176.870 -0.153 0.000 1.089 356 L CA 1.990 56.662 54.840 -0.280 0.000 0.757 356 L CB -0.529 41.227 42.059 -0.505 0.000 0.899 356 L HN -0.079 nan 8.230 nan 0.000 0.434 357 E N -0.840 119.372 120.200 0.019 0.000 2.789 357 E HA 0.226 4.581 4.350 0.008 0.000 0.208 357 E C 0.085 176.826 176.600 0.235 0.000 0.988 357 E CA 0.264 56.790 56.400 0.210 0.000 1.092 357 E CB 0.286 30.228 29.700 0.404 0.000 1.066 357 E HN 0.280 nan 8.360 nan 0.000 0.465 358 S N 0.368 116.149 115.700 0.134 0.000 3.628 358 S HA -0.169 4.306 4.470 0.008 0.000 0.373 358 S C 1.118 175.769 174.600 0.086 0.000 0.968 358 S CA 1.211 59.478 58.200 0.112 0.000 1.215 358 S CB -1.822 61.487 63.200 0.182 0.000 0.912 358 S HN 0.533 nan 8.310 nan 0.000 0.495 359 T N -3.225 111.301 114.554 -0.046 0.000 3.001 359 T HA 0.356 4.711 4.350 0.008 0.000 0.251 359 T C 1.981 176.400 174.700 -0.468 0.000 1.040 359 T CA 0.679 62.634 62.100 -0.240 0.000 0.985 359 T CB 0.167 68.749 68.868 -0.476 0.000 1.011 359 T HN 0.554 nan 8.240 nan 0.000 0.509 360 G N 2.616 111.244 108.800 -0.287 0.000 2.553 360 G HA2 -0.160 3.805 3.960 0.008 0.000 0.218 360 G HA3 -0.160 3.805 3.960 0.008 0.000 0.218 360 G C 1.385 176.240 174.900 -0.076 0.000 1.195 360 G CA 1.118 46.120 45.100 -0.163 0.000 0.779 360 G HN 0.553 nan 8.290 nan 0.000 0.577 361 I N -0.675 119.876 120.570 -0.032 0.000 2.353 361 I HA -0.079 4.096 4.170 0.008 0.000 0.248 361 I C 2.460 178.431 176.117 -0.244 0.000 1.119 361 I CA 0.917 62.203 61.300 -0.024 0.000 1.417 361 I CB -0.281 37.796 38.000 0.128 0.000 1.078 361 I HN 0.273 nan 8.210 nan 0.000 0.421 362 Y N 1.735 121.806 120.300 -0.382 0.000 2.128 362 Y HA -0.314 4.241 4.550 0.008 0.000 0.284 362 Y C 2.256 177.792 175.900 -0.607 0.000 1.154 362 Y CA 1.530 59.157 58.100 -0.788 0.000 1.149 362 Y CB -0.565 37.711 38.460 -0.308 0.000 0.976 362 Y HN 0.000 nan 8.280 nan 0.000 0.505 363 F N -0.420 119.181 119.950 -0.582 0.000 2.202 363 F HA -0.217 4.315 4.527 0.008 0.000 0.301 363 F C 2.489 178.016 175.800 -0.455 0.000 1.082 363 F CA 1.065 58.765 58.000 -0.501 0.000 1.313 363 F CB -1.337 37.582 39.000 -0.135 0.000 1.024 363 F HN 0.022 nan 8.300 nan 0.000 0.495 364 V N -0.146 119.635 119.914 -0.222 0.000 2.244 364 V HA -0.303 3.822 4.120 0.008 0.000 0.244 364 V C 2.249 178.174 176.094 -0.281 0.000 1.042 364 V CA 2.200 64.380 62.300 -0.199 0.000 1.006 364 V CB -1.166 30.562 31.823 -0.157 0.000 0.641 364 V HN 0.437 nan 8.190 nan 0.000 0.446 365 Y N 0.652 120.753 120.300 -0.331 0.000 2.516 365 Y HA 0.347 4.902 4.550 0.009 0.000 0.291 365 Y C 2.224 177.852 175.900 -0.453 0.000 1.131 365 Y CA 0.643 58.487 58.100 -0.427 0.000 1.281 365 Y CB -1.151 37.071 38.460 -0.397 0.000 1.013 365 Y HN 0.071 nan 8.280 nan 0.000 0.554 366 A N 1.493 123.985 122.820 -0.547 0.000 1.898 366 A HA 0.025 4.350 4.320 0.008 0.000 0.216 366 A C 2.483 179.967 177.584 -0.165 0.000 1.181 366 A CA 1.743 53.612 52.037 -0.279 0.000 0.620 366 A CB -1.252 17.391 19.000 -0.595 0.000 0.819 366 A HN 0.593 nan 8.150 nan 0.000 0.442 367 A N -0.270 122.427 122.820 -0.206 0.000 1.898 367 A HA 0.019 4.344 4.320 0.008 0.000 0.216 367 A C 2.135 179.736 177.584 0.027 0.000 1.181 367 A CA 1.365 53.361 52.037 -0.069 0.000 0.620 367 A CB -0.574 18.402 19.000 -0.041 0.000 0.819 367 A HN 0.454 nan 8.150 nan 0.000 0.442 368 L N -1.970 119.151 121.223 -0.169 0.000 2.083 368 L HA -0.194 4.151 4.340 0.008 0.000 0.209 368 L C 2.577 179.225 176.870 -0.370 0.000 1.083 368 L CA 1.731 56.388 54.840 -0.304 0.000 0.752 368 L CB -0.595 41.116 42.059 -0.580 0.000 0.899 368 L HN 0.635 nan 8.230 nan 0.000 0.433 369 Y N 0.499 120.467 120.300 -0.554 0.000 2.200 369 Y HA -0.237 4.318 4.550 0.008 0.000 0.290 369 Y C 2.696 178.568 175.900 -0.046 0.000 1.137 369 Y CA 1.410 59.303 58.100 -0.345 0.000 1.163 369 Y CB -0.034 38.179 38.460 -0.412 0.000 0.988 369 Y HN 0.130 nan 8.280 nan 0.000 0.518 370 Q N -0.057 119.835 119.800 0.154 0.000 2.167 370 Q HA -0.124 4.221 4.340 0.008 0.000 0.202 370 Q C 2.291 178.595 176.000 0.506 0.000 0.970 370 Q CA 1.229 57.191 55.803 0.264 0.000 0.855 370 Q CB -0.595 28.196 28.738 0.088 0.000 0.911 370 Q HN 0.543 nan 8.270 nan 0.000 0.438 371 L N 0.044 121.504 121.223 0.394 0.000 2.027 371 L HA -0.110 4.236 4.340 0.008 0.000 0.206 371 L C 2.158 179.169 176.870 0.235 0.000 1.074 371 L CA 1.420 56.353 54.840 0.154 0.000 0.745 371 L CB -0.743 41.269 42.059 -0.079 0.000 0.898 371 L HN -0.075 nan 8.230 nan 0.000 0.433 372 V N 0.075 120.074 119.914 0.142 0.000 2.407 372 V HA -0.285 3.840 4.120 0.008 0.000 0.248 372 V C 2.724 178.860 176.094 0.069 0.000 1.055 372 V CA 1.983 64.329 62.300 0.078 0.000 1.049 372 V CB -0.770 31.038 31.823 -0.025 0.000 0.662 372 V HN 0.497 nan 8.190 nan 0.000 0.455 373 K N -0.349 120.037 120.400 -0.024 0.000 2.097 373 K HA -0.168 4.157 4.320 0.008 0.000 0.206 373 K C 1.293 177.861 176.600 -0.055 0.000 1.049 373 K CA 1.534 57.755 56.287 -0.110 0.000 0.933 373 K CB -0.085 32.279 32.500 -0.226 0.000 0.717 373 K HN 0.595 nan 8.250 nan 0.000 0.442 374 H N -1.440 117.736 119.070 0.177 0.000 2.488 374 H HA 0.135 4.696 4.556 0.009 0.000 0.294 374 H C -0.852 174.642 175.328 0.275 0.000 1.088 374 H CA -0.572 55.620 56.048 0.240 0.000 1.086 374 H CB -0.366 29.611 29.762 0.360 0.000 1.569 374 H HN -0.025 nan 8.280 nan 0.000 0.548 375 F N 4.400 124.437 119.950 0.145 0.000 2.578 375 F HA 0.119 4.652 4.527 0.009 0.000 0.381 375 F C -1.743 174.136 175.800 0.131 0.000 1.069 375 F CA -2.167 55.885 58.000 0.088 0.000 1.231 375 F CB 0.618 39.625 39.000 0.011 0.000 1.086 375 F HN 0.162 nan 8.300 nan 0.000 0.564 376 P HA 0.295 nan 4.420 nan 0.000 0.284 376 P C -1.548 175.659 177.300 -0.154 0.000 1.287 376 P CA -0.491 62.547 63.100 -0.103 0.000 0.824 376 P CB 1.807 33.517 31.700 0.016 0.000 1.180 377 D N -1.113 119.263 120.400 -0.039 0.000 2.627 377 D HA 0.262 4.907 4.640 0.008 0.000 0.259 377 D C 0.917 177.204 176.300 -0.021 0.000 1.164 377 D CA -0.645 53.350 54.000 -0.008 0.000 1.087 377 D CB 0.311 41.127 40.800 0.027 0.000 1.217 377 D HN 0.078 nan 8.370 nan 0.000 0.630 378 K N -0.824 119.576 120.400 -0.000 0.000 2.280 378 K HA -0.065 4.260 4.320 0.008 0.000 0.202 378 K C 1.787 178.392 176.600 0.010 0.000 1.047 378 K CA 1.242 57.532 56.287 0.005 0.000 0.942 378 K CB -0.110 32.398 32.500 0.013 0.000 0.739 378 K HN 0.454 nan 8.250 nan 0.000 0.457 379 S N 0.498 116.202 115.700 0.007 0.000 2.515 379 S HA -0.029 4.446 4.470 0.008 0.000 0.231 379 S C 0.705 175.305 174.600 -0.001 0.000 0.987 379 S CA 0.176 58.379 58.200 0.004 0.000 0.936 379 S CB -0.544 62.657 63.200 0.002 0.000 0.766 379 S HN 0.330 nan 8.310 nan 0.000 0.528 380 L N 1.614 122.840 121.223 0.004 0.000 3.795 380 L HA -0.165 4.180 4.340 0.008 0.000 0.489 380 L C 0.204 177.044 176.870 -0.050 0.000 1.259 380 L CA -0.005 54.837 54.840 0.002 0.000 0.765 380 L CB -2.098 39.976 42.059 0.025 0.000 1.519 380 L HN 0.481 nan 8.230 nan 0.000 0.842 381 N N 2.869 121.543 118.700 -0.043 0.000 2.315 381 N HA -0.017 4.728 4.740 0.008 0.000 0.270 381 N C -0.679 174.758 175.510 -0.121 0.000 1.329 381 N CA -0.595 52.420 53.050 -0.058 0.000 0.860 381 N CB 0.986 39.455 38.487 -0.030 0.000 1.095 381 N HN 0.222 nan 8.380 nan 0.000 0.487 382 P HA -0.124 nan 4.420 nan 0.000 0.221 382 P C 1.308 178.506 177.300 -0.171 0.000 1.145 382 P CA 0.705 63.700 63.100 -0.176 0.000 0.795 382 P CB 0.358 31.985 31.700 -0.121 0.000 0.775 383 V N 0.159 120.011 119.914 -0.102 0.000 2.427 383 V HA -0.198 3.927 4.120 0.008 0.000 0.248 383 V C 2.776 178.844 176.094 -0.043 0.000 1.051 383 V CA 1.391 63.657 62.300 -0.057 0.000 1.048 383 V CB -1.123 30.691 31.823 -0.016 0.000 0.666 383 V HN 0.030 nan 8.190 nan 0.000 0.456 384 L N -0.254 120.931 121.223 -0.063 0.000 2.027 384 L HA -0.152 4.193 4.340 0.008 0.000 0.206 384 L C 2.663 179.418 176.870 -0.192 0.000 1.074 384 L CA 1.939 56.791 54.840 0.021 0.000 0.745 384 L CB -1.141 40.945 42.059 0.045 0.000 0.898 384 L HN 0.318 nan 8.230 nan 0.000 0.433 385 T N 0.045 114.216 114.554 -0.637 0.000 2.708 385 T HA -0.176 4.179 4.350 0.008 0.000 0.266 385 T C 2.026 176.489 174.700 -0.395 0.000 1.037 385 T CA 1.404 62.858 62.100 -1.076 0.000 1.146 385 T CB -0.265 67.840 68.868 -1.272 0.000 0.865 385 T HN 0.441 nan 8.240 nan 0.000 0.435 386 A N 1.787 124.463 122.820 -0.240 0.000 1.898 386 A HA -0.084 4.242 4.320 0.008 0.000 0.216 386 A C 2.422 179.980 177.584 -0.043 0.000 1.181 386 A CA 1.013 52.984 52.037 -0.110 0.000 0.620 386 A CB -0.329 18.621 19.000 -0.082 0.000 0.819 386 A HN 0.213 nan 8.150 nan 0.000 0.442 387 R N -1.597 118.901 120.500 -0.004 0.000 2.092 387 R HA -0.074 4.271 4.340 0.008 0.000 0.231 387 R C 1.948 178.178 176.300 -0.117 0.000 1.119 387 R CA 1.347 57.473 56.100 0.043 0.000 0.970 387 R CB -0.994 29.446 30.300 0.234 0.000 0.864 387 R HN 0.649 nan 8.270 nan 0.000 0.440 388 F N 2.764 122.470 119.950 -0.407 0.000 2.095 388 F HA -0.196 4.335 4.527 0.008 0.000 0.298 388 F C 1.869 177.583 175.800 -0.144 0.000 1.104 388 F CA 1.501 59.229 58.000 -0.453 0.000 1.232 388 F CB -0.312 38.638 39.000 -0.084 0.000 0.987 388 F HN -0.042 nan 8.300 nan 0.000 0.475 389 N N 0.585 119.303 118.700 0.030 0.000 2.149 389 N HA -0.205 4.540 4.740 0.008 0.000 0.188 389 N C 2.082 177.524 175.510 -0.114 0.000 1.019 389 N CA 1.221 54.252 53.050 -0.031 0.000 0.857 389 N CB -0.574 37.938 38.487 0.042 0.000 0.997 389 N HN 0.395 nan 8.380 nan 0.000 0.426 390 R N 1.156 121.606 120.500 -0.083 0.000 2.075 390 R HA -0.072 4.273 4.340 0.008 0.000 0.232 390 R C 1.399 177.668 176.300 -0.051 0.000 1.126 390 R CA 1.052 57.125 56.100 -0.045 0.000 0.963 390 R CB 0.140 30.438 30.300 -0.004 0.000 0.858 390 R HN 0.143 nan 8.270 nan 0.000 0.435 391 E N 0.733 120.880 120.200 -0.088 0.000 2.077 391 E HA -0.190 4.165 4.350 0.008 0.000 0.193 391 E C 2.056 178.626 176.600 -0.051 0.000 0.989 391 E CA 0.938 57.340 56.400 0.002 0.000 0.800 391 E CB -0.165 29.514 29.700 -0.035 0.000 0.746 391 E HN 0.347 nan 8.360 nan 0.000 0.452 392 I N 1.442 121.842 120.570 -0.284 0.000 2.202 392 I HA -0.236 3.939 4.170 0.008 0.000 0.242 392 I C 2.616 178.642 176.117 -0.152 0.000 1.091 392 I CA 1.284 62.409 61.300 -0.292 0.000 1.368 392 I CB -1.336 36.406 38.000 -0.430 0.000 1.058 392 I HN 0.257 nan 8.210 nan 0.000 0.410 393 E N 0.692 120.830 120.200 -0.104 0.000 2.110 393 E HA -0.214 4.141 4.350 0.008 0.000 0.193 393 E C 1.944 178.562 176.600 0.029 0.000 0.988 393 E CA 2.058 58.444 56.400 -0.024 0.000 0.804 393 E CB -0.184 29.501 29.700 -0.025 0.000 0.745 393 E HN 0.345 nan 8.360 nan 0.000 0.458 394 T N 1.193 115.750 114.554 0.006 0.000 2.812 394 T HA -0.106 4.249 4.350 0.008 0.000 0.264 394 T C 1.723 176.430 174.700 0.012 0.000 1.042 394 T CA 1.291 63.403 62.100 0.019 0.000 1.140 394 T CB -0.229 68.648 68.868 0.015 0.000 0.870 394 T HN 0.298 nan 8.240 nan 0.000 0.445 395 M N 0.169 119.746 119.600 -0.039 0.000 2.080 395 M HA -0.124 4.361 4.480 0.008 0.000 0.260 395 M C 2.022 178.325 176.300 0.006 0.000 1.068 395 M CA 1.879 57.127 55.300 -0.087 0.000 1.109 395 M CB -0.299 32.212 32.600 -0.148 0.000 1.342 395 M HN 0.283 nan 8.290 nan 0.000 0.405 396 F N 1.344 121.161 119.950 -0.222 0.000 2.098 396 F HA -0.180 4.352 4.527 0.008 0.000 0.294 396 F C 1.711 177.551 175.800 0.066 0.000 1.107 396 F CA 1.992 59.904 58.000 -0.147 0.000 1.234 396 F CB -0.473 38.390 39.000 -0.229 0.000 1.002 396 F HN 0.224 nan 8.300 nan 0.000 0.472 397 D N 0.341 120.784 120.400 0.072 0.000 2.144 397 D HA -0.175 4.470 4.640 0.008 0.000 0.199 397 D C 1.824 178.092 176.300 -0.053 0.000 0.984 397 D CA 1.459 55.445 54.000 -0.022 0.000 0.834 397 D CB -0.529 40.302 40.800 0.051 0.000 0.955 397 D HN 0.335 nan 8.370 nan 0.000 0.465 398 D N -0.323 120.114 120.400 0.062 0.000 2.144 398 D HA -0.071 4.574 4.640 0.008 0.000 0.200 398 D C 1.941 178.298 176.300 0.094 0.000 0.978 398 D CA 0.995 55.079 54.000 0.141 0.000 0.833 398 D CB -0.293 40.703 40.800 0.327 0.000 0.961 398 D HN 0.156 nan 8.370 nan 0.000 0.470 399 T N 0.536 115.235 114.554 0.242 0.000 2.777 399 T HA -0.126 4.229 4.350 0.008 0.000 0.266 399 T C 1.907 176.550 174.700 -0.095 0.000 1.040 399 T CA 0.763 63.003 62.100 0.234 0.000 1.141 399 T CB 0.080 69.304 68.868 0.593 0.000 0.868 399 T HN 0.136 nan 8.240 nan 0.000 0.444 400 R N 1.132 121.459 120.500 -0.289 0.000 2.096 400 R HA -0.173 4.172 4.340 0.008 0.000 0.240 400 R C 1.767 177.972 176.300 -0.157 0.000 1.139 400 R CA 2.096 58.011 56.100 -0.308 0.000 0.952 400 R CB -0.408 29.640 30.300 -0.420 0.000 0.854 400 R HN 0.288 nan 8.270 nan 0.000 0.436 401 D N -0.054 120.257 120.400 -0.148 0.000 2.097 401 D HA -0.179 4.466 4.640 0.008 0.000 0.195 401 D C 1.636 177.922 176.300 -0.024 0.000 0.989 401 D CA 1.050 54.989 54.000 -0.101 0.000 0.827 401 D CB -0.464 40.294 40.800 -0.070 0.000 0.966 401 D HN 0.187 nan 8.370 nan 0.000 0.456 402 F N 1.415 121.194 119.950 -0.286 0.000 2.102 402 F HA -0.115 4.417 4.527 0.009 0.000 0.298 402 F C 2.224 177.919 175.800 -0.176 0.000 1.105 402 F CA 0.926 58.695 58.000 -0.385 0.000 1.239 402 F CB -0.463 37.922 39.000 -1.025 0.000 0.991 402 F HN -0.119 nan 8.300 nan 0.000 0.474 403 I N 0.016 120.429 120.570 -0.262 0.000 2.179 403 I HA -0.345 3.830 4.170 0.008 0.000 0.242 403 I C 2.564 178.667 176.117 -0.024 0.000 1.088 403 I CA 1.754 62.840 61.300 -0.356 0.000 1.357 403 I CB -0.687 37.198 38.000 -0.193 0.000 1.051 403 I HN 0.260 nan 8.210 nan 0.000 0.409 404 Q N 1.369 121.220 119.800 0.084 0.000 2.152 404 Q HA -0.258 4.087 4.340 0.008 0.000 0.206 404 Q C 2.217 178.335 176.000 0.197 0.000 0.985 404 Q CA 2.094 58.026 55.803 0.214 0.000 0.863 404 Q CB -0.170 28.641 28.738 0.122 0.000 0.904 404 Q HN 0.533 nan 8.270 nan 0.000 0.422 405 A N -0.047 122.820 122.820 0.079 0.000 2.019 405 A HA -0.213 4.112 4.320 0.008 0.000 0.219 405 A C 1.439 179.069 177.584 0.077 0.000 1.164 405 A CA 1.622 53.728 52.037 0.114 0.000 0.644 405 A CB -0.789 18.260 19.000 0.082 0.000 0.805 405 A HN 0.581 nan 8.150 nan 0.000 0.449 406 H N -1.599 117.294 119.070 -0.295 0.000 2.387 406 H HA -0.046 4.515 4.556 0.008 0.000 0.299 406 H C 1.465 176.710 175.328 -0.139 0.000 1.090 406 H CA 2.027 57.787 56.048 -0.480 0.000 1.332 406 H CB -0.300 28.919 29.762 -0.905 0.000 1.386 406 H HN 0.610 nan 8.280 nan 0.000 0.516 407 F N -2.011 118.181 119.950 0.402 0.000 2.374 407 F HA 0.000 4.533 4.527 0.009 0.000 0.291 407 F C 2.195 178.131 175.800 0.227 0.000 1.084 407 F CA 0.311 58.564 58.000 0.421 0.000 1.413 407 F CB -0.743 38.369 39.000 0.185 0.000 1.099 407 F HN 0.063 nan 8.300 nan 0.000 0.534 408 Y N -0.500 119.861 120.300 0.103 0.000 2.224 408 Y HA -0.200 4.355 4.550 0.008 0.000 0.289 408 Y C 1.362 177.033 175.900 -0.383 0.000 1.146 408 Y CA 1.583 59.546 58.100 -0.228 0.000 1.182 408 Y CB -0.410 37.768 38.460 -0.470 0.000 0.983 408 Y HN -0.021 nan 8.280 nan 0.000 0.524 409 F N -0.705 119.362 119.950 0.194 0.000 2.693 409 F HA 0.232 4.764 4.527 0.009 0.000 0.303 409 F C 1.136 176.946 175.800 0.017 0.000 1.097 409 F CA -0.079 57.952 58.000 0.051 0.000 1.330 409 F CB -0.368 38.617 39.000 -0.026 0.000 1.067 409 F HN -0.199 nan 8.300 nan 0.000 0.565 410 S N 2.746 118.582 115.700 0.228 0.000 2.564 410 S HA 0.136 4.611 4.470 0.008 0.000 0.278 410 S C -1.097 173.550 174.600 0.080 0.000 1.333 410 S CA -1.150 57.165 58.200 0.191 0.000 1.048 410 S CB 0.863 64.247 63.200 0.307 0.000 0.900 410 S HN 0.017 nan 8.310 nan 0.000 0.505 411 P HA 0.031 nan 4.420 nan 0.000 0.241 411 P C -0.136 177.134 177.300 -0.050 0.000 1.191 411 P CA 0.155 63.249 63.100 -0.009 0.000 0.771 411 P CB 0.094 31.788 31.700 -0.009 0.000 0.929 412 R N 0.686 121.107 120.500 -0.132 0.000 2.570 412 R HA 0.176 4.521 4.340 0.008 0.000 0.277 412 R C 1.022 177.312 176.300 -0.018 0.000 1.039 412 R CA 1.097 57.077 56.100 -0.200 0.000 1.065 412 R CB -0.166 29.737 30.300 -0.662 0.000 0.964 412 R HN 0.136 nan 8.270 nan 0.000 0.428 413 T N -3.176 111.380 114.554 0.003 0.000 3.403 413 T HA -0.003 4.352 4.350 0.008 0.000 0.308 413 T C 0.545 175.291 174.700 0.076 0.000 0.952 413 T CA -0.437 61.699 62.100 0.060 0.000 0.970 413 T CB 0.110 68.990 68.868 0.021 0.000 1.189 413 T HN 0.653 nan 8.240 nan 0.000 0.528 414 D N 1.802 122.248 120.400 0.076 0.000 2.347 414 D HA -0.003 4.642 4.640 0.008 0.000 0.213 414 D C 0.881 177.269 176.300 0.147 0.000 0.985 414 D CA 0.591 54.641 54.000 0.083 0.000 0.879 414 D CB 0.004 40.823 40.800 0.032 0.000 0.919 414 D HN 0.602 nan 8.370 nan 0.000 0.526 415 T N -4.239 110.462 114.554 0.244 0.000 2.901 415 T HA 0.423 4.778 4.350 0.008 0.000 0.293 415 T C -2.445 172.355 174.700 0.167 0.000 1.084 415 T CA -1.707 60.531 62.100 0.231 0.000 1.008 415 T CB 2.394 71.449 68.868 0.312 0.000 1.170 415 T HN -0.422 nan 8.240 nan 0.000 0.509 416 P HA -0.008 nan 4.420 nan 0.000 0.216 416 P C 1.204 178.350 177.300 -0.256 0.000 1.150 416 P CA 0.572 63.746 63.100 0.123 0.000 0.837 416 P CB -0.108 31.809 31.700 0.363 0.000 0.786 417 F N -0.832 118.724 119.950 -0.657 0.000 2.026 417 F HA -0.191 4.341 4.527 0.008 0.000 0.296 417 F C 1.867 177.218 175.800 -0.747 0.000 1.133 417 F CA 1.536 58.798 58.000 -1.229 0.000 1.188 417 F CB -1.193 37.279 39.000 -0.881 0.000 0.968 417 F HN -0.126 nan 8.300 nan 0.000 0.476 418 W N 0.841 121.968 121.300 -0.289 0.000 2.342 418 W HA -0.116 4.549 4.660 0.008 0.000 0.297 418 W C 2.661 179.007 176.519 -0.288 0.000 1.213 418 W CA 1.518 58.689 57.345 -0.290 0.000 1.251 418 W CB -0.506 28.942 29.460 -0.020 0.000 1.136 418 W HN -0.079 nan 8.180 nan 0.000 0.526 419 R N -0.081 120.397 120.500 -0.037 0.000 2.075 419 R HA -0.071 4.274 4.340 0.008 0.000 0.232 419 R C 2.384 178.602 176.300 -0.136 0.000 1.126 419 R CA 1.377 57.446 56.100 -0.052 0.000 0.963 419 R CB -0.982 29.319 30.300 0.002 0.000 0.858 419 R HN 0.169 nan 8.270 nan 0.000 0.435 420 A N 1.768 124.448 122.820 -0.234 0.000 1.902 420 A HA -0.189 4.136 4.320 0.008 0.000 0.217 420 A C 1.802 179.254 177.584 -0.221 0.000 1.181 420 A CA 1.385 53.319 52.037 -0.172 0.000 0.623 420 A CB -0.533 18.391 19.000 -0.127 0.000 0.818 420 A HN 0.272 nan 8.150 nan 0.000 0.443 421 N N 0.142 118.599 118.700 -0.404 0.000 2.137 421 N HA -0.163 4.582 4.740 0.008 0.000 0.190 421 N C 1.429 176.841 175.510 -0.163 0.000 1.017 421 N CA 1.568 54.435 53.050 -0.304 0.000 0.859 421 N CB -0.253 37.998 38.487 -0.393 0.000 1.002 421 N HN 0.605 nan 8.380 nan 0.000 0.428 422 K N 0.544 120.805 120.400 -0.231 0.000 2.432 422 K HA 0.010 4.335 4.320 0.008 0.000 0.196 422 K C 0.968 177.445 176.600 -0.204 0.000 1.038 422 K CA 0.526 56.586 56.287 -0.378 0.000 0.986 422 K CB 0.249 32.550 32.500 -0.331 0.000 0.782 422 K HN 0.085 nan 8.250 nan 0.000 0.485 423 E N 0.614 120.761 120.200 -0.088 0.000 2.478 423 E HA 0.088 4.443 4.350 0.008 0.000 0.194 423 E C 0.604 177.222 176.600 0.030 0.000 1.045 423 E CA 0.223 56.611 56.400 -0.019 0.000 0.868 423 E CB 0.159 29.853 29.700 -0.010 0.000 0.885 423 E HN 0.269 nan 8.360 nan 0.000 0.505 424 L N 0.765 122.022 121.223 0.057 0.000 2.456 424 L HA 0.283 4.628 4.340 0.008 0.000 0.257 424 L C 0.805 177.757 176.870 0.138 0.000 1.162 424 L CA -0.336 54.544 54.840 0.066 0.000 0.808 424 L CB 0.662 42.754 42.059 0.054 0.000 1.136 424 L HN -0.260 nan 8.230 nan 0.000 0.466 425 R N 0.863 121.392 120.500 0.048 0.000 2.532 425 R HA 0.554 4.899 4.340 0.008 0.000 0.295 425 R C -0.911 175.407 176.300 0.029 0.000 0.968 425 R CA -0.815 55.309 56.100 0.040 0.000 0.916 425 R CB 1.510 31.824 30.300 0.023 0.000 1.124 425 R HN 0.438 nan 8.270 nan 0.000 0.463 426 L N 2.006 123.162 121.223 -0.112 0.000 2.418 426 L HA 0.340 4.685 4.340 0.008 0.000 0.265 426 L C 0.728 177.616 176.870 0.029 0.000 1.143 426 L CA -0.463 54.305 54.840 -0.121 0.000 0.809 426 L CB 1.045 42.899 42.059 -0.342 0.000 1.124 426 L HN 0.681 nan 8.230 nan 0.000 0.456 427 A N 1.175 123.989 122.820 -0.009 0.000 2.425 427 A HA 0.046 4.371 4.320 0.008 0.000 0.242 427 A C 0.800 178.370 177.584 -0.022 0.000 1.077 427 A CA -0.381 51.650 52.037 -0.011 0.000 0.781 427 A CB 0.137 19.031 19.000 -0.178 0.000 1.020 427 A HN 0.862 nan 8.150 nan 0.000 0.494 428 D N 1.941 122.342 120.400 0.000 0.000 2.133 428 D HA -0.150 4.495 4.640 0.008 0.000 0.195 428 D C 2.033 178.320 176.300 -0.021 0.000 0.997 428 D CA 2.057 56.054 54.000 -0.006 0.000 0.840 428 D CB -0.593 40.209 40.800 0.005 0.000 0.947 428 D HN 0.718 nan 8.370 nan 0.000 0.452 429 G N 0.405 109.190 108.800 -0.025 0.000 2.432 429 G HA2 -0.271 3.694 3.960 0.008 0.000 0.219 429 G HA3 -0.271 3.694 3.960 0.008 0.000 0.219 429 G C 1.564 176.437 174.900 -0.044 0.000 1.135 429 G CA 0.954 46.037 45.100 -0.028 0.000 0.767 429 G HN 0.156 nan 8.290 nan 0.000 0.550 430 M N 0.014 119.582 119.600 -0.054 0.000 2.156 430 M HA 0.104 4.589 4.480 0.008 0.000 0.264 430 M C 2.417 178.680 176.300 -0.062 0.000 1.067 430 M CA 1.485 56.749 55.300 -0.060 0.000 1.131 430 M CB -0.404 32.152 32.600 -0.072 0.000 1.368 430 M HN 0.243 nan 8.290 nan 0.000 0.416 431 Q N 0.418 120.185 119.800 -0.055 0.000 2.124 431 Q HA -0.224 4.121 4.340 0.008 0.000 0.202 431 Q C 1.926 177.907 176.000 -0.032 0.000 0.977 431 Q CA 2.333 58.115 55.803 -0.036 0.000 0.850 431 Q CB -0.384 28.338 28.738 -0.027 0.000 0.901 431 Q HN 0.733 nan 8.270 nan 0.000 0.429 432 E N -0.326 119.851 120.200 -0.039 0.000 2.106 432 E HA -0.198 4.157 4.350 0.008 0.000 0.192 432 E C 1.619 178.179 176.600 -0.066 0.000 0.984 432 E CA 1.074 57.450 56.400 -0.041 0.000 0.806 432 E CB 0.031 29.711 29.700 -0.034 0.000 0.750 432 E HN 0.309 nan 8.360 nan 0.000 0.458 433 K N 0.202 120.541 120.400 -0.103 0.000 2.057 433 K HA -0.117 4.208 4.320 0.008 0.000 0.207 433 K C 2.095 178.600 176.600 -0.158 0.000 1.049 433 K CA 1.174 57.353 56.287 -0.180 0.000 0.931 433 K CB -0.034 32.285 32.500 -0.302 0.000 0.714 433 K HN 0.226 nan 8.250 nan 0.000 0.440 434 I N 1.961 122.461 120.570 -0.116 0.000 2.315 434 I HA -0.229 3.946 4.170 0.008 0.000 0.248 434 I C 1.607 177.706 176.117 -0.030 0.000 1.117 434 I CA 1.490 62.738 61.300 -0.087 0.000 1.404 434 I CB -1.023 36.974 38.000 -0.005 0.000 1.071 434 I HN 0.157 nan 8.210 nan 0.000 0.419 435 D N 0.642 121.025 120.400 -0.028 0.000 2.104 435 D HA -0.183 4.462 4.640 0.008 0.000 0.194 435 D C 2.368 178.643 176.300 -0.042 0.000 0.994 435 D CA 1.290 55.275 54.000 -0.025 0.000 0.830 435 D CB -0.172 40.616 40.800 -0.020 0.000 0.959 435 D HN 0.270 nan 8.370 nan 0.000 0.452 436 M N -0.675 118.897 119.600 -0.046 0.000 2.086 436 M HA -0.195 4.290 4.480 0.008 0.000 0.261 436 M C 2.188 178.453 176.300 -0.058 0.000 1.067 436 M CA 1.189 56.460 55.300 -0.047 0.000 1.116 436 M CB -0.369 32.204 32.600 -0.046 0.000 1.348 436 M HN 0.044 nan 8.290 nan 0.000 0.407 437 Y N 1.157 121.327 120.300 -0.218 0.000 2.128 437 Y HA -0.256 4.298 4.550 0.008 0.000 0.284 437 Y C 2.361 178.078 175.900 -0.306 0.000 1.154 437 Y CA 1.825 59.744 58.100 -0.302 0.000 1.149 437 Y CB -0.245 37.966 38.460 -0.415 0.000 0.976 437 Y HN 0.058 nan 8.280 nan 0.000 0.505 438 R N -0.271 120.096 120.500 -0.222 0.000 2.152 438 R HA -0.089 4.256 4.340 0.008 0.000 0.232 438 R C 2.111 178.256 176.300 -0.258 0.000 1.117 438 R CA 0.916 56.847 56.100 -0.281 0.000 0.981 438 R CB -0.491 29.734 30.300 -0.124 0.000 0.870 438 R HN 0.404 nan 8.270 nan 0.000 0.451 439 A N 0.008 122.716 122.820 -0.187 0.000 2.238 439 A HA 0.203 4.529 4.320 0.008 0.000 0.208 439 A C 1.384 178.869 177.584 -0.165 0.000 1.177 439 A CA 0.779 52.733 52.037 -0.139 0.000 0.804 439 A CB -0.110 18.841 19.000 -0.081 0.000 0.823 439 A HN 0.455 nan 8.150 nan 0.000 0.482 440 G N -1.635 107.000 108.800 -0.276 0.000 2.176 440 G HA2 -0.266 3.699 3.960 0.008 0.000 0.253 440 G HA3 -0.266 3.699 3.960 0.008 0.000 0.253 440 G C 0.221 175.003 174.900 -0.197 0.000 0.979 440 G CA 0.436 45.359 45.100 -0.295 0.000 0.641 440 G HN 0.430 nan 8.290 nan 0.000 0.530 441 M N 0.907 120.457 119.600 -0.083 0.000 2.255 441 M HA 0.596 5.081 4.480 0.008 0.000 0.336 441 M C 0.985 177.404 176.300 0.200 0.000 1.135 441 M CA 0.159 55.514 55.300 0.092 0.000 1.145 441 M CB 1.147 33.774 32.600 0.045 0.000 1.473 441 M HN 0.414 nan 8.290 nan 0.000 0.462 442 A N 2.579 125.623 122.820 0.374 0.000 2.332 442 A HA 0.623 4.948 4.320 0.008 0.000 0.258 442 A C -0.380 177.312 177.584 0.180 0.000 1.087 442 A CA -0.422 51.843 52.037 0.380 0.000 0.802 442 A CB 0.153 19.314 19.000 0.269 0.000 1.042 442 A HN 0.813 nan 8.150 nan 0.000 0.489 443 I N 1.647 122.303 120.570 0.143 0.000 2.355 443 I HA 0.206 4.381 4.170 0.008 0.000 0.288 443 I C -0.417 175.727 176.117 0.045 0.000 0.999 443 I CA -0.513 60.757 61.300 -0.050 0.000 1.163 443 I CB 1.040 38.788 38.000 -0.420 0.000 1.316 443 I HN 0.723 nan 8.210 nan 0.000 0.454 444 N N 4.102 122.831 118.700 0.048 0.000 2.705 444 N HA -0.185 4.560 4.740 0.008 0.000 0.255 444 N C -0.040 175.548 175.510 0.130 0.000 1.008 444 N CA 0.826 53.941 53.050 0.108 0.000 0.742 444 N CB -0.842 37.753 38.487 0.180 0.000 0.906 444 N HN 0.773 nan 8.380 nan 0.000 0.541 445 A N 0.593 123.488 122.820 0.125 0.000 2.531 445 A HA 0.327 4.652 4.320 0.008 0.000 0.236 445 A C -1.298 176.371 177.584 0.141 0.000 1.062 445 A CA -0.578 51.541 52.037 0.137 0.000 0.760 445 A CB 0.121 19.235 19.000 0.190 0.000 0.995 445 A HN 0.236 nan 8.150 nan 0.000 0.501 446 P HA 0.178 nan 4.420 nan 0.000 0.271 446 P C 0.667 178.081 177.300 0.189 0.000 1.218 446 P CA 0.449 63.603 63.100 0.091 0.000 0.780 446 P CB 1.158 32.814 31.700 -0.073 0.000 0.901 447 A N 2.488 125.383 122.820 0.125 0.000 1.933 447 A HA -0.045 4.280 4.320 0.008 0.000 0.218 447 A C 1.313 178.931 177.584 0.056 0.000 1.175 447 A CA 1.645 53.726 52.037 0.074 0.000 0.628 447 A CB -0.583 18.453 19.000 0.061 0.000 0.814 447 A HN 0.658 nan 8.150 nan 0.000 0.444 448 S N -1.228 114.542 115.700 0.117 0.000 2.569 448 S HA 0.428 4.903 4.470 0.008 0.000 0.280 448 S C -0.480 174.222 174.600 0.169 0.000 1.111 448 S CA 0.005 58.276 58.200 0.118 0.000 0.887 448 S CB 1.547 64.787 63.200 0.067 0.000 1.095 448 S HN 0.347 nan 8.310 nan 0.000 0.476 449 D N 1.134 121.661 120.400 0.212 0.000 2.325 449 D HA 0.110 4.755 4.640 0.008 0.000 0.225 449 D C -0.085 176.217 176.300 0.005 0.000 1.096 449 D CA -0.156 53.887 54.000 0.072 0.000 0.844 449 D CB -0.089 40.758 40.800 0.079 0.000 0.925 449 D HN 0.380 nan 8.370 nan 0.000 0.513 450 D N 0.656 121.076 120.400 0.032 0.000 2.352 450 D HA 0.261 4.906 4.640 0.008 0.000 0.245 450 D C 1.081 177.400 176.300 0.031 0.000 1.224 450 D CA -0.165 53.855 54.000 0.034 0.000 0.879 450 D CB 1.345 42.176 40.800 0.052 0.000 1.057 450 D HN 0.116 nan 8.370 nan 0.000 0.491 451 A N 4.051 126.887 122.820 0.028 0.000 1.969 451 A HA -0.188 4.137 4.320 0.008 0.000 0.218 451 A C 1.954 179.640 177.584 0.170 0.000 1.169 451 A CA 1.175 53.244 52.037 0.054 0.000 0.635 451 A CB -0.319 18.764 19.000 0.139 0.000 0.810 451 A HN 0.690 nan 8.150 nan 0.000 0.445 452 Q N -0.407 119.483 119.800 0.150 0.000 2.124 452 Q HA -0.113 4.232 4.340 0.008 0.000 0.202 452 Q C 1.933 178.024 176.000 0.151 0.000 0.977 452 Q CA 1.419 57.318 55.803 0.160 0.000 0.850 452 Q CB -0.224 28.582 28.738 0.112 0.000 0.901 452 Q HN 0.719 nan 8.270 nan 0.000 0.429 453 L N -0.839 120.458 121.223 0.123 0.000 2.005 453 L HA -0.191 4.154 4.340 0.008 0.000 0.207 453 L C 2.283 179.229 176.870 0.127 0.000 1.072 453 L CA 1.291 56.200 54.840 0.114 0.000 0.744 453 L CB -0.753 41.364 42.059 0.098 0.000 0.895 453 L HN 0.319 nan 8.230 nan 0.000 0.433 454 Y N 0.390 120.658 120.300 -0.053 0.000 2.014 454 Y HA -0.355 4.199 4.550 0.007 0.000 0.272 454 Y C 2.474 178.308 175.900 -0.110 0.000 1.164 454 Y CA 1.915 59.918 58.100 -0.163 0.000 1.114 454 Y CB -0.631 37.600 38.460 -0.382 0.000 0.961 454 Y HN 0.048 nan 8.280 nan 0.000 0.489 455 Y N -0.623 119.769 120.300 0.153 0.000 2.571 455 Y HA 0.090 4.644 4.550 0.007 0.000 0.294 455 Y C 2.382 178.330 175.900 0.079 0.000 1.141 455 Y CA 0.783 58.920 58.100 0.062 0.000 1.308 455 Y CB -0.760 37.754 38.460 0.091 0.000 1.002 455 Y HN 0.236 nan 8.280 nan 0.000 0.551 456 G N -1.006 107.922 108.800 0.213 0.000 2.986 456 G HA2 -0.085 3.881 3.960 0.008 0.000 0.213 456 G HA3 -0.085 3.881 3.960 0.008 0.000 0.213 456 G C 0.251 175.243 174.900 0.153 0.000 1.156 456 G CA -0.005 45.200 45.100 0.175 0.000 0.763 456 G HN 0.133 nan 8.290 nan 0.000 0.547 457 N N -0.218 118.556 118.700 0.124 0.000 2.623 457 N HA 0.190 4.935 4.740 0.008 0.000 0.256 457 N C 0.098 175.668 175.510 0.099 0.000 1.045 457 N CA -1.001 52.121 53.050 0.120 0.000 0.863 457 N CB 0.909 39.450 38.487 0.090 0.000 1.182 457 N HN -0.087 nan 8.380 nan 0.000 0.523 458 F N 2.772 122.710 119.950 -0.020 0.000 2.154 458 F HA -0.151 4.381 4.527 0.007 0.000 0.301 458 F C 2.023 177.769 175.800 -0.089 0.000 1.087 458 F CA 1.643 59.579 58.000 -0.107 0.000 1.274 458 F CB 0.282 39.094 39.000 -0.314 0.000 1.009 458 F HN 0.566 nan 8.300 nan 0.000 0.485 459 E N 0.488 120.700 120.200 0.019 0.000 2.085 459 E HA -0.252 4.104 4.350 0.008 0.000 0.194 459 E C 2.104 178.700 176.600 -0.006 0.000 0.994 459 E CA 1.629 58.051 56.400 0.038 0.000 0.801 459 E CB -0.343 29.453 29.700 0.161 0.000 0.743 459 E HN 0.475 nan 8.360 nan 0.000 0.453 460 E N 0.551 120.742 120.200 -0.014 0.000 2.058 460 E HA -0.225 4.131 4.350 0.008 0.000 0.194 460 E C 2.023 178.547 176.600 -0.127 0.000 0.997 460 E CA 1.838 58.226 56.400 -0.019 0.000 0.801 460 E CB -0.252 29.454 29.700 0.010 0.000 0.746 460 E HN 0.414 nan 8.360 nan 0.000 0.450 461 E N -1.103 118.885 120.200 -0.354 0.000 2.072 461 E HA -0.184 4.171 4.350 0.008 0.000 0.191 461 E C 1.932 178.348 176.600 -0.307 0.000 0.985 461 E CA 0.960 56.984 56.400 -0.627 0.000 0.801 461 E CB -0.359 28.837 29.700 -0.840 0.000 0.750 461 E HN 0.372 nan 8.360 nan 0.000 0.452 462 F N 1.642 121.269 119.950 -0.538 0.000 2.161 462 F HA -0.128 4.403 4.527 0.008 0.000 0.300 462 F C 2.088 177.795 175.800 -0.154 0.000 1.089 462 F CA 1.508 59.243 58.000 -0.442 0.000 1.282 462 F CB 0.103 38.689 39.000 -0.690 0.000 1.010 462 F HN -0.082 nan 8.300 nan 0.000 0.485 463 R N -0.493 120.009 120.500 0.003 0.000 2.276 463 R HA -0.034 4.311 4.340 0.008 0.000 0.203 463 R C 0.657 176.959 176.300 0.003 0.000 1.017 463 R CA 1.054 57.169 56.100 0.025 0.000 1.010 463 R CB -0.405 29.948 30.300 0.087 0.000 0.900 463 R HN 0.338 nan 8.270 nan 0.000 0.469 464 N N -0.143 118.560 118.700 0.005 0.000 2.628 464 N HA -0.009 4.736 4.740 0.008 0.000 0.299 464 N C -0.023 175.528 175.510 0.068 0.000 1.834 464 N CA -0.116 52.984 53.050 0.083 0.000 0.871 464 N CB 0.267 38.856 38.487 0.171 0.000 1.377 464 N HN -0.047 nan 8.380 nan 0.000 0.493 465 F N 0.862 120.659 119.950 -0.255 0.000 2.095 465 F HA 0.033 4.565 4.527 0.008 0.000 0.298 465 F C -0.001 175.507 175.800 -0.487 0.000 1.104 465 F CA 1.461 59.173 58.000 -0.479 0.000 1.232 465 F CB 0.113 38.652 39.000 -0.769 0.000 0.987 465 F HN 0.184 nan 8.300 nan 0.000 0.475 466 W N 2.234 123.413 121.300 -0.203 0.000 2.288 466 W HA 0.259 4.925 4.660 0.009 0.000 0.325 466 W C -0.182 176.232 176.519 -0.175 0.000 1.019 466 W CA -1.026 56.037 57.345 -0.471 0.000 1.403 466 W CB 0.067 29.130 29.460 -0.661 0.000 1.226 466 W HN 0.023 nan 8.180 nan 0.000 0.391 467 N N 0.238 118.954 118.700 0.027 0.000 2.502 467 N HA 0.231 4.976 4.740 0.008 0.000 0.280 467 N C 0.858 176.507 175.510 0.232 0.000 1.223 467 N CA -0.623 52.504 53.050 0.129 0.000 0.966 467 N CB 0.574 39.052 38.487 -0.015 0.000 1.203 467 N HN 0.284 nan 8.380 nan 0.000 0.565 468 N N -0.230 118.615 118.700 0.243 0.000 2.133 468 N HA -0.256 4.489 4.740 0.008 0.000 0.193 468 N C 0.806 176.497 175.510 0.301 0.000 1.012 468 N CA 2.088 55.322 53.050 0.306 0.000 0.871 468 N CB -0.210 38.407 38.487 0.217 0.000 1.011 468 N HN 0.560 nan 8.380 nan 0.000 0.435 469 S N -0.159 115.648 115.700 0.179 0.000 2.359 469 S HA -0.127 4.348 4.470 0.008 0.000 0.224 469 S C 1.573 176.347 174.600 0.290 0.000 1.035 469 S CA 1.588 59.943 58.200 0.258 0.000 1.018 469 S CB -0.700 62.608 63.200 0.180 0.000 0.876 469 S HN 0.573 nan 8.310 nan 0.000 0.448 470 N N 0.378 119.174 118.700 0.161 0.000 2.084 470 N HA -0.094 4.651 4.740 0.008 0.000 0.190 470 N C 1.532 176.956 175.510 -0.143 0.000 1.030 470 N CA 1.433 54.506 53.050 0.038 0.000 0.849 470 N CB -0.378 38.077 38.487 -0.052 0.000 1.012 470 N HN 0.342 nan 8.380 nan 0.000 0.423 471 Y N -0.217 120.055 120.300 -0.047 0.000 2.181 471 Y HA -0.185 4.370 4.550 0.008 0.000 0.288 471 Y C 1.915 177.607 175.900 -0.346 0.000 1.146 471 Y CA 1.150 59.169 58.100 -0.134 0.000 1.164 471 Y CB -0.566 37.785 38.460 -0.182 0.000 0.982 471 Y HN 0.138 nan 8.280 nan 0.000 0.515 472 Y N -1.705 118.498 120.300 -0.162 0.000 2.200 472 Y HA -0.247 4.308 4.550 0.009 0.000 0.290 472 Y C 2.674 178.201 175.900 -0.622 0.000 1.137 472 Y CA 1.212 59.021 58.100 -0.486 0.000 1.163 472 Y CB -0.762 37.296 38.460 -0.669 0.000 0.988 472 Y HN 0.115 nan 8.280 nan 0.000 0.518 473 C N -1.121 118.142 119.300 -0.063 0.000 2.398 473 C HA -0.194 4.271 4.460 0.008 0.000 0.276 473 C C 2.762 177.537 174.990 -0.358 0.000 1.222 473 C CA 1.321 60.358 59.018 0.033 0.000 1.746 473 C CB -1.153 26.615 27.740 0.046 0.000 2.039 473 C HN 0.357 nan 8.230 nan 0.000 0.470 474 V N 0.389 119.968 119.914 -0.559 0.000 2.346 474 V HA -0.137 3.988 4.120 0.008 0.000 0.244 474 V C 2.264 177.839 176.094 -0.864 0.000 1.037 474 V CA 1.666 63.457 62.300 -0.848 0.000 1.029 474 V CB -0.582 30.543 31.823 -1.164 0.000 0.663 474 V HN 0.520 nan 8.190 nan 0.000 0.454 475 L N 0.206 120.971 121.223 -0.763 0.000 2.005 475 L HA -0.113 4.232 4.340 0.008 0.000 0.207 475 L C 2.773 179.253 176.870 -0.650 0.000 1.072 475 L CA 1.727 56.087 54.840 -0.800 0.000 0.744 475 L CB -0.909 40.443 42.059 -1.179 0.000 0.895 475 L HN 0.344 nan 8.230 nan 0.000 0.433 476 A N 0.421 122.886 122.820 -0.592 0.000 1.902 476 A HA -0.112 4.213 4.320 0.008 0.000 0.217 476 A C 2.401 179.721 177.584 -0.441 0.000 1.181 476 A CA 1.658 53.474 52.037 -0.369 0.000 0.623 476 A CB -1.311 17.453 19.000 -0.394 0.000 0.818 476 A HN 0.457 nan 8.150 nan 0.000 0.443 477 G N -0.060 108.293 108.800 -0.744 0.000 2.469 477 G HA2 -0.215 3.750 3.960 0.008 0.000 0.219 477 G HA3 -0.215 3.750 3.960 0.008 0.000 0.219 477 G C 1.482 175.575 174.900 -1.345 0.000 1.150 477 G CA 1.147 45.428 45.100 -1.365 0.000 0.763 477 G HN 0.454 nan 8.290 nan 0.000 0.561 478 L N -0.072 120.534 121.223 -1.028 0.000 2.395 478 L HA 0.222 4.567 4.340 0.008 0.000 0.218 478 L C 2.230 178.956 176.870 -0.241 0.000 1.130 478 L CA 0.744 55.294 54.840 -0.483 0.000 0.826 478 L CB 0.078 41.937 42.059 -0.334 0.000 0.941 478 L HN 0.475 nan 8.230 nan 0.000 0.451 479 G N -0.169 108.481 108.800 -0.250 0.000 2.229 479 G HA2 -0.217 3.748 3.960 0.008 0.000 0.189 479 G HA3 -0.217 3.748 3.960 0.008 0.000 0.189 479 G C -0.159 174.691 174.900 -0.083 0.000 1.000 479 G CA -0.294 44.746 45.100 -0.100 0.000 0.663 479 G HN 0.084 nan 8.290 nan 0.000 0.493 480 L N 2.594 123.709 121.223 -0.180 0.000 2.315 480 L HA 0.698 5.044 4.340 0.008 0.000 0.283 480 L C 0.536 177.354 176.870 -0.087 0.000 1.089 480 L CA -0.559 54.166 54.840 -0.192 0.000 0.833 480 L CB 1.250 43.011 42.059 -0.497 0.000 1.170 480 L HN 0.742 nan 8.230 nan 0.000 0.442 481 V N 3.145 122.997 119.914 -0.103 0.000 3.074 481 V HA 0.779 4.904 4.120 0.008 0.000 0.314 481 V C -2.566 173.142 176.094 -0.643 0.000 1.117 481 V CA -2.403 59.677 62.300 -0.368 0.000 1.014 481 V CB 1.330 33.025 31.823 -0.213 0.000 1.057 481 V HN 0.638 nan 8.190 nan 0.000 0.438 482 P HA 0.198 nan 4.420 nan 0.000 0.269 482 P C -0.093 176.979 177.300 -0.380 0.000 1.217 482 P CA 0.082 62.630 63.100 -0.919 0.000 0.783 482 P CB 0.406 31.450 31.700 -1.093 0.000 0.898 483 D N -0.030 120.242 120.400 -0.214 0.000 2.219 483 D HA 0.057 4.702 4.640 0.008 0.000 0.205 483 D C 0.667 176.956 176.300 -0.019 0.000 0.970 483 D CA 1.329 55.297 54.000 -0.053 0.000 0.851 483 D CB 0.095 40.862 40.800 -0.055 0.000 0.943 483 D HN 0.419 nan 8.370 nan 0.000 0.488 484 A N -0.444 122.302 122.820 -0.123 0.000 2.586 484 A HA 0.528 4.853 4.320 0.008 0.000 0.291 484 A C -2.828 174.630 177.584 -0.210 0.000 1.062 484 A CA -1.169 50.628 52.037 -0.400 0.000 0.666 484 A CB 0.781 19.582 19.000 -0.331 0.000 1.281 484 A HN -0.232 nan 8.150 nan 0.000 0.421 485 P HA 0.204 nan 4.420 nan 0.000 0.270 485 P C 0.101 177.330 177.300 -0.119 0.000 1.223 485 P CA 0.024 63.020 63.100 -0.173 0.000 0.785 485 P CB 0.568 32.082 31.700 -0.309 0.000 0.923 486 S N 2.764 118.428 115.700 -0.061 0.000 2.546 486 S HA 0.052 4.527 4.470 0.008 0.000 0.290 486 S C -1.083 173.495 174.600 -0.037 0.000 1.262 486 S CA -0.922 57.260 58.200 -0.030 0.000 1.083 486 S CB -0.472 62.765 63.200 0.062 0.000 0.859 486 S HN 0.299 nan 8.310 nan 0.000 0.495 487 P HA -0.155 nan 4.420 nan 0.000 0.222 487 P C 1.042 178.378 177.300 0.059 0.000 1.147 487 P CA 0.871 63.968 63.100 -0.006 0.000 0.790 487 P CB -0.083 31.623 31.700 0.010 0.000 0.780 488 R N -0.110 120.436 120.500 0.077 0.000 2.280 488 R HA 0.071 4.416 4.340 0.008 0.000 0.207 488 R C 2.108 178.465 176.300 0.095 0.000 1.043 488 R CA 0.497 56.682 56.100 0.142 0.000 1.006 488 R CB -1.209 29.136 30.300 0.075 0.000 0.885 488 R HN 0.202 nan 8.270 nan 0.000 0.467 489 L N 0.976 122.205 121.223 0.010 0.000 2.201 489 L HA 0.007 4.352 4.340 0.008 0.000 0.212 489 L C 2.624 179.481 176.870 -0.023 0.000 1.105 489 L CA 0.996 55.827 54.840 -0.015 0.000 0.775 489 L CB -0.389 41.629 42.059 -0.068 0.000 0.913 489 L HN 0.327 nan 8.230 nan 0.000 0.440 490 A N -1.324 121.433 122.820 -0.104 0.000 2.172 490 A HA -0.162 4.164 4.320 0.008 0.000 0.216 490 A C 1.658 179.066 177.584 -0.293 0.000 1.154 490 A CA 1.022 52.931 52.037 -0.212 0.000 0.701 490 A CB -0.552 18.262 19.000 -0.310 0.000 0.789 490 A HN 0.450 nan 8.150 nan 0.000 0.465 491 H N -1.691 117.383 119.070 0.007 0.000 2.520 491 H HA 0.332 4.893 4.556 0.008 0.000 0.284 491 H C -0.098 175.241 175.328 0.019 0.000 1.037 491 H CA 0.205 56.258 56.048 0.009 0.000 1.168 491 H CB 0.172 29.935 29.762 0.001 0.000 1.497 491 H HN 0.478 nan 8.280 nan 0.000 0.547 492 M N 1.618 121.278 119.600 0.101 0.000 3.200 492 M HA 0.176 4.661 4.480 0.008 0.000 0.335 492 M C -1.843 174.518 176.300 0.101 0.000 1.446 492 M CA -1.386 53.974 55.300 0.101 0.000 0.691 492 M CB 1.701 34.371 32.600 0.116 0.000 1.409 492 M HN -0.128 nan 8.290 nan 0.000 0.488 493 P HA -0.197 nan 4.420 nan 0.000 0.216 493 P C 0.894 178.243 177.300 0.081 0.000 1.150 493 P CA 1.624 64.763 63.100 0.066 0.000 0.843 493 P CB 0.288 32.012 31.700 0.040 0.000 0.787 494 Q N -0.351 119.494 119.800 0.075 0.000 2.123 494 Q HA -0.025 4.320 4.340 0.008 0.000 0.199 494 Q C 2.469 178.532 176.000 0.106 0.000 0.966 494 Q CA 1.667 57.513 55.803 0.071 0.000 0.845 494 Q CB -0.628 28.138 28.738 0.047 0.000 0.907 494 Q HN 0.220 nan 8.270 nan 0.000 0.439 495 A N 0.619 123.518 122.820 0.132 0.000 1.872 495 A HA -0.156 4.169 4.320 0.008 0.000 0.214 495 A C 2.270 180.057 177.584 0.339 0.000 1.187 495 A CA 1.742 53.901 52.037 0.203 0.000 0.614 495 A CB -1.018 18.097 19.000 0.192 0.000 0.826 495 A HN 0.498 nan 8.150 nan 0.000 0.442 496 T N -2.677 112.074 114.554 0.328 0.000 3.051 496 T HA -0.034 4.321 4.350 0.008 0.000 0.269 496 T C 1.512 176.322 174.700 0.183 0.000 1.127 496 T CA 1.331 63.630 62.100 0.332 0.000 1.107 496 T CB -0.012 69.015 68.868 0.265 0.000 0.898 496 T HN 0.534 nan 8.240 nan 0.000 0.517 497 E N 1.314 121.597 120.200 0.138 0.000 2.099 497 E HA -0.042 4.313 4.350 0.008 0.000 0.191 497 E C 2.457 179.095 176.600 0.064 0.000 0.962 497 E CA 0.986 57.437 56.400 0.086 0.000 0.826 497 E CB 0.078 29.818 29.700 0.067 0.000 0.788 497 E HN 0.696 nan 8.360 nan 0.000 0.461 498 S N 0.325 116.079 115.700 0.090 0.000 2.481 498 S HA -0.061 4.414 4.470 0.008 0.000 0.231 498 S C 1.981 176.518 174.600 -0.106 0.000 0.996 498 S CA 0.576 58.812 58.200 0.060 0.000 0.942 498 S CB 0.035 63.324 63.200 0.147 0.000 0.768 498 S HN 0.090 nan 8.310 nan 0.000 0.520 499 V N 2.174 121.942 119.914 -0.244 0.000 3.078 499 V HA -0.136 3.989 4.120 0.008 0.000 0.265 499 V C 2.162 178.097 176.094 -0.264 0.000 1.122 499 V CA 1.810 63.672 62.300 -0.730 0.000 1.141 499 V CB -0.783 30.556 31.823 -0.806 0.000 0.735 499 V HN 0.454 nan 8.190 nan 0.000 0.498 500 D N 0.701 121.077 120.400 -0.040 0.000 2.133 500 D HA -0.228 4.417 4.640 0.008 0.000 0.195 500 D C 2.110 178.433 176.300 0.037 0.000 0.997 500 D CA 1.964 56.010 54.000 0.077 0.000 0.840 500 D CB -0.034 40.792 40.800 0.043 0.000 0.947 500 D HN 0.855 nan 8.370 nan 0.000 0.452 501 E N 0.001 120.169 120.200 -0.053 0.000 2.358 501 E HA -0.067 4.288 4.350 0.008 0.000 0.195 501 E C 2.199 178.730 176.600 -0.115 0.000 1.010 501 E CA 0.411 56.777 56.400 -0.057 0.000 0.856 501 E CB -0.064 29.605 29.700 -0.051 0.000 0.795 501 E HN 0.120 nan 8.360 nan 0.000 0.504 502 V N 0.652 120.413 119.914 -0.256 0.000 2.379 502 V HA -0.193 3.933 4.120 0.008 0.000 0.245 502 V C 1.898 177.809 176.094 -0.305 0.000 1.044 502 V CA 1.491 63.572 62.300 -0.365 0.000 1.036 502 V CB -0.637 30.790 31.823 -0.660 0.000 0.664 502 V HN 0.158 nan 8.190 nan 0.000 0.453 503 F N 1.499 121.371 119.950 -0.130 0.000 2.234 503 F HA 0.050 4.583 4.527 0.010 0.000 0.299 503 F C 2.373 178.146 175.800 -0.045 0.000 1.087 503 F CA 1.278 59.239 58.000 -0.065 0.000 1.340 503 F CB -1.159 37.826 39.000 -0.025 0.000 1.031 503 F HN 0.194 nan 8.300 nan 0.000 0.500 504 G N -0.616 108.256 108.800 0.119 0.000 2.422 504 G HA2 -0.115 3.850 3.960 0.008 0.000 0.218 504 G HA3 -0.115 3.850 3.960 0.008 0.000 0.218 504 G C 1.891 176.806 174.900 0.025 0.000 1.140 504 G CA 0.716 45.855 45.100 0.064 0.000 0.775 504 G HN 0.423 nan 8.290 nan 0.000 0.545 505 A N 0.253 123.065 122.820 -0.012 0.000 1.930 505 A HA 0.118 4.443 4.320 0.008 0.000 0.217 505 A C 2.561 180.132 177.584 -0.021 0.000 1.175 505 A CA 1.638 53.658 52.037 -0.028 0.000 0.627 505 A CB -0.495 18.468 19.000 -0.061 0.000 0.815 505 A HN 0.228 nan 8.150 nan 0.000 0.443 506 V N 0.399 120.301 119.914 -0.019 0.000 2.343 506 V HA -0.220 3.905 4.120 0.008 0.000 0.247 506 V C 2.503 178.612 176.094 0.025 0.000 1.051 506 V CA 2.029 64.324 62.300 -0.009 0.000 1.036 506 V CB -0.567 31.255 31.823 -0.001 0.000 0.654 506 V HN 0.409 nan 8.190 nan 0.000 0.451 507 K N 0.059 120.490 120.400 0.051 0.000 2.097 507 K HA -0.165 4.160 4.320 0.008 0.000 0.206 507 K C 1.859 178.481 176.600 0.036 0.000 1.049 507 K CA 1.512 57.833 56.287 0.056 0.000 0.933 507 K CB -0.543 31.997 32.500 0.066 0.000 0.717 507 K HN 0.492 nan 8.250 nan 0.000 0.442 508 D N 0.248 120.661 120.400 0.023 0.000 2.149 508 D HA -0.086 4.559 4.640 0.008 0.000 0.201 508 D C 2.054 178.359 176.300 0.009 0.000 0.972 508 D CA 0.846 54.854 54.000 0.014 0.000 0.835 508 D CB -0.051 40.753 40.800 0.007 0.000 0.966 508 D HN 0.155 nan 8.370 nan 0.000 0.476 509 R N 0.363 120.865 120.500 0.003 0.000 2.090 509 R HA -0.022 4.323 4.340 0.008 0.000 0.228 509 R C 2.376 178.677 176.300 0.002 0.000 1.110 509 R CA 0.781 56.879 56.100 -0.004 0.000 0.973 509 R CB -0.062 30.229 30.300 -0.014 0.000 0.869 509 R HN 0.260 nan 8.270 nan 0.000 0.440 510 Q N -0.003 119.804 119.800 0.012 0.000 2.061 510 Q HA -0.197 4.148 4.340 0.008 0.000 0.204 510 Q C 2.217 178.233 176.000 0.026 0.000 0.984 510 Q CA 1.560 57.377 55.803 0.022 0.000 0.846 510 Q CB -0.093 28.674 28.738 0.049 0.000 0.902 510 Q HN 0.233 nan 8.270 nan 0.000 0.421 511 R N 0.340 120.857 120.500 0.028 0.000 2.066 511 R HA -0.123 4.222 4.340 0.008 0.000 0.232 511 R C 1.752 178.063 176.300 0.018 0.000 1.131 511 R CA 1.473 57.589 56.100 0.027 0.000 0.955 511 R CB 0.021 30.336 30.300 0.026 0.000 0.851 511 R HN 0.251 nan 8.270 nan 0.000 0.432 512 N N 0.822 119.529 118.700 0.011 0.000 2.120 512 N HA -0.152 4.593 4.740 0.008 0.000 0.188 512 N C 1.886 177.397 175.510 0.001 0.000 1.024 512 N CA 1.213 54.266 53.050 0.006 0.000 0.852 512 N CB -0.277 38.211 38.487 0.002 0.000 1.003 512 N HN 0.251 nan 8.380 nan 0.000 0.424 513 L N 0.192 121.413 121.223 -0.003 0.000 2.093 513 L HA -0.095 4.250 4.340 0.008 0.000 0.208 513 L C 2.222 179.088 176.870 -0.006 0.000 1.085 513 L CA 0.475 55.307 54.840 -0.013 0.000 0.755 513 L CB -0.375 41.671 42.059 -0.022 0.000 0.904 513 L HN 0.130 nan 8.230 nan 0.000 0.435 514 L N 0.648 121.874 121.223 0.005 0.000 2.083 514 L HA -0.225 4.120 4.340 0.008 0.000 0.209 514 L C 2.516 179.396 176.870 0.017 0.000 1.083 514 L CA 1.949 56.798 54.840 0.016 0.000 0.752 514 L CB -0.516 41.561 42.059 0.031 0.000 0.899 514 L HN 0.433 nan 8.230 nan 0.000 0.433 515 E N -2.052 118.157 120.200 0.015 0.000 2.299 515 E HA -0.103 4.252 4.350 0.008 0.000 0.193 515 E C 1.482 178.088 176.600 0.011 0.000 0.998 515 E CA 1.157 57.566 56.400 0.015 0.000 0.851 515 E CB -0.385 29.324 29.700 0.015 0.000 0.795 515 E HN 0.617 nan 8.360 nan 0.000 0.492 516 T N -1.235 113.321 114.554 0.005 0.000 2.990 516 T HA 0.249 4.604 4.350 0.008 0.000 0.249 516 T C 0.887 175.584 174.700 -0.004 0.000 1.039 516 T CA -0.435 61.665 62.100 0.001 0.000 1.036 516 T CB -0.169 68.698 68.868 -0.003 0.000 0.994 516 T HN -0.030 nan 8.240 nan 0.000 0.489 517 L N 3.726 124.942 121.223 -0.012 0.000 2.426 517 L HA 0.370 4.715 4.340 0.008 0.000 0.271 517 L C -1.862 175.003 176.870 -0.008 0.000 1.169 517 L CA -2.099 52.725 54.840 -0.026 0.000 0.836 517 L CB 0.507 42.537 42.059 -0.048 0.000 1.112 517 L HN 0.148 nan 8.230 nan 0.000 0.465 518 P HA 0.128 nan 4.420 nan 0.000 0.276 518 P C -0.809 176.505 177.300 0.024 0.000 1.261 518 P CA -0.585 62.529 63.100 0.024 0.000 0.800 518 P CB 1.132 32.864 31.700 0.054 0.000 1.066 519 S N 0.330 116.062 115.700 0.053 0.000 2.603 519 S HA 0.055 4.530 4.470 0.008 0.000 0.268 519 S C 1.316 175.966 174.600 0.084 0.000 1.317 519 S CA -0.597 57.645 58.200 0.069 0.000 1.012 519 S CB 0.086 63.350 63.200 0.107 0.000 0.926 519 S HN 0.391 nan 8.310 nan 0.000 0.539 520 L N 1.206 122.477 121.223 0.079 0.000 2.012 520 L HA -0.097 4.249 4.340 0.008 0.000 0.210 520 L C 2.405 179.394 176.870 0.198 0.000 1.073 520 L CA 2.570 57.470 54.840 0.101 0.000 0.748 520 L CB -1.548 40.560 42.059 0.082 0.000 0.891 520 L HN 1.055 nan 8.230 nan 0.000 0.431 521 H N -0.164 118.964 119.070 0.097 0.000 2.319 521 H HA -0.174 4.387 4.556 0.009 0.000 0.299 521 H C 2.097 177.484 175.328 0.098 0.000 1.092 521 H CA 2.330 58.437 56.048 0.098 0.000 1.302 521 H CB -0.087 29.723 29.762 0.080 0.000 1.373 521 H HN 0.554 nan 8.280 nan 0.000 0.497 522 E N -0.926 119.253 120.200 -0.036 0.000 2.058 522 E HA -0.196 4.159 4.350 0.008 0.000 0.194 522 E C 1.974 178.546 176.600 -0.048 0.000 0.997 522 E CA 1.287 57.631 56.400 -0.094 0.000 0.801 522 E CB -0.325 29.384 29.700 0.015 0.000 0.746 522 E HN 0.472 nan 8.360 nan 0.000 0.450 523 F N 1.157 121.059 119.950 -0.081 0.000 2.146 523 F HA -0.130 4.402 4.527 0.008 0.000 0.298 523 F C 1.870 177.660 175.800 -0.016 0.000 1.096 523 F CA 1.152 59.112 58.000 -0.067 0.000 1.275 523 F CB -0.037 38.898 39.000 -0.109 0.000 1.008 523 F HN -0.081 nan 8.300 nan 0.000 0.480 524 L N -0.136 121.151 121.223 0.107 0.000 2.083 524 L HA -0.210 4.135 4.340 0.008 0.000 0.209 524 L C 2.680 179.524 176.870 -0.043 0.000 1.083 524 L CA 1.191 56.102 54.840 0.117 0.000 0.752 524 L CB -0.694 41.499 42.059 0.223 0.000 0.899 524 L HN 0.062 nan 8.230 nan 0.000 0.433 525 R N 0.177 120.580 120.500 -0.162 0.000 2.080 525 R HA -0.258 4.087 4.340 0.008 0.000 0.236 525 R C 2.361 178.568 176.300 -0.155 0.000 1.137 525 R CA 2.227 58.221 56.100 -0.175 0.000 0.943 525 R CB -0.484 29.656 30.300 -0.266 0.000 0.846 525 R HN 0.548 nan 8.270 nan 0.000 0.431 526 Q N 0.330 119.996 119.800 -0.223 0.000 2.079 526 Q HA -0.187 4.158 4.340 0.008 0.000 0.200 526 Q C 2.141 177.972 176.000 -0.281 0.000 0.974 526 Q CA 1.282 56.943 55.803 -0.238 0.000 0.840 526 Q CB -0.139 28.433 28.738 -0.276 0.000 0.898 526 Q HN 0.276 nan 8.270 nan 0.000 0.430 527 Q N 0.041 119.587 119.800 -0.423 0.000 1.965 527 Q HA -0.100 4.245 4.340 0.008 0.000 0.200 527 Q C 0.339 176.184 176.000 -0.258 0.000 0.981 527 Q CA 1.340 56.895 55.803 -0.412 0.000 0.834 527 Q CB -0.101 28.290 28.738 -0.579 0.000 0.900 527 Q HN 0.539 nan 8.270 nan 0.000 0.426 528 H N 0.000 118.982 119.070 -0.147 0.000 2.539 528 H HA 0.000 4.561 4.556 0.009 0.000 0.296 528 H CA 0.000 55.991 56.048 -0.094 0.000 1.023 528 H CB 0.000 29.728 29.762 -0.057 0.000 1.292 528 H HN 0.000 nan 8.280 nan 0.000 0.496