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 1k7q_1_A DATA FIRST_RESID 18 DATA SEQUENCE ANTSSAYNSV YDFLRYHDRG DGLTVNGKTS YSIDQAAAQI TRENVSWNGT DATA SEQUENCE NVFGKSANLT FKFLQSVSSI PSGDTGFVKF NAEQIEQAKL SLQSWSDVAN DATA SEQUENCE LTFTEVTGNK SANITFGNYT RDASGNLDYG TQAYAYYPGN YQGAGSSWYN DATA SEQUENCE YNQSNIRNPG SEEYGRQTFT HAIGHALGLA HPGEYNAGEG DPSYNDAVYA DATA SEQUENCE EDSYQFSIMS YWGENETGAD YNGHYGGAPM IDDIAAIQRL YGANMTTRTG DATA SEQUENCE DSVYGFNSNT DRDFYTATDS SKALIFSVWD AGGTDTFDFS GYSNNQRINL DATA SEQUENCE NEGSFSDVGG LKGNVSIAHG VTIENAIGGS GNDILVGNSA DNILQGGAGN DATA SEQUENCE DVLYGGAGAD TLYGGAGRDT FVYGSGQDST VAAYDWIADF QKGIDKIDLS DATA SEQUENCE AFRNEGQLSF VQDQFTGKGQ EVMLQWDAAN SITNLWLHEA GHSSVDFLVR DATA SEQUENCE IVGQAAQSDI IV 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.566 177.584 -0.030 0.000 1.274 18 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 18 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 19 N N 2.595 121.286 118.700 -0.016 0.000 2.448 19 N HA 0.225 4.964 4.740 -0.001 0.000 0.250 19 N C 0.372 175.884 175.510 0.003 0.000 1.136 19 N CA 0.978 54.026 53.050 -0.004 0.000 0.953 19 N CB 0.809 39.299 38.487 0.006 0.000 1.251 19 N HN 0.670 nan 8.380 nan 0.000 0.502 20 T N -0.155 114.406 114.554 0.012 0.000 2.874 20 T HA 0.331 4.680 4.350 -0.001 0.000 0.281 20 T C 0.928 175.683 174.700 0.091 0.000 0.994 20 T CA -0.883 61.240 62.100 0.038 0.000 1.015 20 T CB 0.812 69.727 68.868 0.078 0.000 1.028 20 T HN 0.396 nan 8.240 nan 0.000 0.523 21 S N 0.722 116.496 115.700 0.124 0.000 2.596 21 S HA 0.149 4.618 4.470 -0.001 0.000 0.260 21 S C 1.641 176.320 174.600 0.131 0.000 1.336 21 S CA -0.200 58.075 58.200 0.125 0.000 0.993 21 S CB 0.442 63.727 63.200 0.142 0.000 0.923 21 S HN 1.059 nan 8.310 nan 0.000 0.567 22 S N 1.011 116.766 115.700 0.090 0.000 2.423 22 S HA -0.023 4.446 4.470 -0.001 0.000 0.231 22 S C 1.952 176.591 174.600 0.065 0.000 1.014 22 S CA 0.546 58.784 58.200 0.063 0.000 0.965 22 S CB -1.145 62.080 63.200 0.041 0.000 0.785 22 S HN 1.083 nan 8.310 nan 0.000 0.495 23 A N 1.032 123.908 122.820 0.093 0.000 1.873 23 A HA -0.002 4.318 4.320 -0.001 0.000 0.215 23 A C 2.073 179.721 177.584 0.107 0.000 1.186 23 A CA 1.462 53.553 52.037 0.090 0.000 0.616 23 A CB -1.242 17.827 19.000 0.115 0.000 0.823 23 A HN 0.638 nan 8.150 nan 0.000 0.442 24 Y N 1.559 121.893 120.300 0.057 0.000 2.200 24 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 24 Y C 2.099 178.028 175.900 0.049 0.000 1.137 24 Y CA 1.956 60.088 58.100 0.053 0.000 1.163 24 Y CB -0.279 38.216 38.460 0.059 0.000 0.988 24 Y HN 0.324 nan 8.280 nan 0.000 0.518 25 N N 0.042 118.731 118.700 -0.018 0.000 2.166 25 N HA -0.184 4.556 4.740 -0.001 0.000 0.186 25 N C 2.119 177.592 175.510 -0.062 0.000 1.019 25 N CA 1.645 54.652 53.050 -0.072 0.000 0.856 25 N CB -0.771 37.723 38.487 0.011 0.000 0.993 25 N HN 0.562 nan 8.380 nan 0.000 0.426 26 S N -0.143 115.529 115.700 -0.047 0.000 2.423 26 S HA -0.032 4.437 4.470 -0.001 0.000 0.231 26 S C 2.094 176.670 174.600 -0.040 0.000 1.014 26 S CA 0.787 58.964 58.200 -0.038 0.000 0.965 26 S CB -0.533 62.641 63.200 -0.044 0.000 0.785 26 S HN 0.038 nan 8.310 nan 0.000 0.495 27 V N 0.500 120.338 119.914 -0.127 0.000 2.346 27 V HA -0.045 4.074 4.120 -0.001 0.000 0.244 27 V C 2.185 178.132 176.094 -0.245 0.000 1.037 27 V CA 1.686 63.874 62.300 -0.187 0.000 1.029 27 V CB -1.035 30.554 31.823 -0.390 0.000 0.663 27 V HN 0.580 nan 8.190 nan 0.000 0.454 28 Y N 1.587 121.575 120.300 -0.519 0.000 2.114 28 Y HA -0.304 4.246 4.550 -0.001 0.000 0.282 28 Y C 2.401 178.194 175.900 -0.178 0.000 1.165 28 Y CA 2.309 60.154 58.100 -0.425 0.000 1.148 28 Y CB -0.217 37.945 38.460 -0.497 0.000 0.972 28 Y HN 0.333 nan 8.280 nan 0.000 0.504 29 D N -0.559 119.880 120.400 0.066 0.000 2.117 29 D HA -0.186 4.453 4.640 -0.001 0.000 0.198 29 D C 1.974 178.313 176.300 0.065 0.000 0.982 29 D CA 1.227 55.270 54.000 0.072 0.000 0.828 29 D CB -0.794 40.065 40.800 0.098 0.000 0.967 29 D HN 0.389 nan 8.370 nan 0.000 0.464 30 F N 1.539 121.426 119.950 -0.105 0.000 2.216 30 F HA -0.067 4.460 4.527 -0.001 0.000 0.300 30 F C 2.006 177.803 175.800 -0.005 0.000 1.085 30 F CA 0.773 58.716 58.000 -0.095 0.000 1.326 30 F CB -0.435 38.494 39.000 -0.117 0.000 1.027 30 F HN -0.115 nan 8.300 nan 0.000 0.497 31 L N -0.278 120.831 121.223 -0.189 0.000 2.275 31 L HA -0.130 4.209 4.340 -0.001 0.000 0.215 31 L C 1.854 178.622 176.870 -0.171 0.000 1.119 31 L CA 1.089 55.773 54.840 -0.260 0.000 0.790 31 L CB -0.356 41.548 42.059 -0.258 0.000 0.919 31 L HN 0.011 nan 8.230 nan 0.000 0.443 32 R N -1.719 118.709 120.500 -0.120 0.000 2.427 32 R HA 0.049 4.389 4.340 -0.001 0.000 0.262 32 R C -0.299 176.056 176.300 0.091 0.000 0.943 32 R CA -0.413 55.661 56.100 -0.044 0.000 1.081 32 R CB 0.177 30.414 30.300 -0.106 0.000 1.166 32 R HN 0.018 nan 8.270 nan 0.000 0.534 33 Y N 2.363 122.638 120.300 -0.041 0.000 2.729 33 Y HA -0.147 4.402 4.550 -0.001 0.000 0.331 33 Y C 0.494 176.465 175.900 0.118 0.000 1.208 33 Y CA 0.246 58.357 58.100 0.018 0.000 1.521 33 Y CB -0.215 38.306 38.460 0.101 0.000 1.233 33 Y HN 0.306 nan 8.280 nan 0.000 0.539 34 H N 3.119 122.163 119.070 -0.043 0.000 2.791 34 H HA -0.240 4.315 4.556 -0.001 0.000 0.302 34 H C -0.231 175.143 175.328 0.077 0.000 1.198 34 H CA 0.802 56.802 56.048 -0.080 0.000 1.145 34 H CB -1.095 28.490 29.762 -0.295 0.000 1.385 34 H HN 0.665 nan 8.280 nan 0.000 0.409 35 D N 1.144 121.628 120.400 0.140 0.000 2.449 35 D HA 0.162 4.802 4.640 -0.001 0.000 0.236 35 D C 1.289 177.669 176.300 0.134 0.000 1.149 35 D CA 0.496 54.572 54.000 0.127 0.000 0.878 35 D CB 0.711 41.556 40.800 0.074 0.000 1.198 35 D HN 0.558 nan 8.370 nan 0.000 0.446 36 R N 0.235 120.812 120.500 0.128 0.000 2.799 36 R HA 0.664 5.004 4.340 -0.001 0.000 0.270 36 R C 0.460 176.812 176.300 0.087 0.000 1.010 36 R CA -0.650 55.516 56.100 0.110 0.000 0.916 36 R CB 0.824 31.200 30.300 0.126 0.000 1.228 36 R HN 0.523 nan 8.270 nan 0.000 0.469 37 G N 1.143 109.994 108.800 0.085 0.000 2.552 37 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.265 37 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.265 37 G C -0.644 174.286 174.900 0.049 0.000 1.234 37 G CA 0.546 45.684 45.100 0.064 0.000 0.944 37 G HN 1.027 nan 8.290 nan 0.000 0.568 38 D N -0.425 119.991 120.400 0.027 0.000 2.713 38 D HA 0.193 4.833 4.640 -0.001 0.000 0.231 38 D C 1.681 177.998 176.300 0.029 0.000 1.173 38 D CA 2.651 56.664 54.000 0.023 0.000 0.628 38 D CB -1.402 39.415 40.800 0.028 0.000 1.033 38 D HN 2.449 nan 8.370 nan 0.000 0.419 39 G N -1.267 107.552 108.800 0.032 0.000 2.198 39 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.260 39 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.260 39 G C 0.295 175.220 174.900 0.042 0.000 1.025 39 G CA 0.366 45.487 45.100 0.035 0.000 0.769 39 G HN 0.560 nan 8.290 nan 0.000 0.507 40 L N 0.136 121.390 121.223 0.051 0.000 2.439 40 L HA 0.732 5.071 4.340 -0.001 0.000 0.259 40 L C 0.980 177.882 176.870 0.053 0.000 1.129 40 L CA -0.118 54.752 54.840 0.051 0.000 0.803 40 L CB 1.521 43.613 42.059 0.055 0.000 1.161 40 L HN 0.348 nan 8.230 nan 0.000 0.462 41 T N -1.021 113.559 114.554 0.043 0.000 2.847 41 T HA 0.654 5.003 4.350 -0.001 0.000 0.291 41 T C -0.691 174.030 174.700 0.034 0.000 0.998 41 T CA -0.663 61.459 62.100 0.036 0.000 0.967 41 T CB 1.316 70.200 68.868 0.026 0.000 0.954 41 T HN 0.182 nan 8.240 nan 0.000 0.441 42 V N 3.838 123.773 119.914 0.035 0.000 2.540 42 V HA 0.467 4.587 4.120 -0.001 0.000 0.302 42 V C 0.158 176.278 176.094 0.044 0.000 1.035 42 V CA -1.062 61.263 62.300 0.042 0.000 0.873 42 V CB 1.322 33.178 31.823 0.055 0.000 0.992 42 V HN 1.041 nan 8.190 nan 0.000 0.428 43 N N 3.441 122.170 118.700 0.048 0.000 2.725 43 N HA -0.219 4.520 4.740 -0.001 0.000 0.249 43 N C 1.187 176.709 175.510 0.020 0.000 1.103 43 N CA 1.592 54.678 53.050 0.060 0.000 0.707 43 N CB -1.103 37.480 38.487 0.159 0.000 1.043 43 N HN 1.615 nan 8.380 nan 0.000 0.553 44 G N -1.451 107.352 108.800 0.005 0.000 2.168 44 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.263 44 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.263 44 G C 0.095 174.975 174.900 -0.032 0.000 0.977 44 G CA 1.160 46.252 45.100 -0.014 0.000 0.659 44 G HN 0.571 nan 8.290 nan 0.000 0.533 45 K N 0.026 120.404 120.400 -0.036 0.000 2.238 45 K HA 0.595 4.914 4.320 -0.001 0.000 0.239 45 K C 0.169 176.758 176.600 -0.018 0.000 0.987 45 K CA -0.595 55.656 56.287 -0.060 0.000 0.857 45 K CB 1.169 33.589 32.500 -0.134 0.000 1.154 45 K HN 0.048 nan 8.250 nan 0.000 0.439 46 T N 0.904 115.451 114.554 -0.011 0.000 2.916 46 T HA 0.015 4.365 4.350 -0.001 0.000 0.303 46 T C 0.147 174.888 174.700 0.069 0.000 1.025 46 T CA 0.057 62.187 62.100 0.050 0.000 1.142 46 T CB 0.787 69.715 68.868 0.100 0.000 0.947 46 T HN 0.407 nan 8.240 nan 0.000 0.544 47 S N 2.294 118.071 115.700 0.128 0.000 2.457 47 S HA 0.469 4.939 4.470 -0.001 0.000 0.289 47 S C -1.157 173.626 174.600 0.305 0.000 1.163 47 S CA -0.700 57.592 58.200 0.152 0.000 1.078 47 S CB 0.032 63.293 63.200 0.101 0.000 0.987 47 S HN 0.467 nan 8.310 nan 0.000 0.482 48 Y N 2.618 122.931 120.300 0.021 0.000 2.361 48 Y HA 0.418 4.968 4.550 -0.001 0.000 0.332 48 Y C 1.070 176.931 175.900 -0.065 0.000 1.101 48 Y CA -1.545 56.501 58.100 -0.091 0.000 1.137 48 Y CB 1.541 39.791 38.460 -0.350 0.000 1.207 48 Y HN 0.802 nan 8.280 nan 0.000 0.463 49 S N 1.739 117.455 115.700 0.028 0.000 2.634 49 S HA 0.297 4.766 4.470 -0.001 0.000 0.261 49 S C 1.343 175.959 174.600 0.026 0.000 1.271 49 S CA -0.536 57.675 58.200 0.017 0.000 0.985 49 S CB 0.490 63.664 63.200 -0.043 0.000 0.968 49 S HN 0.603 nan 8.310 nan 0.000 0.568 50 I N 0.705 121.307 120.570 0.053 0.000 2.163 50 I HA -0.196 3.974 4.170 -0.001 0.000 0.243 50 I C 1.893 178.021 176.117 0.018 0.000 1.085 50 I CA 1.637 62.990 61.300 0.088 0.000 1.347 50 I CB -0.520 37.537 38.000 0.096 0.000 1.044 50 I HN 0.618 nan 8.210 nan 0.000 0.408 51 D N 0.400 120.765 120.400 -0.058 0.000 2.178 51 D HA -0.175 4.464 4.640 -0.001 0.000 0.201 51 D C 2.264 178.486 176.300 -0.130 0.000 0.980 51 D CA 1.110 55.058 54.000 -0.088 0.000 0.842 51 D CB -0.223 40.505 40.800 -0.121 0.000 0.948 51 D HN 0.468 nan 8.370 nan 0.000 0.472 52 Q N 0.216 119.895 119.800 -0.202 0.000 2.119 52 Q HA 0.000 4.340 4.340 -0.001 0.000 0.201 52 Q C 2.204 178.027 176.000 -0.296 0.000 0.972 52 Q CA 1.212 56.783 55.803 -0.388 0.000 0.847 52 Q CB -0.040 28.269 28.738 -0.714 0.000 0.903 52 Q HN 0.206 nan 8.270 nan 0.000 0.433 53 A N 1.127 123.860 122.820 -0.146 0.000 1.930 53 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 53 A C 2.289 179.891 177.584 0.030 0.000 1.175 53 A CA 1.466 53.443 52.037 -0.100 0.000 0.627 53 A CB -0.691 18.355 19.000 0.077 0.000 0.815 53 A HN 0.381 nan 8.150 nan 0.000 0.443 54 A N -0.070 122.772 122.820 0.036 0.000 1.902 54 A HA 0.162 4.481 4.320 -0.001 0.000 0.217 54 A C 2.478 180.077 177.584 0.026 0.000 1.181 54 A CA 2.031 54.106 52.037 0.063 0.000 0.623 54 A CB -0.948 18.084 19.000 0.054 0.000 0.818 54 A HN 1.035 nan 8.150 nan 0.000 0.443 55 A N -1.019 121.779 122.820 -0.037 0.000 1.969 55 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 55 A C 2.134 179.707 177.584 -0.018 0.000 1.169 55 A CA 2.019 54.024 52.037 -0.052 0.000 0.635 55 A CB -0.423 18.504 19.000 -0.121 0.000 0.810 55 A HN 0.549 nan 8.150 nan 0.000 0.445 56 Q N 0.263 120.060 119.800 -0.004 0.000 2.079 56 Q HA -0.032 4.307 4.340 -0.001 0.000 0.200 56 Q C 1.678 177.730 176.000 0.086 0.000 0.974 56 Q CA 1.805 57.644 55.803 0.061 0.000 0.840 56 Q CB -0.475 28.330 28.738 0.112 0.000 0.898 56 Q HN 0.661 nan 8.270 nan 0.000 0.430 57 I N 0.250 120.886 120.570 0.110 0.000 2.493 57 I HA -0.177 3.993 4.170 -0.001 0.000 0.254 57 I C 1.374 177.523 176.117 0.053 0.000 1.160 57 I CA 1.572 62.943 61.300 0.119 0.000 1.445 57 I CB -0.298 37.801 38.000 0.165 0.000 1.086 57 I HN 0.334 nan 8.210 nan 0.000 0.433 58 T N -1.834 112.741 114.554 0.035 0.000 3.223 58 T HA 0.124 4.473 4.350 -0.001 0.000 0.259 58 T C 1.553 176.243 174.700 -0.016 0.000 1.015 58 T CA -0.567 61.533 62.100 -0.000 0.000 0.908 58 T CB -0.323 68.574 68.868 0.049 0.000 1.054 58 T HN 0.417 nan 8.240 nan 0.000 0.567 59 R N 1.144 121.631 120.500 -0.022 0.000 2.200 59 R HA -0.022 4.317 4.340 -0.001 0.000 0.234 59 R C 1.375 177.628 176.300 -0.078 0.000 1.127 59 R CA 1.054 57.136 56.100 -0.029 0.000 0.989 59 R CB -0.465 29.828 30.300 -0.013 0.000 0.869 59 R HN 0.262 nan 8.270 nan 0.000 0.459 60 E N 1.357 121.459 120.200 -0.164 0.000 2.418 60 E HA -0.067 4.282 4.350 -0.001 0.000 0.197 60 E C -0.111 176.353 176.600 -0.227 0.000 1.026 60 E CA 0.159 56.407 56.400 -0.254 0.000 0.862 60 E CB -0.310 29.071 29.700 -0.533 0.000 0.799 60 E HN 0.366 nan 8.360 nan 0.000 0.518 61 N N 0.409 119.009 118.700 -0.166 0.000 2.699 61 N HA -0.189 4.550 4.740 -0.001 0.000 0.256 61 N C -0.745 174.591 175.510 -0.290 0.000 0.993 61 N CA 0.685 53.636 53.050 -0.166 0.000 0.759 61 N CB -1.241 37.216 38.487 -0.049 0.000 0.906 61 N HN 0.065 nan 8.380 nan 0.000 0.541 62 V N -0.497 119.211 119.914 -0.343 0.000 2.841 62 V HA 0.829 4.948 4.120 -0.001 0.000 0.310 62 V C -0.299 175.570 176.094 -0.375 0.000 1.090 62 V CA 0.212 62.300 62.300 -0.353 0.000 0.930 62 V CB 2.351 33.964 31.823 -0.350 0.000 1.014 62 V HN 0.525 nan 8.190 nan 0.000 0.425 63 S N 3.642 119.127 115.700 -0.360 0.000 2.672 63 S HA 0.420 4.890 4.470 -0.001 0.000 0.271 63 S C -0.427 174.037 174.600 -0.227 0.000 1.171 63 S CA -0.508 57.507 58.200 -0.308 0.000 0.817 63 S CB 0.970 63.879 63.200 -0.485 0.000 1.150 63 S HN 0.737 nan 8.310 nan 0.000 0.478 64 W N 1.110 122.486 121.300 0.127 0.000 2.961 64 W HA 0.243 4.903 4.660 -0.001 0.000 0.240 64 W C 1.467 178.009 176.519 0.040 0.000 1.305 64 W CA -0.008 57.392 57.345 0.092 0.000 1.465 64 W CB -0.047 29.485 29.460 0.119 0.000 1.135 64 W HN 0.593 nan 8.180 nan 0.000 0.688 65 N N -0.408 118.385 118.700 0.155 0.000 2.280 65 N HA 0.219 4.958 4.740 -0.001 0.000 0.192 65 N C 0.825 176.317 175.510 -0.029 0.000 1.109 65 N CA 1.185 54.273 53.050 0.063 0.000 0.855 65 N CB 0.713 39.207 38.487 0.011 0.000 0.974 65 N HN 0.142 nan 8.380 nan 0.000 0.482 66 G N 0.171 108.924 108.800 -0.078 0.000 2.352 66 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.324 66 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.324 66 G C -0.769 174.017 174.900 -0.191 0.000 1.249 66 G CA -0.396 44.639 45.100 -0.110 0.000 1.053 66 G HN 0.180 nan 8.290 nan 0.000 0.492 67 T N -2.224 112.229 114.554 -0.169 0.000 2.837 67 T HA 0.581 4.930 4.350 -0.001 0.000 0.285 67 T C 0.470 175.032 174.700 -0.231 0.000 0.984 67 T CA 0.514 62.493 62.100 -0.202 0.000 1.049 67 T CB 1.251 70.040 68.868 -0.132 0.000 0.947 67 T HN 1.703 nan 8.240 nan 0.000 0.472 68 N N -0.483 118.017 118.700 -0.334 0.000 2.735 68 N HA -0.114 4.625 4.740 -0.001 0.000 0.248 68 N C -0.890 174.341 175.510 -0.465 0.000 1.083 68 N CA 0.424 53.275 53.050 -0.331 0.000 0.703 68 N CB -1.310 37.160 38.487 -0.029 0.000 1.005 68 N HN 0.567 nan 8.380 nan 0.000 0.550 69 V N 1.288 120.750 119.914 -0.754 0.000 2.378 69 V HA 0.595 4.714 4.120 -0.001 0.000 0.288 69 V C -0.154 175.496 176.094 -0.741 0.000 1.016 69 V CA -0.461 61.541 62.300 -0.497 0.000 0.840 69 V CB 0.532 32.184 31.823 -0.286 0.000 0.994 69 V HN 0.127 nan 8.190 nan 0.000 0.431 70 F N 1.060 120.949 119.950 -0.103 0.000 2.579 70 F HA 0.741 5.267 4.527 -0.001 0.000 0.324 70 F C 1.234 176.988 175.800 -0.077 0.000 1.058 70 F CA -0.379 57.552 58.000 -0.115 0.000 0.944 70 F CB 1.664 40.609 39.000 -0.091 0.000 1.245 70 F HN 0.641 nan 8.300 nan 0.000 0.477 71 G N 1.306 110.181 108.800 0.124 0.000 2.258 71 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.274 71 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.274 71 G C -0.155 174.783 174.900 0.064 0.000 1.021 71 G CA -0.023 45.129 45.100 0.086 0.000 0.798 71 G HN 0.401 nan 8.290 nan 0.000 0.507 72 K N 1.003 121.421 120.400 0.030 0.000 2.307 72 K HA 0.529 4.849 4.320 -0.001 0.000 0.263 72 K C 0.966 177.650 176.600 0.139 0.000 0.973 72 K CA 0.153 56.472 56.287 0.052 0.000 0.846 72 K CB 1.231 33.736 32.500 0.008 0.000 1.100 72 K HN 0.445 nan 8.250 nan 0.000 0.438 73 S N 2.090 117.870 115.700 0.134 0.000 2.596 73 S HA 0.639 5.109 4.470 -0.001 0.000 0.260 73 S C -0.051 174.637 174.600 0.148 0.000 1.336 73 S CA -0.579 57.711 58.200 0.149 0.000 0.993 73 S CB 1.063 64.305 63.200 0.069 0.000 0.923 73 S HN 0.622 nan 8.310 nan 0.000 0.567 74 A N 1.007 123.852 122.820 0.042 0.000 2.566 74 A HA 0.630 4.950 4.320 -0.001 0.000 0.297 74 A C -1.238 176.246 177.584 -0.167 0.000 1.059 74 A CA -1.071 50.952 52.037 -0.023 0.000 0.691 74 A CB 0.861 19.890 19.000 0.048 0.000 1.282 74 A HN 0.867 nan 8.150 nan 0.000 0.401 75 N N 1.056 119.672 118.700 -0.140 0.000 2.511 75 N HA 0.601 5.340 4.740 -0.001 0.000 0.249 75 N C -0.970 174.417 175.510 -0.204 0.000 0.971 75 N CA -0.249 52.698 53.050 -0.171 0.000 0.938 75 N CB 1.291 39.718 38.487 -0.101 0.000 1.131 75 N HN 0.570 nan 8.380 nan 0.000 0.505 76 L N 0.854 121.915 121.223 -0.270 0.000 2.322 76 L HA 0.654 4.993 4.340 -0.001 0.000 0.269 76 L C 0.481 177.319 176.870 -0.054 0.000 1.012 76 L CA -0.979 53.711 54.840 -0.250 0.000 0.815 76 L CB 1.826 43.687 42.059 -0.330 0.000 1.295 76 L HN 0.429 nan 8.230 nan 0.000 0.438 77 T N -1.376 113.116 114.554 -0.103 0.000 2.918 77 T HA 0.780 5.130 4.350 -0.001 0.000 0.286 77 T C -0.699 174.018 174.700 0.028 0.000 1.026 77 T CA -0.605 61.464 62.100 -0.052 0.000 1.031 77 T CB 1.719 70.489 68.868 -0.164 0.000 1.046 77 T HN 0.425 nan 8.240 nan 0.000 0.479 78 F N -1.257 118.623 119.950 -0.117 0.000 2.613 78 F HA 0.875 5.401 4.527 -0.001 0.000 0.310 78 F C -0.931 174.720 175.800 -0.248 0.000 1.085 78 F CA -1.218 56.672 58.000 -0.184 0.000 0.945 78 F CB 2.077 40.988 39.000 -0.148 0.000 1.298 78 F HN 0.824 nan 8.300 nan 0.000 0.455 79 K N 2.369 122.654 120.400 -0.192 0.000 2.523 79 K HA 0.495 4.814 4.320 -0.001 0.000 0.257 79 K C -2.282 174.135 176.600 -0.305 0.000 0.932 79 K CA -0.688 55.421 56.287 -0.298 0.000 0.812 79 K CB 1.970 34.357 32.500 -0.188 0.000 1.326 79 K HN 0.757 nan 8.250 nan 0.000 0.433 80 F N 4.675 124.638 119.950 0.023 0.000 2.335 80 F HA 0.310 4.837 4.527 -0.001 0.000 0.365 80 F C 0.475 176.284 175.800 0.016 0.000 1.122 80 F CA -0.809 57.173 58.000 -0.030 0.000 1.151 80 F CB 0.653 39.634 39.000 -0.032 0.000 1.282 80 F HN 0.193 nan 8.300 nan 0.000 0.513 81 L N 4.258 125.567 121.223 0.143 0.000 2.525 81 L HA -0.026 4.314 4.340 -0.001 0.000 0.278 81 L C 1.169 178.246 176.870 0.346 0.000 1.218 81 L CA 0.031 54.970 54.840 0.165 0.000 0.878 81 L CB 0.486 42.604 42.059 0.098 0.000 1.127 81 L HN 0.618 nan 8.230 nan 0.000 0.492 82 Q N 1.394 121.330 119.800 0.226 0.000 2.352 82 Q HA 0.139 4.479 4.340 -0.001 0.000 0.212 82 Q C 0.187 176.370 176.000 0.306 0.000 0.888 82 Q CA 0.283 56.249 55.803 0.272 0.000 0.934 82 Q CB 0.936 29.764 28.738 0.151 0.000 1.093 82 Q HN 0.849 nan 8.270 nan 0.000 0.523 83 S N -1.163 114.558 115.700 0.036 0.000 2.615 83 S HA 0.648 5.118 4.470 -0.001 0.000 0.268 83 S C -0.820 173.478 174.600 -0.504 0.000 1.146 83 S CA -0.533 57.550 58.200 -0.195 0.000 0.818 83 S CB 1.495 64.683 63.200 -0.019 0.000 1.111 83 S HN 0.091 nan 8.310 nan 0.000 0.465 84 V N -1.076 118.528 119.914 -0.516 0.000 3.087 84 V HA 0.835 4.955 4.120 -0.001 0.000 0.306 84 V C 0.787 176.780 176.094 -0.169 0.000 1.187 84 V CA -0.101 61.989 62.300 -0.350 0.000 0.999 84 V CB 1.268 32.836 31.823 -0.425 0.000 1.049 84 V HN 1.519 nan 8.190 nan 0.000 0.431 85 S N 1.056 116.693 115.700 -0.105 0.000 2.439 85 S HA 0.335 4.804 4.470 -0.001 0.000 0.224 85 S C 0.785 175.347 174.600 -0.063 0.000 1.029 85 S CA 0.594 58.755 58.200 -0.064 0.000 0.946 85 S CB -0.336 62.835 63.200 -0.048 0.000 0.797 85 S HN 2.370 nan 8.310 nan 0.000 0.504 86 S N -0.260 115.389 115.700 -0.084 0.000 2.597 86 S HA 0.562 5.031 4.470 -0.001 0.000 0.274 86 S C -1.398 173.101 174.600 -0.167 0.000 1.132 86 S CA -1.181 56.959 58.200 -0.100 0.000 0.835 86 S CB 0.213 63.363 63.200 -0.084 0.000 1.092 86 S HN 0.287 nan 8.310 nan 0.000 0.457 87 I N 2.724 123.138 120.570 -0.260 0.000 2.331 87 I HA 0.355 4.525 4.170 -0.001 0.000 0.292 87 I C -1.148 174.729 176.117 -0.400 0.000 0.998 87 I CA -2.605 58.360 61.300 -0.559 0.000 1.267 87 I CB 1.953 39.526 38.000 -0.711 0.000 1.386 87 I HN 0.606 nan 8.210 nan 0.000 0.476 88 P HA -0.210 nan 4.420 nan 0.000 0.218 88 P C 1.227 178.422 177.300 -0.174 0.000 1.146 88 P CA 1.379 64.318 63.100 -0.268 0.000 0.820 88 P CB 0.127 31.574 31.700 -0.421 0.000 0.778 89 S N -1.912 113.682 115.700 -0.177 0.000 2.470 89 S HA 0.228 4.698 4.470 -0.001 0.000 0.225 89 S C 1.815 176.298 174.600 -0.194 0.000 1.006 89 S CA 0.878 58.978 58.200 -0.166 0.000 0.934 89 S CB -0.893 62.102 63.200 -0.342 0.000 0.778 89 S HN 0.338 nan 8.310 nan 0.000 0.517 90 G N 0.784 109.471 108.800 -0.189 0.000 2.232 90 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.226 90 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.226 90 G C -0.281 174.543 174.900 -0.127 0.000 0.996 90 G CA -0.004 45.013 45.100 -0.138 0.000 0.626 90 G HN 0.515 nan 8.290 nan 0.000 0.509 91 D N 1.557 121.852 120.400 -0.175 0.000 2.378 91 D HA 0.506 5.146 4.640 -0.001 0.000 0.238 91 D C 1.253 177.534 176.300 -0.032 0.000 1.180 91 D CA 1.454 55.381 54.000 -0.121 0.000 0.895 91 D CB 1.116 41.750 40.800 -0.277 0.000 1.192 91 D HN 0.640 nan 8.370 nan 0.000 0.438 92 T N -3.739 110.862 114.554 0.078 0.000 2.693 92 T HA 0.587 4.936 4.350 -0.001 0.000 0.278 92 T C 0.650 175.478 174.700 0.213 0.000 0.994 92 T CA -0.361 61.811 62.100 0.120 0.000 1.033 92 T CB 1.333 70.250 68.868 0.082 0.000 1.342 92 T HN 0.555 nan 8.240 nan 0.000 0.538 93 G N 0.632 109.550 108.800 0.196 0.000 2.298 93 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.287 93 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.287 93 G C -0.243 174.799 174.900 0.237 0.000 1.075 93 G CA -0.093 45.125 45.100 0.197 0.000 0.960 93 G HN 1.082 nan 8.290 nan 0.000 0.502 94 F N 0.314 120.354 119.950 0.151 0.000 2.602 94 F HA 0.458 4.985 4.527 -0.001 0.000 0.367 94 F C 0.334 176.203 175.800 0.114 0.000 1.126 94 F CA 0.223 58.335 58.000 0.188 0.000 1.321 94 F CB 0.880 39.992 39.000 0.186 0.000 1.094 94 F HN 0.177 nan 8.300 nan 0.000 0.594 95 V N 6.471 125.786 119.914 -0.999 0.000 2.668 95 V HA 0.231 4.351 4.120 -0.001 0.000 0.304 95 V C -0.586 174.822 176.094 -1.143 0.000 1.071 95 V CA -1.293 60.454 62.300 -0.921 0.000 0.894 95 V CB 1.859 33.205 31.823 -0.795 0.000 1.008 95 V HN 0.799 nan 8.190 nan 0.000 0.425 96 K N 3.790 123.719 120.400 -0.784 0.000 2.180 96 K HA 0.418 4.737 4.320 -0.001 0.000 0.251 96 K C -0.317 176.286 176.600 0.005 0.000 1.014 96 K CA -0.355 55.794 56.287 -0.231 0.000 0.913 96 K CB 0.859 33.405 32.500 0.077 0.000 1.008 96 K HN 0.419 nan 8.250 nan 0.000 0.490 97 F N 2.143 122.069 119.950 -0.041 0.000 2.572 97 F HA -0.075 4.452 4.527 -0.001 0.000 0.370 97 F C 1.111 176.863 175.800 -0.079 0.000 1.103 97 F CA -0.596 57.384 58.000 -0.034 0.000 1.286 97 F CB 0.537 39.511 39.000 -0.045 0.000 1.105 97 F HN 0.777 nan 8.300 nan 0.000 0.583 98 N N 2.669 121.372 118.700 0.005 0.000 2.413 98 N HA 0.341 5.081 4.740 -0.001 0.000 0.266 98 N C 0.514 175.971 175.510 -0.089 0.000 1.238 98 N CA -0.113 52.928 53.050 -0.016 0.000 0.972 98 N CB 0.495 39.005 38.487 0.039 0.000 1.210 98 N HN 0.548 nan 8.380 nan 0.000 0.547 99 A N -0.404 122.369 122.820 -0.079 0.000 1.917 99 A HA -0.263 4.056 4.320 -0.001 0.000 0.219 99 A C 1.986 179.501 177.584 -0.115 0.000 1.182 99 A CA 1.947 53.922 52.037 -0.103 0.000 0.633 99 A CB -1.168 17.791 19.000 -0.067 0.000 0.819 99 A HN 0.912 nan 8.150 nan 0.000 0.448 100 E N -0.521 119.619 120.200 -0.100 0.000 2.072 100 E HA -0.229 4.121 4.350 -0.001 0.000 0.191 100 E C 2.174 178.711 176.600 -0.105 0.000 0.985 100 E CA 1.198 57.540 56.400 -0.097 0.000 0.801 100 E CB -0.163 29.479 29.700 -0.097 0.000 0.750 100 E HN 0.771 nan 8.360 nan 0.000 0.452 101 Q N 0.180 119.882 119.800 -0.163 0.000 2.124 101 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 101 Q C 2.332 178.265 176.000 -0.111 0.000 0.977 101 Q CA 1.379 57.067 55.803 -0.193 0.000 0.850 101 Q CB -0.058 28.203 28.738 -0.794 0.000 0.901 101 Q HN 0.419 nan 8.270 nan 0.000 0.429 102 I N 0.525 120.963 120.570 -0.219 0.000 2.179 102 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 102 I C 2.424 178.429 176.117 -0.187 0.000 1.088 102 I CA 1.104 62.134 61.300 -0.450 0.000 1.357 102 I CB -0.155 37.418 38.000 -0.712 0.000 1.051 102 I HN 0.195 nan 8.210 nan 0.000 0.409 103 E N 0.757 120.891 120.200 -0.111 0.000 2.047 103 E HA -0.225 4.124 4.350 -0.001 0.000 0.191 103 E C 2.182 178.786 176.600 0.006 0.000 0.987 103 E CA 1.444 57.820 56.400 -0.040 0.000 0.799 103 E CB -0.077 29.600 29.700 -0.039 0.000 0.752 103 E HN 0.312 nan 8.360 nan 0.000 0.449 104 Q N -0.256 119.568 119.800 0.039 0.000 2.167 104 Q HA -0.016 4.324 4.340 -0.001 0.000 0.202 104 Q C 2.104 178.226 176.000 0.204 0.000 0.970 104 Q CA 1.363 57.228 55.803 0.103 0.000 0.855 104 Q CB -0.438 28.338 28.738 0.064 0.000 0.911 104 Q HN 0.385 nan 8.270 nan 0.000 0.438 105 A N 1.319 124.237 122.820 0.162 0.000 1.930 105 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 105 A C 2.078 179.567 177.584 -0.160 0.000 1.175 105 A CA 1.403 53.385 52.037 -0.091 0.000 0.627 105 A CB -0.268 18.409 19.000 -0.538 0.000 0.815 105 A HN 0.245 nan 8.150 nan 0.000 0.443 106 K N -0.342 120.002 120.400 -0.092 0.000 2.097 106 K HA 0.000 4.320 4.320 -0.001 0.000 0.206 106 K C 1.774 178.347 176.600 -0.045 0.000 1.049 106 K CA 1.208 57.429 56.287 -0.110 0.000 0.933 106 K CB -0.328 32.183 32.500 0.019 0.000 0.717 106 K HN 0.466 nan 8.250 nan 0.000 0.442 107 L N 0.434 121.666 121.223 0.016 0.000 2.093 107 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 107 L C 2.342 179.245 176.870 0.055 0.000 1.085 107 L CA 0.938 55.813 54.840 0.058 0.000 0.755 107 L CB -0.338 41.765 42.059 0.072 0.000 0.904 107 L HN 0.103 nan 8.230 nan 0.000 0.435 108 S N 0.159 115.885 115.700 0.044 0.000 2.368 108 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 108 S C 1.995 176.632 174.600 0.062 0.000 1.029 108 S CA 1.102 59.325 58.200 0.039 0.000 0.988 108 S CB -0.252 63.049 63.200 0.170 0.000 0.838 108 S HN 0.263 nan 8.310 nan 0.000 0.462 109 L N 1.352 122.557 121.223 -0.031 0.000 2.042 109 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 109 L C 2.824 179.772 176.870 0.129 0.000 1.076 109 L CA 1.549 56.285 54.840 -0.174 0.000 0.749 109 L CB -0.511 41.128 42.059 -0.701 0.000 0.893 109 L HN 0.393 nan 8.230 nan 0.000 0.432 110 Q N -0.044 119.821 119.800 0.109 0.000 2.124 110 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 110 Q C 2.271 178.401 176.000 0.216 0.000 0.977 110 Q CA 2.003 57.924 55.803 0.196 0.000 0.850 110 Q CB -0.001 28.827 28.738 0.151 0.000 0.901 110 Q HN 0.597 nan 8.270 nan 0.000 0.429 111 S N -1.352 114.420 115.700 0.120 0.000 2.447 111 S HA -0.135 4.335 4.470 -0.001 0.000 0.233 111 S C 1.324 175.898 174.600 -0.044 0.000 1.006 111 S CA 0.697 58.896 58.200 -0.001 0.000 0.957 111 S CB -0.581 62.384 63.200 -0.392 0.000 0.773 111 S HN 0.588 nan 8.310 nan 0.000 0.507 112 W N 2.259 123.638 121.300 0.131 0.000 2.481 112 W HA 0.085 4.744 4.660 -0.001 0.000 0.293 112 W C 3.058 179.674 176.519 0.161 0.000 1.201 112 W CA 0.559 57.993 57.345 0.148 0.000 1.328 112 W CB -0.302 29.278 29.460 0.199 0.000 1.112 112 W HN 0.440 nan 8.180 nan 0.000 0.546 113 S N -0.510 115.476 115.700 0.477 0.000 2.447 113 S HA -0.166 4.303 4.470 -0.001 0.000 0.233 113 S C 1.242 175.966 174.600 0.206 0.000 1.006 113 S CA 1.430 59.787 58.200 0.262 0.000 0.957 113 S CB -0.440 62.910 63.200 0.250 0.000 0.773 113 S HN 0.090 nan 8.310 nan 0.000 0.507 114 D N 1.619 122.169 120.400 0.249 0.000 2.144 114 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 114 D C 2.125 178.583 176.300 0.263 0.000 0.984 114 D CA 1.540 55.710 54.000 0.283 0.000 0.834 114 D CB -0.129 40.882 40.800 0.350 0.000 0.955 114 D HN 0.551 nan 8.370 nan 0.000 0.465 115 V N -2.643 117.328 119.914 0.095 0.000 3.263 115 V HA 0.502 4.621 4.120 -0.001 0.000 0.248 115 V C 0.773 176.665 176.094 -0.336 0.000 1.145 115 V CA 0.466 62.568 62.300 -0.330 0.000 1.107 115 V CB -0.015 31.649 31.823 -0.265 0.000 0.797 115 V HN 0.066 nan 8.190 nan 0.000 0.467 116 A N 0.635 123.432 122.820 -0.038 0.000 2.322 116 A HA 0.548 4.868 4.320 -0.001 0.000 0.327 116 A C -0.063 177.532 177.584 0.019 0.000 1.134 116 A CA -0.631 51.409 52.037 0.005 0.000 0.831 116 A CB 0.549 19.620 19.000 0.118 0.000 1.288 116 A HN 0.402 nan 8.150 nan 0.000 0.472 117 N N 0.622 119.348 118.700 0.043 0.000 2.819 117 N HA 0.381 5.120 4.740 -0.001 0.000 0.284 117 N C -1.160 174.310 175.510 -0.067 0.000 1.196 117 N CA 0.043 53.108 53.050 0.025 0.000 1.114 117 N CB -0.433 38.094 38.487 0.066 0.000 1.437 117 N HN 0.484 nan 8.380 nan 0.000 0.518 118 L N 0.950 122.074 121.223 -0.165 0.000 2.388 118 L HA 0.533 4.873 4.340 -0.001 0.000 0.264 118 L C -0.198 176.429 176.870 -0.405 0.000 0.998 118 L CA -0.940 53.660 54.840 -0.400 0.000 0.817 118 L CB 2.299 43.981 42.059 -0.628 0.000 1.338 118 L HN 0.212 nan 8.230 nan 0.000 0.414 119 T N -1.619 112.634 114.554 -0.502 0.000 2.886 119 T HA 0.696 5.046 4.350 -0.001 0.000 0.292 119 T C -0.921 173.506 174.700 -0.454 0.000 1.012 119 T CA -0.522 61.382 62.100 -0.327 0.000 0.982 119 T CB 1.190 69.974 68.868 -0.140 0.000 1.018 119 T HN 0.207 nan 8.240 nan 0.000 0.451 120 F N 1.253 121.245 119.950 0.069 0.000 2.467 120 F HA 0.576 5.102 4.527 -0.001 0.000 0.336 120 F C 0.464 176.427 175.800 0.271 0.000 1.123 120 F CA -0.754 57.347 58.000 0.169 0.000 0.964 120 F CB 2.596 41.675 39.000 0.132 0.000 1.136 120 F HN 0.586 nan 8.300 nan 0.000 0.447 121 T N 2.310 117.083 114.554 0.365 0.000 2.841 121 T HA 0.180 4.530 4.350 -0.001 0.000 0.285 121 T C -0.664 173.851 174.700 -0.308 0.000 0.991 121 T CA -0.771 61.383 62.100 0.092 0.000 0.966 121 T CB 1.548 70.414 68.868 -0.003 0.000 0.962 121 T HN 0.572 nan 8.240 nan 0.000 0.438 122 E N 2.585 122.400 120.200 -0.641 0.000 2.354 122 E HA 0.440 4.789 4.350 -0.001 0.000 0.269 122 E C -0.331 175.964 176.600 -0.510 0.000 1.036 122 E CA -0.660 55.057 56.400 -1.138 0.000 0.876 122 E CB 0.644 29.804 29.700 -0.900 0.000 1.009 122 E HN 0.502 nan 8.360 nan 0.000 0.416 123 V N 0.983 120.622 119.914 -0.458 0.000 2.914 123 V HA 0.768 4.888 4.120 -0.001 0.000 0.314 123 V C -0.119 175.866 176.094 -0.182 0.000 1.084 123 V CA -0.289 61.864 62.300 -0.245 0.000 0.963 123 V CB 1.433 33.135 31.823 -0.202 0.000 1.025 123 V HN 0.875 nan 8.190 nan 0.000 0.432 124 T N -0.858 113.632 114.554 -0.107 0.000 2.693 124 T HA 0.926 5.275 4.350 -0.001 0.000 0.278 124 T C 0.739 175.413 174.700 -0.043 0.000 0.994 124 T CA 0.188 62.254 62.100 -0.056 0.000 1.033 124 T CB 1.011 69.864 68.868 -0.027 0.000 1.342 124 T HN 2.646 nan 8.240 nan 0.000 0.538 125 G N 1.536 110.324 108.800 -0.020 0.000 2.574 125 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.286 125 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.286 125 G C 0.291 175.176 174.900 -0.025 0.000 1.212 125 G CA 0.555 45.644 45.100 -0.018 0.000 0.979 125 G HN 0.983 nan 8.290 nan 0.000 0.557 126 N N 1.318 120.002 118.700 -0.028 0.000 2.398 126 N HA 0.179 4.919 4.740 -0.001 0.000 0.188 126 N C 0.574 176.059 175.510 -0.042 0.000 1.122 126 N CA 0.657 53.689 53.050 -0.031 0.000 0.866 126 N CB 0.265 38.737 38.487 -0.025 0.000 0.970 126 N HN 0.589 nan 8.380 nan 0.000 0.462 127 K N 1.004 121.373 120.400 -0.051 0.000 2.382 127 K HA 0.123 4.443 4.320 -0.001 0.000 0.275 127 K C 0.484 177.038 176.600 -0.076 0.000 1.009 127 K CA -0.140 56.109 56.287 -0.063 0.000 0.970 127 K CB 0.555 33.011 32.500 -0.074 0.000 0.934 127 K HN 0.141 nan 8.250 nan 0.000 0.479 128 S N 0.829 116.484 115.700 -0.076 0.000 2.603 128 S HA 0.604 5.074 4.470 -0.001 0.000 0.268 128 S C -0.234 174.295 174.600 -0.118 0.000 1.317 128 S CA -0.945 57.204 58.200 -0.085 0.000 1.012 128 S CB 1.463 64.620 63.200 -0.071 0.000 0.926 128 S HN 0.664 nan 8.310 nan 0.000 0.539 129 A N 1.097 123.836 122.820 -0.135 0.000 2.539 129 A HA 0.612 4.932 4.320 -0.001 0.000 0.296 129 A C 0.292 177.740 177.584 -0.226 0.000 1.073 129 A CA -1.061 50.868 52.037 -0.180 0.000 0.700 129 A CB 0.756 19.650 19.000 -0.176 0.000 1.296 129 A HN 0.868 nan 8.150 nan 0.000 0.405 130 N N -0.022 118.458 118.700 -0.366 0.000 2.106 130 N HA 0.013 4.753 4.740 -0.001 0.000 0.188 130 N C 0.012 175.334 175.510 -0.313 0.000 1.029 130 N CA 1.347 53.976 53.050 -0.701 0.000 0.848 130 N CB -0.065 37.666 38.487 -1.260 0.000 1.007 130 N HN 0.665 nan 8.380 nan 0.000 0.423 131 I N 0.406 120.846 120.570 -0.215 0.000 2.433 131 I HA 0.254 4.423 4.170 -0.001 0.000 0.292 131 I C -0.377 175.559 176.117 -0.302 0.000 1.001 131 I CA -0.692 60.492 61.300 -0.193 0.000 1.119 131 I CB 1.904 39.790 38.000 -0.191 0.000 1.289 131 I HN 0.059 nan 8.210 nan 0.000 0.438 132 T N 1.901 116.169 114.554 -0.476 0.000 2.916 132 T HA 0.729 5.078 4.350 -0.001 0.000 0.292 132 T C -0.876 173.293 174.700 -0.885 0.000 1.055 132 T CA -0.666 61.132 62.100 -0.503 0.000 1.009 132 T CB 1.784 70.439 68.868 -0.355 0.000 1.118 132 T HN 0.178 nan 8.240 nan 0.000 0.497 133 F N -0.107 119.482 119.950 -0.601 0.000 2.540 133 F HA 0.821 5.348 4.527 -0.001 0.000 0.317 133 F C 0.691 176.085 175.800 -0.676 0.000 1.104 133 F CA -0.391 57.151 58.000 -0.763 0.000 0.913 133 F CB 2.749 41.002 39.000 -1.245 0.000 1.170 133 F HN 1.180 nan 8.300 nan 0.000 0.450 134 G N 1.888 110.551 108.800 -0.229 0.000 2.632 134 G HA2 0.387 4.347 3.960 -0.001 0.000 0.292 134 G HA3 0.387 4.347 3.960 -0.001 0.000 0.292 134 G C -2.049 173.253 174.900 0.670 0.000 1.465 134 G CA -0.975 44.298 45.100 0.289 0.000 0.824 134 G HN 0.430 nan 8.290 nan 0.000 0.509 135 N N -0.720 118.299 118.700 0.533 0.000 2.443 135 N HA 0.693 5.433 4.740 -0.001 0.000 0.293 135 N C -1.114 174.660 175.510 0.440 0.000 1.159 135 N CA -0.286 53.045 53.050 0.468 0.000 0.904 135 N CB 2.121 40.736 38.487 0.213 0.000 1.214 135 N HN 0.683 nan 8.380 nan 0.000 0.513 136 Y N -2.816 117.695 120.300 0.352 0.000 2.634 136 Y HA 0.649 5.198 4.550 -0.001 0.000 0.340 136 Y C 0.602 176.644 175.900 0.237 0.000 1.058 136 Y CA -0.894 57.372 58.100 0.277 0.000 1.081 136 Y CB 1.136 39.761 38.460 0.275 0.000 1.295 136 Y HN 0.523 nan 8.280 nan 0.000 0.487 137 T N -2.744 111.996 114.554 0.310 0.000 3.131 137 T HA 0.495 4.845 4.350 -0.001 0.000 0.283 137 T C 0.042 174.894 174.700 0.254 0.000 0.906 137 T CA -0.374 61.849 62.100 0.205 0.000 0.882 137 T CB 0.103 69.068 68.868 0.162 0.000 1.208 137 T HN 0.689 nan 8.240 nan 0.000 0.561 138 R N 1.433 122.118 120.500 0.307 0.000 2.817 138 R HA 0.629 4.968 4.340 -0.001 0.000 0.268 138 R C -1.495 174.919 176.300 0.191 0.000 1.027 138 R CA -0.882 55.346 56.100 0.214 0.000 0.928 138 R CB 1.094 31.483 30.300 0.149 0.000 1.228 138 R HN 0.270 nan 8.270 nan 0.000 0.469 139 D N 0.125 120.591 120.400 0.111 0.000 2.506 139 D HA 0.276 4.916 4.640 -0.001 0.000 0.272 139 D C 0.806 177.121 176.300 0.025 0.000 1.214 139 D CA -0.572 53.458 54.000 0.050 0.000 1.067 139 D CB 0.369 41.184 40.800 0.024 0.000 1.117 139 D HN 0.469 nan 8.370 nan 0.000 0.578 140 A N -0.316 122.498 122.820 -0.011 0.000 2.024 140 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 140 A C 1.982 179.566 177.584 -0.000 0.000 1.164 140 A CA 1.552 53.579 52.037 -0.016 0.000 0.643 140 A CB -0.908 18.070 19.000 -0.038 0.000 0.806 140 A HN 0.441 nan 8.150 nan 0.000 0.451 141 S N -1.809 113.894 115.700 0.006 0.000 2.562 141 S HA 0.323 4.792 4.470 -0.001 0.000 0.221 141 S C 1.458 176.073 174.600 0.024 0.000 0.975 141 S CA 0.887 59.093 58.200 0.011 0.000 0.918 141 S CB -0.010 63.196 63.200 0.009 0.000 0.772 141 S HN 1.622 nan 8.310 nan 0.000 0.531 142 G N 1.886 110.707 108.800 0.036 0.000 2.157 142 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.248 142 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.248 142 G C -0.270 174.664 174.900 0.058 0.000 0.979 142 G CA -0.428 44.701 45.100 0.049 0.000 0.650 142 G HN 0.443 nan 8.290 nan 0.000 0.529 143 N N 0.027 118.760 118.700 0.054 0.000 2.509 143 N HA 0.501 5.240 4.740 -0.001 0.000 0.287 143 N C 0.210 175.767 175.510 0.078 0.000 1.121 143 N CA -0.638 52.447 53.050 0.058 0.000 0.977 143 N CB 1.709 40.220 38.487 0.040 0.000 1.167 143 N HN 0.240 nan 8.380 nan 0.000 0.476 144 L N 1.496 122.776 121.223 0.094 0.000 2.540 144 L HA -0.010 4.329 4.340 -0.001 0.000 0.276 144 L C 0.124 177.051 176.870 0.095 0.000 1.212 144 L CA 0.590 55.506 54.840 0.127 0.000 0.893 144 L CB 0.030 42.189 42.059 0.166 0.000 1.138 144 L HN 0.458 nan 8.230 nan 0.000 0.491 145 D N 3.547 124.020 120.400 0.122 0.000 2.453 145 D HA 0.163 4.803 4.640 -0.001 0.000 0.238 145 D C -0.355 176.011 176.300 0.109 0.000 1.088 145 D CA -0.316 53.724 54.000 0.067 0.000 0.854 145 D CB 0.541 41.454 40.800 0.188 0.000 1.076 145 D HN 0.458 nan 8.370 nan 0.000 0.533 146 Y N 1.791 122.147 120.300 0.094 0.000 2.584 146 Y HA 0.537 5.087 4.550 -0.000 0.000 0.254 146 Y C 1.269 177.209 175.900 0.067 0.000 1.177 146 Y CA -0.504 57.636 58.100 0.066 0.000 1.216 146 Y CB 0.416 38.902 38.460 0.043 0.000 1.172 146 Y HN 0.248 nan 8.280 nan 0.000 0.529 147 G N 0.562 109.338 108.800 -0.040 0.000 2.651 147 G HA2 0.054 4.014 3.960 -0.001 0.000 0.207 147 G HA3 0.054 4.014 3.960 -0.001 0.000 0.207 147 G C 0.710 175.669 174.900 0.097 0.000 1.131 147 G CA 0.574 45.688 45.100 0.023 0.000 0.816 147 G HN 0.436 nan 8.290 nan 0.000 0.534 148 T N -1.951 112.690 114.554 0.146 0.000 2.788 148 T HA 0.445 4.794 4.350 -0.001 0.000 0.287 148 T C 0.856 175.704 174.700 0.247 0.000 1.007 148 T CA 0.274 62.509 62.100 0.225 0.000 1.005 148 T CB 2.069 71.144 68.868 0.346 0.000 1.012 148 T HN 0.138 nan 8.240 nan 0.000 0.530 149 Q N 0.514 120.484 119.800 0.283 0.000 2.642 149 Q HA 0.643 4.982 4.340 -0.001 0.000 0.202 149 Q C 0.048 176.237 176.000 0.315 0.000 0.845 149 Q CA 0.768 56.724 55.803 0.256 0.000 0.873 149 Q CB 0.357 29.228 28.738 0.222 0.000 1.190 149 Q HN 1.174 nan 8.270 nan 0.000 0.642 150 A N -1.268 121.757 122.820 0.341 0.000 2.515 150 A HA 0.627 4.947 4.320 -0.001 0.000 0.292 150 A C -1.932 175.824 177.584 0.286 0.000 1.065 150 A CA -0.202 51.969 52.037 0.224 0.000 0.641 150 A CB 0.386 19.475 19.000 0.149 0.000 1.306 150 A HN 0.573 nan 8.150 nan 0.000 0.441 151 Y N -3.373 117.005 120.300 0.130 0.000 2.702 151 Y HA 0.869 5.418 4.550 -0.001 0.000 0.336 151 Y C -0.518 175.390 175.900 0.013 0.000 1.203 151 Y CA -0.731 57.412 58.100 0.073 0.000 1.072 151 Y CB 0.626 39.075 38.460 -0.019 0.000 1.327 151 Y HN 2.043 nan 8.280 nan 0.000 0.456 152 A N 0.597 123.456 122.820 0.065 0.000 2.609 152 A HA 0.823 5.142 4.320 -0.001 0.000 0.291 152 A C -2.526 174.892 177.584 -0.277 0.000 1.096 152 A CA -1.022 51.021 52.037 0.009 0.000 0.684 152 A CB 1.233 20.267 19.000 0.055 0.000 1.282 152 A HN 0.701 nan 8.150 nan 0.000 0.412 153 Y N -0.248 120.066 120.300 0.022 0.000 2.377 153 Y HA 0.526 5.076 4.550 -0.001 0.000 0.339 153 Y C 0.014 175.907 175.900 -0.011 0.000 1.011 153 Y CA -0.269 57.822 58.100 -0.015 0.000 1.093 153 Y CB 1.067 39.643 38.460 0.193 0.000 1.201 153 Y HN 0.642 nan 8.280 nan 0.000 0.455 154 Y N 3.051 123.446 120.300 0.158 0.000 2.459 154 Y HA 0.074 4.623 4.550 -0.001 0.000 0.349 154 Y C -1.793 174.013 175.900 -0.156 0.000 1.266 154 Y CA -1.785 56.310 58.100 -0.008 0.000 1.483 154 Y CB -0.023 38.419 38.460 -0.031 0.000 1.362 154 Y HN 0.359 nan 8.280 nan 0.000 0.628 155 P HA 0.215 nan 4.420 nan 0.000 0.269 155 P C -0.205 176.732 177.300 -0.605 0.000 1.215 155 P CA 0.340 62.733 63.100 -1.179 0.000 0.780 155 P CB 0.814 31.509 31.700 -1.676 0.000 0.898 156 G N 0.985 109.395 108.800 -0.649 0.000 2.315 156 G HA2 0.047 4.007 3.960 -0.001 0.000 0.294 156 G HA3 0.047 4.007 3.960 -0.001 0.000 0.294 156 G C -0.661 174.140 174.900 -0.165 0.000 1.300 156 G CA -0.530 44.441 45.100 -0.214 0.000 0.843 156 G HN 0.370 nan 8.290 nan 0.000 0.527 157 N N -0.246 118.447 118.700 -0.013 0.000 2.214 157 N HA 0.175 4.915 4.740 -0.001 0.000 0.214 157 N C -0.085 175.435 175.510 0.016 0.000 1.132 157 N CA 0.001 53.057 53.050 0.010 0.000 0.856 157 N CB 0.585 39.102 38.487 0.051 0.000 1.020 157 N HN 0.596 nan 8.380 nan 0.000 0.509 158 Y N 0.056 120.364 120.300 0.013 0.000 2.374 158 Y HA 0.500 5.050 4.550 -0.001 0.000 0.322 158 Y C 0.779 176.673 175.900 -0.010 0.000 1.275 158 Y CA -1.494 56.604 58.100 -0.004 0.000 1.307 158 Y CB 0.201 38.654 38.460 -0.013 0.000 1.282 158 Y HN -0.230 nan 8.280 nan 0.000 0.509 159 Q N 1.382 121.259 119.800 0.127 0.000 2.244 159 Q HA 0.363 4.703 4.340 -0.001 0.000 0.278 159 Q C 0.858 176.847 176.000 -0.018 0.000 1.093 159 Q CA 1.570 57.386 55.803 0.022 0.000 0.916 159 Q CB 0.020 28.775 28.738 0.028 0.000 1.159 159 Q HN 1.200 nan 8.270 nan 0.000 0.384 160 G N 2.413 111.141 108.800 -0.121 0.000 2.176 160 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.232 160 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.232 160 G C 0.199 174.968 174.900 -0.218 0.000 0.986 160 G CA -0.116 44.886 45.100 -0.163 0.000 0.643 160 G HN 1.113 nan 8.290 nan 0.000 0.522 161 A N 0.090 122.599 122.820 -0.518 0.000 2.546 161 A HA 0.604 4.924 4.320 -0.001 0.000 0.243 161 A C 2.114 179.688 177.584 -0.016 0.000 1.063 161 A CA 2.080 53.755 52.037 -0.604 0.000 0.757 161 A CB -0.172 18.190 19.000 -1.064 0.000 0.991 161 A HN 2.402 nan 8.150 nan 0.000 0.503 162 G N 1.579 110.461 108.800 0.136 0.000 2.179 162 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.260 162 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.260 162 G C 0.582 175.525 174.900 0.072 0.000 0.977 162 G CA 0.890 46.168 45.100 0.297 0.000 0.641 162 G HN 2.181 nan 8.290 nan 0.000 0.533 163 S N 0.038 115.780 115.700 0.070 0.000 2.565 163 S HA 0.703 5.173 4.470 -0.001 0.000 0.276 163 S C 0.181 174.671 174.600 -0.183 0.000 1.326 163 S CA 0.625 58.754 58.200 -0.117 0.000 1.045 163 S CB 1.909 65.178 63.200 0.115 0.000 0.918 163 S HN 1.840 nan 8.310 nan 0.000 0.505 164 S N 1.696 116.969 115.700 -0.712 0.000 2.526 164 S HA 0.775 5.245 4.470 -0.001 0.000 0.293 164 S C -1.523 172.430 174.600 -1.078 0.000 1.092 164 S CA -0.960 56.850 58.200 -0.651 0.000 0.980 164 S CB 0.303 63.214 63.200 -0.483 0.000 1.048 164 S HN 0.842 nan 8.310 nan 0.000 0.483 165 W N 0.890 121.818 121.300 -0.619 0.000 2.915 165 W HA 0.683 5.342 4.660 -0.001 0.000 0.337 165 W C -1.616 174.498 176.519 -0.675 0.000 1.102 165 W CA -0.730 56.344 57.345 -0.451 0.000 1.224 165 W CB 1.236 30.440 29.460 -0.427 0.000 1.416 165 W HN 0.674 nan 8.180 nan 0.000 0.503 166 Y N 1.042 121.625 120.300 0.472 0.000 2.512 166 Y HA 0.299 4.848 4.550 -0.001 0.000 0.348 166 Y C 0.112 175.933 175.900 -0.131 0.000 0.990 166 Y CA -1.578 56.697 58.100 0.293 0.000 1.033 166 Y CB 1.366 40.056 38.460 0.385 0.000 1.259 166 Y HN 0.306 nan 8.280 nan 0.000 0.461 167 N N 1.645 120.221 118.700 -0.208 0.000 2.399 167 N HA -0.046 4.693 4.740 -0.001 0.000 0.259 167 N C 0.285 175.732 175.510 -0.104 0.000 1.160 167 N CA 0.231 52.949 53.050 -0.553 0.000 0.946 167 N CB 0.079 38.416 38.487 -0.249 0.000 1.156 167 N HN 0.755 nan 8.380 nan 0.000 0.489 168 Y N 3.565 123.746 120.300 -0.198 0.000 2.483 168 Y HA 0.002 4.551 4.550 -0.001 0.000 0.291 168 Y C 1.253 177.123 175.900 -0.049 0.000 1.143 168 Y CA 1.103 59.156 58.100 -0.079 0.000 1.289 168 Y CB 0.124 38.549 38.460 -0.058 0.000 0.983 168 Y HN 0.583 nan 8.280 nan 0.000 0.556 169 N N -0.080 118.633 118.700 0.021 0.000 2.461 169 N HA -0.056 4.684 4.740 -0.001 0.000 0.188 169 N C -0.195 175.305 175.510 -0.017 0.000 1.134 169 N CA 0.513 53.575 53.050 0.020 0.000 0.878 169 N CB 0.040 38.593 38.487 0.111 0.000 0.972 169 N HN 0.374 nan 8.380 nan 0.000 0.456 170 Q N 0.358 120.129 119.800 -0.047 0.000 2.278 170 Q HA 0.156 4.496 4.340 -0.001 0.000 0.257 170 Q C 1.097 177.026 176.000 -0.118 0.000 0.928 170 Q CA -0.133 55.648 55.803 -0.037 0.000 0.932 170 Q CB 1.684 30.429 28.738 0.012 0.000 1.221 170 Q HN 0.213 nan 8.270 nan 0.000 0.434 171 S N 2.605 118.240 115.700 -0.108 0.000 2.399 171 S HA -0.248 4.222 4.470 -0.001 0.000 0.231 171 S C 1.272 175.782 174.600 -0.150 0.000 1.022 171 S CA 1.693 59.806 58.200 -0.144 0.000 0.983 171 S CB -0.219 62.917 63.200 -0.106 0.000 0.803 171 S HN 0.773 nan 8.310 nan 0.000 0.480 172 N N 1.664 120.300 118.700 -0.107 0.000 2.309 172 N HA -0.055 4.685 4.740 -0.001 0.000 0.182 172 N C 1.568 176.955 175.510 -0.205 0.000 1.018 172 N CA 1.257 54.234 53.050 -0.122 0.000 0.876 172 N CB -0.406 38.057 38.487 -0.039 0.000 0.972 172 N HN 0.365 nan 8.380 nan 0.000 0.434 173 I N 0.641 121.108 120.570 -0.172 0.000 2.406 173 I HA -0.041 4.129 4.170 -0.001 0.000 0.249 173 I C 2.217 178.179 176.117 -0.260 0.000 1.122 173 I CA 0.896 62.087 61.300 -0.181 0.000 1.431 173 I CB -0.792 37.200 38.000 -0.014 0.000 1.087 173 I HN 0.274 nan 8.210 nan 0.000 0.424 174 R N 0.999 121.299 120.500 -0.333 0.000 2.148 174 R HA -0.006 4.334 4.340 -0.001 0.000 0.223 174 R C 0.146 176.281 176.300 -0.275 0.000 1.088 174 R CA 0.721 56.573 56.100 -0.414 0.000 0.985 174 R CB -0.037 29.917 30.300 -0.578 0.000 0.880 174 R HN 0.380 nan 8.270 nan 0.000 0.451 175 N N 0.868 119.422 118.700 -0.242 0.000 2.735 175 N HA 0.112 4.852 4.740 -0.001 0.000 0.312 175 N C -2.188 173.193 175.510 -0.215 0.000 1.843 175 N CA -1.105 51.829 53.050 -0.193 0.000 0.945 175 N CB 1.161 39.559 38.487 -0.148 0.000 1.299 175 N HN 0.093 nan 8.380 nan 0.000 0.489 176 P HA -0.073 nan 4.420 nan 0.000 0.225 176 P C 1.293 178.445 177.300 -0.247 0.000 1.148 176 P CA 0.890 63.753 63.100 -0.396 0.000 0.779 176 P CB 0.220 31.474 31.700 -0.744 0.000 0.780 177 G N 0.265 108.965 108.800 -0.167 0.000 2.623 177 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.214 177 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.214 177 G C 1.432 176.289 174.900 -0.071 0.000 1.138 177 G CA 0.806 45.845 45.100 -0.102 0.000 0.794 177 G HN 0.471 nan 8.290 nan 0.000 0.535 178 S N -1.000 114.654 115.700 -0.077 0.000 2.589 178 S HA 0.241 4.711 4.470 -0.001 0.000 0.235 178 S C 0.342 174.922 174.600 -0.033 0.000 1.051 178 S CA -0.376 57.798 58.200 -0.044 0.000 0.978 178 S CB 0.473 63.646 63.200 -0.046 0.000 0.929 178 S HN 0.285 nan 8.310 nan 0.000 0.523 179 E N 1.721 121.883 120.200 -0.063 0.000 2.183 179 E HA 0.294 4.643 4.350 -0.001 0.000 0.250 179 E C -0.311 176.261 176.600 -0.047 0.000 0.901 179 E CA -0.277 56.098 56.400 -0.041 0.000 0.741 179 E CB 1.170 30.828 29.700 -0.070 0.000 1.182 179 E HN 0.372 nan 8.360 nan 0.000 0.425 180 E N 1.062 121.288 120.200 0.044 0.000 2.187 180 E HA -0.275 4.074 4.350 -0.001 0.000 0.199 180 E C 1.195 177.787 176.600 -0.014 0.000 1.004 180 E CA 1.313 57.761 56.400 0.081 0.000 0.813 180 E CB -0.074 29.787 29.700 0.269 0.000 0.736 180 E HN 0.520 nan 8.360 nan 0.000 0.468 181 Y N 0.884 121.003 120.300 -0.302 0.000 2.352 181 Y HA -0.090 4.460 4.550 -0.001 0.000 0.292 181 Y C 2.210 177.878 175.900 -0.387 0.000 1.136 181 Y CA 1.299 59.041 58.100 -0.597 0.000 1.227 181 Y CB -0.498 37.503 38.460 -0.766 0.000 0.991 181 Y HN -0.013 nan 8.280 nan 0.000 0.545 182 G N -0.160 108.433 108.800 -0.344 0.000 2.433 182 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.216 182 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.216 182 G C 1.741 176.171 174.900 -0.783 0.000 1.186 182 G CA 0.963 45.732 45.100 -0.552 0.000 0.779 182 G HN 0.320 nan 8.290 nan 0.000 0.543 183 R N 0.534 120.696 120.500 -0.563 0.000 2.081 183 R HA -0.057 4.282 4.340 -0.001 0.000 0.235 183 R C 2.512 178.660 176.300 -0.254 0.000 1.131 183 R CA 2.191 58.035 56.100 -0.426 0.000 0.960 183 R CB -0.858 29.311 30.300 -0.218 0.000 0.856 183 R HN 0.492 nan 8.270 nan 0.000 0.436 184 Q N -0.825 118.817 119.800 -0.262 0.000 2.124 184 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 184 Q C 1.429 177.326 176.000 -0.171 0.000 0.977 184 Q CA 2.172 57.848 55.803 -0.211 0.000 0.850 184 Q CB -0.080 28.507 28.738 -0.252 0.000 0.901 184 Q HN 0.424 nan 8.270 nan 0.000 0.429 185 T N 0.587 114.941 114.554 -0.333 0.000 2.788 185 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 185 T C 1.229 176.160 174.700 0.385 0.000 1.044 185 T CA 1.045 63.079 62.100 -0.110 0.000 1.139 185 T CB -0.236 68.502 68.868 -0.217 0.000 0.867 185 T HN 0.243 nan 8.240 nan 0.000 0.454 186 F N 2.031 122.050 119.950 0.115 0.000 2.102 186 F HA -0.073 4.454 4.527 -0.001 0.000 0.298 186 F C 2.832 178.810 175.800 0.298 0.000 1.105 186 F CA 0.767 58.908 58.000 0.234 0.000 1.239 186 F CB -1.734 37.306 39.000 0.068 0.000 0.991 186 F HN 0.143 nan 8.300 nan 0.000 0.474 187 T N -1.590 113.202 114.554 0.396 0.000 2.746 187 T HA -0.256 4.093 4.350 -0.001 0.000 0.267 187 T C 1.789 176.806 174.700 0.528 0.000 1.039 187 T CA 1.868 64.195 62.100 0.378 0.000 1.142 187 T CB -0.595 68.301 68.868 0.047 0.000 0.866 187 T HN 0.374 nan 8.240 nan 0.000 0.444 188 H N 1.253 120.489 119.070 0.276 0.000 2.293 188 H HA 0.042 4.597 4.556 -0.001 0.000 0.300 188 H C 2.295 177.708 175.328 0.141 0.000 1.082 188 H CA 1.734 57.907 56.048 0.209 0.000 1.308 188 H CB -0.414 29.436 29.762 0.147 0.000 1.375 188 H HN 0.300 nan 8.280 nan 0.000 0.495 189 A N 0.714 123.793 122.820 0.431 0.000 1.902 189 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 189 A C 2.536 180.220 177.584 0.166 0.000 1.181 189 A CA 1.708 53.947 52.037 0.337 0.000 0.623 189 A CB -0.854 18.384 19.000 0.398 0.000 0.818 189 A HN 0.552 nan 8.150 nan 0.000 0.443 190 I N -0.205 120.489 120.570 0.205 0.000 2.361 190 I HA -0.215 3.955 4.170 -0.001 0.000 0.251 190 I C 2.656 178.680 176.117 -0.154 0.000 1.133 190 I CA 0.960 62.288 61.300 0.047 0.000 1.413 190 I CB -0.606 37.493 38.000 0.166 0.000 1.073 190 I HN 0.410 nan 8.210 nan 0.000 0.424 191 G N 0.266 108.972 108.800 -0.157 0.000 2.446 191 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 191 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 191 G C 1.506 176.264 174.900 -0.237 0.000 1.168 191 G CA 0.805 45.644 45.100 -0.436 0.000 0.771 191 G HN 0.348 nan 8.290 nan 0.000 0.551 192 H N 0.860 119.875 119.070 -0.092 0.000 2.321 192 H HA 0.016 4.572 4.556 -0.001 0.000 0.300 192 H C 2.926 178.276 175.328 0.037 0.000 1.087 192 H CA 1.184 57.215 56.048 -0.028 0.000 1.319 192 H CB -0.719 28.962 29.762 -0.134 0.000 1.379 192 H HN 0.377 nan 8.280 nan 0.000 0.501 193 A N 0.589 123.486 122.820 0.128 0.000 2.178 193 A HA -0.055 4.264 4.320 -0.001 0.000 0.218 193 A C 2.395 180.106 177.584 0.212 0.000 1.157 193 A CA 0.840 52.962 52.037 0.143 0.000 0.689 193 A CB -0.582 18.459 19.000 0.069 0.000 0.787 193 A HN 0.318 nan 8.150 nan 0.000 0.465 194 L N -2.514 118.765 121.223 0.093 0.000 2.590 194 L HA 0.290 4.629 4.340 -0.001 0.000 0.227 194 L C 1.584 178.500 176.870 0.077 0.000 1.099 194 L CA 0.636 55.560 54.840 0.140 0.000 0.872 194 L CB 0.336 42.360 42.059 -0.059 0.000 1.088 194 L HN 0.528 nan 8.230 nan 0.000 0.479 195 G N 0.007 108.820 108.800 0.022 0.000 2.205 195 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.180 195 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.180 195 G C 0.060 174.910 174.900 -0.083 0.000 1.004 195 G CA -0.626 44.425 45.100 -0.082 0.000 0.670 195 G HN 0.078 nan 8.290 nan 0.000 0.496 196 L N 1.095 122.329 121.223 0.018 0.000 2.350 196 L HA 0.748 5.087 4.340 -0.001 0.000 0.275 196 L C 0.850 177.846 176.870 0.211 0.000 1.099 196 L CA -0.162 54.695 54.840 0.029 0.000 0.808 196 L CB 1.460 43.493 42.059 -0.043 0.000 1.149 196 L HN 0.307 nan 8.230 nan 0.000 0.442 197 A N 1.764 124.670 122.820 0.143 0.000 2.309 197 A HA 0.528 4.848 4.320 -0.001 0.000 0.317 197 A C -0.612 177.057 177.584 0.141 0.000 1.134 197 A CA -0.610 51.544 52.037 0.196 0.000 0.866 197 A CB 0.461 19.511 19.000 0.083 0.000 1.329 197 A HN 0.789 nan 8.150 nan 0.000 0.477 198 H N 0.040 119.163 119.070 0.088 0.000 2.790 198 H HA 0.126 4.682 4.556 -0.001 0.000 0.358 198 H C -1.606 173.651 175.328 -0.119 0.000 1.103 198 H CA -1.405 54.586 56.048 -0.096 0.000 1.426 198 H CB 0.577 30.056 29.762 -0.471 0.000 1.424 198 H HN 0.369 nan 8.280 nan 0.000 0.599 199 P HA -0.068 nan 4.420 nan 0.000 0.226 199 P C 0.172 177.555 177.300 0.138 0.000 1.146 199 P CA 0.993 64.233 63.100 0.234 0.000 0.773 199 P CB 0.482 32.373 31.700 0.317 0.000 0.772 200 G N -1.250 107.415 108.800 -0.225 0.000 2.694 200 G HA2 0.280 4.240 3.960 -0.001 0.000 0.290 200 G HA3 0.280 4.240 3.960 -0.001 0.000 0.290 200 G C -1.065 173.527 174.900 -0.514 0.000 1.386 200 G CA -0.412 44.554 45.100 -0.223 0.000 0.872 200 G HN -0.310 nan 8.290 nan 0.000 0.475 201 E N 0.913 121.028 120.200 -0.143 0.000 1.858 201 E HA 0.218 4.567 4.350 -0.001 0.000 0.278 201 E C -1.036 175.597 176.600 0.056 0.000 1.172 201 E CA 0.238 56.597 56.400 -0.069 0.000 1.127 201 E CB -0.446 29.268 29.700 0.023 0.000 1.084 201 E HN 0.451 nan 8.360 nan 0.000 0.455 202 Y N -0.996 119.379 120.300 0.124 0.000 2.609 202 Y HA 0.655 5.205 4.550 -0.001 0.000 0.336 202 Y C -0.659 175.323 175.900 0.136 0.000 1.129 202 Y CA -1.483 56.700 58.100 0.138 0.000 1.040 202 Y CB 1.439 40.020 38.460 0.202 0.000 1.310 202 Y HN -0.048 nan 8.280 nan 0.000 0.460 203 N N 0.257 119.234 118.700 0.461 0.000 2.710 203 N HA 0.624 5.363 4.740 -0.001 0.000 0.257 203 N C -1.527 174.280 175.510 0.496 0.000 1.327 203 N CA -0.186 53.147 53.050 0.472 0.000 0.861 203 N CB 2.683 41.324 38.487 0.257 0.000 1.532 203 N HN 1.200 nan 8.380 nan 0.000 0.499 204 A N 0.037 123.167 122.820 0.517 0.000 2.462 204 A HA 0.511 4.831 4.320 -0.001 0.000 0.243 204 A C 1.329 179.014 177.584 0.168 0.000 1.076 204 A CA 1.191 53.394 52.037 0.276 0.000 0.773 204 A CB -0.482 18.639 19.000 0.202 0.000 1.010 204 A HN 1.296 nan 8.150 nan 0.000 0.493 205 G N 1.089 109.958 108.800 0.115 0.000 2.317 205 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.227 205 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.227 205 G C 0.100 175.041 174.900 0.069 0.000 1.042 205 G CA 0.359 45.500 45.100 0.067 0.000 0.623 205 G HN 0.853 nan 8.290 nan 0.000 0.509 206 E N 1.595 121.858 120.200 0.105 0.000 2.105 206 E HA 0.450 4.799 4.350 -0.001 0.000 0.285 206 E C 1.311 177.978 176.600 0.111 0.000 1.055 206 E CA 0.089 56.548 56.400 0.099 0.000 0.843 206 E CB 0.774 30.546 29.700 0.119 0.000 1.067 206 E HN 1.143 nan 8.360 nan 0.000 0.398 207 G N 4.650 113.496 108.800 0.077 0.000 2.627 207 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.312 207 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.312 207 G C -0.137 174.813 174.900 0.083 0.000 1.299 207 G CA 0.591 45.733 45.100 0.071 0.000 0.989 207 G HN 0.793 nan 8.290 nan 0.000 0.547 208 D N 0.161 120.612 120.400 0.086 0.000 2.714 208 D HA 0.347 4.987 4.640 -0.001 0.000 0.264 208 D C -2.023 174.336 176.300 0.098 0.000 1.231 208 D CA -0.685 53.368 54.000 0.088 0.000 0.802 208 D CB 0.736 41.566 40.800 0.050 0.000 1.319 208 D HN 0.573 nan 8.370 nan 0.000 0.528 209 P HA 0.209 nan 4.420 nan 0.000 0.271 209 P C -0.043 177.294 177.300 0.061 0.000 1.244 209 P CA 0.007 63.211 63.100 0.173 0.000 0.793 209 P CB 1.117 33.023 31.700 0.345 0.000 0.984 210 S N -1.160 114.327 115.700 -0.355 0.000 2.688 210 S HA 0.164 4.633 4.470 -0.001 0.000 0.275 210 S C 0.547 174.152 174.600 -1.658 0.000 1.175 210 S CA -0.640 56.965 58.200 -0.992 0.000 0.818 210 S CB 0.479 63.400 63.200 -0.466 0.000 1.157 210 S HN 0.452 nan 8.310 nan 0.000 0.482 211 Y N 1.901 121.070 120.300 -1.884 0.000 2.315 211 Y HA -0.066 4.484 4.550 -0.001 0.000 0.288 211 Y C 1.815 177.274 175.900 -0.735 0.000 1.154 211 Y CA 2.123 59.287 58.100 -1.561 0.000 1.229 211 Y CB -0.595 37.329 38.460 -0.893 0.000 0.980 211 Y HN 0.685 nan 8.280 nan 0.000 0.540 212 N N 0.362 118.710 118.700 -0.587 0.000 2.364 212 N HA -0.156 4.584 4.740 -0.001 0.000 0.183 212 N C 0.702 175.993 175.510 -0.365 0.000 1.022 212 N CA 1.456 54.255 53.050 -0.417 0.000 0.883 212 N CB -0.225 38.113 38.487 -0.247 0.000 0.965 212 N HN 0.510 nan 8.380 nan 0.000 0.438 213 D N 0.578 120.766 120.400 -0.353 0.000 2.349 213 D HA 0.088 4.728 4.640 -0.001 0.000 0.215 213 D C 0.542 176.804 176.300 -0.064 0.000 1.016 213 D CA 0.015 53.931 54.000 -0.141 0.000 0.870 213 D CB -0.017 40.775 40.800 -0.013 0.000 0.917 213 D HN 0.114 nan 8.370 nan 0.000 0.524 214 A N 0.610 123.292 122.820 -0.231 0.000 2.540 214 A HA 0.098 4.418 4.320 -0.001 0.000 0.239 214 A C 1.656 179.156 177.584 -0.140 0.000 1.061 214 A CA -0.201 51.766 52.037 -0.116 0.000 0.758 214 A CB 0.635 19.391 19.000 -0.407 0.000 0.991 214 A HN 0.010 nan 8.150 nan 0.000 0.502 215 V N 1.956 121.858 119.914 -0.020 0.000 2.453 215 V HA -0.057 4.062 4.120 -0.001 0.000 0.247 215 V C 0.694 176.730 176.094 -0.097 0.000 1.048 215 V CA 2.192 64.493 62.300 0.002 0.000 1.049 215 V CB -1.610 30.292 31.823 0.132 0.000 0.672 215 V HN 0.875 nan 8.190 nan 0.000 0.457 216 Y N -4.061 116.011 120.300 -0.381 0.000 2.581 216 Y HA 0.783 5.333 4.550 -0.001 0.000 0.345 216 Y C 0.925 176.662 175.900 -0.271 0.000 1.036 216 Y CA -0.653 57.142 58.100 -0.509 0.000 1.042 216 Y CB 1.293 39.077 38.460 -1.126 0.000 1.289 216 Y HN -0.186 nan 8.280 nan 0.000 0.471 217 A N 0.741 123.476 122.820 -0.142 0.000 1.940 217 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 217 A C 1.229 178.760 177.584 -0.088 0.000 1.176 217 A CA 1.939 53.938 52.037 -0.063 0.000 0.631 217 A CB -0.749 18.259 19.000 0.013 0.000 0.814 217 A HN 0.848 nan 8.150 nan 0.000 0.446 218 E N 0.649 120.700 120.200 -0.248 0.000 2.438 218 E HA 0.042 4.391 4.350 -0.001 0.000 0.192 218 E C -0.242 176.157 176.600 -0.334 0.000 1.110 218 E CA 0.135 56.212 56.400 -0.539 0.000 0.893 218 E CB -0.198 29.007 29.700 -0.826 0.000 0.990 218 E HN 0.459 nan 8.360 nan 0.000 0.490 219 D N 1.213 121.354 120.400 -0.432 0.000 2.517 219 D HA 0.089 4.728 4.640 -0.001 0.000 0.220 219 D C -0.779 175.707 176.300 0.310 0.000 1.158 219 D CA -0.206 53.684 54.000 -0.182 0.000 0.992 219 D CB -0.287 40.338 40.800 -0.292 0.000 1.058 219 D HN 0.047 nan 8.370 nan 0.000 0.516 220 S N 1.586 117.475 115.700 0.316 0.000 2.615 220 S HA 0.217 4.687 4.470 -0.001 0.000 0.269 220 S C 0.823 175.639 174.600 0.361 0.000 1.161 220 S CA -0.842 57.517 58.200 0.265 0.000 0.817 220 S CB 0.188 63.475 63.200 0.145 0.000 1.131 220 S HN 0.283 nan 8.310 nan 0.000 0.467 221 Y N 0.565 120.986 120.300 0.201 0.000 2.384 221 Y HA -0.210 4.340 4.550 -0.001 0.000 0.289 221 Y C 2.793 178.816 175.900 0.205 0.000 1.152 221 Y CA 1.247 59.475 58.100 0.213 0.000 1.258 221 Y CB -0.019 38.560 38.460 0.198 0.000 0.979 221 Y HN 0.798 nan 8.280 nan 0.000 0.549 222 Q N 0.086 120.021 119.800 0.224 0.000 2.167 222 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 222 Q C 1.050 176.993 176.000 -0.096 0.000 0.970 222 Q CA 1.625 57.412 55.803 -0.028 0.000 0.855 222 Q CB -0.064 28.363 28.738 -0.517 0.000 0.911 222 Q HN 0.499 nan 8.270 nan 0.000 0.438 223 F N -1.222 118.886 119.950 0.263 0.000 2.602 223 F HA 0.298 4.825 4.527 -0.001 0.000 0.284 223 F C 0.599 176.588 175.800 0.314 0.000 1.111 223 F CA -0.192 58.003 58.000 0.324 0.000 1.405 223 F CB 1.068 40.240 39.000 0.288 0.000 1.121 223 F HN -0.163 nan 8.300 nan 0.000 0.603 224 S N 0.146 116.143 115.700 0.494 0.000 2.572 224 S HA 0.388 4.858 4.470 -0.001 0.000 0.274 224 S C 0.214 175.064 174.600 0.417 0.000 1.150 224 S CA -0.695 57.753 58.200 0.414 0.000 0.944 224 S CB 0.781 64.230 63.200 0.415 0.000 1.071 224 S HN 0.220 nan 8.310 nan 0.000 0.479 225 I N 2.842 123.608 120.570 0.327 0.000 3.444 225 I HA 0.250 4.419 4.170 -0.001 0.000 0.287 225 I C 1.364 177.763 176.117 0.470 0.000 1.302 225 I CA 0.784 62.265 61.300 0.303 0.000 1.368 225 I CB -0.319 37.765 38.000 0.139 0.000 1.048 225 I HN 0.493 nan 8.210 nan 0.000 0.487 226 M N 0.164 120.005 119.600 0.402 0.000 2.558 226 M HA 0.190 4.669 4.480 -0.001 0.000 0.255 226 M C 1.244 177.833 176.300 0.482 0.000 1.113 226 M CA 0.232 55.722 55.300 0.318 0.000 1.097 226 M CB -1.060 31.640 32.600 0.167 0.000 1.426 226 M HN 0.442 nan 8.290 nan 0.000 0.488 227 S N -0.763 115.208 115.700 0.452 0.000 2.617 227 S HA 0.149 4.618 4.470 -0.001 0.000 0.259 227 S C 0.779 175.514 174.600 0.225 0.000 1.301 227 S CA -0.188 58.174 58.200 0.271 0.000 0.984 227 S CB 0.848 64.197 63.200 0.249 0.000 0.954 227 S HN 0.443 nan 8.310 nan 0.000 0.572 228 Y N -0.609 119.284 120.300 -0.678 0.000 2.444 228 Y HA 0.229 4.778 4.550 -0.001 0.000 0.252 228 Y C -0.182 175.110 175.900 -1.013 0.000 1.091 228 Y CA -0.893 56.609 58.100 -0.996 0.000 1.276 228 Y CB 0.506 37.847 38.460 -1.863 0.000 1.170 228 Y HN 0.603 nan 8.280 nan 0.000 0.517 229 W N 1.332 122.513 121.300 -0.198 0.000 2.417 229 W HA 0.523 5.182 4.660 -0.001 0.000 0.317 229 W C 0.654 176.690 176.519 -0.806 0.000 1.121 229 W CA -1.175 55.940 57.345 -0.385 0.000 1.208 229 W CB 0.514 29.897 29.460 -0.130 0.000 1.253 229 W HN -0.086 nan 8.180 nan 0.000 0.533 230 G N 1.876 110.440 108.800 -0.392 0.000 2.630 230 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.236 230 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.236 230 G C 1.045 175.781 174.900 -0.272 0.000 1.248 230 G CA -0.347 44.524 45.100 -0.382 0.000 0.844 230 G HN 0.715 nan 8.290 nan 0.000 0.588 231 E N 0.792 120.865 120.200 -0.211 0.000 2.268 231 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 231 E C 1.653 178.058 176.600 -0.326 0.000 0.995 231 E CA 1.400 57.611 56.400 -0.315 0.000 0.836 231 E CB -0.567 28.672 29.700 -0.767 0.000 0.763 231 E HN 0.738 nan 8.360 nan 0.000 0.491 232 N N 1.170 119.697 118.700 -0.288 0.000 2.309 232 N HA -0.172 4.568 4.740 -0.001 0.000 0.182 232 N C 1.541 176.898 175.510 -0.254 0.000 1.018 232 N CA 1.036 53.945 53.050 -0.235 0.000 0.876 232 N CB -0.111 38.263 38.487 -0.189 0.000 0.972 232 N HN 0.025 nan 8.380 nan 0.000 0.434 233 E N 0.027 120.015 120.200 -0.353 0.000 2.204 233 E HA -0.121 4.229 4.350 -0.001 0.000 0.195 233 E C 1.158 177.455 176.600 -0.504 0.000 0.990 233 E CA 1.641 57.679 56.400 -0.603 0.000 0.821 233 E CB -0.341 28.712 29.700 -1.079 0.000 0.750 233 E HN 0.781 nan 8.360 nan 0.000 0.477 234 T N -3.760 110.633 114.554 -0.269 0.000 3.134 234 T HA 0.445 4.794 4.350 -0.001 0.000 0.260 234 T C 1.256 175.975 174.700 0.032 0.000 1.027 234 T CA 0.371 62.436 62.100 -0.059 0.000 0.913 234 T CB 0.771 69.714 68.868 0.124 0.000 1.046 234 T HN 0.188 nan 8.240 nan 0.000 0.553 235 G N 0.859 109.628 108.800 -0.052 0.000 2.175 235 G HA2 0.005 3.965 3.960 -0.001 0.000 0.244 235 G HA3 0.005 3.965 3.960 -0.001 0.000 0.244 235 G C 0.305 175.206 174.900 0.002 0.000 0.982 235 G CA -0.206 44.893 45.100 -0.001 0.000 0.641 235 G HN 1.101 nan 8.290 nan 0.000 0.527 236 A N -0.496 122.256 122.820 -0.113 0.000 2.257 236 A HA 0.710 5.030 4.320 -0.001 0.000 0.289 236 A C -0.125 177.319 177.584 -0.232 0.000 1.095 236 A CA 0.426 52.360 52.037 -0.172 0.000 0.836 236 A CB 1.044 19.819 19.000 -0.376 0.000 1.111 236 A HN 0.595 nan 8.150 nan 0.000 0.497 237 D N -1.041 119.254 120.400 -0.176 0.000 2.613 237 D HA 0.321 4.960 4.640 -0.001 0.000 0.230 237 D C -1.478 174.883 176.300 0.101 0.000 1.365 237 D CA -0.237 53.691 54.000 -0.121 0.000 0.976 237 D CB 0.523 41.303 40.800 -0.034 0.000 1.415 237 D HN 0.281 nan 8.370 nan 0.000 0.589 238 Y N 2.327 122.600 120.300 -0.044 0.000 2.571 238 Y HA 0.235 4.785 4.550 -0.001 0.000 0.275 238 Y C 1.236 177.143 175.900 0.012 0.000 1.179 238 Y CA -0.892 57.192 58.100 -0.027 0.000 1.242 238 Y CB -0.881 37.557 38.460 -0.036 0.000 1.126 238 Y HN 0.482 nan 8.280 nan 0.000 0.524 239 N N 1.322 120.083 118.700 0.102 0.000 2.714 239 N HA -0.214 4.525 4.740 -0.001 0.000 0.252 239 N C 1.175 176.642 175.510 -0.072 0.000 1.014 239 N CA 1.410 54.480 53.050 0.034 0.000 0.735 239 N CB -1.008 37.529 38.487 0.082 0.000 0.924 239 N HN 0.737 nan 8.380 nan 0.000 0.540 240 G N -1.855 106.860 108.800 -0.141 0.000 2.176 240 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.253 240 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.253 240 G C 0.052 174.702 174.900 -0.417 0.000 0.979 240 G CA 0.489 45.424 45.100 -0.275 0.000 0.641 240 G HN 0.719 nan 8.290 nan 0.000 0.530 241 H N -0.933 118.029 119.070 -0.180 0.000 2.495 241 H HA 0.602 5.158 4.556 -0.001 0.000 0.350 241 H C -0.593 174.544 175.328 -0.319 0.000 1.202 241 H CA 0.113 56.075 56.048 -0.144 0.000 1.322 241 H CB 0.912 30.649 29.762 -0.041 0.000 1.544 241 H HN 0.214 nan 8.280 nan 0.000 0.565 242 Y N -0.992 119.438 120.300 0.216 0.000 2.361 242 Y HA 0.199 4.748 4.550 -0.001 0.000 0.337 242 Y C 1.328 177.250 175.900 0.036 0.000 0.965 242 Y CA -0.509 57.668 58.100 0.129 0.000 1.091 242 Y CB 1.851 40.372 38.460 0.103 0.000 1.182 242 Y HN 0.840 nan 8.280 nan 0.000 0.450 243 G N 1.654 110.515 108.800 0.102 0.000 2.491 243 G HA2 0.025 3.985 3.960 -0.001 0.000 0.218 243 G HA3 0.025 3.985 3.960 -0.001 0.000 0.218 243 G C 1.556 176.417 174.900 -0.064 0.000 1.180 243 G CA 1.051 46.135 45.100 -0.026 0.000 0.774 243 G HN 1.381 nan 8.290 nan 0.000 0.562 244 G N -1.392 107.352 108.800 -0.092 0.000 2.225 244 G HA2 0.167 4.127 3.960 -0.001 0.000 0.254 244 G HA3 0.167 4.127 3.960 -0.001 0.000 0.254 244 G C 0.374 175.070 174.900 -0.340 0.000 0.988 244 G CA 1.130 46.131 45.100 -0.164 0.000 0.625 244 G HN 1.742 nan 8.290 nan 0.000 0.527 245 A N -0.136 122.396 122.820 -0.480 0.000 2.430 245 A HA 0.896 5.215 4.320 -0.001 0.000 0.300 245 A C -2.801 174.452 177.584 -0.552 0.000 1.124 245 A CA -1.424 50.140 52.037 -0.787 0.000 0.766 245 A CB 1.244 19.279 19.000 -1.608 0.000 1.328 245 A HN 0.072 nan 8.150 nan 0.000 0.424 246 P HA 0.115 nan 4.420 nan 0.000 0.264 246 P C -0.232 176.971 177.300 -0.162 0.000 1.183 246 P CA 0.455 63.257 63.100 -0.497 0.000 0.763 246 P CB 0.217 31.458 31.700 -0.765 0.000 0.807 247 M N 2.835 122.442 119.600 0.011 0.000 2.527 247 M HA 0.255 4.734 4.480 -0.001 0.000 0.283 247 M C 1.839 178.246 176.300 0.178 0.000 1.188 247 M CA -0.817 54.553 55.300 0.116 0.000 0.941 247 M CB -0.061 32.654 32.600 0.192 0.000 1.498 247 M HN 0.323 nan 8.290 nan 0.000 0.510 248 I N 1.134 121.826 120.570 0.203 0.000 2.145 248 I HA -0.357 3.813 4.170 -0.001 0.000 0.244 248 I C 1.312 177.597 176.117 0.280 0.000 1.075 248 I CA 1.966 63.403 61.300 0.228 0.000 1.332 248 I CB 0.029 38.145 38.000 0.192 0.000 1.033 248 I HN 0.594 nan 8.210 nan 0.000 0.410 249 D N 0.539 121.150 120.400 0.351 0.000 2.234 249 D HA -0.138 4.501 4.640 -0.001 0.000 0.205 249 D C 1.778 178.249 176.300 0.285 0.000 0.962 249 D CA 0.865 55.060 54.000 0.327 0.000 0.855 249 D CB -0.340 40.698 40.800 0.397 0.000 0.951 249 D HN 0.441 nan 8.370 nan 0.000 0.500 250 D N 0.446 121.024 120.400 0.297 0.000 2.117 250 D HA -0.066 4.574 4.640 -0.001 0.000 0.198 250 D C 2.302 178.800 176.300 0.330 0.000 0.982 250 D CA 0.431 54.634 54.000 0.337 0.000 0.828 250 D CB -0.021 40.976 40.800 0.328 0.000 0.967 250 D HN 0.275 nan 8.370 nan 0.000 0.464 251 I N 1.437 122.147 120.570 0.233 0.000 2.179 251 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 251 I C 2.578 178.775 176.117 0.134 0.000 1.088 251 I CA 1.046 62.446 61.300 0.165 0.000 1.357 251 I CB -0.240 37.840 38.000 0.133 0.000 1.051 251 I HN -0.087 nan 8.210 nan 0.000 0.409 252 A N 0.735 123.653 122.820 0.163 0.000 1.902 252 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 252 A C 2.544 180.203 177.584 0.124 0.000 1.181 252 A CA 1.824 53.944 52.037 0.138 0.000 0.623 252 A CB -0.813 18.276 19.000 0.148 0.000 0.818 252 A HN 0.431 nan 8.150 nan 0.000 0.443 253 A N -0.270 122.644 122.820 0.156 0.000 1.858 253 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 253 A C 2.098 179.762 177.584 0.133 0.000 1.190 253 A CA 1.755 53.875 52.037 0.139 0.000 0.617 253 A CB -0.640 18.458 19.000 0.164 0.000 0.827 253 A HN 0.580 nan 8.150 nan 0.000 0.443 254 I N 0.067 120.751 120.570 0.191 0.000 2.361 254 I HA -0.241 3.929 4.170 -0.001 0.000 0.251 254 I C 2.382 178.613 176.117 0.190 0.000 1.133 254 I CA 1.615 63.041 61.300 0.209 0.000 1.413 254 I CB -0.314 37.876 38.000 0.315 0.000 1.073 254 I HN 0.436 nan 8.210 nan 0.000 0.424 255 Q N -0.457 119.413 119.800 0.115 0.000 2.230 255 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 255 Q C 2.285 178.330 176.000 0.075 0.000 0.963 255 Q CA 0.952 56.792 55.803 0.061 0.000 0.866 255 Q CB -0.260 28.458 28.738 -0.034 0.000 0.931 255 Q HN 0.490 nan 8.270 nan 0.000 0.452 256 R N 0.939 121.486 120.500 0.079 0.000 2.081 256 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 256 R C 1.952 178.321 176.300 0.115 0.000 1.131 256 R CA 1.057 57.211 56.100 0.089 0.000 0.960 256 R CB -0.053 30.297 30.300 0.083 0.000 0.856 256 R HN 0.235 nan 8.270 nan 0.000 0.436 257 L N -1.047 120.174 121.223 -0.003 0.000 2.068 257 L HA -0.079 4.261 4.340 -0.001 0.000 0.204 257 L C 1.340 177.931 176.870 -0.465 0.000 1.076 257 L CA 1.133 55.791 54.840 -0.303 0.000 0.753 257 L CB -0.130 41.583 42.059 -0.577 0.000 0.910 257 L HN 0.235 nan 8.230 nan 0.000 0.439 258 Y N -0.608 119.709 120.300 0.028 0.000 2.481 258 Y HA 0.443 4.993 4.550 -0.001 0.000 0.247 258 Y C 1.129 177.040 175.900 0.020 0.000 1.151 258 Y CA 0.047 58.157 58.100 0.015 0.000 1.238 258 Y CB 0.580 39.041 38.460 0.001 0.000 1.179 258 Y HN 0.158 nan 8.280 nan 0.000 0.524 259 G N 1.058 109.938 108.800 0.134 0.000 2.712 259 G HA2 0.087 4.046 3.960 -0.001 0.000 0.686 259 G HA3 0.087 4.046 3.960 -0.001 0.000 0.686 259 G C -0.428 174.508 174.900 0.060 0.000 1.321 259 G CA -0.826 44.331 45.100 0.095 0.000 0.813 259 G HN 0.536 nan 8.290 nan 0.000 0.599 260 A N 0.779 123.619 122.820 0.033 0.000 2.340 260 A HA 0.662 4.982 4.320 -0.001 0.000 0.268 260 A C 0.633 178.267 177.584 0.082 0.000 1.100 260 A CA 0.057 52.066 52.037 -0.047 0.000 0.803 260 A CB 0.752 19.756 19.000 0.006 0.000 1.043 260 A HN 1.299 nan 8.150 nan 0.000 0.488 261 N N 2.473 121.224 118.700 0.085 0.000 2.469 261 N HA 0.176 4.915 4.740 -0.001 0.000 0.239 261 N C 0.227 176.008 175.510 0.452 0.000 1.053 261 N CA -0.369 52.818 53.050 0.228 0.000 0.937 261 N CB 0.538 39.142 38.487 0.195 0.000 1.163 261 N HN 0.476 nan 8.380 nan 0.000 0.509 262 M N 1.641 121.431 119.600 0.317 0.000 2.568 262 M HA 0.028 4.507 4.480 -0.001 0.000 0.226 262 M C 1.299 177.703 176.300 0.174 0.000 1.148 262 M CA 0.350 55.813 55.300 0.271 0.000 1.007 262 M CB -1.379 31.334 32.600 0.188 0.000 1.651 262 M HN 0.505 nan 8.290 nan 0.000 0.488 263 T N -3.630 111.033 114.554 0.181 0.000 3.069 263 T HA 0.129 4.478 4.350 -0.001 0.000 0.252 263 T C 0.636 175.413 174.700 0.128 0.000 1.053 263 T CA -0.104 62.069 62.100 0.122 0.000 0.964 263 T CB -0.169 68.760 68.868 0.101 0.000 1.005 263 T HN 0.130 nan 8.240 nan 0.000 0.532 264 T N 3.647 118.318 114.554 0.195 0.000 2.749 264 T HA 0.393 4.742 4.350 -0.001 0.000 0.295 264 T C 0.155 174.904 174.700 0.082 0.000 0.936 264 T CA -0.546 61.669 62.100 0.191 0.000 1.060 264 T CB 0.407 69.500 68.868 0.374 0.000 0.904 264 T HN 0.380 nan 8.240 nan 0.000 0.500 265 R N 1.288 121.821 120.500 0.055 0.000 3.251 265 R HA -0.176 4.163 4.340 -0.001 0.000 0.249 265 R C 1.265 177.542 176.300 -0.039 0.000 0.949 265 R CA 0.757 56.854 56.100 -0.005 0.000 0.645 265 R CB -2.116 28.183 30.300 -0.002 0.000 1.065 265 R HN 0.914 nan 8.270 nan 0.000 0.452 266 T N -3.531 111.008 114.554 -0.026 0.000 3.160 266 T HA 0.103 4.452 4.350 -0.001 0.000 0.257 266 T C 1.224 175.898 174.700 -0.044 0.000 1.147 266 T CA 0.430 62.506 62.100 -0.039 0.000 1.064 266 T CB 0.498 69.357 68.868 -0.016 0.000 0.949 266 T HN 0.484 nan 8.240 nan 0.000 0.526 267 G N 0.485 109.258 108.800 -0.046 0.000 2.531 267 G HA2 0.461 4.421 3.960 -0.001 0.000 0.281 267 G HA3 0.461 4.421 3.960 -0.001 0.000 0.281 267 G C -1.160 173.702 174.900 -0.064 0.000 1.382 267 G CA -0.800 44.269 45.100 -0.050 0.000 1.045 267 G HN 0.196 nan 8.290 nan 0.000 0.533 268 D N 0.557 120.918 120.400 -0.065 0.000 2.344 268 D HA 0.400 5.039 4.640 -0.001 0.000 0.253 268 D C -0.005 176.232 176.300 -0.104 0.000 1.255 268 D CA 0.415 54.372 54.000 -0.071 0.000 0.894 268 D CB 0.842 41.605 40.800 -0.061 0.000 1.067 268 D HN 0.123 nan 8.370 nan 0.000 0.492 269 S N 0.930 116.557 115.700 -0.122 0.000 2.525 269 S HA 0.586 5.056 4.470 -0.001 0.000 0.290 269 S C -0.067 174.356 174.600 -0.294 0.000 1.152 269 S CA -0.898 57.149 58.200 -0.255 0.000 1.072 269 S CB 1.857 64.874 63.200 -0.305 0.000 1.027 269 S HN 0.130 nan 8.310 nan 0.000 0.500 270 V N 3.382 123.042 119.914 -0.422 0.000 2.448 270 V HA 0.423 4.543 4.120 -0.001 0.000 0.295 270 V C -1.410 174.393 176.094 -0.486 0.000 1.025 270 V CA -0.683 61.445 62.300 -0.287 0.000 0.859 270 V CB 0.623 32.353 31.823 -0.155 0.000 0.988 270 V HN 0.832 nan 8.190 nan 0.000 0.431 271 Y N 2.800 123.065 120.300 -0.057 0.000 2.377 271 Y HA 0.816 5.366 4.550 -0.001 0.000 0.339 271 Y C 0.970 176.886 175.900 0.028 0.000 1.011 271 Y CA 0.710 58.751 58.100 -0.099 0.000 1.093 271 Y CB 1.952 40.334 38.460 -0.131 0.000 1.201 271 Y HN 0.957 nan 8.280 nan 0.000 0.455 272 G N 1.573 110.493 108.800 0.200 0.000 2.709 272 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.228 272 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.228 272 G C -0.811 174.066 174.900 -0.037 0.000 1.215 272 G CA -0.884 44.362 45.100 0.242 0.000 1.003 272 G HN 0.389 nan 8.290 nan 0.000 0.584 273 F N 2.657 122.653 119.950 0.076 0.000 2.410 273 F HA 0.462 4.989 4.527 -0.001 0.000 0.334 273 F C 1.627 177.406 175.800 -0.035 0.000 1.134 273 F CA 0.688 58.679 58.000 -0.014 0.000 1.227 273 F CB 0.529 39.495 39.000 -0.057 0.000 1.194 273 F HN 0.531 nan 8.300 nan 0.000 0.571 274 N N -0.029 118.745 118.700 0.123 0.000 2.708 274 N HA -0.230 4.510 4.740 -0.001 0.000 0.249 274 N C -0.156 175.336 175.510 -0.030 0.000 1.097 274 N CA 0.734 53.805 53.050 0.035 0.000 0.710 274 N CB -1.293 37.216 38.487 0.036 0.000 1.032 274 N HN 0.466 nan 8.380 nan 0.000 0.551 275 S N 0.885 116.548 115.700 -0.063 0.000 2.572 275 S HA 0.220 4.689 4.470 -0.001 0.000 0.279 275 S C 1.182 175.690 174.600 -0.152 0.000 1.341 275 S CA -0.190 57.925 58.200 -0.141 0.000 1.043 275 S CB 0.511 63.614 63.200 -0.160 0.000 0.887 275 S HN 0.449 nan 8.310 nan 0.000 0.516 276 N N 1.603 120.177 118.700 -0.210 0.000 2.282 276 N HA 0.039 4.778 4.740 -0.001 0.000 0.240 276 N C 0.835 176.226 175.510 -0.200 0.000 1.182 276 N CA 0.254 53.201 53.050 -0.172 0.000 0.874 276 N CB -0.249 38.147 38.487 -0.152 0.000 1.126 276 N HN 0.586 nan 8.380 nan 0.000 0.516 277 T N -3.719 110.685 114.554 -0.250 0.000 3.043 277 T HA -0.038 4.312 4.350 -0.001 0.000 0.263 277 T C 0.504 175.127 174.700 -0.129 0.000 1.094 277 T CA 0.675 62.641 62.100 -0.223 0.000 1.127 277 T CB -0.404 68.308 68.868 -0.261 0.000 0.905 277 T HN 0.181 nan 8.240 nan 0.000 0.490 278 D N 0.883 121.208 120.400 -0.125 0.000 2.772 278 D HA -0.147 4.493 4.640 -0.001 0.000 0.233 278 D C -0.855 175.372 176.300 -0.121 0.000 1.143 278 D CA 0.426 54.368 54.000 -0.097 0.000 0.700 278 D CB -0.822 39.941 40.800 -0.061 0.000 1.076 278 D HN 0.394 nan 8.370 nan 0.000 0.430 279 R N 0.318 120.698 120.500 -0.199 0.000 2.502 279 R HA 0.216 4.555 4.340 -0.001 0.000 0.300 279 R C 0.994 177.044 176.300 -0.417 0.000 0.984 279 R CA -0.134 55.730 56.100 -0.394 0.000 0.882 279 R CB 1.457 31.335 30.300 -0.703 0.000 1.180 279 R HN 0.124 nan 8.270 nan 0.000 0.444 280 D N 2.834 123.074 120.400 -0.268 0.000 2.149 280 D HA -0.220 4.419 4.640 -0.001 0.000 0.198 280 D C 1.381 177.601 176.300 -0.133 0.000 0.990 280 D CA 1.458 55.373 54.000 -0.141 0.000 0.839 280 D CB -0.393 40.389 40.800 -0.030 0.000 0.948 280 D HN 0.584 nan 8.370 nan 0.000 0.460 281 F N -1.511 118.350 119.950 -0.149 0.000 2.699 281 F HA 0.165 4.691 4.527 -0.001 0.000 0.298 281 F C 1.459 177.184 175.800 -0.124 0.000 1.154 281 F CA -0.060 57.843 58.000 -0.163 0.000 1.457 281 F CB -0.927 37.925 39.000 -0.246 0.000 1.106 281 F HN -0.070 nan 8.300 nan 0.000 0.585 282 Y N 0.171 120.233 120.300 -0.396 0.000 2.467 282 Y HA 0.279 4.828 4.550 -0.001 0.000 0.250 282 Y C 0.304 176.072 175.900 -0.219 0.000 1.155 282 Y CA -0.578 57.268 58.100 -0.423 0.000 1.249 282 Y CB 0.553 38.722 38.460 -0.485 0.000 1.146 282 Y HN -0.118 nan 8.280 nan 0.000 0.524 283 T N 1.142 115.669 114.554 -0.045 0.000 2.823 283 T HA 0.687 5.036 4.350 -0.001 0.000 0.279 283 T C -0.510 174.109 174.700 -0.135 0.000 0.998 283 T CA -0.635 61.410 62.100 -0.091 0.000 0.994 283 T CB 1.642 70.440 68.868 -0.116 0.000 0.960 283 T HN 0.129 nan 8.240 nan 0.000 0.448 284 A N 1.903 124.551 122.820 -0.286 0.000 2.310 284 A HA 0.571 4.890 4.320 -0.001 0.000 0.304 284 A C 1.197 178.515 177.584 -0.443 0.000 1.231 284 A CA -0.705 51.036 52.037 -0.493 0.000 0.799 284 A CB 0.548 18.906 19.000 -1.069 0.000 1.162 284 A HN 0.891 nan 8.150 nan 0.000 0.486 285 T N -1.152 113.284 114.554 -0.197 0.000 3.043 285 T HA 0.216 4.565 4.350 -0.001 0.000 0.263 285 T C 0.326 175.053 174.700 0.046 0.000 1.094 285 T CA 1.225 63.289 62.100 -0.061 0.000 1.127 285 T CB -0.534 68.314 68.868 -0.032 0.000 0.905 285 T HN 0.808 nan 8.240 nan 0.000 0.490 286 D N -0.464 119.974 120.400 0.063 0.000 2.639 286 D HA 0.327 4.967 4.640 -0.001 0.000 0.271 286 D C 0.953 177.421 176.300 0.280 0.000 1.254 286 D CA -0.173 53.956 54.000 0.214 0.000 0.810 286 D CB 0.756 41.623 40.800 0.112 0.000 1.351 286 D HN -0.042 nan 8.370 nan 0.000 0.427 287 S N -0.452 115.416 115.700 0.279 0.000 2.440 287 S HA -0.220 4.250 4.470 -0.001 0.000 0.238 287 S C 1.598 176.386 174.600 0.314 0.000 1.010 287 S CA 1.405 59.779 58.200 0.292 0.000 0.972 287 S CB -0.919 62.384 63.200 0.172 0.000 0.774 287 S HN 0.699 nan 8.310 nan 0.000 0.501 288 S N 0.331 116.147 115.700 0.194 0.000 2.562 288 S HA 0.223 4.692 4.470 -0.001 0.000 0.221 288 S C 0.430 175.104 174.600 0.124 0.000 0.975 288 S CA -0.396 57.894 58.200 0.151 0.000 0.918 288 S CB -0.201 63.060 63.200 0.101 0.000 0.772 288 S HN 0.224 nan 8.310 nan 0.000 0.531 289 K N 2.535 123.005 120.400 0.117 0.000 2.234 289 K HA 0.626 4.945 4.320 -0.001 0.000 0.282 289 K C -0.117 176.498 176.600 0.024 0.000 1.039 289 K CA -0.080 56.221 56.287 0.023 0.000 0.928 289 K CB 1.128 33.600 32.500 -0.046 0.000 1.039 289 K HN 0.293 nan 8.250 nan 0.000 0.470 290 A N 3.942 126.659 122.820 -0.172 0.000 2.310 290 A HA 0.576 4.896 4.320 -0.001 0.000 0.299 290 A C -0.383 177.087 177.584 -0.191 0.000 1.147 290 A CA -0.631 51.239 52.037 -0.277 0.000 0.818 290 A CB 0.321 18.887 19.000 -0.723 0.000 1.096 290 A HN 0.654 nan 8.150 nan 0.000 0.495 291 L N 2.674 123.795 121.223 -0.170 0.000 2.325 291 L HA 0.552 4.891 4.340 -0.001 0.000 0.281 291 L C -0.965 175.740 176.870 -0.275 0.000 1.004 291 L CA -0.076 54.707 54.840 -0.096 0.000 0.823 291 L CB 1.411 43.463 42.059 -0.012 0.000 1.236 291 L HN 0.594 nan 8.230 nan 0.000 0.415 292 I N 5.123 125.585 120.570 -0.180 0.000 2.503 292 I HA 0.452 4.621 4.170 -0.001 0.000 0.282 292 I C -1.031 175.054 176.117 -0.054 0.000 1.059 292 I CA -0.436 60.648 61.300 -0.359 0.000 1.081 292 I CB 1.284 39.001 38.000 -0.472 0.000 1.210 292 I HN 0.424 nan 8.210 nan 0.000 0.450 293 F N 3.211 123.113 119.950 -0.080 0.000 2.770 293 F HA 0.655 5.182 4.527 -0.001 0.000 0.313 293 F C -1.249 174.598 175.800 0.078 0.000 1.154 293 F CA -1.163 56.865 58.000 0.048 0.000 0.923 293 F CB 1.497 40.659 39.000 0.270 0.000 1.301 293 F HN 0.139 nan 8.300 nan 0.000 0.449 294 S N 1.935 117.928 115.700 0.488 0.000 2.596 294 S HA 0.621 5.090 4.470 -0.001 0.000 0.318 294 S C -1.462 173.477 174.600 0.565 0.000 1.097 294 S CA -0.602 57.814 58.200 0.360 0.000 1.080 294 S CB 1.062 64.371 63.200 0.181 0.000 0.991 294 S HN 1.114 nan 8.310 nan 0.000 0.471 295 V N 7.597 127.842 119.914 0.551 0.000 2.583 295 V HA 0.529 4.649 4.120 -0.001 0.000 0.287 295 V C -0.607 175.666 176.094 0.299 0.000 1.051 295 V CA -0.530 61.965 62.300 0.325 0.000 1.010 295 V CB 0.990 32.705 31.823 -0.179 0.000 0.988 295 V HN 0.914 nan 8.190 nan 0.000 0.478 296 W N 7.581 128.974 121.300 0.155 0.000 2.532 296 W HA 0.548 5.207 4.660 -0.001 0.000 0.321 296 W C -1.477 175.097 176.519 0.092 0.000 1.037 296 W CA -0.692 56.733 57.345 0.133 0.000 1.220 296 W CB 1.698 31.276 29.460 0.197 0.000 1.361 296 W HN 0.671 nan 8.180 nan 0.000 0.468 297 D N 3.808 123.699 120.400 -0.848 0.000 2.990 297 D HA 0.384 5.023 4.640 -0.001 0.000 0.227 297 D C -0.524 175.282 176.300 -0.823 0.000 1.249 297 D CA -0.228 53.423 54.000 -0.582 0.000 0.891 297 D CB 2.439 43.079 40.800 -0.268 0.000 1.647 297 D HN 0.434 nan 8.370 nan 0.000 0.530 298 A N 2.029 124.528 122.820 -0.534 0.000 2.423 298 A HA 0.644 4.964 4.320 -0.001 0.000 0.246 298 A C 0.741 178.211 177.584 -0.191 0.000 1.278 298 A CA 0.602 52.415 52.037 -0.373 0.000 0.903 298 A CB 0.056 18.983 19.000 -0.122 0.000 0.997 298 A HN 0.694 nan 8.150 nan 0.000 0.510 299 G N -2.847 105.848 108.800 -0.175 0.000 2.328 299 G HA2 0.596 4.556 3.960 -0.001 0.000 0.299 299 G HA3 0.596 4.556 3.960 -0.001 0.000 0.299 299 G C 0.025 174.872 174.900 -0.089 0.000 1.435 299 G CA 0.231 45.266 45.100 -0.110 0.000 0.865 299 G HN 2.052 nan 8.290 nan 0.000 0.601 300 G N -1.464 107.294 108.800 -0.071 0.000 2.685 300 G HA2 0.358 4.318 3.960 -0.001 0.000 0.387 300 G HA3 0.358 4.318 3.960 -0.001 0.000 0.387 300 G C -0.214 174.648 174.900 -0.063 0.000 1.324 300 G CA 0.196 45.260 45.100 -0.060 0.000 0.878 300 G HN 1.659 nan 8.290 nan 0.000 0.527 301 T N 2.459 116.980 114.554 -0.055 0.000 2.753 301 T HA 0.563 4.912 4.350 -0.001 0.000 0.297 301 T C -0.436 174.233 174.700 -0.052 0.000 0.981 301 T CA -0.312 61.757 62.100 -0.053 0.000 0.956 301 T CB 0.825 69.667 68.868 -0.042 0.000 0.936 301 T HN 0.538 nan 8.240 nan 0.000 0.463 302 D N 2.407 122.774 120.400 -0.054 0.000 2.269 302 D HA 0.525 5.165 4.640 -0.001 0.000 0.244 302 D C -0.368 175.912 176.300 -0.032 0.000 0.992 302 D CA -0.478 53.507 54.000 -0.024 0.000 0.894 302 D CB 2.045 42.859 40.800 0.023 0.000 1.248 302 D HN 0.303 nan 8.370 nan 0.000 0.468 303 T N 0.673 115.244 114.554 0.030 0.000 2.886 303 T HA 0.340 4.689 4.350 -0.001 0.000 0.292 303 T C -0.421 174.391 174.700 0.186 0.000 1.012 303 T CA -0.550 61.570 62.100 0.034 0.000 0.982 303 T CB 1.027 69.896 68.868 0.003 0.000 1.018 303 T HN 0.187 nan 8.240 nan 0.000 0.451 304 F N 2.688 122.556 119.950 -0.137 0.000 2.335 304 F HA 0.215 4.741 4.527 -0.001 0.000 0.365 304 F C 0.509 175.932 175.800 -0.627 0.000 1.122 304 F CA -0.893 56.844 58.000 -0.438 0.000 1.151 304 F CB 0.698 39.403 39.000 -0.491 0.000 1.282 304 F HN 0.456 nan 8.300 nan 0.000 0.513 305 D N 5.357 125.588 120.400 -0.281 0.000 2.456 305 D HA 0.130 4.769 4.640 -0.001 0.000 0.219 305 D C -0.429 175.933 176.300 0.105 0.000 1.126 305 D CA -0.242 53.704 54.000 -0.090 0.000 0.890 305 D CB 0.271 41.103 40.800 0.053 0.000 1.025 305 D HN 0.213 nan 8.370 nan 0.000 0.511 306 F N 1.403 121.536 119.950 0.305 0.000 2.923 306 F HA 0.104 4.631 4.527 -0.001 0.000 0.314 306 F C 2.137 178.009 175.800 0.120 0.000 1.196 306 F CA -0.632 57.596 58.000 0.379 0.000 1.320 306 F CB -0.251 38.986 39.000 0.395 0.000 0.953 306 F HN 0.244 nan 8.300 nan 0.000 0.505 307 S N -1.102 114.618 115.700 0.032 0.000 2.481 307 S HA -0.037 4.433 4.470 -0.001 0.000 0.231 307 S C 2.126 176.417 174.600 -0.515 0.000 0.996 307 S CA 0.949 59.038 58.200 -0.186 0.000 0.942 307 S CB -0.484 62.619 63.200 -0.161 0.000 0.768 307 S HN 0.394 nan 8.310 nan 0.000 0.520 308 G N -0.458 107.517 108.800 -1.376 0.000 2.920 308 G HA2 0.217 4.177 3.960 -0.001 0.000 0.208 308 G HA3 0.217 4.177 3.960 -0.001 0.000 0.208 308 G C 0.023 174.520 174.900 -0.672 0.000 1.159 308 G CA -0.308 43.901 45.100 -1.484 0.000 0.784 308 G HN 0.570 nan 8.290 nan 0.000 0.535 309 Y N -0.300 119.897 120.300 -0.172 0.000 2.376 309 Y HA 0.374 4.923 4.550 -0.001 0.000 0.325 309 Y C 1.360 177.252 175.900 -0.015 0.000 1.199 309 Y CA -0.798 57.309 58.100 0.012 0.000 1.206 309 Y CB 2.129 40.650 38.460 0.101 0.000 1.229 309 Y HN -0.026 nan 8.280 nan 0.000 0.480 310 S N -0.156 115.656 115.700 0.186 0.000 2.512 310 S HA 0.061 4.530 4.470 -0.001 0.000 0.216 310 S C 0.174 174.811 174.600 0.063 0.000 1.006 310 S CA -0.404 57.848 58.200 0.087 0.000 0.915 310 S CB -0.106 63.129 63.200 0.059 0.000 0.824 310 S HN 0.602 nan 8.310 nan 0.000 0.497 311 N N 3.262 122.000 118.700 0.063 0.000 2.415 311 N HA 0.087 4.827 4.740 -0.001 0.000 0.248 311 N C -0.715 174.793 175.510 -0.003 0.000 1.271 311 N CA 0.152 53.203 53.050 0.000 0.000 0.913 311 N CB 0.198 38.646 38.487 -0.064 0.000 1.129 311 N HN 0.165 nan 8.380 nan 0.000 0.444 312 N N 1.960 120.642 118.700 -0.029 0.000 2.442 312 N HA 0.062 4.802 4.740 -0.001 0.000 0.265 312 N C -0.126 175.344 175.510 -0.067 0.000 1.138 312 N CA 0.206 53.232 53.050 -0.041 0.000 0.956 312 N CB 0.820 39.273 38.487 -0.057 0.000 1.067 312 N HN 0.425 nan 8.380 nan 0.000 0.474 313 Q N 1.616 121.386 119.800 -0.049 0.000 2.297 313 Q HA 0.560 4.900 4.340 -0.001 0.000 0.269 313 Q C -0.334 175.587 176.000 -0.131 0.000 1.051 313 Q CA -0.794 54.969 55.803 -0.066 0.000 0.869 313 Q CB 2.411 31.166 28.738 0.027 0.000 1.346 313 Q HN 0.273 nan 8.270 nan 0.000 0.457 314 R N 1.384 121.764 120.500 -0.200 0.000 2.473 314 R HA 0.504 4.844 4.340 -0.001 0.000 0.303 314 R C -1.042 175.241 176.300 -0.029 0.000 1.002 314 R CA -0.340 55.464 56.100 -0.493 0.000 0.884 314 R CB 1.010 30.600 30.300 -1.183 0.000 1.173 314 R HN 0.533 nan 8.270 nan 0.000 0.464 315 I N 2.283 122.998 120.570 0.242 0.000 2.389 315 I HA 0.270 4.440 4.170 -0.001 0.000 0.288 315 I C -0.308 176.207 176.117 0.663 0.000 0.999 315 I CA -0.828 60.796 61.300 0.539 0.000 1.129 315 I CB 1.687 39.998 38.000 0.519 0.000 1.288 315 I HN 0.357 nan 8.210 nan 0.000 0.444 316 N N 6.580 125.637 118.700 0.596 0.000 2.372 316 N HA 0.413 5.152 4.740 -0.001 0.000 0.285 316 N C -0.039 175.613 175.510 0.236 0.000 1.008 316 N CA -0.468 52.770 53.050 0.313 0.000 0.880 316 N CB 2.002 40.463 38.487 -0.044 0.000 1.239 316 N HN 0.597 nan 8.380 nan 0.000 0.484 317 L N 1.505 122.809 121.223 0.136 0.000 2.592 317 L HA 0.228 4.567 4.340 -0.001 0.000 0.227 317 L C 0.442 177.302 176.870 -0.016 0.000 1.127 317 L CA -0.052 54.788 54.840 -0.000 0.000 0.884 317 L CB -0.208 41.822 42.059 -0.049 0.000 1.065 317 L HN 0.383 nan 8.230 nan 0.000 0.457 318 N N 2.248 120.965 118.700 0.028 0.000 2.513 318 N HA 0.024 4.764 4.740 -0.001 0.000 0.268 318 N C -0.020 175.505 175.510 0.024 0.000 1.180 318 N CA 0.051 53.115 53.050 0.024 0.000 0.948 318 N CB 0.866 39.373 38.487 0.033 0.000 1.083 318 N HN 0.314 nan 8.380 nan 0.000 0.455 319 E N 0.218 120.433 120.200 0.025 0.000 2.442 319 E HA 0.206 4.556 4.350 -0.001 0.000 0.262 319 E C 0.883 177.539 176.600 0.094 0.000 1.004 319 E CA -0.090 56.338 56.400 0.046 0.000 0.928 319 E CB 0.249 29.972 29.700 0.038 0.000 0.937 319 E HN 0.722 nan 8.360 nan 0.000 0.446 320 G N 2.518 111.377 108.800 0.098 0.000 2.205 320 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.261 320 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.261 320 G C 0.312 175.246 174.900 0.057 0.000 0.980 320 G CA 0.428 45.595 45.100 0.112 0.000 0.632 320 G HN 1.087 nan 8.290 nan 0.000 0.533 321 S N -0.448 115.265 115.700 0.021 0.000 2.672 321 S HA 0.813 5.282 4.470 -0.001 0.000 0.276 321 S C -0.258 174.297 174.600 -0.074 0.000 1.207 321 S CA -0.711 57.518 58.200 0.048 0.000 1.002 321 S CB 1.664 64.883 63.200 0.032 0.000 0.998 321 S HN 0.411 nan 8.310 nan 0.000 0.542 322 F N 0.525 120.541 119.950 0.111 0.000 2.492 322 F HA 0.634 5.160 4.527 -0.001 0.000 0.327 322 F C 0.724 176.742 175.800 0.364 0.000 1.079 322 F CA -0.356 57.737 58.000 0.155 0.000 0.967 322 F CB 2.357 41.363 39.000 0.011 0.000 1.169 322 F HN 0.631 nan 8.300 nan 0.000 0.472 323 S N 0.486 116.490 115.700 0.506 0.000 2.599 323 S HA 0.450 4.920 4.470 -0.001 0.000 0.294 323 S C -1.704 173.111 174.600 0.358 0.000 1.094 323 S CA -0.953 57.563 58.200 0.526 0.000 0.931 323 S CB 1.710 65.134 63.200 0.373 0.000 1.093 323 S HN 0.372 nan 8.310 nan 0.000 0.488 324 D N 2.056 122.595 120.400 0.230 0.000 2.460 324 D HA 0.452 5.092 4.640 -0.001 0.000 0.232 324 D C -0.906 175.335 176.300 -0.098 0.000 1.079 324 D CA -0.062 53.978 54.000 0.068 0.000 0.864 324 D CB 1.422 42.230 40.800 0.015 0.000 1.048 324 D HN 0.115 nan 8.370 nan 0.000 0.523 325 V N 0.441 120.213 119.914 -0.237 0.000 2.628 325 V HA 0.595 4.715 4.120 -0.001 0.000 0.306 325 V C 1.184 176.938 176.094 -0.566 0.000 1.045 325 V CA -0.734 61.301 62.300 -0.442 0.000 0.905 325 V CB 1.767 33.102 31.823 -0.814 0.000 0.997 325 V HN 0.792 nan 8.190 nan 0.000 0.436 326 G N 2.899 111.212 108.800 -0.812 0.000 2.341 326 G HA2 0.052 4.012 3.960 -0.001 0.000 0.292 326 G HA3 0.052 4.012 3.960 -0.001 0.000 0.292 326 G C 1.197 175.722 174.900 -0.626 0.000 1.021 326 G CA 0.949 45.206 45.100 -1.405 0.000 0.905 326 G HN 2.351 nan 8.290 nan 0.000 0.508 327 G N -2.799 105.797 108.800 -0.340 0.000 2.225 327 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.254 327 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.254 327 G C 0.408 175.235 174.900 -0.123 0.000 0.988 327 G CA 0.819 45.811 45.100 -0.180 0.000 0.625 327 G HN 1.255 nan 8.290 nan 0.000 0.527 328 L N 0.094 121.227 121.223 -0.150 0.000 2.448 328 L HA 0.723 5.063 4.340 -0.001 0.000 0.258 328 L C 0.691 177.570 176.870 0.015 0.000 1.104 328 L CA -0.354 54.462 54.840 -0.040 0.000 0.800 328 L CB 0.846 42.876 42.059 -0.048 0.000 1.241 328 L HN 0.098 nan 8.230 nan 0.000 0.472 329 K N -0.073 120.399 120.400 0.121 0.000 2.376 329 K HA 0.524 4.843 4.320 -0.001 0.000 0.257 329 K C 0.200 176.963 176.600 0.271 0.000 0.939 329 K CA -0.226 56.170 56.287 0.182 0.000 0.809 329 K CB 1.582 34.176 32.500 0.157 0.000 1.121 329 K HN 0.745 nan 8.250 nan 0.000 0.425 330 G N 2.672 111.675 108.800 0.337 0.000 2.283 330 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.280 330 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.280 330 G C 0.443 175.560 174.900 0.362 0.000 1.029 330 G CA 0.750 46.023 45.100 0.288 0.000 0.840 330 G HN 0.844 nan 8.290 nan 0.000 0.505 331 N N -1.161 117.648 118.700 0.181 0.000 2.422 331 N HA 0.111 4.850 4.740 -0.001 0.000 0.181 331 N C 0.404 175.696 175.510 -0.362 0.000 1.080 331 N CA 0.766 53.686 53.050 -0.217 0.000 0.893 331 N CB 0.574 38.810 38.487 -0.420 0.000 0.973 331 N HN 0.405 nan 8.380 nan 0.000 0.456 332 V N 1.096 120.846 119.914 -0.273 0.000 2.656 332 V HA 0.558 4.677 4.120 -0.001 0.000 0.307 332 V C -0.431 175.501 176.094 -0.271 0.000 1.051 332 V CA -0.688 61.298 62.300 -0.522 0.000 0.893 332 V CB 1.768 33.148 31.823 -0.739 0.000 0.999 332 V HN 0.480 nan 8.190 nan 0.000 0.426 333 S N 4.732 120.251 115.700 -0.301 0.000 2.618 333 S HA 0.792 5.262 4.470 -0.001 0.000 0.277 333 S C -1.188 173.399 174.600 -0.022 0.000 1.138 333 S CA -0.830 57.133 58.200 -0.394 0.000 0.844 333 S CB 2.009 64.551 63.200 -1.097 0.000 1.127 333 S HN 0.458 nan 8.310 nan 0.000 0.474 334 I N 1.749 122.310 120.570 -0.015 0.000 2.389 334 I HA 0.578 4.747 4.170 -0.001 0.000 0.288 334 I C 0.640 176.813 176.117 0.093 0.000 0.999 334 I CA -0.910 60.452 61.300 0.103 0.000 1.129 334 I CB 1.580 39.623 38.000 0.072 0.000 1.288 334 I HN 0.968 nan 8.210 nan 0.000 0.444 335 A N 5.868 128.799 122.820 0.186 0.000 2.448 335 A HA 0.063 4.382 4.320 -0.001 0.000 0.239 335 A C 0.170 177.921 177.584 0.277 0.000 1.080 335 A CA -0.032 52.167 52.037 0.271 0.000 0.779 335 A CB 0.052 19.310 19.000 0.431 0.000 1.026 335 A HN 0.836 nan 8.150 nan 0.000 0.499 336 H N 0.126 119.325 119.070 0.216 0.000 2.848 336 H HA 0.292 4.848 4.556 -0.001 0.000 0.341 336 H C 1.315 176.804 175.328 0.268 0.000 1.060 336 H CA 1.470 57.631 56.048 0.189 0.000 1.444 336 H CB 0.414 30.272 29.762 0.160 0.000 1.446 336 H HN 1.329 nan 8.280 nan 0.000 0.583 337 G N 3.669 112.232 108.800 -0.395 0.000 2.157 337 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.239 337 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.239 337 G C -0.418 174.410 174.900 -0.120 0.000 0.982 337 G CA 0.181 45.159 45.100 -0.202 0.000 0.650 337 G HN 0.613 nan 8.290 nan 0.000 0.527 338 V N 0.693 120.535 119.914 -0.119 0.000 2.555 338 V HA 0.755 4.875 4.120 -0.001 0.000 0.302 338 V C 0.123 176.119 176.094 -0.162 0.000 1.038 338 V CA -0.279 61.896 62.300 -0.207 0.000 0.887 338 V CB 2.056 33.768 31.823 -0.186 0.000 0.991 338 V HN 0.242 nan 8.190 nan 0.000 0.434 339 T N 5.975 120.418 114.554 -0.185 0.000 2.809 339 T HA 0.550 4.899 4.350 -0.001 0.000 0.296 339 T C -0.469 174.121 174.700 -0.184 0.000 1.015 339 T CA -0.245 61.764 62.100 -0.152 0.000 0.954 339 T CB 0.517 69.315 68.868 -0.117 0.000 0.950 339 T HN 0.271 nan 8.240 nan 0.000 0.450 340 I N 3.537 123.971 120.570 -0.228 0.000 2.359 340 I HA 0.369 4.539 4.170 -0.001 0.000 0.294 340 I C 0.915 176.893 176.117 -0.231 0.000 0.987 340 I CA -0.622 60.492 61.300 -0.310 0.000 1.225 340 I CB 1.712 39.338 38.000 -0.623 0.000 1.366 340 I HN 0.620 nan 8.210 nan 0.000 0.466 341 E N 3.457 123.555 120.200 -0.170 0.000 2.127 341 E HA 0.081 4.430 4.350 -0.001 0.000 0.191 341 E C -0.151 176.404 176.600 -0.074 0.000 0.964 341 E CA 0.787 57.126 56.400 -0.103 0.000 0.832 341 E CB 0.285 29.943 29.700 -0.069 0.000 0.790 341 E HN 0.537 nan 8.360 nan 0.000 0.465 342 N N -0.261 118.391 118.700 -0.080 0.000 2.381 342 N HA 0.683 5.423 4.740 -0.001 0.000 0.294 342 N C -1.135 174.361 175.510 -0.022 0.000 1.216 342 N CA -0.589 52.446 53.050 -0.026 0.000 0.803 342 N CB 2.075 40.559 38.487 -0.005 0.000 1.372 342 N HN 0.041 nan 8.380 nan 0.000 0.500 343 A N 0.533 123.378 122.820 0.041 0.000 2.520 343 A HA 0.730 5.049 4.320 -0.001 0.000 0.298 343 A C -1.309 176.327 177.584 0.086 0.000 1.051 343 A CA -0.587 51.498 52.037 0.080 0.000 0.690 343 A CB 1.019 20.114 19.000 0.158 0.000 1.281 343 A HN 0.568 nan 8.150 nan 0.000 0.402 344 I N 2.184 122.791 120.570 0.063 0.000 2.447 344 I HA 0.510 4.679 4.170 -0.001 0.000 0.287 344 I C 0.842 177.040 176.117 0.135 0.000 1.023 344 I CA -0.588 60.757 61.300 0.074 0.000 1.083 344 I CB 2.072 40.087 38.000 0.026 0.000 1.245 344 I HN 0.799 nan 8.210 nan 0.000 0.434 345 G N 3.505 112.394 108.800 0.148 0.000 2.543 345 G HA2 0.646 4.606 3.960 -0.001 0.000 0.290 345 G HA3 0.646 4.606 3.960 -0.001 0.000 0.290 345 G C 0.123 175.102 174.900 0.131 0.000 1.310 345 G CA -0.200 45.010 45.100 0.183 0.000 1.025 345 G HN 0.699 nan 8.290 nan 0.000 0.502 346 G N -1.558 107.321 108.800 0.132 0.000 2.857 346 G HA2 0.399 4.359 3.960 -0.001 0.000 0.217 346 G HA3 0.399 4.359 3.960 -0.001 0.000 0.217 346 G C 1.282 176.206 174.900 0.040 0.000 1.357 346 G CA 0.778 45.919 45.100 0.068 0.000 1.033 346 G HN 1.111 nan 8.290 nan 0.000 0.571 347 S N -1.061 114.652 115.700 0.022 0.000 2.607 347 S HA 0.240 4.709 4.470 -0.001 0.000 0.224 347 S C 1.269 175.881 174.600 0.019 0.000 0.969 347 S CA 0.445 58.653 58.200 0.013 0.000 0.927 347 S CB -0.288 62.912 63.200 0.000 0.000 0.772 347 S HN 0.836 nan 8.310 nan 0.000 0.533 348 G N 1.373 110.192 108.800 0.032 0.000 2.563 348 G HA2 0.357 4.317 3.960 -0.001 0.000 0.283 348 G HA3 0.357 4.317 3.960 -0.001 0.000 0.283 348 G C -0.464 174.441 174.900 0.008 0.000 1.309 348 G CA -0.890 44.221 45.100 0.018 0.000 1.022 348 G HN 0.354 nan 8.290 nan 0.000 0.501 349 N N 1.702 120.397 118.700 -0.008 0.000 2.521 349 N HA 0.195 4.934 4.740 -0.001 0.000 0.236 349 N C -0.765 174.725 175.510 -0.033 0.000 1.067 349 N CA -0.045 52.993 53.050 -0.020 0.000 0.939 349 N CB 1.046 39.517 38.487 -0.027 0.000 1.201 349 N HN 0.387 nan 8.380 nan 0.000 0.511 350 D N 1.253 121.641 120.400 -0.020 0.000 2.385 350 D HA 0.471 5.110 4.640 -0.001 0.000 0.254 350 D C 0.470 176.743 176.300 -0.046 0.000 1.053 350 D CA -0.297 53.686 54.000 -0.028 0.000 0.992 350 D CB 1.951 42.769 40.800 0.030 0.000 1.145 350 D HN 0.242 nan 8.370 nan 0.000 0.523 351 I N 1.092 121.614 120.570 -0.080 0.000 2.447 351 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 351 I C -1.147 174.988 176.117 0.030 0.000 1.023 351 I CA -0.720 60.537 61.300 -0.072 0.000 1.083 351 I CB 1.468 39.335 38.000 -0.223 0.000 1.245 351 I HN -0.048 nan 8.210 nan 0.000 0.434 352 L N 7.636 128.933 121.223 0.125 0.000 2.325 352 L HA 0.518 4.858 4.340 -0.001 0.000 0.281 352 L C -0.422 176.613 176.870 0.274 0.000 1.004 352 L CA -0.523 54.446 54.840 0.215 0.000 0.823 352 L CB 1.840 44.011 42.059 0.187 0.000 1.236 352 L HN 0.223 nan 8.230 nan 0.000 0.415 353 V N 2.944 123.067 119.914 0.348 0.000 2.409 353 V HA 0.737 4.856 4.120 -0.001 0.000 0.291 353 V C 0.693 176.953 176.094 0.277 0.000 1.020 353 V CA -0.560 61.966 62.300 0.377 0.000 0.848 353 V CB 1.332 33.377 31.823 0.371 0.000 0.990 353 V HN 0.824 nan 8.190 nan 0.000 0.430 354 G N 4.058 112.991 108.800 0.222 0.000 2.525 354 G HA2 0.500 4.459 3.960 -0.001 0.000 0.287 354 G HA3 0.500 4.459 3.960 -0.001 0.000 0.287 354 G C -0.264 174.694 174.900 0.096 0.000 1.350 354 G CA -0.477 44.688 45.100 0.108 0.000 1.039 354 G HN 0.803 nan 8.290 nan 0.000 0.513 355 N N -2.974 115.750 118.700 0.039 0.000 3.184 355 N HA 0.294 5.034 4.740 -0.001 0.000 0.353 355 N C 1.129 176.648 175.510 0.014 0.000 1.441 355 N CA 0.081 53.153 53.050 0.036 0.000 0.723 355 N CB 0.568 39.062 38.487 0.011 0.000 1.547 355 N HN 0.376 nan 8.380 nan 0.000 0.624 356 S N -2.119 113.591 115.700 0.017 0.000 2.515 356 S HA 0.209 4.679 4.470 -0.001 0.000 0.231 356 S C 0.940 175.538 174.600 -0.004 0.000 0.987 356 S CA -0.023 58.184 58.200 0.012 0.000 0.936 356 S CB -0.839 62.375 63.200 0.022 0.000 0.766 356 S HN 0.815 nan 8.310 nan 0.000 0.528 357 A N 1.635 124.447 122.820 -0.013 0.000 2.280 357 A HA 0.460 4.779 4.320 -0.001 0.000 0.268 357 A C -0.293 177.279 177.584 -0.019 0.000 1.111 357 A CA -0.584 51.440 52.037 -0.021 0.000 0.814 357 A CB 0.023 19.003 19.000 -0.034 0.000 1.093 357 A HN 0.299 nan 8.150 nan 0.000 0.498 358 D N 1.156 121.544 120.400 -0.020 0.000 2.336 358 D HA 0.300 4.940 4.640 -0.001 0.000 0.249 358 D C -0.627 175.672 176.300 -0.001 0.000 1.213 358 D CA 0.560 54.553 54.000 -0.012 0.000 0.870 358 D CB 0.180 40.971 40.800 -0.015 0.000 1.076 358 D HN 0.477 nan 8.370 nan 0.000 0.483 359 N N 1.489 120.197 118.700 0.012 0.000 2.417 359 N HA 0.517 5.256 4.740 -0.001 0.000 0.300 359 N C -0.404 175.147 175.510 0.068 0.000 1.102 359 N CA -0.657 52.409 53.050 0.027 0.000 0.886 359 N CB 2.055 40.558 38.487 0.026 0.000 1.203 359 N HN 0.249 nan 8.380 nan 0.000 0.496 360 I N 2.365 122.983 120.570 0.079 0.000 2.354 360 I HA 0.284 4.454 4.170 -0.001 0.000 0.286 360 I C -0.899 175.308 176.117 0.151 0.000 1.007 360 I CA -0.503 60.881 61.300 0.140 0.000 1.167 360 I CB 0.682 38.758 38.000 0.126 0.000 1.320 360 I HN 0.281 nan 8.210 nan 0.000 0.458 361 L N 6.873 128.221 121.223 0.208 0.000 2.322 361 L HA 0.513 4.853 4.340 -0.001 0.000 0.281 361 L C -0.494 176.539 176.870 0.271 0.000 1.014 361 L CA -0.608 54.355 54.840 0.204 0.000 0.815 361 L CB 1.558 43.734 42.059 0.194 0.000 1.247 361 L HN 0.533 nan 8.230 nan 0.000 0.421 362 Q N 1.575 121.495 119.800 0.202 0.000 2.339 362 Q HA 0.271 4.611 4.340 -0.001 0.000 0.268 362 Q C 0.800 176.891 176.000 0.151 0.000 1.027 362 Q CA -0.377 55.542 55.803 0.194 0.000 0.759 362 Q CB 2.253 31.040 28.738 0.082 0.000 1.244 362 Q HN 0.899 nan 8.270 nan 0.000 0.464 363 G N 1.925 110.820 108.800 0.158 0.000 2.448 363 G HA2 0.205 4.165 3.960 -0.001 0.000 0.218 363 G HA3 0.205 4.165 3.960 -0.001 0.000 0.218 363 G C 0.736 175.683 174.900 0.079 0.000 1.135 363 G CA 0.564 45.725 45.100 0.102 0.000 0.784 363 G HN 0.920 nan 8.290 nan 0.000 0.543 364 G N -0.561 108.286 108.800 0.078 0.000 2.698 364 G HA2 0.276 4.236 3.960 -0.001 0.000 0.233 364 G HA3 0.276 4.236 3.960 -0.001 0.000 0.233 364 G C 0.445 175.368 174.900 0.038 0.000 1.352 364 G CA -0.051 45.077 45.100 0.046 0.000 0.879 364 G HN 1.400 nan 8.290 nan 0.000 0.567 365 A N -0.639 122.193 122.820 0.020 0.000 2.409 365 A HA 0.857 5.177 4.320 -0.001 0.000 0.246 365 A C 1.805 179.397 177.584 0.013 0.000 1.099 365 A CA 2.072 54.117 52.037 0.014 0.000 0.789 365 A CB -0.192 18.811 19.000 0.004 0.000 1.053 365 A HN 3.043 nan 8.150 nan 0.000 0.503 366 G N -0.027 108.776 108.800 0.006 0.000 2.707 366 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.686 366 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.686 366 G C -0.745 174.151 174.900 -0.007 0.000 1.315 366 G CA -0.327 44.773 45.100 0.000 0.000 0.832 366 G HN 1.049 nan 8.290 nan 0.000 0.573 367 N N 2.153 120.844 118.700 -0.015 0.000 2.469 367 N HA 0.327 5.067 4.740 -0.001 0.000 0.239 367 N C -0.616 174.872 175.510 -0.037 0.000 1.053 367 N CA -0.137 52.896 53.050 -0.027 0.000 0.937 367 N CB 0.896 39.370 38.487 -0.022 0.000 1.163 367 N HN 0.547 nan 8.380 nan 0.000 0.509 368 D N 0.515 120.882 120.400 -0.054 0.000 2.268 368 D HA 0.355 4.995 4.640 -0.001 0.000 0.249 368 D C -0.085 176.154 176.300 -0.103 0.000 1.008 368 D CA -0.440 53.524 54.000 -0.060 0.000 0.939 368 D CB 2.463 43.241 40.800 -0.036 0.000 1.170 368 D HN -0.010 nan 8.370 nan 0.000 0.468 369 V N 2.125 121.999 119.914 -0.067 0.000 2.378 369 V HA 0.260 4.379 4.120 -0.001 0.000 0.288 369 V C -0.493 175.596 176.094 -0.008 0.000 1.016 369 V CA -0.653 61.615 62.300 -0.053 0.000 0.840 369 V CB 1.258 33.074 31.823 -0.012 0.000 0.994 369 V HN 0.281 nan 8.190 nan 0.000 0.431 370 L N 5.441 126.645 121.223 -0.031 0.000 2.329 370 L HA 0.557 4.897 4.340 -0.001 0.000 0.279 370 L C -0.859 176.117 176.870 0.177 0.000 1.014 370 L CA -0.438 54.452 54.840 0.084 0.000 0.814 370 L CB 1.495 43.608 42.059 0.089 0.000 1.257 370 L HN 0.655 nan 8.230 nan 0.000 0.424 371 Y N 1.402 121.733 120.300 0.053 0.000 2.349 371 Y HA 0.539 5.089 4.550 -0.001 0.000 0.324 371 Y C 0.837 176.754 175.900 0.028 0.000 1.005 371 Y CA -0.678 57.429 58.100 0.013 0.000 1.240 371 Y CB 1.897 40.389 38.460 0.053 0.000 1.117 371 Y HN 0.642 nan 8.280 nan 0.000 0.463 372 G N 3.013 111.587 108.800 -0.377 0.000 2.464 372 G HA2 0.324 4.284 3.960 -0.001 0.000 0.217 372 G HA3 0.324 4.284 3.960 -0.001 0.000 0.217 372 G C 0.833 175.482 174.900 -0.419 0.000 1.138 372 G CA 0.564 45.500 45.100 -0.273 0.000 0.793 372 G HN 1.450 nan 8.290 nan 0.000 0.539 373 G N -0.326 107.931 108.800 -0.906 0.000 2.598 373 G HA2 0.250 4.210 3.960 -0.001 0.000 0.244 373 G HA3 0.250 4.210 3.960 -0.001 0.000 0.244 373 G C 0.501 175.288 174.900 -0.188 0.000 1.302 373 G CA 0.090 44.837 45.100 -0.589 0.000 0.903 373 G HN 1.416 nan 8.290 nan 0.000 0.575 374 A N -0.564 122.228 122.820 -0.047 0.000 2.366 374 A HA 0.849 5.168 4.320 -0.001 0.000 0.250 374 A C 1.759 179.336 177.584 -0.012 0.000 1.099 374 A CA 2.012 54.054 52.037 0.008 0.000 0.794 374 A CB -0.138 18.885 19.000 0.037 0.000 1.056 374 A HN 3.021 nan 8.150 nan 0.000 0.499 375 G N -1.896 106.903 108.800 -0.003 0.000 2.746 375 G HA2 0.430 4.389 3.960 -0.001 0.000 0.685 375 G HA3 0.430 4.389 3.960 -0.001 0.000 0.685 375 G C -0.018 174.863 174.900 -0.032 0.000 1.350 375 G CA -0.171 44.917 45.100 -0.020 0.000 0.837 375 G HN 2.265 nan 8.290 nan 0.000 0.564 376 A N 1.261 124.050 122.820 -0.053 0.000 2.527 376 A HA 0.591 4.911 4.320 -0.001 0.000 0.313 376 A C 0.235 177.811 177.584 -0.015 0.000 1.410 376 A CA -0.081 51.910 52.037 -0.077 0.000 1.060 376 A CB 0.032 18.940 19.000 -0.154 0.000 1.137 376 A HN 0.585 nan 8.150 nan 0.000 0.542 377 D N 1.431 121.843 120.400 0.020 0.000 2.277 377 D HA 0.461 5.100 4.640 -0.001 0.000 0.250 377 D C -0.428 175.943 176.300 0.118 0.000 1.032 377 D CA 0.173 54.209 54.000 0.060 0.000 0.947 377 D CB 1.681 42.508 40.800 0.045 0.000 1.159 377 D HN 0.340 nan 8.370 nan 0.000 0.460 378 T N 1.381 116.014 114.554 0.133 0.000 2.809 378 T HA 0.465 4.815 4.350 -0.001 0.000 0.284 378 T C -0.012 174.764 174.700 0.127 0.000 0.992 378 T CA -0.587 61.595 62.100 0.137 0.000 0.957 378 T CB 0.633 69.589 68.868 0.147 0.000 0.942 378 T HN 0.089 nan 8.240 nan 0.000 0.439 379 L N 3.510 124.758 121.223 0.042 0.000 2.341 379 L HA 0.599 4.938 4.340 -0.001 0.000 0.278 379 L C -1.238 175.640 176.870 0.013 0.000 1.005 379 L CA -1.129 53.808 54.840 0.162 0.000 0.818 379 L CB 1.295 43.556 42.059 0.337 0.000 1.259 379 L HN 0.615 nan 8.230 nan 0.000 0.418 380 Y N 0.698 121.181 120.300 0.305 0.000 2.338 380 Y HA 0.344 4.894 4.550 -0.001 0.000 0.328 380 Y C 1.070 177.168 175.900 0.330 0.000 0.965 380 Y CA -0.629 57.637 58.100 0.277 0.000 1.208 380 Y CB 2.030 40.583 38.460 0.155 0.000 1.132 380 Y HN 0.709 nan 8.280 nan 0.000 0.469 381 G N 1.743 110.881 108.800 0.563 0.000 2.448 381 G HA2 0.316 4.275 3.960 -0.001 0.000 0.218 381 G HA3 0.316 4.275 3.960 -0.001 0.000 0.218 381 G C 0.860 175.877 174.900 0.194 0.000 1.135 381 G CA 0.547 45.834 45.100 0.313 0.000 0.784 381 G HN 1.149 nan 8.290 nan 0.000 0.543 382 G N -0.723 108.214 108.800 0.228 0.000 2.741 382 G HA2 0.310 4.270 3.960 -0.001 0.000 0.222 382 G HA3 0.310 4.270 3.960 -0.001 0.000 0.222 382 G C 0.338 175.293 174.900 0.092 0.000 1.364 382 G CA -0.159 45.026 45.100 0.142 0.000 0.866 382 G HN 1.404 nan 8.290 nan 0.000 0.555 383 A N -0.498 122.356 122.820 0.057 0.000 2.448 383 A HA 0.864 5.184 4.320 -0.001 0.000 0.239 383 A C 1.735 179.331 177.584 0.021 0.000 1.080 383 A CA 2.145 54.202 52.037 0.033 0.000 0.779 383 A CB -0.081 18.931 19.000 0.020 0.000 1.026 383 A HN 3.028 nan 8.150 nan 0.000 0.499 384 G N 0.184 108.988 108.800 0.007 0.000 2.592 384 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.684 384 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.684 384 G C -0.564 174.326 174.900 -0.017 0.000 1.291 384 G CA -0.459 44.638 45.100 -0.005 0.000 0.891 384 G HN 0.971 nan 8.290 nan 0.000 0.544 385 R N 1.250 121.736 120.500 -0.023 0.000 2.408 385 R HA 0.327 4.666 4.340 -0.001 0.000 0.308 385 R C -0.645 175.627 176.300 -0.048 0.000 1.210 385 R CA -0.605 55.476 56.100 -0.031 0.000 1.115 385 R CB 0.472 30.762 30.300 -0.018 0.000 1.127 385 R HN 0.485 nan 8.270 nan 0.000 0.523 386 D N 1.480 121.833 120.400 -0.078 0.000 2.277 386 D HA 0.252 4.891 4.640 -0.001 0.000 0.250 386 D C -0.111 176.054 176.300 -0.225 0.000 1.032 386 D CA -0.120 53.767 54.000 -0.188 0.000 0.947 386 D CB 2.101 42.732 40.800 -0.283 0.000 1.159 386 D HN 0.203 nan 8.370 nan 0.000 0.460 387 T N 1.111 115.478 114.554 -0.313 0.000 2.840 387 T HA 0.371 4.720 4.350 -0.001 0.000 0.287 387 T C -0.548 173.996 174.700 -0.259 0.000 0.991 387 T CA -0.555 61.465 62.100 -0.133 0.000 0.964 387 T CB 0.339 69.221 68.868 0.023 0.000 0.954 387 T HN 0.087 nan 8.240 nan 0.000 0.438 388 F N 2.386 122.505 119.950 0.282 0.000 2.361 388 F HA 0.492 5.019 4.527 -0.001 0.000 0.364 388 F C 0.301 176.260 175.800 0.266 0.000 1.120 388 F CA -1.020 57.138 58.000 0.263 0.000 1.102 388 F CB 0.755 39.972 39.000 0.361 0.000 1.183 388 F HN 0.180 nan 8.300 nan 0.000 0.476 389 V N 4.154 124.213 119.914 0.242 0.000 2.481 389 V HA 0.298 4.417 4.120 -0.001 0.000 0.286 389 V C -0.776 175.342 176.094 0.040 0.000 1.042 389 V CA -0.906 61.565 62.300 0.285 0.000 0.928 389 V CB 1.038 33.076 31.823 0.358 0.000 0.986 389 V HN 0.491 nan 8.190 nan 0.000 0.462 390 Y N 1.918 122.507 120.300 0.483 0.000 2.338 390 Y HA 0.573 5.123 4.550 -0.001 0.000 0.333 390 Y C 1.003 177.132 175.900 0.381 0.000 0.968 390 Y CA -0.537 57.848 58.100 0.475 0.000 1.123 390 Y CB 2.197 40.986 38.460 0.549 0.000 1.165 390 Y HN 0.659 nan 8.280 nan 0.000 0.452 391 G N 0.879 109.973 108.800 0.489 0.000 2.887 391 G HA2 0.299 4.259 3.960 -0.001 0.000 0.211 391 G HA3 0.299 4.259 3.960 -0.001 0.000 0.211 391 G C 0.032 174.851 174.900 -0.134 0.000 1.152 391 G CA 0.620 45.869 45.100 0.248 0.000 0.769 391 G HN 0.578 nan 8.290 nan 0.000 0.541 392 S N -2.793 112.858 115.700 -0.081 0.000 2.615 392 S HA 0.486 4.956 4.470 -0.001 0.000 0.268 392 S C 1.040 175.760 174.600 0.199 0.000 1.146 392 S CA 0.470 58.536 58.200 -0.224 0.000 0.818 392 S CB 0.896 64.091 63.200 -0.008 0.000 1.111 392 S HN 0.450 nan 8.310 nan 0.000 0.465 393 G N 0.469 109.428 108.800 0.265 0.000 2.470 393 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.220 393 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.220 393 G C 0.948 176.124 174.900 0.461 0.000 1.121 393 G CA 0.584 45.980 45.100 0.494 0.000 0.766 393 G HN 0.636 nan 8.290 nan 0.000 0.553 394 Q N 0.570 120.553 119.800 0.305 0.000 2.472 394 Q HA -0.005 4.334 4.340 -0.001 0.000 0.208 394 Q C 1.527 177.655 176.000 0.213 0.000 0.958 394 Q CA 0.596 56.535 55.803 0.227 0.000 0.932 394 Q CB -0.010 28.829 28.738 0.168 0.000 1.007 394 Q HN 0.389 nan 8.270 nan 0.000 0.508 395 D N 0.067 120.655 120.400 0.313 0.000 2.178 395 D HA -0.046 4.594 4.640 -0.001 0.000 0.202 395 D C 0.277 176.700 176.300 0.205 0.000 0.974 395 D CA 0.866 55.030 54.000 0.273 0.000 0.841 395 D CB 0.249 41.317 40.800 0.446 0.000 0.953 395 D HN -0.048 nan 8.370 nan 0.000 0.478 396 S N -0.005 115.770 115.700 0.125 0.000 2.440 396 S HA 0.177 4.647 4.470 -0.001 0.000 0.142 396 S C -0.364 174.029 174.600 -0.345 0.000 1.578 396 S CA -0.634 57.428 58.200 -0.230 0.000 1.260 396 S CB -0.269 62.587 63.200 -0.574 0.000 1.407 396 S HN 0.192 nan 8.310 nan 0.000 0.392 397 T N -0.071 114.432 114.554 -0.084 0.000 2.860 397 T HA 0.337 4.687 4.350 -0.001 0.000 0.299 397 T C 1.681 176.359 174.700 -0.035 0.000 1.045 397 T CA -0.533 61.556 62.100 -0.018 0.000 1.071 397 T CB 0.925 69.826 68.868 0.055 0.000 0.985 397 T HN 0.149 nan 8.240 nan 0.000 0.537 398 V N 1.955 121.884 119.914 0.024 0.000 2.407 398 V HA -0.115 4.005 4.120 -0.001 0.000 0.248 398 V C 3.004 179.176 176.094 0.129 0.000 1.055 398 V CA 2.180 64.528 62.300 0.080 0.000 1.049 398 V CB -1.555 30.354 31.823 0.143 0.000 0.662 398 V HN 1.087 nan 8.190 nan 0.000 0.455 399 A N -0.754 122.105 122.820 0.066 0.000 2.119 399 A HA 0.392 4.712 4.320 -0.001 0.000 0.217 399 A C 1.454 179.010 177.584 -0.047 0.000 1.153 399 A CA 1.301 53.356 52.037 0.030 0.000 0.692 399 A CB -0.199 18.818 19.000 0.028 0.000 0.799 399 A HN 0.834 nan 8.150 nan 0.000 0.458 400 A N -0.439 122.331 122.820 -0.083 0.000 3.464 400 A HA 0.500 4.819 4.320 -0.001 0.000 0.243 400 A C -0.212 177.241 177.584 -0.218 0.000 1.100 400 A CA -0.724 51.200 52.037 -0.189 0.000 0.957 400 A CB -0.654 18.287 19.000 -0.100 0.000 1.340 400 A HN 0.623 nan 8.150 nan 0.000 0.645 401 Y N -1.031 119.146 120.300 -0.205 0.000 2.379 401 Y HA 0.621 5.171 4.550 -0.001 0.000 0.337 401 Y C -0.084 175.639 175.900 -0.294 0.000 1.238 401 Y CA -1.028 56.876 58.100 -0.327 0.000 1.405 401 Y CB 0.139 38.309 38.460 -0.483 0.000 1.310 401 Y HN 0.308 nan 8.280 nan 0.000 0.569 402 D N 1.377 121.735 120.400 -0.070 0.000 2.329 402 D HA 0.213 4.852 4.640 -0.001 0.000 0.246 402 D C -1.509 174.769 176.300 -0.036 0.000 1.111 402 D CA 0.092 54.089 54.000 -0.005 0.000 0.941 402 D CB 0.418 41.273 40.800 0.092 0.000 1.169 402 D HN 0.692 nan 8.370 nan 0.000 0.441 403 W N 1.072 122.374 121.300 0.004 0.000 2.739 403 W HA 0.508 5.168 4.660 -0.001 0.000 0.331 403 W C -0.580 175.846 176.519 -0.154 0.000 1.049 403 W CA -0.627 56.684 57.345 -0.056 0.000 1.234 403 W CB 1.084 30.518 29.460 -0.042 0.000 1.404 403 W HN 0.079 nan 8.180 nan 0.000 0.477 404 I N 4.356 124.976 120.570 0.083 0.000 2.371 404 I HA 0.223 4.392 4.170 -0.001 0.000 0.282 404 I C 0.850 176.896 176.117 -0.117 0.000 1.031 404 I CA -0.242 60.946 61.300 -0.186 0.000 1.180 404 I CB 1.425 39.157 38.000 -0.447 0.000 1.336 404 I HN 0.702 nan 8.210 nan 0.000 0.467 405 A N 4.309 126.943 122.820 -0.309 0.000 2.208 405 A HA -0.013 4.307 4.320 -0.001 0.000 0.209 405 A C 0.931 178.443 177.584 -0.120 0.000 1.161 405 A CA 0.731 52.578 52.037 -0.316 0.000 0.782 405 A CB -0.236 18.359 19.000 -0.675 0.000 0.816 405 A HN 0.784 nan 8.150 nan 0.000 0.477 406 D N -2.244 118.138 120.400 -0.030 0.000 2.760 406 D HA 0.112 4.752 4.640 -0.001 0.000 0.314 406 D C -0.269 176.132 176.300 0.169 0.000 1.464 406 D CA -0.678 53.398 54.000 0.126 0.000 0.797 406 D CB -1.249 39.690 40.800 0.232 0.000 1.149 406 D HN 0.068 nan 8.370 nan 0.000 0.455 407 F N 2.062 122.014 119.950 0.003 0.000 2.608 407 F HA 0.158 4.684 4.527 -0.001 0.000 0.380 407 F C 0.460 176.314 175.800 0.089 0.000 1.083 407 F CA 0.646 58.669 58.000 0.040 0.000 1.266 407 F CB 0.700 39.672 39.000 -0.048 0.000 1.076 407 F HN -0.057 nan 8.300 nan 0.000 0.574 408 Q N 6.205 125.693 119.800 -0.521 0.000 2.394 408 Q HA 0.162 4.501 4.340 -0.001 0.000 0.259 408 Q C -0.449 175.312 176.000 -0.397 0.000 1.021 408 Q CA -0.829 54.794 55.803 -0.300 0.000 0.805 408 Q CB 1.394 30.020 28.738 -0.186 0.000 1.226 408 Q HN 0.527 nan 8.270 nan 0.000 0.476 409 K N 0.916 121.265 120.400 -0.085 0.000 2.484 409 K HA 0.031 4.350 4.320 -0.001 0.000 0.280 409 K C 0.861 177.445 176.600 -0.027 0.000 1.013 409 K CA 1.322 57.633 56.287 0.040 0.000 1.029 409 K CB 0.079 32.621 32.500 0.071 0.000 0.902 409 K HN 0.849 nan 8.250 nan 0.000 0.481 410 G N 3.541 112.346 108.800 0.009 0.000 2.184 410 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.264 410 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.264 410 G C 0.602 175.484 174.900 -0.030 0.000 0.975 410 G CA 0.665 45.763 45.100 -0.004 0.000 0.642 410 G HN 0.661 nan 8.290 nan 0.000 0.536 411 I N -0.703 119.814 120.570 -0.088 0.000 3.650 411 I HA 0.222 4.391 4.170 -0.001 0.000 0.261 411 I C 0.721 176.775 176.117 -0.106 0.000 1.154 411 I CA -0.164 61.083 61.300 -0.087 0.000 1.418 411 I CB 0.018 37.961 38.000 -0.096 0.000 1.539 411 I HN -0.060 nan 8.210 nan 0.000 0.449 412 D N 2.324 122.565 120.400 -0.264 0.000 2.383 412 D HA 0.341 4.980 4.640 -0.001 0.000 0.248 412 D C -0.223 176.109 176.300 0.054 0.000 1.170 412 D CA 0.190 54.072 54.000 -0.196 0.000 0.977 412 D CB 1.039 41.587 40.800 -0.420 0.000 1.120 412 D HN -0.093 nan 8.370 nan 0.000 0.481 413 K N 0.410 121.020 120.400 0.351 0.000 2.508 413 K HA 0.521 4.840 4.320 -0.001 0.000 0.260 413 K C -0.708 176.289 176.600 0.661 0.000 0.949 413 K CA -0.630 55.948 56.287 0.484 0.000 0.834 413 K CB 2.208 34.873 32.500 0.275 0.000 1.365 413 K HN 0.327 nan 8.250 nan 0.000 0.437 414 I N 1.534 122.436 120.570 0.553 0.000 2.355 414 I HA 0.122 4.291 4.170 -0.001 0.000 0.288 414 I C -0.260 176.101 176.117 0.406 0.000 0.999 414 I CA -0.628 60.979 61.300 0.512 0.000 1.163 414 I CB 1.533 39.710 38.000 0.296 0.000 1.316 414 I HN 0.332 nan 8.210 nan 0.000 0.454 415 D N 7.792 128.455 120.400 0.439 0.000 2.347 415 D HA 0.274 4.914 4.640 -0.001 0.000 0.235 415 D C 0.202 176.730 176.300 0.380 0.000 1.149 415 D CA -0.068 54.144 54.000 0.353 0.000 0.850 415 D CB 1.287 42.278 40.800 0.318 0.000 1.061 415 D HN 0.480 nan 8.370 nan 0.000 0.487 416 L N 2.964 124.350 121.223 0.271 0.000 3.014 416 L HA 0.033 4.373 4.340 -0.001 0.000 0.263 416 L C 2.147 179.152 176.870 0.226 0.000 1.207 416 L CA -0.154 54.855 54.840 0.281 0.000 1.017 416 L CB 0.206 42.287 42.059 0.037 0.000 1.360 416 L HN 0.286 nan 8.230 nan 0.000 0.560 417 S N 0.438 116.215 115.700 0.128 0.000 2.419 417 S HA -0.207 4.263 4.470 -0.001 0.000 0.235 417 S C 2.114 176.657 174.600 -0.095 0.000 1.019 417 S CA 1.006 59.227 58.200 0.035 0.000 0.982 417 S CB -0.143 63.085 63.200 0.046 0.000 0.789 417 S HN 0.405 nan 8.310 nan 0.000 0.490 418 A N 0.889 123.553 122.820 -0.261 0.000 2.019 418 A HA 0.129 4.448 4.320 -0.001 0.000 0.219 418 A C 1.668 179.018 177.584 -0.390 0.000 1.164 418 A CA 1.046 52.725 52.037 -0.598 0.000 0.644 418 A CB -1.033 17.415 19.000 -0.920 0.000 0.805 418 A HN 0.582 nan 8.150 nan 0.000 0.449 419 F N -0.096 119.736 119.950 -0.196 0.000 2.771 419 F HA 0.016 4.542 4.527 -0.001 0.000 0.299 419 F C 2.219 177.941 175.800 -0.130 0.000 1.177 419 F CA 0.665 58.569 58.000 -0.160 0.000 1.450 419 F CB -0.177 38.707 39.000 -0.194 0.000 1.114 419 F HN 0.150 nan 8.300 nan 0.000 0.587 420 R N 0.724 121.228 120.500 0.007 0.000 2.148 420 R HA -0.137 4.203 4.340 -0.001 0.000 0.227 420 R C 1.967 178.251 176.300 -0.027 0.000 1.103 420 R CA 1.216 57.309 56.100 -0.012 0.000 0.983 420 R CB -0.601 29.684 30.300 -0.025 0.000 0.874 420 R HN 0.372 nan 8.270 nan 0.000 0.451 421 N N 1.777 120.442 118.700 -0.058 0.000 2.635 421 N HA -0.196 4.544 4.740 -0.001 0.000 0.191 421 N C 0.390 175.885 175.510 -0.025 0.000 1.155 421 N CA 1.204 54.224 53.050 -0.050 0.000 0.927 421 N CB 0.035 38.478 38.487 -0.073 0.000 0.976 421 N HN 0.568 nan 8.380 nan 0.000 0.448 422 E N -1.762 118.432 120.200 -0.010 0.000 3.029 422 E HA 0.391 4.740 4.350 -0.001 0.000 0.196 422 E C -0.166 176.437 176.600 0.005 0.000 0.973 422 E CA -0.601 55.802 56.400 0.005 0.000 1.242 422 E CB 0.215 29.929 29.700 0.023 0.000 1.056 422 E HN 0.177 nan 8.360 nan 0.000 0.469 423 G N 1.730 110.529 108.800 -0.002 0.000 3.055 423 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.685 423 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.685 423 G C -0.890 174.001 174.900 -0.015 0.000 1.212 423 G CA -0.787 44.306 45.100 -0.011 0.000 0.822 423 G HN 0.200 nan 8.290 nan 0.000 0.610 424 Q N 1.093 120.881 119.800 -0.020 0.000 2.263 424 Q HA 0.430 4.770 4.340 -0.001 0.000 0.289 424 Q C 0.679 176.642 176.000 -0.063 0.000 1.061 424 Q CA 0.145 55.930 55.803 -0.029 0.000 0.927 424 Q CB 0.423 29.151 28.738 -0.017 0.000 1.154 424 Q HN 0.588 nan 8.270 nan 0.000 0.378 425 L N 3.376 124.535 121.223 -0.106 0.000 2.416 425 L HA 0.242 4.582 4.340 -0.001 0.000 0.272 425 L C -0.006 176.728 176.870 -0.227 0.000 1.161 425 L CA -0.130 54.592 54.840 -0.196 0.000 0.845 425 L CB 0.915 42.792 42.059 -0.304 0.000 1.119 425 L HN 0.657 nan 8.230 nan 0.000 0.464 426 S N 2.217 117.800 115.700 -0.195 0.000 2.501 426 S HA 0.562 5.032 4.470 -0.001 0.000 0.301 426 S C -0.580 173.924 174.600 -0.160 0.000 1.096 426 S CA -0.543 57.583 58.200 -0.124 0.000 1.063 426 S CB 1.190 64.378 63.200 -0.019 0.000 1.042 426 S HN 0.207 nan 8.310 nan 0.000 0.494 427 F N 2.149 122.111 119.950 0.020 0.000 2.396 427 F HA 0.471 4.998 4.527 -0.001 0.000 0.343 427 F C 0.506 176.311 175.800 0.008 0.000 1.104 427 F CA -0.516 57.493 58.000 0.016 0.000 1.161 427 F CB 1.079 40.084 39.000 0.008 0.000 1.146 427 F HN 0.320 nan 8.300 nan 0.000 0.522 428 V N 1.422 121.449 119.914 0.188 0.000 2.680 428 V HA 0.418 4.538 4.120 -0.001 0.000 0.309 428 V C 0.203 176.307 176.094 0.016 0.000 1.052 428 V CA -0.813 61.522 62.300 0.059 0.000 0.908 428 V CB 1.894 33.699 31.823 -0.030 0.000 1.001 428 V HN 0.707 nan 8.190 nan 0.000 0.431 429 Q N 2.882 122.675 119.800 -0.013 0.000 2.033 429 Q HA -0.001 4.339 4.340 -0.001 0.000 0.196 429 Q C 0.912 176.873 176.000 -0.064 0.000 0.970 429 Q CA 2.353 58.140 55.803 -0.026 0.000 0.828 429 Q CB -0.016 28.710 28.738 -0.021 0.000 0.895 429 Q HN 1.177 nan 8.270 nan 0.000 0.440 430 D N -2.017 118.320 120.400 -0.104 0.000 2.523 430 D HA 0.053 4.692 4.640 -0.001 0.000 0.269 430 D C -0.234 175.945 176.300 -0.202 0.000 1.374 430 D CA -0.185 53.737 54.000 -0.130 0.000 0.820 430 D CB 0.088 40.846 40.800 -0.070 0.000 1.211 430 D HN 0.160 nan 8.370 nan 0.000 0.502 431 Q N -0.391 119.263 119.800 -0.244 0.000 2.391 431 Q HA 0.441 4.781 4.340 -0.001 0.000 0.279 431 Q C -1.520 174.336 176.000 -0.240 0.000 1.028 431 Q CA -0.971 54.688 55.803 -0.240 0.000 0.836 431 Q CB 1.274 29.953 28.738 -0.097 0.000 1.414 431 Q HN -0.017 nan 8.270 nan 0.000 0.397 432 F N 1.304 121.246 119.950 -0.015 0.000 2.385 432 F HA 0.260 4.787 4.527 -0.001 0.000 0.336 432 F C 1.699 177.518 175.800 0.032 0.000 1.100 432 F CA -0.033 57.982 58.000 0.026 0.000 1.116 432 F CB 1.975 40.999 39.000 0.040 0.000 1.166 432 F HN 0.866 nan 8.300 nan 0.000 0.511 433 T N -1.485 113.223 114.554 0.255 0.000 3.014 433 T HA 0.243 4.593 4.350 -0.001 0.000 0.263 433 T C 1.580 176.360 174.700 0.133 0.000 1.078 433 T CA 0.700 62.884 62.100 0.140 0.000 1.135 433 T CB 0.095 69.019 68.868 0.093 0.000 0.895 433 T HN 1.049 nan 8.240 nan 0.000 0.480 434 G N 1.345 110.251 108.800 0.177 0.000 2.218 434 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.216 434 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.216 434 G C 0.892 175.803 174.900 0.017 0.000 0.994 434 G CA 0.246 45.438 45.100 0.152 0.000 0.637 434 G HN 0.528 nan 8.290 nan 0.000 0.505 435 K N 0.877 121.272 120.400 -0.008 0.000 2.362 435 K HA 0.363 4.683 4.320 -0.001 0.000 0.200 435 K C 1.540 178.041 176.600 -0.165 0.000 1.046 435 K CA 0.724 56.977 56.287 -0.058 0.000 0.952 435 K CB -0.141 32.346 32.500 -0.022 0.000 0.753 435 K HN 1.601 nan 8.250 nan 0.000 0.466 436 G N 1.211 109.821 108.800 -0.317 0.000 2.781 436 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.683 436 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.683 436 G C -0.568 174.165 174.900 -0.277 0.000 1.390 436 G CA -0.205 44.566 45.100 -0.549 0.000 0.850 436 G HN 0.199 nan 8.290 nan 0.000 0.557 437 Q N -1.007 118.630 119.800 -0.272 0.000 2.463 437 Q HA -0.155 4.185 4.340 -0.001 0.000 0.299 437 Q C 0.064 175.980 176.000 -0.140 0.000 1.353 437 Q CA 2.444 58.141 55.803 -0.176 0.000 0.828 437 Q CB -1.370 27.299 28.738 -0.116 0.000 1.157 437 Q HN 0.868 nan 8.270 nan 0.000 0.436 438 E N -1.213 118.933 120.200 -0.090 0.000 2.256 438 E HA 0.702 5.052 4.350 -0.001 0.000 0.267 438 E C -0.834 175.840 176.600 0.125 0.000 0.892 438 E CA -1.009 55.423 56.400 0.052 0.000 0.775 438 E CB 2.191 32.057 29.700 0.276 0.000 1.207 438 E HN 0.041 nan 8.360 nan 0.000 0.420 439 V N 2.717 122.652 119.914 0.035 0.000 2.680 439 V HA 0.528 4.647 4.120 -0.001 0.000 0.309 439 V C -0.320 175.880 176.094 0.177 0.000 1.052 439 V CA -0.723 61.601 62.300 0.041 0.000 0.908 439 V CB 1.754 33.403 31.823 -0.289 0.000 1.001 439 V HN 0.681 nan 8.190 nan 0.000 0.431 440 M N 4.819 124.556 119.600 0.229 0.000 2.446 440 M HA 0.637 5.117 4.480 -0.001 0.000 0.294 440 M C -2.327 174.078 176.300 0.176 0.000 1.158 440 M CA -0.614 54.764 55.300 0.129 0.000 0.899 440 M CB 2.299 34.800 32.600 -0.165 0.000 1.687 440 M HN 0.535 nan 8.290 nan 0.000 0.455 441 L N 4.232 125.532 121.223 0.129 0.000 2.313 441 L HA 0.522 4.862 4.340 -0.001 0.000 0.283 441 L C -0.764 176.180 176.870 0.123 0.000 1.013 441 L CA -0.751 54.151 54.840 0.103 0.000 0.816 441 L CB 1.918 44.018 42.059 0.067 0.000 1.236 441 L HN 0.619 nan 8.230 nan 0.000 0.419 442 Q N 3.503 123.396 119.800 0.155 0.000 2.325 442 Q HA 0.226 4.565 4.340 -0.001 0.000 0.270 442 Q C -1.301 174.827 176.000 0.214 0.000 1.020 442 Q CA -0.283 55.629 55.803 0.182 0.000 0.785 442 Q CB 3.012 31.894 28.738 0.240 0.000 1.259 442 Q HN 0.638 nan 8.270 nan 0.000 0.452 443 W N 4.550 125.855 121.300 0.009 0.000 2.338 443 W HA 0.197 4.857 4.660 -0.001 0.000 0.307 443 W C -0.803 175.722 176.519 0.011 0.000 1.167 443 W CA -0.316 57.031 57.345 0.003 0.000 1.208 443 W CB 1.067 30.528 29.460 0.003 0.000 1.228 443 W HN 0.517 nan 8.180 nan 0.000 0.499 444 D N 5.075 125.082 120.400 -0.656 0.000 2.485 444 D HA 0.294 4.934 4.640 -0.001 0.000 0.221 444 D C 1.038 176.707 176.300 -1.052 0.000 1.112 444 D CA 0.057 53.692 54.000 -0.609 0.000 0.911 444 D CB 1.296 41.870 40.800 -0.377 0.000 1.019 444 D HN 0.457 nan 8.370 nan 0.000 0.516 445 A N 3.715 126.033 122.820 -0.837 0.000 1.908 445 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 445 A C 2.129 179.533 177.584 -0.301 0.000 1.181 445 A CA 1.871 53.590 52.037 -0.529 0.000 0.627 445 A CB -0.485 18.475 19.000 -0.067 0.000 0.818 445 A HN 0.604 nan 8.150 nan 0.000 0.445 446 A N -0.229 122.453 122.820 -0.231 0.000 1.933 446 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 446 A C 1.769 179.267 177.584 -0.144 0.000 1.175 446 A CA 1.723 53.678 52.037 -0.137 0.000 0.628 446 A CB -0.371 18.569 19.000 -0.100 0.000 0.814 446 A HN 0.569 nan 8.150 nan 0.000 0.444 447 N N -1.071 117.499 118.700 -0.216 0.000 2.205 447 N HA 0.082 4.821 4.740 -0.001 0.000 0.201 447 N C -0.176 175.208 175.510 -0.210 0.000 1.128 447 N CA 0.780 53.733 53.050 -0.163 0.000 0.867 447 N CB 0.605 39.025 38.487 -0.111 0.000 0.996 447 N HN 0.227 nan 8.380 nan 0.000 0.503 448 S N 0.677 116.115 115.700 -0.436 0.000 3.749 448 S HA -0.130 4.340 4.470 -0.001 0.000 0.348 448 S C -0.222 174.176 174.600 -0.336 0.000 1.045 448 S CA 0.405 58.313 58.200 -0.487 0.000 1.051 448 S CB -1.182 62.032 63.200 0.024 0.000 0.898 448 S HN 0.274 nan 8.310 nan 0.000 0.472 449 I N 1.413 121.699 120.570 -0.475 0.000 2.474 449 I HA 0.400 4.570 4.170 -0.001 0.000 0.294 449 I C 0.638 176.699 176.117 -0.095 0.000 1.005 449 I CA -0.174 61.053 61.300 -0.121 0.000 1.113 449 I CB 1.789 39.769 38.000 -0.032 0.000 1.289 449 I HN 0.028 nan 8.210 nan 0.000 0.436 450 T N 5.388 120.004 114.554 0.103 0.000 2.758 450 T HA 0.356 4.706 4.350 -0.001 0.000 0.285 450 T C 0.078 174.711 174.700 -0.112 0.000 0.981 450 T CA -0.617 61.560 62.100 0.129 0.000 0.965 450 T CB 0.518 69.506 68.868 0.200 0.000 0.927 450 T HN 0.310 nan 8.240 nan 0.000 0.448 451 N N 3.009 121.609 118.700 -0.167 0.000 2.422 451 N HA 0.316 5.056 4.740 -0.001 0.000 0.266 451 N C -0.795 174.450 175.510 -0.441 0.000 1.007 451 N CA -0.487 52.291 53.050 -0.453 0.000 0.941 451 N CB 1.414 39.603 38.487 -0.497 0.000 1.115 451 N HN 0.577 nan 8.380 nan 0.000 0.492 452 L N 3.321 124.221 121.223 -0.538 0.000 2.255 452 L HA 0.475 4.815 4.340 -0.001 0.000 0.289 452 L C -1.138 175.515 176.870 -0.362 0.000 1.046 452 L CA -0.738 53.914 54.840 -0.314 0.000 0.816 452 L CB 0.416 42.322 42.059 -0.254 0.000 1.197 452 L HN 0.452 nan 8.230 nan 0.000 0.427 453 W N 6.060 127.383 121.300 0.039 0.000 2.520 453 W HA 0.597 5.257 4.660 -0.001 0.000 0.323 453 W C -0.675 175.972 176.519 0.213 0.000 1.062 453 W CA -0.509 56.921 57.345 0.142 0.000 1.215 453 W CB 1.578 31.194 29.460 0.260 0.000 1.340 453 W HN 0.299 nan 8.180 nan 0.000 0.516 454 L N 3.670 125.129 121.223 0.393 0.000 2.404 454 L HA 0.380 4.720 4.340 -0.001 0.000 0.272 454 L C -0.812 176.029 176.870 -0.048 0.000 0.980 454 L CA -0.752 54.123 54.840 0.059 0.000 0.836 454 L CB 1.107 42.950 42.059 -0.359 0.000 1.238 454 L HN 0.565 nan 8.230 nan 0.000 0.408 455 H N 4.868 123.716 119.070 -0.369 0.000 2.820 455 H HA 0.219 4.774 4.556 -0.001 0.000 0.278 455 H C -0.552 174.588 175.328 -0.313 0.000 1.142 455 H CA -0.478 55.272 56.048 -0.497 0.000 1.346 455 H CB 0.887 30.089 29.762 -0.934 0.000 1.438 455 H HN 0.668 nan 8.280 nan 0.000 0.473 456 E N 3.518 123.637 120.200 -0.135 0.000 2.343 456 E HA 0.356 4.706 4.350 -0.001 0.000 0.269 456 E C -0.480 176.094 176.600 -0.044 0.000 1.047 456 E CA -0.801 55.506 56.400 -0.155 0.000 0.874 456 E CB 0.899 30.462 29.700 -0.228 0.000 1.033 456 E HN 0.748 nan 8.360 nan 0.000 0.409 457 A N 2.469 125.272 122.820 -0.029 0.000 2.540 457 A HA 0.373 4.693 4.320 -0.001 0.000 0.239 457 A C 1.153 178.803 177.584 0.109 0.000 1.061 457 A CA 0.737 52.764 52.037 -0.017 0.000 0.758 457 A CB -0.401 18.592 19.000 -0.012 0.000 0.991 457 A HN 1.008 nan 8.150 nan 0.000 0.502 458 G N 1.146 109.973 108.800 0.045 0.000 2.176 458 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.253 458 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.253 458 G C 0.155 175.040 174.900 -0.025 0.000 0.979 458 G CA 0.503 45.615 45.100 0.020 0.000 0.641 458 G HN 1.080 nan 8.290 nan 0.000 0.530 459 H N 0.607 119.694 119.070 0.028 0.000 2.504 459 H HA 0.455 5.011 4.556 -0.001 0.000 0.322 459 H C 0.925 176.342 175.328 0.148 0.000 1.055 459 H CA 0.141 56.239 56.048 0.084 0.000 1.231 459 H CB 1.756 31.590 29.762 0.120 0.000 1.417 459 H HN 0.158 nan 8.280 nan 0.000 0.472 460 S N 2.251 118.044 115.700 0.155 0.000 2.406 460 S HA -0.080 4.390 4.470 -0.001 0.000 0.228 460 S C 1.130 175.777 174.600 0.078 0.000 1.020 460 S CA 0.642 58.917 58.200 0.126 0.000 0.965 460 S CB 0.152 63.380 63.200 0.046 0.000 0.798 460 S HN 0.701 nan 8.310 nan 0.000 0.488 461 S N 0.424 116.149 115.700 0.041 0.000 2.664 461 S HA 0.606 5.076 4.470 -0.001 0.000 0.304 461 S C -0.428 174.070 174.600 -0.171 0.000 1.099 461 S CA -0.940 57.200 58.200 -0.102 0.000 1.003 461 S CB 1.543 64.721 63.200 -0.037 0.000 1.092 461 S HN -0.043 nan 8.310 nan 0.000 0.525 462 V N 2.622 122.338 119.914 -0.330 0.000 2.397 462 V HA 0.178 4.298 4.120 -0.001 0.000 0.262 462 V C -0.113 175.982 176.094 0.002 0.000 1.047 462 V CA 0.034 62.163 62.300 -0.286 0.000 1.003 462 V CB -0.098 31.505 31.823 -0.368 0.000 1.037 462 V HN 0.910 nan 8.190 nan 0.000 0.480 463 D N 3.208 123.646 120.400 0.065 0.000 2.433 463 D HA 0.151 4.791 4.640 -0.001 0.000 0.211 463 D C -0.113 176.283 176.300 0.159 0.000 1.114 463 D CA 0.319 54.396 54.000 0.128 0.000 0.837 463 D CB 0.717 41.622 40.800 0.175 0.000 0.984 463 D HN 0.477 nan 8.370 nan 0.000 0.505 464 F N 1.764 121.713 119.950 -0.002 0.000 2.482 464 F HA 0.509 5.035 4.527 -0.001 0.000 0.331 464 F C -1.325 174.419 175.800 -0.094 0.000 1.115 464 F CA -1.151 56.816 58.000 -0.055 0.000 0.955 464 F CB 1.450 40.373 39.000 -0.129 0.000 1.136 464 F HN -0.263 nan 8.300 nan 0.000 0.452 465 L N 6.917 127.707 121.223 -0.723 0.000 2.493 465 L HA 0.755 5.095 4.340 -0.001 0.000 0.265 465 L C -2.017 174.287 176.870 -0.943 0.000 0.954 465 L CA -0.528 53.808 54.840 -0.839 0.000 0.844 465 L CB 2.171 43.657 42.059 -0.954 0.000 1.302 465 L HN 0.367 nan 8.230 nan 0.000 0.405 466 V N 5.016 124.417 119.914 -0.855 0.000 2.483 466 V HA 0.601 4.720 4.120 -0.001 0.000 0.297 466 V C -0.245 175.429 176.094 -0.699 0.000 1.027 466 V CA -0.581 61.302 62.300 -0.694 0.000 0.855 466 V CB 1.775 33.239 31.823 -0.599 0.000 0.995 466 V HN 0.729 nan 8.190 nan 0.000 0.424 467 R N 4.905 124.938 120.500 -0.779 0.000 2.368 467 R HA 0.710 5.050 4.340 -0.001 0.000 0.302 467 R C -1.056 175.030 176.300 -0.357 0.000 1.002 467 R CA -0.498 55.102 56.100 -0.833 0.000 0.929 467 R CB 1.741 31.060 30.300 -1.634 0.000 1.073 467 R HN 0.581 nan 8.270 nan 0.000 0.464 468 I N 2.381 122.856 120.570 -0.158 0.000 2.406 468 I HA 0.203 4.373 4.170 -0.001 0.000 0.290 468 I C -0.097 176.134 176.117 0.191 0.000 0.999 468 I CA -1.070 60.234 61.300 0.006 0.000 1.124 468 I CB 2.265 40.166 38.000 -0.165 0.000 1.289 468 I HN 0.250 nan 8.210 nan 0.000 0.441 469 V N 6.039 126.085 119.914 0.221 0.000 2.276 469 V HA 0.681 4.801 4.120 -0.001 0.000 0.249 469 V C 0.703 176.907 176.094 0.183 0.000 1.160 469 V CA 0.114 62.516 62.300 0.169 0.000 1.042 469 V CB -0.718 31.123 31.823 0.029 0.000 1.224 469 V HN 1.081 nan 8.190 nan 0.000 0.496 470 G N 3.925 112.882 108.800 0.262 0.000 2.369 470 G HA2 0.072 4.032 3.960 -0.001 0.000 0.307 470 G HA3 0.072 4.032 3.960 -0.001 0.000 0.307 470 G C -1.225 173.897 174.900 0.371 0.000 1.327 470 G CA -0.952 44.334 45.100 0.309 0.000 0.963 470 G HN 0.386 nan 8.290 nan 0.000 0.590 471 Q N -0.681 119.243 119.800 0.206 0.000 2.312 471 Q HA 0.641 4.981 4.340 -0.001 0.000 0.236 471 Q C 0.149 176.228 176.000 0.131 0.000 0.965 471 Q CA 0.161 55.957 55.803 -0.011 0.000 0.894 471 Q CB 1.678 30.236 28.738 -0.300 0.000 1.225 471 Q HN 1.337 nan 8.270 nan 0.000 0.478 472 A N 0.468 123.322 122.820 0.056 0.000 2.520 472 A HA 0.773 5.092 4.320 -0.001 0.000 0.298 472 A C -1.558 176.050 177.584 0.039 0.000 1.051 472 A CA -0.476 51.637 52.037 0.127 0.000 0.690 472 A CB 1.621 20.578 19.000 -0.072 0.000 1.281 472 A HN 0.691 nan 8.150 nan 0.000 0.402 473 A N 0.435 123.301 122.820 0.077 0.000 2.311 473 A HA 0.622 4.941 4.320 -0.001 0.000 0.334 473 A C 0.871 178.427 177.584 -0.046 0.000 1.139 473 A CA -0.057 51.974 52.037 -0.009 0.000 0.830 473 A CB 0.997 19.990 19.000 -0.011 0.000 1.234 473 A HN 1.035 nan 8.150 nan 0.000 0.483 474 Q N 0.762 120.466 119.800 -0.160 0.000 2.135 474 Q HA -0.188 4.152 4.340 -0.001 0.000 0.204 474 Q C 1.706 177.500 176.000 -0.344 0.000 0.981 474 Q CA 2.365 57.934 55.803 -0.390 0.000 0.856 474 Q CB -0.168 28.239 28.738 -0.551 0.000 0.902 474 Q HN 0.943 nan 8.270 nan 0.000 0.425 475 S N -0.229 115.368 115.700 -0.172 0.000 2.603 475 S HA -0.072 4.398 4.470 -0.001 0.000 0.229 475 S C 0.739 175.367 174.600 0.047 0.000 0.972 475 S CA 0.855 59.014 58.200 -0.068 0.000 0.935 475 S CB 0.116 63.291 63.200 -0.042 0.000 0.769 475 S HN 0.356 nan 8.310 nan 0.000 0.536 476 D N 1.003 121.464 120.400 0.101 0.000 2.354 476 D HA 0.187 4.827 4.640 -0.001 0.000 0.209 476 D C 0.058 176.530 176.300 0.286 0.000 1.015 476 D CA 0.218 54.363 54.000 0.242 0.000 0.867 476 D CB 0.177 41.224 40.800 0.412 0.000 0.933 476 D HN 0.379 nan 8.370 nan 0.000 0.520 477 I N 2.500 123.215 120.570 0.242 0.000 2.304 477 I HA 0.148 4.317 4.170 -0.001 0.000 0.291 477 I C 0.174 176.519 176.117 0.380 0.000 1.018 477 I CA -0.713 60.791 61.300 0.339 0.000 1.260 477 I CB 0.995 39.291 38.000 0.494 0.000 1.390 477 I HN -0.236 nan 8.210 nan 0.000 0.475 478 I N 7.985 128.726 120.570 0.286 0.000 2.301 478 I HA 0.235 4.405 4.170 -0.001 0.000 0.292 478 I C 0.564 176.784 176.117 0.172 0.000 1.046 478 I CA -0.231 61.207 61.300 0.230 0.000 1.282 478 I CB 0.775 38.894 38.000 0.200 0.000 1.409 478 I HN 0.308 nan 8.210 nan 0.000 0.484 479 V N 0.000 120.000 119.914 0.143 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 479 V CA 0.000 62.308 62.300 0.013 0.000 1.235 479 V CB 0.000 31.711 31.823 -0.187 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556