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 1lbq_1_A DATA FIRST_RESID 36 DATA SEQUENCE RSPTGIVLMN MGGPSKVEET YDFLYQLFAD NDLIPISAKY QKTIAKYIAK DATA SEQUENCE FRTPKIEKQY REIGGGSPIR KWSEYQATEV CKILDKTCPE TAPHKPYVAF DATA SEQUENCE RYAKPLTAET YKQMLKDGVK KAVAFSQYPH FSYSTTGSSI NELWRQIKAL DATA SEQUENCE DSERSISWSV IDRWPTNEGL IKAFSENITK KLQEFPQPVR DKVVLLFSAH DATA SEQUENCE SLPMDVVNTG DAYPAEVAAT VYNIMQKLKF KNPYRLVWQS QVGPKPWLGA DATA SEQUENCE QTAEIAEFLG PKVDGLMFIP IAFTSDHIET LHEIDLGVIG ESEYKDKFKR DATA SEQUENCE CESLNGNQTF IEGMADLVKS HLQSNQLYSN QLPLDFALGK SNDPVKDLSL DATA SEQUENCE VFGNHE 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 36 R HA 0.000 nan 4.340 nan 0.000 0.208 36 R C 0.000 176.267 176.300 -0.055 0.000 0.893 36 R CA 0.000 56.070 56.100 -0.050 0.000 0.921 36 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 37 S N 3.028 118.692 115.700 -0.060 0.000 2.513 37 S HA 0.463 4.933 4.470 0.001 0.000 0.276 37 S C -2.146 172.402 174.600 -0.086 0.000 1.254 37 S CA -1.173 56.990 58.200 -0.061 0.000 1.053 37 S CB 0.714 63.882 63.200 -0.054 0.000 0.958 37 S HN 0.231 nan 8.310 nan 0.000 0.491 38 P HA 0.139 nan 4.420 nan 0.000 0.267 38 P C -0.840 176.391 177.300 -0.115 0.000 1.200 38 P CA 0.038 63.079 63.100 -0.098 0.000 0.772 38 P CB 0.402 32.076 31.700 -0.043 0.000 0.855 39 T N 2.079 116.534 114.554 -0.165 0.000 2.758 39 T HA 0.497 4.847 4.350 0.001 0.000 0.285 39 T C 0.393 175.064 174.700 -0.048 0.000 0.981 39 T CA -0.436 61.575 62.100 -0.147 0.000 0.965 39 T CB 0.916 69.661 68.868 -0.205 0.000 0.927 39 T HN 0.433 nan 8.240 nan 0.000 0.448 40 G N 3.380 112.157 108.800 -0.038 0.000 2.333 40 G HA2 0.520 4.480 3.960 0.001 0.000 0.290 40 G HA3 0.520 4.480 3.960 0.001 0.000 0.290 40 G C -0.328 174.637 174.900 0.107 0.000 1.150 40 G CA -0.482 44.689 45.100 0.118 0.000 0.895 40 G HN 0.614 nan 8.290 nan 0.000 0.444 41 I N 3.696 124.386 120.570 0.200 0.000 2.330 41 I HA 0.161 4.332 4.170 0.001 0.000 0.286 41 I C -0.091 176.178 176.117 0.254 0.000 1.025 41 I CA -0.778 60.638 61.300 0.194 0.000 1.197 41 I CB 1.202 39.296 38.000 0.156 0.000 1.358 41 I HN 0.051 nan 8.210 nan 0.000 0.467 42 V N 7.188 127.270 119.914 0.280 0.000 2.311 42 V HA 0.331 4.451 4.120 0.001 0.000 0.275 42 V C 0.491 176.717 176.094 0.221 0.000 1.022 42 V CA -0.679 61.786 62.300 0.275 0.000 0.830 42 V CB 1.338 33.354 31.823 0.322 0.000 1.012 42 V HN 0.405 nan 8.190 nan 0.000 0.452 43 L N 6.263 127.554 121.223 0.112 0.000 2.360 43 L HA 0.472 4.812 4.340 0.001 0.000 0.276 43 L C -0.014 176.867 176.870 0.018 0.000 1.121 43 L CA 0.414 55.258 54.840 0.008 0.000 0.845 43 L CB 0.703 42.726 42.059 -0.060 0.000 1.143 43 L HN 0.552 nan 8.230 nan 0.000 0.452 44 M N 4.192 123.831 119.600 0.066 0.000 2.535 44 M HA 0.473 4.954 4.480 0.001 0.000 0.314 44 M C -0.742 175.660 176.300 0.170 0.000 1.153 44 M CA -0.646 54.726 55.300 0.121 0.000 0.924 44 M CB 2.405 35.102 32.600 0.161 0.000 1.710 44 M HN 0.692 nan 8.290 nan 0.000 0.451 45 N N 0.705 119.581 118.700 0.294 0.000 3.521 45 N HA 0.251 4.992 4.740 0.001 0.000 0.228 45 N C -0.257 175.509 175.510 0.426 0.000 1.328 45 N CA -0.666 52.590 53.050 0.342 0.000 0.907 45 N CB 0.788 39.387 38.487 0.186 0.000 1.487 45 N HN 0.551 nan 8.380 nan 0.000 0.503 46 M N 0.686 120.542 119.600 0.426 0.000 2.082 46 M HA 0.127 4.608 4.480 0.001 0.000 0.258 46 M C 1.222 177.716 176.300 0.323 0.000 1.069 46 M CA 2.506 57.966 55.300 0.266 0.000 1.102 46 M CB -2.165 30.621 32.600 0.309 0.000 1.336 46 M HN 1.054 nan 8.290 nan 0.000 0.404 47 G N -1.484 107.467 108.800 0.251 0.000 2.525 47 G HA2 0.264 4.225 3.960 0.001 0.000 0.685 47 G HA3 0.264 4.225 3.960 0.001 0.000 0.685 47 G C -0.452 174.405 174.900 -0.071 0.000 1.290 47 G CA -0.609 44.474 45.100 -0.029 0.000 0.915 47 G HN 0.828 nan 8.290 nan 0.000 0.548 48 G N -0.722 107.830 108.800 -0.414 0.000 2.742 48 G HA2 0.759 4.719 3.960 0.001 0.000 0.296 48 G HA3 0.759 4.719 3.960 0.001 0.000 0.296 48 G C -3.318 171.151 174.900 -0.718 0.000 1.436 48 G CA -0.777 43.921 45.100 -0.670 0.000 0.928 48 G HN 0.560 nan 8.290 nan 0.000 0.520 49 P HA 0.141 nan 4.420 nan 0.000 0.265 49 P C 1.081 178.082 177.300 -0.497 0.000 1.222 49 P CA -0.010 62.717 63.100 -0.621 0.000 0.767 49 P CB 1.178 32.457 31.700 -0.700 0.000 0.801 50 S N 3.032 118.573 115.700 -0.266 0.000 2.365 50 S HA -0.191 4.279 4.470 0.001 0.000 0.225 50 S C 0.811 175.311 174.600 -0.168 0.000 1.039 50 S CA 1.428 59.525 58.200 -0.172 0.000 1.033 50 S CB -0.543 62.618 63.200 -0.064 0.000 0.887 50 S HN 0.572 nan 8.310 nan 0.000 0.447 51 K N -0.423 119.886 120.400 -0.152 0.000 2.477 51 K HA 0.595 4.915 4.320 0.001 0.000 0.255 51 K C 0.400 176.930 176.600 -0.116 0.000 0.952 51 K CA -0.761 55.461 56.287 -0.109 0.000 0.826 51 K CB 1.626 34.099 32.500 -0.045 0.000 1.331 51 K HN -0.197 nan 8.250 nan 0.000 0.437 52 V N 1.128 121.003 119.914 -0.065 0.000 2.428 52 V HA -0.301 3.819 4.120 0.001 0.000 0.255 52 V C 1.423 177.525 176.094 0.015 0.000 1.080 52 V CA 2.199 64.491 62.300 -0.013 0.000 1.083 52 V CB -1.028 30.818 31.823 0.038 0.000 0.665 52 V HN 0.805 nan 8.190 nan 0.000 0.461 53 E N -0.284 119.927 120.200 0.018 0.000 2.285 53 E HA -0.097 4.254 4.350 0.001 0.000 0.194 53 E C 2.119 178.770 176.600 0.084 0.000 0.997 53 E CA 0.519 56.950 56.400 0.053 0.000 0.845 53 E CB -0.269 29.458 29.700 0.045 0.000 0.782 53 E HN 0.608 nan 8.360 nan 0.000 0.491 54 E N 0.324 120.551 120.200 0.045 0.000 2.268 54 E HA -0.097 4.253 4.350 0.001 0.000 0.195 54 E C 1.700 178.379 176.600 0.132 0.000 0.995 54 E CA 0.906 57.352 56.400 0.076 0.000 0.836 54 E CB -0.443 29.262 29.700 0.007 0.000 0.763 54 E HN 0.252 nan 8.360 nan 0.000 0.491 55 T N 1.318 115.932 114.554 0.100 0.000 2.653 55 T HA -0.269 4.082 4.350 0.001 0.000 0.267 55 T C 1.627 176.489 174.700 0.270 0.000 1.037 55 T CA 1.923 64.131 62.100 0.180 0.000 1.159 55 T CB -0.570 68.403 68.868 0.176 0.000 0.859 55 T HN 0.294 nan 8.240 nan 0.000 0.449 56 Y N 2.263 122.656 120.300 0.155 0.000 2.145 56 Y HA -0.163 4.388 4.550 0.001 0.000 0.286 56 Y C 2.192 178.218 175.900 0.211 0.000 1.145 56 Y CA 1.530 59.729 58.100 0.164 0.000 1.148 56 Y CB -0.479 38.049 38.460 0.113 0.000 0.981 56 Y HN 0.224 nan 8.280 nan 0.000 0.507 57 D N -0.476 119.983 120.400 0.098 0.000 2.117 57 D HA -0.211 4.429 4.640 0.001 0.000 0.198 57 D C 2.081 178.438 176.300 0.096 0.000 0.982 57 D CA 1.482 55.531 54.000 0.081 0.000 0.828 57 D CB -0.779 40.134 40.800 0.189 0.000 0.967 57 D HN 0.414 nan 8.370 nan 0.000 0.464 58 F N 1.648 121.600 119.950 0.004 0.000 2.069 58 F HA -0.215 4.313 4.527 0.001 0.000 0.298 58 F C 2.073 177.808 175.800 -0.107 0.000 1.113 58 F CA 1.046 59.039 58.000 -0.012 0.000 1.214 58 F CB -0.307 38.684 39.000 -0.016 0.000 0.978 58 F HN -0.161 nan 8.300 nan 0.000 0.474 59 L N -0.515 120.636 121.223 -0.119 0.000 2.141 59 L HA -0.195 4.146 4.340 0.001 0.000 0.209 59 L C 2.176 178.889 176.870 -0.261 0.000 1.094 59 L CA 1.585 56.252 54.840 -0.288 0.000 0.763 59 L CB -1.650 40.443 42.059 0.057 0.000 0.908 59 L HN 0.393 nan 8.230 nan 0.000 0.437 60 Y N 0.110 120.222 120.300 -0.313 0.000 2.133 60 Y HA -0.245 4.306 4.550 0.001 0.000 0.287 60 Y C 2.552 178.347 175.900 -0.175 0.000 1.134 60 Y CA 1.551 59.509 58.100 -0.237 0.000 1.133 60 Y CB -0.408 37.829 38.460 -0.371 0.000 0.987 60 Y HN 0.181 nan 8.280 nan 0.000 0.502 61 Q N 0.475 119.971 119.800 -0.506 0.000 2.077 61 Q HA -0.223 4.118 4.340 0.001 0.000 0.206 61 Q C 2.481 178.200 176.000 -0.468 0.000 0.989 61 Q CA 1.708 57.232 55.803 -0.465 0.000 0.853 61 Q CB -1.081 27.576 28.738 -0.134 0.000 0.907 61 Q HN 0.539 nan 8.270 nan 0.000 0.418 62 L N -0.200 120.525 121.223 -0.830 0.000 1.990 62 L HA -0.165 4.175 4.340 0.001 0.000 0.213 62 L C 1.799 178.169 176.870 -0.832 0.000 1.072 62 L CA 1.799 55.794 54.840 -1.409 0.000 0.755 62 L CB -0.622 40.449 42.059 -1.648 0.000 0.889 62 L HN 0.212 nan 8.230 nan 0.000 0.432 63 F N -0.819 118.901 119.950 -0.384 0.000 2.804 63 F HA 0.080 4.607 4.527 0.001 0.000 0.303 63 F C 1.999 177.697 175.800 -0.170 0.000 1.154 63 F CA 0.173 58.051 58.000 -0.203 0.000 1.401 63 F CB -0.063 38.886 39.000 -0.086 0.000 1.106 63 F HN 0.159 nan 8.300 nan 0.000 0.568 64 A N -1.202 121.520 122.820 -0.162 0.000 2.197 64 A HA 0.014 4.334 4.320 0.001 0.000 0.210 64 A C 0.441 177.969 177.584 -0.093 0.000 1.180 64 A CA -0.083 51.840 52.037 -0.190 0.000 0.846 64 A CB -0.118 18.538 19.000 -0.574 0.000 0.884 64 A HN 0.151 nan 8.150 nan 0.000 0.487 65 D N 1.209 121.563 120.400 -0.076 0.000 2.383 65 D HA 0.022 4.662 4.640 0.001 0.000 0.252 65 D C 0.441 176.752 176.300 0.019 0.000 1.166 65 D CA 0.025 54.031 54.000 0.010 0.000 0.879 65 D CB 0.405 41.269 40.800 0.106 0.000 1.164 65 D HN 0.398 nan 8.370 nan 0.000 0.462 66 N N 3.480 122.196 118.700 0.027 0.000 2.235 66 N HA -0.075 4.666 4.740 0.001 0.000 0.231 66 N C 0.306 175.838 175.510 0.036 0.000 1.177 66 N CA -0.310 52.760 53.050 0.034 0.000 0.874 66 N CB 0.280 38.787 38.487 0.034 0.000 1.097 66 N HN 0.405 nan 8.380 nan 0.000 0.518 67 D N 0.676 121.101 120.400 0.041 0.000 2.348 67 D HA -0.018 4.622 4.640 0.001 0.000 0.216 67 D C 0.646 176.974 176.300 0.047 0.000 0.970 67 D CA 0.380 54.409 54.000 0.049 0.000 0.889 67 D CB 0.478 41.303 40.800 0.041 0.000 0.912 67 D HN 0.448 nan 8.370 nan 0.000 0.524 68 L N -1.500 119.746 121.223 0.038 0.000 2.690 68 L HA 0.176 4.517 4.340 0.001 0.000 0.252 68 L C -0.130 176.761 176.870 0.035 0.000 0.939 68 L CA -0.645 54.212 54.840 0.028 0.000 1.151 68 L CB 0.349 42.420 42.059 0.021 0.000 1.606 68 L HN -0.145 nan 8.230 nan 0.000 0.370 69 I N -3.191 117.406 120.570 0.045 0.000 4.908 69 I HA -0.275 3.896 4.170 0.001 0.000 0.038 69 I C -1.977 174.176 176.117 0.060 0.000 0.635 69 I CA 0.838 62.186 61.300 0.080 0.000 0.201 69 I CB -3.300 34.759 38.000 0.099 0.000 0.318 69 I HN 0.592 nan 8.210 nan 0.000 0.150 70 P HA 0.572 nan 4.420 nan 0.000 0.310 70 P C -0.822 176.500 177.300 0.037 0.000 1.309 70 P CA -0.545 62.580 63.100 0.043 0.000 0.769 70 P CB 0.658 32.385 31.700 0.045 0.000 1.327 71 I N -1.407 119.182 120.570 0.032 0.000 2.740 71 I HA 0.627 4.798 4.170 0.001 0.000 0.303 71 I C 0.535 176.677 176.117 0.041 0.000 1.044 71 I CA -0.710 60.608 61.300 0.030 0.000 1.064 71 I CB 1.023 39.035 38.000 0.019 0.000 1.249 71 I HN 0.651 nan 8.210 nan 0.000 0.433 72 S N 2.402 118.130 115.700 0.046 0.000 7.230 72 S HA 0.267 4.737 4.470 0.001 0.000 0.054 72 S C 0.405 175.045 174.600 0.067 0.000 1.493 72 S CA 0.498 58.739 58.200 0.068 0.000 1.010 72 S CB -0.534 62.717 63.200 0.086 0.000 1.130 72 S HN 2.174 nan 8.310 nan 0.000 0.543 73 A N 2.098 124.952 122.820 0.058 0.000 2.060 73 A HA 0.073 4.393 4.320 0.001 0.000 0.267 73 A C 0.658 178.265 177.584 0.039 0.000 1.378 73 A CA 1.895 53.956 52.037 0.041 0.000 0.733 73 A CB -2.170 16.847 19.000 0.029 0.000 1.188 73 A HN 1.303 nan 8.150 nan 0.000 0.311 74 K N -2.333 118.086 120.400 0.031 0.000 2.562 74 K HA -0.119 4.202 4.320 0.001 0.000 0.401 74 K C 0.149 176.708 176.600 -0.069 0.000 0.502 74 K CA 0.856 57.135 56.287 -0.013 0.000 1.718 74 K CB -0.705 31.800 32.500 0.009 0.000 0.798 74 K HN 0.764 nan 8.250 nan 0.000 0.497 75 Y N 1.556 121.867 120.300 0.019 0.000 2.736 75 Y HA 0.338 4.888 4.550 0.001 0.000 0.293 75 Y C 1.179 177.097 175.900 0.030 0.000 1.062 75 Y CA 0.260 58.369 58.100 0.016 0.000 1.247 75 Y CB 0.800 39.259 38.460 -0.001 0.000 1.200 75 Y HN 0.224 nan 8.280 nan 0.000 0.552 76 Q N -0.766 119.128 119.800 0.158 0.000 2.342 76 Q HA 0.151 4.491 4.340 0.001 0.000 0.261 76 Q C 1.498 177.605 176.000 0.178 0.000 0.841 76 Q CA 0.322 56.222 55.803 0.163 0.000 0.969 76 Q CB 0.324 29.135 28.738 0.121 0.000 1.136 76 Q HN 0.117 nan 8.270 nan 0.000 0.528 77 K N -0.111 120.368 120.400 0.131 0.000 2.442 77 K HA -0.067 4.253 4.320 0.001 0.000 0.199 77 K C 0.901 177.593 176.600 0.154 0.000 1.044 77 K CA 1.509 57.904 56.287 0.181 0.000 0.941 77 K CB 0.264 32.817 32.500 0.088 0.000 0.759 77 K HN 0.295 nan 8.250 nan 0.000 0.472 78 T N 1.142 115.769 114.554 0.122 0.000 3.065 78 T HA -0.004 4.346 4.350 0.001 0.000 0.234 78 T C 1.843 176.672 174.700 0.215 0.000 1.017 78 T CA 0.712 62.893 62.100 0.135 0.000 1.292 78 T CB -0.295 68.649 68.868 0.127 0.000 1.005 78 T HN 0.268 nan 8.240 nan 0.000 0.423 79 I N 1.320 122.032 120.570 0.235 0.000 2.381 79 I HA -0.168 4.002 4.170 0.001 0.000 0.255 79 I C 2.590 178.839 176.117 0.221 0.000 1.140 79 I CA 1.561 62.986 61.300 0.208 0.000 1.404 79 I CB -0.787 37.296 38.000 0.138 0.000 1.075 79 I HN 0.195 nan 8.210 nan 0.000 0.433 80 A N 1.958 124.932 122.820 0.256 0.000 1.902 80 A HA -0.176 4.145 4.320 0.001 0.000 0.217 80 A C 2.378 180.193 177.584 0.386 0.000 1.181 80 A CA 1.890 54.126 52.037 0.332 0.000 0.623 80 A CB -0.527 18.729 19.000 0.426 0.000 0.818 80 A HN 0.532 nan 8.150 nan 0.000 0.443 81 K N -2.153 118.446 120.400 0.331 0.000 2.365 81 K HA -0.054 4.266 4.320 0.001 0.000 0.199 81 K C 1.770 178.573 176.600 0.338 0.000 1.045 81 K CA 1.052 57.502 56.287 0.272 0.000 0.962 81 K CB -0.171 32.416 32.500 0.145 0.000 0.759 81 K HN 0.603 nan 8.250 nan 0.000 0.469 82 Y N 1.296 121.687 120.300 0.152 0.000 2.243 82 Y HA -0.009 4.542 4.550 0.001 0.000 0.293 82 Y C 1.680 177.647 175.900 0.112 0.000 1.124 82 Y CA 0.906 59.073 58.100 0.112 0.000 1.159 82 Y CB 0.090 38.580 38.460 0.049 0.000 1.008 82 Y HN -0.111 nan 8.280 nan 0.000 0.527 83 I N -0.310 120.301 120.570 0.067 0.000 2.676 83 I HA -0.172 3.998 4.170 0.001 0.000 0.259 83 I C 2.411 178.558 176.117 0.050 0.000 1.194 83 I CA 0.857 62.081 61.300 -0.128 0.000 1.473 83 I CB -0.557 37.133 38.000 -0.516 0.000 1.096 83 I HN 0.240 nan 8.210 nan 0.000 0.443 84 A N 1.396 124.359 122.820 0.239 0.000 1.872 84 A HA -0.140 4.181 4.320 0.001 0.000 0.214 84 A C 2.327 180.136 177.584 0.375 0.000 1.187 84 A CA 1.196 53.447 52.037 0.357 0.000 0.614 84 A CB -0.297 18.827 19.000 0.206 0.000 0.826 84 A HN 0.255 nan 8.150 nan 0.000 0.442 85 K N -1.368 119.268 120.400 0.393 0.000 2.097 85 K HA -0.110 4.210 4.320 0.001 0.000 0.206 85 K C 1.741 178.432 176.600 0.151 0.000 1.049 85 K CA 1.499 57.953 56.287 0.279 0.000 0.933 85 K CB -0.339 32.262 32.500 0.168 0.000 0.717 85 K HN 0.476 nan 8.250 nan 0.000 0.442 86 F N 1.868 121.777 119.950 -0.069 0.000 2.216 86 F HA -0.135 4.393 4.527 0.001 0.000 0.300 86 F C 2.115 177.900 175.800 -0.024 0.000 1.085 86 F CA 1.313 59.238 58.000 -0.125 0.000 1.326 86 F CB 0.179 39.024 39.000 -0.259 0.000 1.027 86 F HN -0.135 nan 8.300 nan 0.000 0.497 87 R N -0.334 120.168 120.500 0.004 0.000 2.128 87 R HA 0.019 4.360 4.340 0.001 0.000 0.211 87 R C 2.132 178.443 176.300 0.018 0.000 1.067 87 R CA 1.254 57.339 56.100 -0.025 0.000 1.010 87 R CB -1.069 29.371 30.300 0.232 0.000 0.922 87 R HN 0.223 nan 8.270 nan 0.000 0.457 88 T N 1.702 116.326 114.554 0.117 0.000 2.653 88 T HA -0.177 4.173 4.350 0.001 0.000 0.267 88 T C -1.120 173.616 174.700 0.061 0.000 1.037 88 T CA 2.055 64.239 62.100 0.141 0.000 1.159 88 T CB -1.057 67.938 68.868 0.212 0.000 0.859 88 T HN 0.227 nan 8.240 nan 0.000 0.449 89 P HA -0.097 nan 4.420 nan 0.000 0.214 89 P C 1.755 179.031 177.300 -0.041 0.000 1.163 89 P CA 1.063 64.145 63.100 -0.031 0.000 0.889 89 P CB -0.027 31.628 31.700 -0.075 0.000 0.790 90 K N -0.363 119.988 120.400 -0.082 0.000 2.009 90 K HA -0.130 4.190 4.320 0.001 0.000 0.210 90 K C 1.928 178.485 176.600 -0.072 0.000 1.049 90 K CA 1.466 57.701 56.287 -0.087 0.000 0.929 90 K CB -1.006 31.422 32.500 -0.118 0.000 0.714 90 K HN 0.071 nan 8.250 nan 0.000 0.440 91 I N 1.438 121.989 120.570 -0.031 0.000 2.394 91 I HA -0.192 3.979 4.170 0.001 0.000 0.251 91 I C 1.996 178.144 176.117 0.052 0.000 1.136 91 I CA 1.241 62.535 61.300 -0.011 0.000 1.425 91 I CB -1.025 37.040 38.000 0.108 0.000 1.079 91 I HN 0.256 nan 8.210 nan 0.000 0.425 92 E N 0.767 121.016 120.200 0.083 0.000 2.106 92 E HA -0.220 4.130 4.350 0.001 0.000 0.192 92 E C 2.141 178.779 176.600 0.063 0.000 0.984 92 E CA 0.791 57.259 56.400 0.113 0.000 0.806 92 E CB -0.056 29.693 29.700 0.083 0.000 0.750 92 E HN 0.403 nan 8.360 nan 0.000 0.458 93 K N 1.043 121.448 120.400 0.008 0.000 2.148 93 K HA -0.191 4.130 4.320 0.001 0.000 0.204 93 K C 2.095 178.680 176.600 -0.025 0.000 1.050 93 K CA 1.136 57.421 56.287 -0.003 0.000 0.942 93 K CB 0.139 32.629 32.500 -0.017 0.000 0.724 93 K HN 0.074 nan 8.250 nan 0.000 0.446 94 Q N -0.774 118.946 119.800 -0.134 0.000 2.016 94 Q HA -0.171 4.170 4.340 0.001 0.000 0.200 94 Q C 1.838 177.694 176.000 -0.241 0.000 0.978 94 Q CA 1.908 57.518 55.803 -0.322 0.000 0.833 94 Q CB -0.154 28.171 28.738 -0.688 0.000 0.895 94 Q HN 0.409 nan 8.270 nan 0.000 0.427 95 Y N -0.081 120.183 120.300 -0.061 0.000 2.274 95 Y HA -0.205 4.345 4.550 0.001 0.000 0.290 95 Y C 2.506 178.410 175.900 0.008 0.000 1.145 95 Y CA 1.011 59.094 58.100 -0.029 0.000 1.203 95 Y CB 0.061 38.489 38.460 -0.053 0.000 0.984 95 Y HN 0.018 nan 8.280 nan 0.000 0.533 96 R N 0.729 121.302 120.500 0.122 0.000 2.096 96 R HA -0.162 4.179 4.340 0.001 0.000 0.235 96 R C 1.779 178.121 176.300 0.070 0.000 1.127 96 R CA 1.703 57.854 56.100 0.084 0.000 0.968 96 R CB -0.140 30.194 30.300 0.056 0.000 0.861 96 R HN 0.360 nan 8.270 nan 0.000 0.440 97 E N -0.034 120.212 120.200 0.076 0.000 2.338 97 E HA -0.109 4.242 4.350 0.001 0.000 0.197 97 E C 0.851 177.492 176.600 0.068 0.000 1.007 97 E CA 1.032 57.475 56.400 0.072 0.000 0.849 97 E CB 0.025 29.793 29.700 0.113 0.000 0.774 97 E HN 0.572 nan 8.360 nan 0.000 0.506 98 I N -4.107 116.522 120.570 0.098 0.000 3.736 98 I HA 0.477 4.647 4.170 0.001 0.000 0.338 98 I C 0.814 176.987 176.117 0.094 0.000 1.558 98 I CA -0.056 61.299 61.300 0.092 0.000 1.147 98 I CB 0.316 38.386 38.000 0.117 0.000 1.275 98 I HN 0.061 nan 8.210 nan 0.000 0.454 99 G N 0.919 109.763 108.800 0.073 0.000 2.176 99 G HA2 -0.109 3.851 3.960 0.001 0.000 0.253 99 G HA3 -0.109 3.851 3.960 0.001 0.000 0.253 99 G C 0.747 175.686 174.900 0.067 0.000 0.979 99 G CA -0.031 45.105 45.100 0.060 0.000 0.641 99 G HN 1.765 nan 8.290 nan 0.000 0.530 100 G N -1.030 107.830 108.800 0.100 0.000 3.450 100 G HA2 0.542 4.503 3.960 0.001 0.000 0.668 100 G HA3 0.542 4.503 3.960 0.001 0.000 0.668 100 G C 1.400 176.342 174.900 0.070 0.000 0.941 100 G CA 0.924 46.083 45.100 0.098 0.000 0.766 100 G HN 2.768 nan 8.290 nan 0.000 0.451 101 G N -0.070 108.770 108.800 0.067 0.000 2.690 101 G HA2 0.377 4.338 3.960 0.001 0.000 0.686 101 G HA3 0.377 4.338 3.960 0.001 0.000 0.686 101 G C 0.157 175.000 174.900 -0.095 0.000 1.277 101 G CA 0.517 45.514 45.100 -0.172 0.000 0.799 101 G HN 2.307 nan 8.290 nan 0.000 0.613 102 S N 0.815 116.301 115.700 -0.357 0.000 2.562 102 S HA 0.708 5.179 4.470 0.001 0.000 0.275 102 S C -0.860 173.727 174.600 -0.022 0.000 1.281 102 S CA -0.807 57.337 58.200 -0.092 0.000 1.045 102 S CB 1.382 64.435 63.200 -0.246 0.000 0.962 102 S HN 0.452 nan 8.310 nan 0.000 0.503 103 P HA 0.257 nan 4.420 nan 0.000 0.255 103 P C 1.053 178.481 177.300 0.213 0.000 1.248 103 P CA 0.065 63.253 63.100 0.148 0.000 0.807 103 P CB 0.073 31.956 31.700 0.304 0.000 1.150 104 I N 0.120 120.791 120.570 0.168 0.000 2.091 104 I HA -0.319 3.851 4.170 0.001 0.000 0.239 104 I C 2.649 178.842 176.117 0.127 0.000 1.061 104 I CA 1.657 63.060 61.300 0.173 0.000 1.317 104 I CB -0.336 37.676 38.000 0.019 0.000 1.031 104 I HN -0.065 nan 8.210 nan 0.000 0.401 105 R N 1.345 121.832 120.500 -0.022 0.000 2.103 105 R HA -0.255 4.086 4.340 0.001 0.000 0.242 105 R C 2.396 178.805 176.300 0.183 0.000 1.142 105 R CA 1.948 58.153 56.100 0.174 0.000 0.960 105 R CB -0.242 30.143 30.300 0.142 0.000 0.858 105 R HN 0.267 nan 8.270 nan 0.000 0.439 106 K N -0.120 120.303 120.400 0.038 0.000 1.991 106 K HA -0.213 4.107 4.320 0.001 0.000 0.212 106 K C 1.898 178.459 176.600 -0.065 0.000 1.049 106 K CA 2.108 58.335 56.287 -0.099 0.000 0.932 106 K CB -0.426 31.882 32.500 -0.319 0.000 0.717 106 K HN 0.328 nan 8.250 nan 0.000 0.441 107 W N 1.106 122.463 121.300 0.094 0.000 2.363 107 W HA -0.122 4.539 4.660 0.001 0.000 0.296 107 W C 2.605 179.226 176.519 0.169 0.000 1.212 107 W CA 0.913 58.320 57.345 0.103 0.000 1.260 107 W CB -0.209 29.277 29.460 0.043 0.000 1.131 107 W HN 0.135 nan 8.180 nan 0.000 0.530 108 S N 0.275 116.206 115.700 0.386 0.000 2.356 108 S HA -0.208 4.263 4.470 0.001 0.000 0.223 108 S C 1.451 176.192 174.600 0.236 0.000 1.032 108 S CA 1.605 59.988 58.200 0.305 0.000 1.005 108 S CB -0.450 62.996 63.200 0.409 0.000 0.867 108 S HN 0.353 nan 8.310 nan 0.000 0.449 109 E N -0.297 120.037 120.200 0.224 0.000 2.110 109 E HA -0.186 4.164 4.350 0.001 0.000 0.193 109 E C 1.829 178.506 176.600 0.129 0.000 0.988 109 E CA 1.199 57.682 56.400 0.139 0.000 0.804 109 E CB -0.220 29.550 29.700 0.117 0.000 0.745 109 E HN 0.669 nan 8.360 nan 0.000 0.458 110 Y N 1.871 122.211 120.300 0.067 0.000 2.133 110 Y HA -0.233 4.317 4.550 0.001 0.000 0.287 110 Y C 2.249 178.210 175.900 0.102 0.000 1.134 110 Y CA 1.798 59.938 58.100 0.068 0.000 1.133 110 Y CB -0.068 38.437 38.460 0.075 0.000 0.987 110 Y HN -0.056 nan 8.280 nan 0.000 0.502 111 Q N 0.219 120.207 119.800 0.314 0.000 2.061 111 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 111 Q C 2.518 178.511 176.000 -0.010 0.000 0.984 111 Q CA 1.720 57.627 55.803 0.174 0.000 0.846 111 Q CB -0.480 28.413 28.738 0.258 0.000 0.902 111 Q HN 0.639 nan 8.270 nan 0.000 0.421 112 A N 0.556 123.382 122.820 0.010 0.000 1.883 112 A HA -0.201 4.120 4.320 0.001 0.000 0.217 112 A C 2.271 179.810 177.584 -0.075 0.000 1.186 112 A CA 1.981 54.006 52.037 -0.020 0.000 0.624 112 A CB -0.965 18.038 19.000 0.005 0.000 0.822 112 A HN 0.359 nan 8.150 nan 0.000 0.444 113 T N -0.060 114.424 114.554 -0.117 0.000 2.746 113 T HA -0.106 4.245 4.350 0.001 0.000 0.267 113 T C 1.805 176.386 174.700 -0.198 0.000 1.039 113 T CA 1.438 63.444 62.100 -0.156 0.000 1.142 113 T CB -0.229 68.540 68.868 -0.164 0.000 0.866 113 T HN 0.447 nan 8.240 nan 0.000 0.444 114 E N 0.766 120.786 120.200 -0.300 0.000 2.110 114 E HA -0.048 4.303 4.350 0.001 0.000 0.193 114 E C 2.472 178.971 176.600 -0.168 0.000 0.988 114 E CA 0.572 56.807 56.400 -0.275 0.000 0.804 114 E CB -0.612 28.865 29.700 -0.371 0.000 0.745 114 E HN 0.301 nan 8.360 nan 0.000 0.458 115 V N 0.589 120.419 119.914 -0.141 0.000 2.358 115 V HA -0.260 3.860 4.120 0.001 0.000 0.246 115 V C 2.514 178.525 176.094 -0.137 0.000 1.047 115 V CA 1.507 63.734 62.300 -0.121 0.000 1.035 115 V CB -0.453 31.328 31.823 -0.071 0.000 0.658 115 V HN 0.309 nan 8.190 nan 0.000 0.452 116 C N -0.391 118.843 119.300 -0.110 0.000 2.422 116 C HA -0.138 4.322 4.460 0.001 0.000 0.279 116 C C 2.721 177.654 174.990 -0.096 0.000 1.305 116 C CA 0.938 59.901 59.018 -0.093 0.000 1.757 116 C CB -0.975 26.744 27.740 -0.035 0.000 1.962 116 C HN 0.533 nan 8.230 nan 0.000 0.499 117 K N 0.512 120.853 120.400 -0.098 0.000 2.097 117 K HA -0.027 4.293 4.320 0.001 0.000 0.205 117 K C 1.696 178.243 176.600 -0.089 0.000 1.050 117 K CA 1.201 57.439 56.287 -0.080 0.000 0.938 117 K CB -0.135 32.313 32.500 -0.087 0.000 0.718 117 K HN 0.505 nan 8.250 nan 0.000 0.442 118 I N 0.878 121.377 120.570 -0.117 0.000 2.286 118 I HA -0.252 3.919 4.170 0.001 0.000 0.245 118 I C 2.007 178.027 176.117 -0.161 0.000 1.104 118 I CA 1.034 62.262 61.300 -0.120 0.000 1.397 118 I CB -0.198 37.727 38.000 -0.125 0.000 1.072 118 I HN 0.114 nan 8.210 nan 0.000 0.417 119 L N 0.386 121.450 121.223 -0.265 0.000 2.127 119 L HA -0.244 4.096 4.340 0.001 0.000 0.211 119 L C 2.067 178.736 176.870 -0.335 0.000 1.089 119 L CA 1.108 55.659 54.840 -0.482 0.000 0.757 119 L CB -0.739 40.725 42.059 -0.992 0.000 0.899 119 L HN 0.295 nan 8.230 nan 0.000 0.434 120 D N 0.350 120.701 120.400 -0.081 0.000 2.144 120 D HA -0.164 4.476 4.640 0.001 0.000 0.199 120 D C 2.164 178.484 176.300 0.034 0.000 0.984 120 D CA 1.270 55.340 54.000 0.116 0.000 0.834 120 D CB 0.054 40.899 40.800 0.076 0.000 0.955 120 D HN 0.379 nan 8.370 nan 0.000 0.465 121 K N -0.318 120.068 120.400 -0.023 0.000 2.098 121 K HA 0.031 4.351 4.320 0.001 0.000 0.203 121 K C 2.168 178.748 176.600 -0.034 0.000 1.051 121 K CA 0.706 56.977 56.287 -0.025 0.000 0.957 121 K CB -0.031 32.448 32.500 -0.035 0.000 0.738 121 K HN -0.061 nan 8.250 nan 0.000 0.447 122 T N 0.437 114.953 114.554 -0.063 0.000 2.857 122 T HA -0.041 4.309 4.350 0.001 0.000 0.266 122 T C 0.713 175.381 174.700 -0.052 0.000 1.048 122 T CA 0.746 62.804 62.100 -0.069 0.000 1.139 122 T CB 0.050 68.856 68.868 -0.103 0.000 0.874 122 T HN 0.195 nan 8.240 nan 0.000 0.455 123 C N 2.319 121.596 119.300 -0.038 0.000 2.621 123 C HA 0.388 4.848 4.460 0.001 0.000 0.272 123 C C -1.582 173.476 174.990 0.114 0.000 1.119 123 C CA -1.464 57.570 59.018 0.026 0.000 1.593 123 C CB 0.665 28.425 27.740 0.033 0.000 1.749 123 C HN 0.361 nan 8.230 nan 0.000 0.420 124 P HA -0.148 nan 4.420 nan 0.000 0.217 124 P C 1.484 178.789 177.300 0.009 0.000 1.150 124 P CA 1.210 64.331 63.100 0.034 0.000 0.832 124 P CB 0.091 31.795 31.700 0.006 0.000 0.787 125 E N -0.262 119.938 120.200 -0.001 0.000 2.472 125 E HA -0.082 4.269 4.350 0.001 0.000 0.200 125 E C 0.397 176.968 176.600 -0.049 0.000 1.046 125 E CA 1.253 57.637 56.400 -0.026 0.000 0.871 125 E CB -0.930 28.753 29.700 -0.028 0.000 0.806 125 E HN 0.239 nan 8.360 nan 0.000 0.533 126 T N -3.129 111.396 114.554 -0.047 0.000 3.182 126 T HA 0.624 4.975 4.350 0.001 0.000 0.277 126 T C 1.294 175.757 174.700 -0.395 0.000 1.013 126 T CA -0.015 61.992 62.100 -0.155 0.000 0.900 126 T CB 0.710 69.552 68.868 -0.044 0.000 1.098 126 T HN 0.276 nan 8.240 nan 0.000 0.543 127 A N 3.097 125.801 122.820 -0.193 0.000 2.444 127 A HA -0.184 4.136 4.320 0.001 0.000 0.267 127 A C -1.639 175.790 177.584 -0.259 0.000 2.810 127 A CA 1.495 53.440 52.037 -0.154 0.000 1.029 127 A CB -2.486 16.457 19.000 -0.095 0.000 0.520 127 A HN 0.549 nan 8.150 nan 0.000 0.443 128 P HA 0.361 nan 4.420 nan 0.000 0.269 128 P C -1.061 176.059 177.300 -0.299 0.000 1.263 128 P CA 0.472 63.463 63.100 -0.181 0.000 0.813 128 P CB -0.017 31.613 31.700 -0.116 0.000 0.868 129 H N 2.040 121.075 119.070 -0.057 0.000 2.552 129 H HA 0.336 4.892 4.556 0.001 0.000 0.311 129 H C 0.401 175.674 175.328 -0.090 0.000 1.071 129 H CA -0.170 55.842 56.048 -0.060 0.000 1.307 129 H CB 0.977 30.704 29.762 -0.059 0.000 1.416 129 H HN 0.126 nan 8.280 nan 0.000 0.464 130 K N 4.822 125.202 120.400 -0.033 0.000 2.206 130 K HA 0.294 4.615 4.320 0.001 0.000 0.264 130 K C -2.706 173.678 176.600 -0.361 0.000 0.967 130 K CA -2.057 54.102 56.287 -0.213 0.000 0.844 130 K CB 1.622 33.954 32.500 -0.280 0.000 1.099 130 K HN 0.385 nan 8.250 nan 0.000 0.441 131 P HA 0.085 nan 4.420 nan 0.000 0.271 131 P C -1.414 175.570 177.300 -0.527 0.000 1.216 131 P CA 0.194 63.109 63.100 -0.307 0.000 0.771 131 P CB 0.310 31.888 31.700 -0.202 0.000 0.864 132 Y N 0.481 120.782 120.300 0.001 0.000 2.519 132 Y HA 0.449 4.999 4.550 0.001 0.000 0.336 132 Y C -0.182 175.691 175.900 -0.045 0.000 1.089 132 Y CA -0.978 57.113 58.100 -0.015 0.000 1.025 132 Y CB 1.664 40.122 38.460 -0.002 0.000 1.318 132 Y HN 0.177 nan 8.280 nan 0.000 0.452 133 V N -0.514 119.432 119.914 0.053 0.000 2.914 133 V HA 1.065 5.185 4.120 0.001 0.000 0.314 133 V C -0.921 174.958 176.094 -0.359 0.000 1.084 133 V CA -1.094 61.081 62.300 -0.209 0.000 0.963 133 V CB 1.744 33.347 31.823 -0.367 0.000 1.025 133 V HN 1.174 nan 8.190 nan 0.000 0.432 134 A N 3.378 125.899 122.820 -0.498 0.000 2.476 134 A HA 0.829 5.150 4.320 0.001 0.000 0.280 134 A C -1.164 176.218 177.584 -0.336 0.000 1.081 134 A CA -0.388 51.438 52.037 -0.351 0.000 0.753 134 A CB 0.692 19.636 19.000 -0.092 0.000 1.248 134 A HN 0.811 nan 8.150 nan 0.000 0.424 135 F N 0.980 120.979 119.950 0.081 0.000 2.399 135 F HA 0.556 5.084 4.527 0.001 0.000 0.328 135 F C 1.520 177.314 175.800 -0.011 0.000 1.084 135 F CA -0.950 57.092 58.000 0.070 0.000 1.053 135 F CB 1.665 40.738 39.000 0.122 0.000 1.209 135 F HN 0.710 nan 8.300 nan 0.000 0.502 136 R N 0.862 121.409 120.500 0.078 0.000 2.153 136 R HA 0.002 4.342 4.340 0.001 0.000 0.218 136 R C 0.523 176.527 176.300 -0.494 0.000 1.072 136 R CA 1.741 57.648 56.100 -0.321 0.000 0.990 136 R CB -0.302 29.631 30.300 -0.612 0.000 0.889 136 R HN 0.810 nan 8.270 nan 0.000 0.452 137 Y N -2.307 118.064 120.300 0.119 0.000 2.494 137 Y HA 0.519 5.069 4.550 0.001 0.000 0.271 137 Y C 0.642 176.654 175.900 0.186 0.000 1.113 137 Y CA -0.324 57.748 58.100 -0.047 0.000 1.240 137 Y CB 0.418 38.605 38.460 -0.455 0.000 1.268 137 Y HN 0.059 nan 8.280 nan 0.000 0.510 138 A N 1.196 124.338 122.820 0.537 0.000 2.256 138 A HA 0.556 4.876 4.320 0.001 0.000 0.318 138 A C -0.495 177.334 177.584 0.409 0.000 1.103 138 A CA -0.676 51.644 52.037 0.471 0.000 0.860 138 A CB 0.578 19.687 19.000 0.181 0.000 1.182 138 A HN 0.172 nan 8.150 nan 0.000 0.501 139 K N 0.845 121.445 120.400 0.332 0.000 2.205 139 K HA 0.455 4.776 4.320 0.001 0.000 0.279 139 K C -2.711 174.170 176.600 0.468 0.000 1.027 139 K CA -1.408 55.070 56.287 0.319 0.000 0.932 139 K CB 0.724 33.346 32.500 0.204 0.000 1.032 139 K HN 0.372 nan 8.250 nan 0.000 0.466 140 P HA 0.122 nan 4.420 nan 0.000 0.292 140 P C -0.449 176.923 177.300 0.120 0.000 1.287 140 P CA -0.617 62.577 63.100 0.156 0.000 0.800 140 P CB 0.585 32.334 31.700 0.080 0.000 0.945 141 L N 2.421 123.720 121.223 0.127 0.000 2.461 141 L HA 0.043 4.384 4.340 0.001 0.000 0.259 141 L C 1.944 178.842 176.870 0.047 0.000 1.248 141 L CA 0.753 55.648 54.840 0.092 0.000 0.823 141 L CB -0.939 41.168 42.059 0.079 0.000 1.111 141 L HN 0.434 nan 8.230 nan 0.000 0.516 142 T N 1.012 115.583 114.554 0.029 0.000 2.684 142 T HA -0.177 4.173 4.350 0.001 0.000 0.267 142 T C 1.836 176.588 174.700 0.085 0.000 1.036 142 T CA 1.558 63.680 62.100 0.035 0.000 1.148 142 T CB -0.128 68.746 68.868 0.010 0.000 0.863 142 T HN 0.706 nan 8.240 nan 0.000 0.436 143 A N 1.429 124.283 122.820 0.057 0.000 1.883 143 A HA -0.208 4.113 4.320 0.001 0.000 0.217 143 A C 2.246 179.886 177.584 0.095 0.000 1.186 143 A CA 2.125 54.197 52.037 0.059 0.000 0.624 143 A CB -0.742 18.266 19.000 0.013 0.000 0.822 143 A HN 0.648 nan 8.150 nan 0.000 0.444 144 E N -0.919 119.328 120.200 0.078 0.000 2.038 144 E HA -0.181 4.169 4.350 0.001 0.000 0.195 144 E C 1.975 178.622 176.600 0.079 0.000 1.000 144 E CA 1.778 58.225 56.400 0.078 0.000 0.803 144 E CB -0.217 29.529 29.700 0.077 0.000 0.750 144 E HN 0.535 nan 8.360 nan 0.000 0.448 145 T N -0.158 114.433 114.554 0.062 0.000 2.833 145 T HA -0.164 4.186 4.350 0.001 0.000 0.269 145 T C 1.400 176.084 174.700 -0.027 0.000 1.054 145 T CA 1.222 63.329 62.100 0.011 0.000 1.135 145 T CB -0.440 68.416 68.868 -0.020 0.000 0.869 145 T HN 0.329 nan 8.240 nan 0.000 0.466 146 Y N 1.794 122.080 120.300 -0.024 0.000 2.145 146 Y HA -0.174 4.377 4.550 0.001 0.000 0.286 146 Y C 2.389 178.285 175.900 -0.007 0.000 1.145 146 Y CA 1.351 59.457 58.100 0.009 0.000 1.148 146 Y CB 0.006 38.483 38.460 0.027 0.000 0.981 146 Y HN 0.099 nan 8.280 nan 0.000 0.507 147 K N -0.481 120.059 120.400 0.233 0.000 2.063 147 K HA -0.298 4.022 4.320 0.001 0.000 0.208 147 K C 2.101 178.754 176.600 0.089 0.000 1.048 147 K CA 1.781 58.157 56.287 0.147 0.000 0.928 147 K CB -0.268 32.289 32.500 0.096 0.000 0.713 147 K HN 0.222 nan 8.250 nan 0.000 0.442 148 Q N 0.951 120.785 119.800 0.055 0.000 2.084 148 Q HA -0.063 4.278 4.340 0.001 0.000 0.202 148 Q C 1.912 177.913 176.000 0.002 0.000 0.978 148 Q CA 1.669 57.502 55.803 0.050 0.000 0.844 148 Q CB -0.042 28.748 28.738 0.087 0.000 0.898 148 Q HN 0.285 nan 8.270 nan 0.000 0.426 149 M N -0.734 118.767 119.600 -0.165 0.000 2.117 149 M HA -0.147 4.334 4.480 0.001 0.000 0.262 149 M C 1.992 178.236 176.300 -0.094 0.000 1.065 149 M CA 1.289 56.416 55.300 -0.287 0.000 1.114 149 M CB -0.284 31.979 32.600 -0.563 0.000 1.361 149 M HN 0.211 nan 8.290 nan 0.000 0.408 150 L N -0.311 120.907 121.223 -0.008 0.000 2.131 150 L HA -0.181 4.160 4.340 0.001 0.000 0.210 150 L C 2.288 179.186 176.870 0.046 0.000 1.092 150 L CA 0.904 55.780 54.840 0.060 0.000 0.759 150 L CB -0.462 41.689 42.059 0.153 0.000 0.903 150 L HN 0.165 nan 8.230 nan 0.000 0.435 151 K N -0.424 120.005 120.400 0.048 0.000 2.459 151 K HA -0.059 4.261 4.320 0.001 0.000 0.193 151 K C 1.104 177.731 176.600 0.045 0.000 1.030 151 K CA 0.680 56.995 56.287 0.046 0.000 1.026 151 K CB -0.000 32.530 32.500 0.051 0.000 0.809 151 K HN 0.136 nan 8.250 nan 0.000 0.504 152 D N -0.923 119.506 120.400 0.048 0.000 2.367 152 D HA 0.139 4.780 4.640 0.001 0.000 0.207 152 D C 0.333 176.653 176.300 0.033 0.000 1.034 152 D CA 0.742 54.779 54.000 0.061 0.000 0.861 152 D CB 0.612 41.491 40.800 0.133 0.000 0.943 152 D HN 0.249 nan 8.370 nan 0.000 0.515 153 G N 1.203 110.013 108.800 0.016 0.000 2.248 153 G HA2 -0.252 3.709 3.960 0.001 0.000 0.263 153 G HA3 -0.252 3.709 3.960 0.001 0.000 0.263 153 G C 0.227 175.113 174.900 -0.022 0.000 1.082 153 G CA 0.030 45.130 45.100 0.000 0.000 0.863 153 G HN 0.224 nan 8.290 nan 0.000 0.495 154 V N 0.067 119.955 119.914 -0.044 0.000 2.488 154 V HA 0.262 4.382 4.120 0.001 0.000 0.277 154 V C 1.507 177.529 176.094 -0.120 0.000 1.046 154 V CA 0.729 62.975 62.300 -0.090 0.000 0.986 154 V CB 1.444 33.178 31.823 -0.148 0.000 0.989 154 V HN 0.492 nan 8.190 nan 0.000 0.475 155 K N 2.915 123.243 120.400 -0.120 0.000 2.141 155 K HA 0.215 4.535 4.320 0.001 0.000 0.202 155 K C 0.468 176.966 176.600 -0.170 0.000 1.045 155 K CA 0.571 56.791 56.287 -0.112 0.000 0.971 155 K CB 0.296 32.747 32.500 -0.082 0.000 0.795 155 K HN 0.456 nan 8.250 nan 0.000 0.459 156 K N 0.475 120.755 120.400 -0.199 0.000 2.207 156 K HA 0.561 4.882 4.320 0.001 0.000 0.255 156 K C -1.335 175.052 176.600 -0.355 0.000 0.941 156 K CA -0.566 55.577 56.287 -0.240 0.000 0.825 156 K CB 2.155 34.564 32.500 -0.151 0.000 1.119 156 K HN 0.040 nan 8.250 nan 0.000 0.430 157 A N 1.726 124.231 122.820 -0.525 0.000 2.515 157 A HA 0.613 4.933 4.320 0.001 0.000 0.298 157 A C -1.328 176.074 177.584 -0.304 0.000 1.059 157 A CA -0.678 50.955 52.037 -0.674 0.000 0.698 157 A CB 1.580 19.570 19.000 -1.683 0.000 1.289 157 A HN 0.361 nan 8.150 nan 0.000 0.404 158 V N 1.415 121.307 119.914 -0.037 0.000 2.378 158 V HA 0.612 4.733 4.120 0.001 0.000 0.288 158 V C 0.521 176.842 176.094 0.378 0.000 1.016 158 V CA -0.261 62.169 62.300 0.217 0.000 0.840 158 V CB 1.346 33.265 31.823 0.159 0.000 0.994 158 V HN 1.286 nan 8.190 nan 0.000 0.431 159 A N 5.869 129.018 122.820 0.548 0.000 2.527 159 A HA 0.476 4.797 4.320 0.001 0.000 0.313 159 A C -0.373 177.448 177.584 0.394 0.000 1.410 159 A CA -0.187 52.166 52.037 0.526 0.000 1.060 159 A CB -0.306 19.007 19.000 0.521 0.000 1.137 159 A HN 0.856 nan 8.150 nan 0.000 0.542 160 F N 4.199 124.244 119.950 0.157 0.000 2.377 160 F HA 0.269 4.796 4.527 0.001 0.000 0.360 160 F C 0.811 176.707 175.800 0.160 0.000 1.147 160 F CA -0.707 57.340 58.000 0.078 0.000 1.170 160 F CB 0.448 39.448 39.000 0.000 0.000 1.339 160 F HN 0.519 nan 8.300 nan 0.000 0.552 161 S N 4.672 120.720 115.700 0.580 0.000 2.516 161 S HA 0.010 4.480 4.470 0.001 0.000 0.282 161 S C 0.939 175.768 174.600 0.381 0.000 1.286 161 S CA -0.293 58.171 58.200 0.440 0.000 1.066 161 S CB 1.101 64.613 63.200 0.520 0.000 0.884 161 S HN 0.875 nan 8.310 nan 0.000 0.491 162 Q N 2.986 122.824 119.800 0.063 0.000 2.472 162 Q HA 0.012 4.352 4.340 0.001 0.000 0.208 162 Q C -0.681 175.278 176.000 -0.069 0.000 0.958 162 Q CA 0.635 56.389 55.803 -0.083 0.000 0.932 162 Q CB 0.091 28.647 28.738 -0.303 0.000 1.007 162 Q HN 0.779 nan 8.270 nan 0.000 0.508 163 Y N 0.213 120.632 120.300 0.198 0.000 2.425 163 Y HA 0.127 4.678 4.550 0.001 0.000 0.347 163 Y C -1.606 174.147 175.900 -0.244 0.000 0.976 163 Y CA -2.445 55.685 58.100 0.051 0.000 1.190 163 Y CB 0.917 39.466 38.460 0.148 0.000 1.136 163 Y HN 0.018 nan 8.280 nan 0.000 0.517 164 P HA -0.135 nan 4.420 nan 0.000 0.220 164 P C -0.401 176.492 177.300 -0.677 0.000 1.148 164 P CA 1.499 63.782 63.100 -1.363 0.000 0.803 164 P CB 0.279 31.095 31.700 -1.475 0.000 0.782 165 H N -1.032 118.097 119.070 0.099 0.000 2.556 165 H HA 0.199 4.756 4.556 0.000 0.000 0.310 165 H C -0.421 175.133 175.328 0.377 0.000 1.057 165 H CA -1.131 55.077 56.048 0.265 0.000 1.264 165 H CB 0.198 30.137 29.762 0.296 0.000 1.404 165 H HN 0.020 nan 8.280 nan 0.000 0.462 166 F N 2.574 122.708 119.950 0.307 0.000 2.456 166 F HA 0.248 4.776 4.527 0.002 0.000 0.358 166 F C 0.252 176.191 175.800 0.231 0.000 1.095 166 F CA 0.122 58.267 58.000 0.241 0.000 1.216 166 F CB 0.865 39.993 39.000 0.213 0.000 1.125 166 F HN 0.353 nan 8.300 nan 0.000 0.549 167 S N 5.018 120.319 115.700 -0.665 0.000 2.541 167 S HA 0.213 4.683 4.470 0.001 0.000 0.280 167 S C 0.141 174.197 174.600 -0.907 0.000 1.112 167 S CA -0.632 57.263 58.200 -0.508 0.000 0.925 167 S CB 0.836 63.696 63.200 -0.567 0.000 1.067 167 S HN 0.753 nan 8.310 nan 0.000 0.479 168 Y N 3.675 123.659 120.300 -0.526 0.000 2.421 168 Y HA -0.047 4.504 4.550 0.001 0.000 0.292 168 Y C 2.392 178.074 175.900 -0.363 0.000 1.136 168 Y CA 2.139 59.994 58.100 -0.408 0.000 1.255 168 Y CB 0.039 38.397 38.460 -0.170 0.000 0.991 168 Y HN 0.761 nan 8.280 nan 0.000 0.552 169 S N -2.050 113.498 115.700 -0.253 0.000 2.522 169 S HA -0.074 4.396 4.470 0.001 0.000 0.227 169 S C 1.424 175.830 174.600 -0.324 0.000 0.986 169 S CA 0.991 59.050 58.200 -0.236 0.000 0.929 169 S CB -0.671 62.411 63.200 -0.197 0.000 0.769 169 S HN 0.569 nan 8.310 nan 0.000 0.529 170 T N -1.654 112.614 114.554 -0.477 0.000 3.518 170 T HA 0.144 4.494 4.350 0.001 0.000 0.211 170 T C 1.755 176.249 174.700 -0.343 0.000 0.940 170 T CA 0.768 62.589 62.100 -0.465 0.000 1.307 170 T CB -1.073 67.281 68.868 -0.857 0.000 1.392 170 T HN 0.130 nan 8.240 nan 0.000 0.382 171 T N 1.730 116.041 114.554 -0.406 0.000 2.849 171 T HA 0.079 4.430 4.350 0.001 0.000 0.270 171 T C 2.104 176.731 174.700 -0.122 0.000 1.066 171 T CA 1.425 63.450 62.100 -0.126 0.000 1.130 171 T CB -0.970 67.894 68.868 -0.007 0.000 0.864 171 T HN 0.629 nan 8.240 nan 0.000 0.481 172 G N 0.282 108.791 108.800 -0.486 0.000 2.421 172 G HA2 -0.139 3.822 3.960 0.001 0.000 0.217 172 G HA3 -0.139 3.822 3.960 0.001 0.000 0.217 172 G C 1.807 176.427 174.900 -0.466 0.000 1.143 172 G CA 0.928 45.727 45.100 -0.501 0.000 0.784 172 G HN 0.502 nan 8.290 nan 0.000 0.541 173 S N 0.374 115.838 115.700 -0.394 0.000 2.355 173 S HA -0.088 4.382 4.470 0.001 0.000 0.222 173 S C 2.718 177.244 174.600 -0.124 0.000 1.031 173 S CA 1.753 59.805 58.200 -0.247 0.000 0.993 173 S CB -0.355 62.721 63.200 -0.206 0.000 0.859 173 S HN 0.312 nan 8.310 nan 0.000 0.453 174 S N 1.409 117.064 115.700 -0.074 0.000 2.370 174 S HA -0.037 4.433 4.470 0.001 0.000 0.226 174 S C 1.740 176.370 174.600 0.049 0.000 1.033 174 S CA 1.554 59.752 58.200 -0.002 0.000 1.011 174 S CB -0.478 62.768 63.200 0.077 0.000 0.852 174 S HN 0.526 nan 8.310 nan 0.000 0.457 175 I N 1.964 122.610 120.570 0.126 0.000 2.361 175 I HA -0.180 3.991 4.170 0.001 0.000 0.251 175 I C 1.965 178.188 176.117 0.177 0.000 1.133 175 I CA 0.829 62.255 61.300 0.210 0.000 1.413 175 I CB -0.368 37.877 38.000 0.409 0.000 1.073 175 I HN 0.237 nan 8.210 nan 0.000 0.424 176 N N 0.263 119.056 118.700 0.155 0.000 2.270 176 N HA -0.142 4.598 4.740 0.001 0.000 0.181 176 N C 1.823 177.404 175.510 0.119 0.000 1.016 176 N CA 0.880 54.040 53.050 0.183 0.000 0.870 176 N CB -0.135 38.425 38.487 0.121 0.000 0.979 176 N HN 0.293 nan 8.380 nan 0.000 0.431 177 E N 1.326 121.547 120.200 0.035 0.000 2.072 177 E HA -0.037 4.313 4.350 0.001 0.000 0.190 177 E C 2.028 178.615 176.600 -0.022 0.000 0.982 177 E CA 0.075 56.467 56.400 -0.012 0.000 0.803 177 E CB -0.287 29.384 29.700 -0.049 0.000 0.755 177 E HN 0.266 nan 8.360 nan 0.000 0.453 178 L N 0.213 121.419 121.223 -0.028 0.000 2.013 178 L HA -0.211 4.130 4.340 0.001 0.000 0.212 178 L C 2.350 179.189 176.870 -0.051 0.000 1.073 178 L CA 1.730 56.502 54.840 -0.114 0.000 0.753 178 L CB -0.533 41.386 42.059 -0.233 0.000 0.890 178 L HN 0.396 nan 8.230 nan 0.000 0.432 179 W N 0.957 122.122 121.300 -0.224 0.000 2.355 179 W HA -0.283 4.379 4.660 0.002 0.000 0.309 179 W C 2.601 179.018 176.519 -0.170 0.000 1.206 179 W CA 1.025 58.242 57.345 -0.212 0.000 1.284 179 W CB -0.120 29.255 29.460 -0.142 0.000 1.145 179 W HN 0.137 nan 8.180 nan 0.000 0.502 180 R N -0.214 120.178 120.500 -0.179 0.000 2.091 180 R HA -0.221 4.120 4.340 0.001 0.000 0.238 180 R C 2.378 178.482 176.300 -0.327 0.000 1.136 180 R CA 1.808 57.715 56.100 -0.322 0.000 0.959 180 R CB -0.508 29.689 30.300 -0.172 0.000 0.856 180 R HN 0.208 nan 8.270 nan 0.000 0.437 181 Q N 0.353 120.002 119.800 -0.251 0.000 2.119 181 Q HA -0.071 4.270 4.340 0.001 0.000 0.201 181 Q C 2.202 177.885 176.000 -0.529 0.000 0.972 181 Q CA 1.196 56.802 55.803 -0.328 0.000 0.847 181 Q CB -0.117 28.490 28.738 -0.218 0.000 0.903 181 Q HN 0.437 nan 8.270 nan 0.000 0.433 182 I N 0.679 121.005 120.570 -0.408 0.000 2.264 182 I HA -0.297 3.874 4.170 0.001 0.000 0.248 182 I C 2.045 177.953 176.117 -0.347 0.000 1.111 182 I CA 1.282 62.389 61.300 -0.322 0.000 1.382 182 I CB -0.120 37.902 38.000 0.037 0.000 1.060 182 I HN 0.158 nan 8.210 nan 0.000 0.418 183 K N 0.523 120.626 120.400 -0.496 0.000 2.155 183 K HA -0.030 4.291 4.320 0.001 0.000 0.203 183 K C 2.092 178.492 176.600 -0.333 0.000 1.052 183 K CA 1.309 57.301 56.287 -0.491 0.000 0.948 183 K CB -0.097 31.968 32.500 -0.724 0.000 0.728 183 K HN 0.299 nan 8.250 nan 0.000 0.448 184 A N 0.270 122.894 122.820 -0.327 0.000 1.956 184 A HA 0.103 4.424 4.320 0.001 0.000 0.212 184 A C 1.679 179.129 177.584 -0.224 0.000 1.188 184 A CA 0.601 52.492 52.037 -0.242 0.000 0.675 184 A CB 0.010 18.882 19.000 -0.214 0.000 0.845 184 A HN 0.124 nan 8.150 nan 0.000 0.455 185 L N -1.133 119.897 121.223 -0.321 0.000 2.640 185 L HA 0.262 4.603 4.340 0.001 0.000 0.230 185 L C 0.131 176.854 176.870 -0.244 0.000 1.123 185 L CA 0.303 54.969 54.840 -0.290 0.000 0.900 185 L CB 0.357 42.180 42.059 -0.393 0.000 1.146 185 L HN 0.231 nan 8.230 nan 0.000 0.484 186 D N -0.840 119.420 120.400 -0.233 0.000 3.453 186 D HA 0.006 4.647 4.640 0.001 0.000 0.312 186 D C 1.290 177.569 176.300 -0.035 0.000 1.349 186 D CA 0.290 54.250 54.000 -0.066 0.000 0.739 186 D CB 0.386 41.219 40.800 0.055 0.000 1.312 186 D HN 0.014 nan 8.370 nan 0.000 0.628 187 S N -0.217 115.444 115.700 -0.065 0.000 2.440 187 S HA -0.172 4.298 4.470 0.001 0.000 0.238 187 S C 1.076 175.680 174.600 0.006 0.000 1.010 187 S CA 0.827 58.996 58.200 -0.052 0.000 0.972 187 S CB -0.156 63.005 63.200 -0.065 0.000 0.774 187 S HN 0.423 nan 8.310 nan 0.000 0.501 188 E N 1.388 121.607 120.200 0.030 0.000 2.437 188 E HA 0.152 4.502 4.350 0.001 0.000 0.195 188 E C -0.604 176.052 176.600 0.094 0.000 1.029 188 E CA -0.477 55.956 56.400 0.055 0.000 0.948 188 E CB -0.017 29.708 29.700 0.042 0.000 1.082 188 E HN 0.468 nan 8.360 nan 0.000 0.456 189 R N 1.046 121.620 120.500 0.124 0.000 2.470 189 R HA -0.183 4.157 4.340 0.001 0.000 0.230 189 R C 0.792 177.197 176.300 0.176 0.000 0.785 189 R CA 0.721 56.938 56.100 0.195 0.000 0.566 189 R CB -2.071 28.375 30.300 0.244 0.000 1.388 189 R HN 0.286 nan 8.270 nan 0.000 0.534 190 S N -0.138 115.655 115.700 0.154 0.000 2.489 190 S HA 0.058 4.529 4.470 0.001 0.000 0.228 190 S C 1.078 175.728 174.600 0.083 0.000 0.995 190 S CA 0.226 58.487 58.200 0.103 0.000 0.934 190 S CB 0.270 63.521 63.200 0.084 0.000 0.771 190 S HN 0.506 nan 8.310 nan 0.000 0.522 191 I N 1.654 122.306 120.570 0.137 0.000 2.377 191 I HA 0.320 4.490 4.170 0.001 0.000 0.293 191 I C -0.140 176.010 176.117 0.055 0.000 0.987 191 I CA -0.517 60.791 61.300 0.015 0.000 1.185 191 I CB 1.862 39.831 38.000 -0.053 0.000 1.341 191 I HN 0.054 nan 8.210 nan 0.000 0.455 192 S N 6.206 121.859 115.700 -0.079 0.000 2.434 192 S HA 0.355 4.826 4.470 0.001 0.000 0.318 192 S C -0.932 173.647 174.600 -0.034 0.000 1.062 192 S CA -0.567 57.644 58.200 0.019 0.000 1.116 192 S CB 0.034 63.224 63.200 -0.016 0.000 0.977 192 S HN 0.377 nan 8.310 nan 0.000 0.480 193 W N 3.191 124.586 121.300 0.158 0.000 2.303 193 W HA 0.574 5.234 4.660 0.000 0.000 0.334 193 W C 0.639 177.421 176.519 0.440 0.000 1.197 193 W CA -0.287 57.202 57.345 0.240 0.000 1.262 193 W CB 1.196 30.759 29.460 0.172 0.000 1.153 193 W HN 0.663 nan 8.180 nan 0.000 0.596 194 S N 0.677 116.837 115.700 0.768 0.000 2.579 194 S HA 0.784 5.254 4.470 0.001 0.000 0.272 194 S C -1.671 173.234 174.600 0.508 0.000 1.141 194 S CA -1.044 57.511 58.200 0.591 0.000 0.843 194 S CB 1.794 65.229 63.200 0.391 0.000 1.122 194 S HN 0.601 nan 8.310 nan 0.000 0.468 195 V N 1.937 121.910 119.914 0.098 0.000 2.709 195 V HA 0.610 4.731 4.120 0.001 0.000 0.308 195 V C -1.414 174.555 176.094 -0.208 0.000 1.062 195 V CA -1.105 61.195 62.300 -0.000 0.000 0.901 195 V CB 1.595 33.348 31.823 -0.116 0.000 1.003 195 V HN 0.986 nan 8.190 nan 0.000 0.425 196 I N 6.979 127.406 120.570 -0.239 0.000 2.310 196 I HA 0.335 4.506 4.170 0.001 0.000 0.287 196 I C 0.782 176.978 176.117 0.131 0.000 1.073 196 I CA -0.269 60.865 61.300 -0.277 0.000 1.216 196 I CB 1.037 38.734 38.000 -0.505 0.000 1.415 196 I HN 0.802 nan 8.210 nan 0.000 0.480 197 D N 7.046 127.543 120.400 0.162 0.000 2.349 197 D HA -0.019 4.622 4.640 0.001 0.000 0.215 197 D C 0.530 177.096 176.300 0.444 0.000 1.016 197 D CA 0.080 54.271 54.000 0.319 0.000 0.870 197 D CB 0.583 41.485 40.800 0.170 0.000 0.917 197 D HN 0.571 nan 8.370 nan 0.000 0.524 198 R N -0.872 119.894 120.500 0.443 0.000 2.824 198 R HA 0.284 4.624 4.340 0.001 0.000 0.267 198 R C -1.856 174.770 176.300 0.543 0.000 1.035 198 R CA -1.005 55.361 56.100 0.443 0.000 0.887 198 R CB 0.064 30.550 30.300 0.310 0.000 1.262 198 R HN 0.139 nan 8.270 nan 0.000 0.487 199 W N 1.146 122.522 121.300 0.127 0.000 0.885 199 W HA 0.247 4.907 4.660 -0.000 0.000 0.320 199 W C -2.635 173.934 176.519 0.083 0.000 0.884 199 W CA -1.596 55.807 57.345 0.097 0.000 1.281 199 W CB -0.220 29.301 29.460 0.102 0.000 1.324 199 W HN 0.502 nan 8.180 nan 0.000 0.495 200 P HA -0.147 nan 4.420 nan 0.000 0.219 200 P C 1.088 178.465 177.300 0.128 0.000 1.146 200 P CA 2.349 65.465 63.100 0.026 0.000 0.808 200 P CB 0.026 31.820 31.700 0.157 0.000 0.779 201 T N -3.912 110.745 114.554 0.170 0.000 3.415 201 T HA 0.121 4.472 4.350 0.001 0.000 0.282 201 T C 0.352 175.168 174.700 0.194 0.000 1.007 201 T CA -0.802 61.399 62.100 0.169 0.000 0.958 201 T CB -1.057 67.889 68.868 0.131 0.000 1.171 201 T HN -0.004 nan 8.240 nan 0.000 0.500 202 N N 1.632 120.498 118.700 0.277 0.000 2.458 202 N HA -0.011 4.730 4.740 0.001 0.000 0.258 202 N C 0.846 176.481 175.510 0.209 0.000 1.219 202 N CA 0.209 53.418 53.050 0.265 0.000 0.902 202 N CB 0.922 39.663 38.487 0.422 0.000 1.076 202 N HN 0.446 nan 8.380 nan 0.000 0.455 203 E N 2.687 122.969 120.200 0.136 0.000 2.085 203 E HA -0.183 4.167 4.350 0.001 0.000 0.194 203 E C 1.666 178.340 176.600 0.123 0.000 0.994 203 E CA 1.593 58.059 56.400 0.110 0.000 0.801 203 E CB -0.229 29.511 29.700 0.067 0.000 0.743 203 E HN 0.865 nan 8.360 nan 0.000 0.453 204 G N 1.086 109.956 108.800 0.116 0.000 2.422 204 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 204 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 204 G C 1.535 176.565 174.900 0.217 0.000 1.140 204 G CA 0.400 45.571 45.100 0.117 0.000 0.775 204 G HN 0.113 nan 8.290 nan 0.000 0.545 205 L N 0.789 122.199 121.223 0.311 0.000 2.005 205 L HA 0.030 4.370 4.340 0.001 0.000 0.207 205 L C 2.601 179.678 176.870 0.346 0.000 1.072 205 L CA 1.330 56.421 54.840 0.418 0.000 0.744 205 L CB -0.283 42.077 42.059 0.502 0.000 0.895 205 L HN 0.077 nan 8.230 nan 0.000 0.433 206 I N -0.297 120.448 120.570 0.292 0.000 2.264 206 I HA -0.284 3.887 4.170 0.001 0.000 0.248 206 I C 2.447 178.681 176.117 0.195 0.000 1.111 206 I CA 1.406 62.855 61.300 0.247 0.000 1.382 206 I CB -1.349 36.740 38.000 0.148 0.000 1.060 206 I HN 0.379 nan 8.210 nan 0.000 0.418 207 K N 0.734 121.223 120.400 0.148 0.000 2.062 207 K HA -0.037 4.284 4.320 0.001 0.000 0.205 207 K C 2.264 178.916 176.600 0.087 0.000 1.051 207 K CA 1.303 57.650 56.287 0.100 0.000 0.941 207 K CB -0.063 32.483 32.500 0.077 0.000 0.719 207 K HN 0.267 nan 8.250 nan 0.000 0.440 208 A N 0.833 123.699 122.820 0.076 0.000 1.902 208 A HA -0.136 4.185 4.320 0.001 0.000 0.217 208 A C 1.968 179.512 177.584 -0.067 0.000 1.181 208 A CA 1.214 53.237 52.037 -0.024 0.000 0.623 208 A CB -0.762 18.193 19.000 -0.074 0.000 0.818 208 A HN 0.207 nan 8.150 nan 0.000 0.443 209 F N 1.006 120.985 119.950 0.048 0.000 2.102 209 F HA -0.102 4.426 4.527 0.001 0.000 0.298 209 F C 1.705 177.518 175.800 0.021 0.000 1.105 209 F CA 0.837 58.856 58.000 0.031 0.000 1.239 209 F CB -0.237 38.807 39.000 0.073 0.000 0.991 209 F HN 0.041 nan 8.300 nan 0.000 0.474 210 S N -0.129 115.698 115.700 0.212 0.000 2.596 210 S HA 0.039 4.510 4.470 0.001 0.000 0.260 210 S C 0.740 175.384 174.600 0.073 0.000 1.336 210 S CA 0.013 58.275 58.200 0.104 0.000 0.993 210 S CB 1.212 64.449 63.200 0.061 0.000 0.923 210 S HN 0.399 nan 8.310 nan 0.000 0.567 211 E N -0.262 119.964 120.200 0.044 0.000 4.182 211 E HA -0.297 4.053 4.350 0.001 0.000 0.183 211 E C 1.165 177.781 176.600 0.026 0.000 1.205 211 E CA 1.448 57.866 56.400 0.029 0.000 2.410 211 E CB -1.307 28.408 29.700 0.025 0.000 1.780 211 E HN 0.581 nan 8.360 nan 0.000 0.434 212 N N 0.558 119.273 118.700 0.025 0.000 2.166 212 N HA -0.015 4.726 4.740 0.001 0.000 0.186 212 N C 1.833 177.366 175.510 0.038 0.000 1.019 212 N CA 1.552 54.611 53.050 0.015 0.000 0.856 212 N CB -0.051 38.428 38.487 -0.013 0.000 0.993 212 N HN 0.325 nan 8.380 nan 0.000 0.426 213 I N -0.392 120.212 120.570 0.057 0.000 2.333 213 I HA -0.168 4.003 4.170 0.001 0.000 0.246 213 I C 1.761 177.899 176.117 0.035 0.000 1.106 213 I CA 0.929 62.250 61.300 0.035 0.000 1.411 213 I CB -0.399 37.611 38.000 0.018 0.000 1.082 213 I HN 0.081 nan 8.210 nan 0.000 0.420 214 T N 0.662 115.236 114.554 0.032 0.000 2.746 214 T HA -0.224 4.126 4.350 0.001 0.000 0.267 214 T C 1.920 176.644 174.700 0.041 0.000 1.039 214 T CA 1.430 63.549 62.100 0.032 0.000 1.142 214 T CB -0.174 68.708 68.868 0.023 0.000 0.866 214 T HN 0.259 nan 8.240 nan 0.000 0.444 215 K N 0.914 121.334 120.400 0.033 0.000 2.009 215 K HA -0.176 4.145 4.320 0.001 0.000 0.210 215 K C 2.332 178.954 176.600 0.036 0.000 1.049 215 K CA 1.520 57.824 56.287 0.028 0.000 0.929 215 K CB -0.083 32.426 32.500 0.016 0.000 0.714 215 K HN -0.014 nan 8.250 nan 0.000 0.440 216 K N 1.019 121.445 120.400 0.043 0.000 2.211 216 K HA -0.029 4.291 4.320 0.001 0.000 0.203 216 K C 1.863 178.544 176.600 0.135 0.000 1.050 216 K CA 1.026 57.346 56.287 0.054 0.000 0.945 216 K CB -0.169 32.365 32.500 0.058 0.000 0.732 216 K HN 0.217 nan 8.250 nan 0.000 0.451 217 L N 0.039 121.362 121.223 0.167 0.000 2.093 217 L HA -0.144 4.196 4.340 0.001 0.000 0.208 217 L C 2.385 179.407 176.870 0.252 0.000 1.085 217 L CA 1.236 56.239 54.840 0.272 0.000 0.755 217 L CB -0.228 41.902 42.059 0.118 0.000 0.904 217 L HN 0.323 nan 8.230 nan 0.000 0.435 218 Q N 0.048 119.924 119.800 0.128 0.000 2.291 218 Q HA -0.217 4.123 4.340 0.001 0.000 0.206 218 Q C 1.199 177.243 176.000 0.072 0.000 0.976 218 Q CA 1.267 57.125 55.803 0.091 0.000 0.875 218 Q CB 0.120 28.888 28.738 0.051 0.000 0.927 218 Q HN 0.539 nan 8.270 nan 0.000 0.450 219 E N -0.780 119.436 120.200 0.027 0.000 2.296 219 E HA 0.026 4.376 4.350 0.001 0.000 0.196 219 E C -0.759 175.739 176.600 -0.169 0.000 1.143 219 E CA -0.212 56.147 56.400 -0.069 0.000 1.145 219 E CB -0.026 29.605 29.700 -0.115 0.000 1.215 219 E HN 0.112 nan 8.360 nan 0.000 0.447 220 F N 0.220 120.178 119.950 0.012 0.000 2.520 220 F HA 0.298 4.825 4.527 0.001 0.000 0.322 220 F C -1.487 174.320 175.800 0.012 0.000 1.103 220 F CA -2.664 55.345 58.000 0.015 0.000 0.926 220 F CB 1.973 40.980 39.000 0.011 0.000 1.154 220 F HN -0.111 nan 8.300 nan 0.000 0.453 221 P HA -0.367 nan 4.420 nan 0.000 0.224 221 P C 0.639 177.996 177.300 0.096 0.000 1.031 221 P CA 3.526 66.706 63.100 0.133 0.000 1.031 221 P CB 0.138 31.919 31.700 0.134 0.000 0.742 222 Q N -6.187 113.670 119.800 0.094 0.000 7.943 222 Q HA -0.090 4.250 4.340 0.001 0.000 0.369 222 Q C -1.813 174.210 176.000 0.038 0.000 0.951 222 Q CA 1.191 57.029 55.803 0.060 0.000 0.540 222 Q CB -2.212 26.555 28.738 0.048 0.000 0.157 222 Q HN 0.201 nan 8.270 nan 0.000 0.898 223 P HA 0.109 nan 4.420 nan 0.000 0.229 223 P C 0.769 178.077 177.300 0.013 0.000 1.160 223 P CA 1.478 64.591 63.100 0.022 0.000 0.777 223 P CB 0.457 32.172 31.700 0.023 0.000 0.814 224 V N -1.083 118.841 119.914 0.016 0.000 3.166 224 V HA 0.238 4.358 4.120 0.001 0.000 0.332 224 V C 1.863 177.923 176.094 -0.056 0.000 1.434 224 V CA -0.143 62.148 62.300 -0.013 0.000 1.121 224 V CB -0.431 31.390 31.823 -0.003 0.000 1.062 224 V HN -0.127 nan 8.190 nan 0.000 0.489 225 R N 0.047 120.532 120.500 -0.025 0.000 2.092 225 R HA -0.104 4.236 4.340 0.001 0.000 0.231 225 R C 1.488 177.735 176.300 -0.088 0.000 1.119 225 R CA 2.015 58.084 56.100 -0.051 0.000 0.970 225 R CB 0.106 30.422 30.300 0.027 0.000 0.864 225 R HN 0.483 nan 8.270 nan 0.000 0.440 226 D N 0.139 120.508 120.400 -0.051 0.000 2.348 226 D HA -0.075 4.566 4.640 0.001 0.000 0.216 226 D C 0.883 177.147 176.300 -0.060 0.000 0.970 226 D CA 1.009 54.984 54.000 -0.042 0.000 0.889 226 D CB 0.213 41.004 40.800 -0.015 0.000 0.912 226 D HN 0.281 nan 8.370 nan 0.000 0.524 227 K N 0.086 120.434 120.400 -0.087 0.000 2.404 227 K HA 0.128 4.449 4.320 0.001 0.000 0.194 227 K C 0.307 176.817 176.600 -0.149 0.000 1.023 227 K CA -0.109 56.123 56.287 -0.092 0.000 1.094 227 K CB 1.188 33.644 32.500 -0.072 0.000 0.841 227 K HN -0.100 nan 8.250 nan 0.000 0.523 228 V N 2.247 122.018 119.914 -0.237 0.000 2.585 228 V HA -0.034 4.087 4.120 0.001 0.000 0.296 228 V C 0.110 176.065 176.094 -0.232 0.000 1.035 228 V CA -0.218 61.868 62.300 -0.357 0.000 1.084 228 V CB 1.286 32.737 31.823 -0.620 0.000 0.953 228 V HN -0.023 nan 8.190 nan 0.000 0.483 229 V N 7.878 127.658 119.914 -0.224 0.000 2.406 229 V HA 0.381 4.502 4.120 0.001 0.000 0.272 229 V C 0.019 175.978 176.094 -0.224 0.000 1.043 229 V CA -0.407 61.791 62.300 -0.169 0.000 0.915 229 V CB 1.024 32.756 31.823 -0.153 0.000 0.988 229 V HN 0.697 nan 8.190 nan 0.000 0.466 230 L N 7.898 129.040 121.223 -0.135 0.000 2.325 230 L HA 0.392 4.732 4.340 0.001 0.000 0.284 230 L C -0.244 176.499 176.870 -0.212 0.000 1.089 230 L CA -0.091 54.612 54.840 -0.229 0.000 0.836 230 L CB 0.634 42.609 42.059 -0.140 0.000 1.184 230 L HN 0.473 nan 8.230 nan 0.000 0.444 231 L N 4.775 125.762 121.223 -0.393 0.000 2.297 231 L HA 0.360 4.701 4.340 0.001 0.000 0.277 231 L C -0.473 176.228 176.870 -0.281 0.000 1.040 231 L CA -0.452 54.226 54.840 -0.269 0.000 0.867 231 L CB 0.340 42.185 42.059 -0.356 0.000 1.244 231 L HN 0.399 nan 8.230 nan 0.000 0.433 232 F N 1.499 121.353 119.950 -0.161 0.000 2.502 232 F HA 0.096 4.624 4.527 0.002 0.000 0.371 232 F C 1.034 176.690 175.800 -0.239 0.000 1.083 232 F CA 0.344 58.223 58.000 -0.202 0.000 1.174 232 F CB 0.933 39.782 39.000 -0.251 0.000 1.096 232 F HN 0.306 nan 8.300 nan 0.000 0.545 233 S N 3.353 119.021 115.700 -0.053 0.000 2.566 233 S HA 0.825 5.295 4.470 0.001 0.000 0.324 233 S C -0.443 174.151 174.600 -0.009 0.000 1.081 233 S CA -0.502 57.663 58.200 -0.058 0.000 1.105 233 S CB 0.269 63.503 63.200 0.058 0.000 0.981 233 S HN 0.759 nan 8.310 nan 0.000 0.464 234 A N 3.883 126.654 122.820 -0.082 0.000 2.337 234 A HA 0.582 4.903 4.320 0.001 0.000 0.331 234 A C -0.276 177.583 177.584 0.458 0.000 1.137 234 A CA -0.679 51.466 52.037 0.180 0.000 0.807 234 A CB 0.522 19.562 19.000 0.066 0.000 1.250 234 A HN 0.937 nan 8.150 nan 0.000 0.468 235 H N 1.374 120.721 119.070 0.462 0.000 3.070 235 H HA 0.110 4.666 4.556 0.001 0.000 0.313 235 H C 0.745 176.458 175.328 0.642 0.000 0.997 235 H CA 1.390 57.697 56.048 0.432 0.000 1.438 235 H CB 0.761 30.716 29.762 0.323 0.000 1.455 235 H HN 0.680 nan 8.280 nan 0.000 0.575 236 S N 3.643 119.680 115.700 0.561 0.000 2.634 236 S HA 0.438 4.908 4.470 0.001 0.000 0.261 236 S C -0.090 174.894 174.600 0.640 0.000 1.271 236 S CA -0.719 57.848 58.200 0.612 0.000 0.985 236 S CB 0.464 63.965 63.200 0.502 0.000 0.968 236 S HN 0.593 nan 8.310 nan 0.000 0.568 237 L N 1.934 123.344 121.223 0.311 0.000 2.388 237 L HA 0.495 4.835 4.340 0.001 0.000 0.264 237 L C -2.480 174.156 176.870 -0.390 0.000 0.998 237 L CA -2.491 52.343 54.840 -0.010 0.000 0.817 237 L CB 2.421 44.453 42.059 -0.044 0.000 1.338 237 L HN 0.493 nan 8.230 nan 0.000 0.414 238 P HA 0.107 nan 4.420 nan 0.000 0.269 238 P C 0.499 177.502 177.300 -0.496 0.000 1.209 238 P CA -0.363 62.092 63.100 -1.075 0.000 0.776 238 P CB 0.509 31.648 31.700 -0.935 0.000 0.876 239 M N 2.045 121.422 119.600 -0.371 0.000 2.279 239 M HA -0.136 4.345 4.480 0.001 0.000 0.264 239 M C 0.968 177.160 176.300 -0.180 0.000 1.062 239 M CA 1.753 56.926 55.300 -0.212 0.000 1.099 239 M CB -1.474 31.044 32.600 -0.136 0.000 1.394 239 M HN 0.412 nan 8.290 nan 0.000 0.426 240 D N -0.927 119.356 120.400 -0.196 0.000 2.363 240 D HA -0.036 4.604 4.640 0.001 0.000 0.220 240 D C 1.688 177.901 176.300 -0.145 0.000 0.994 240 D CA 0.409 54.321 54.000 -0.147 0.000 0.890 240 D CB -0.524 40.200 40.800 -0.127 0.000 0.906 240 D HN 0.204 nan 8.370 nan 0.000 0.530 241 V N -0.083 119.725 119.914 -0.177 0.000 2.795 241 V HA -0.054 4.066 4.120 0.001 0.000 0.243 241 V C 2.474 178.501 176.094 -0.111 0.000 1.069 241 V CA 0.413 62.626 62.300 -0.145 0.000 1.089 241 V CB 0.301 32.025 31.823 -0.166 0.000 0.756 241 V HN 0.114 nan 8.190 nan 0.000 0.471 242 V N 0.917 120.756 119.914 -0.126 0.000 2.358 242 V HA -0.175 3.946 4.120 0.001 0.000 0.246 242 V C 1.981 178.030 176.094 -0.075 0.000 1.047 242 V CA 1.814 64.057 62.300 -0.095 0.000 1.035 242 V CB -0.689 31.056 31.823 -0.130 0.000 0.658 242 V HN 0.576 nan 8.190 nan 0.000 0.452 243 N N -0.405 118.244 118.700 -0.086 0.000 2.575 243 N HA -0.074 4.667 4.740 0.001 0.000 0.192 243 N C 1.534 177.006 175.510 -0.064 0.000 1.200 243 N CA 0.786 53.795 53.050 -0.068 0.000 0.897 243 N CB 0.057 38.502 38.487 -0.070 0.000 0.990 243 N HN 0.370 nan 8.380 nan 0.000 0.449 244 T N -0.929 113.583 114.554 -0.070 0.000 3.067 244 T HA 0.161 4.511 4.350 0.001 0.000 0.257 244 T C 1.146 175.812 174.700 -0.056 0.000 1.105 244 T CA 0.882 62.936 62.100 -0.076 0.000 1.104 244 T CB 0.006 68.813 68.868 -0.101 0.000 0.925 244 T HN 0.453 nan 8.240 nan 0.000 0.498 245 G N 1.900 110.679 108.800 -0.034 0.000 2.134 245 G HA2 -0.183 3.778 3.960 0.001 0.000 0.209 245 G HA3 -0.183 3.778 3.960 0.001 0.000 0.209 245 G C -0.180 174.736 174.900 0.026 0.000 0.993 245 G CA 0.015 45.110 45.100 -0.008 0.000 0.669 245 G HN 0.551 nan 8.290 nan 0.000 0.519 246 D N -0.243 120.176 120.400 0.031 0.000 2.449 246 D HA 0.525 5.166 4.640 0.001 0.000 0.236 246 D C 1.650 178.043 176.300 0.155 0.000 1.149 246 D CA 1.082 55.142 54.000 0.101 0.000 0.878 246 D CB 0.652 41.498 40.800 0.078 0.000 1.198 246 D HN 0.481 nan 8.370 nan 0.000 0.446 247 A N 3.337 126.311 122.820 0.257 0.000 2.016 247 A HA -0.128 4.192 4.320 0.001 0.000 0.217 247 A C 1.790 179.552 177.584 0.298 0.000 1.162 247 A CA 0.747 52.947 52.037 0.271 0.000 0.662 247 A CB -0.825 18.381 19.000 0.344 0.000 0.812 247 A HN 0.790 nan 8.150 nan 0.000 0.450 248 Y N 1.601 122.007 120.300 0.177 0.000 1.977 248 Y HA -0.250 4.300 4.550 0.001 0.000 0.264 248 Y C -0.578 175.419 175.900 0.162 0.000 1.167 248 Y CA 2.873 61.072 58.100 0.165 0.000 1.102 248 Y CB -1.672 36.844 38.460 0.093 0.000 0.948 248 Y HN 0.253 nan 8.280 nan 0.000 0.489 249 P HA -0.299 nan 4.420 nan 0.000 0.217 249 P C 1.488 178.811 177.300 0.039 0.000 1.162 249 P CA 3.021 66.091 63.100 -0.051 0.000 0.901 249 P CB -0.431 31.212 31.700 -0.096 0.000 0.793 250 A N -0.544 122.305 122.820 0.049 0.000 1.930 250 A HA -0.215 4.106 4.320 0.001 0.000 0.217 250 A C 2.154 179.766 177.584 0.048 0.000 1.175 250 A CA 1.568 53.635 52.037 0.051 0.000 0.627 250 A CB -1.119 17.914 19.000 0.055 0.000 0.815 250 A HN 0.186 nan 8.150 nan 0.000 0.443 251 E N -0.295 119.956 120.200 0.086 0.000 2.110 251 E HA -0.116 4.235 4.350 0.001 0.000 0.193 251 E C 1.964 178.605 176.600 0.068 0.000 0.988 251 E CA 1.230 57.722 56.400 0.152 0.000 0.804 251 E CB -0.223 29.654 29.700 0.296 0.000 0.745 251 E HN 0.417 nan 8.360 nan 0.000 0.458 252 V N 1.379 121.146 119.914 -0.245 0.000 2.343 252 V HA -0.263 3.858 4.120 0.001 0.000 0.247 252 V C 2.347 178.259 176.094 -0.302 0.000 1.051 252 V CA 1.802 63.709 62.300 -0.655 0.000 1.036 252 V CB -0.684 30.733 31.823 -0.676 0.000 0.654 252 V HN 0.302 nan 8.190 nan 0.000 0.451 253 A N -0.023 122.714 122.820 -0.138 0.000 1.972 253 A HA -0.091 4.229 4.320 0.001 0.000 0.219 253 A C 2.409 179.963 177.584 -0.049 0.000 1.169 253 A CA 1.948 53.938 52.037 -0.079 0.000 0.635 253 A CB -0.646 18.359 19.000 0.008 0.000 0.810 253 A HN 0.568 nan 8.150 nan 0.000 0.446 254 A N -0.984 121.829 122.820 -0.011 0.000 1.902 254 A HA -0.072 4.248 4.320 0.001 0.000 0.217 254 A C 2.293 179.900 177.584 0.038 0.000 1.181 254 A CA 2.220 54.279 52.037 0.036 0.000 0.623 254 A CB -1.160 17.882 19.000 0.070 0.000 0.818 254 A HN 0.416 nan 8.150 nan 0.000 0.443 255 T N -0.395 114.171 114.554 0.020 0.000 2.821 255 T HA -0.087 4.264 4.350 0.001 0.000 0.267 255 T C 1.873 176.462 174.700 -0.185 0.000 1.046 255 T CA 1.480 63.585 62.100 0.008 0.000 1.139 255 T CB -0.337 68.614 68.868 0.138 0.000 0.871 255 T HN 0.155 nan 8.240 nan 0.000 0.454 256 V N 0.297 119.999 119.914 -0.354 0.000 2.358 256 V HA -0.156 3.965 4.120 0.001 0.000 0.246 256 V C 2.008 177.741 176.094 -0.601 0.000 1.047 256 V CA 1.504 63.345 62.300 -0.764 0.000 1.035 256 V CB -0.684 30.624 31.823 -0.859 0.000 0.658 256 V HN 0.471 nan 8.190 nan 0.000 0.452 257 Y N 1.103 121.178 120.300 -0.374 0.000 2.181 257 Y HA -0.204 4.347 4.550 0.003 0.000 0.288 257 Y C 2.630 178.392 175.900 -0.230 0.000 1.146 257 Y CA 1.955 59.914 58.100 -0.235 0.000 1.164 257 Y CB -0.256 38.178 38.460 -0.043 0.000 0.982 257 Y HN 0.222 nan 8.280 nan 0.000 0.515 258 N N 0.411 119.090 118.700 -0.034 0.000 2.223 258 N HA -0.170 4.570 4.740 0.001 0.000 0.185 258 N C 1.812 177.214 175.510 -0.179 0.000 1.016 258 N CA 1.552 54.569 53.050 -0.056 0.000 0.863 258 N CB -0.175 38.334 38.487 0.036 0.000 0.983 258 N HN 0.449 nan 8.380 nan 0.000 0.429 259 I N 0.563 120.989 120.570 -0.241 0.000 2.286 259 I HA -0.206 3.964 4.170 0.001 0.000 0.245 259 I C 2.079 177.979 176.117 -0.362 0.000 1.104 259 I CA 0.661 61.839 61.300 -0.204 0.000 1.397 259 I CB -0.071 37.857 38.000 -0.121 0.000 1.072 259 I HN 0.065 nan 8.210 nan 0.000 0.417 260 M N -0.087 119.127 119.600 -0.644 0.000 2.213 260 M HA -0.210 4.270 4.480 0.001 0.000 0.263 260 M C 2.198 177.728 176.300 -1.284 0.000 1.062 260 M CA 1.641 56.352 55.300 -0.983 0.000 1.105 260 M CB -1.209 30.558 32.600 -1.389 0.000 1.385 260 M HN 0.315 nan 8.290 nan 0.000 0.417 261 Q N -0.188 118.996 119.800 -1.027 0.000 2.050 261 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 261 Q C 2.235 178.007 176.000 -0.381 0.000 0.980 261 Q CA 1.110 56.502 55.803 -0.685 0.000 0.840 261 Q CB -0.069 28.489 28.738 -0.300 0.000 0.898 261 Q HN 0.355 nan 8.270 nan 0.000 0.424 262 K N 0.664 120.899 120.400 -0.274 0.000 2.063 262 K HA -0.126 4.194 4.320 0.001 0.000 0.208 262 K C 1.745 178.251 176.600 -0.156 0.000 1.048 262 K CA 1.021 57.219 56.287 -0.148 0.000 0.928 262 K CB -0.133 32.314 32.500 -0.089 0.000 0.713 262 K HN 0.263 nan 8.250 nan 0.000 0.442 263 L N 0.695 121.777 121.223 -0.235 0.000 2.627 263 L HA 0.037 4.378 4.340 0.001 0.000 0.232 263 L C 0.087 176.841 176.870 -0.194 0.000 1.150 263 L CA 0.029 54.759 54.840 -0.184 0.000 0.917 263 L CB -0.238 41.717 42.059 -0.173 0.000 1.104 263 L HN 0.075 nan 8.230 nan 0.000 0.445 264 K N -0.509 119.753 120.400 -0.231 0.000 3.012 264 K HA -0.248 4.073 4.320 0.001 0.000 0.259 264 K C 0.069 176.687 176.600 0.031 0.000 0.989 264 K CA 0.422 56.659 56.287 -0.083 0.000 0.728 264 K CB -2.093 30.410 32.500 0.005 0.000 1.260 264 K HN 0.225 nan 8.250 nan 0.000 0.480 265 F N -1.917 117.990 119.950 -0.073 0.000 3.056 265 F HA -0.374 4.154 4.527 0.001 0.000 0.266 265 F C 1.667 177.473 175.800 0.010 0.000 0.957 265 F CA 1.525 59.509 58.000 -0.027 0.000 0.894 265 F CB -1.254 37.741 39.000 -0.010 0.000 0.832 265 F HN 0.297 nan 8.300 nan 0.000 0.745 266 K N -0.242 120.205 120.400 0.079 0.000 2.148 266 K HA -0.100 4.220 4.320 0.001 0.000 0.204 266 K C 0.386 177.025 176.600 0.064 0.000 1.050 266 K CA 1.439 57.763 56.287 0.062 0.000 0.942 266 K CB 0.075 32.586 32.500 0.019 0.000 0.724 266 K HN 0.397 nan 8.250 nan 0.000 0.446 267 N N 0.236 118.980 118.700 0.074 0.000 2.384 267 N HA 0.294 5.035 4.740 0.001 0.000 0.301 267 N C -2.792 172.815 175.510 0.161 0.000 1.133 267 N CA -1.820 51.272 53.050 0.069 0.000 0.853 267 N CB 1.625 40.122 38.487 0.016 0.000 1.241 267 N HN -0.173 nan 8.380 nan 0.000 0.502 268 P HA 0.184 nan 4.420 nan 0.000 0.275 268 P C -1.344 176.046 177.300 0.149 0.000 1.227 268 P CA 0.083 63.230 63.100 0.079 0.000 0.781 268 P CB 0.291 31.984 31.700 -0.011 0.000 0.906 269 Y N -0.024 120.308 120.300 0.052 0.000 2.689 269 Y HA 0.904 5.454 4.550 0.000 0.000 0.333 269 Y C -0.893 175.050 175.900 0.072 0.000 1.190 269 Y CA -1.472 56.684 58.100 0.094 0.000 1.063 269 Y CB 1.528 40.124 38.460 0.227 0.000 1.294 269 Y HN 0.188 nan 8.280 nan 0.000 0.466 270 R N 1.241 121.859 120.500 0.197 0.000 2.725 270 R HA 0.477 4.818 4.340 0.001 0.000 0.254 270 R C -2.641 173.745 176.300 0.143 0.000 1.076 270 R CA -0.673 55.449 56.100 0.037 0.000 0.940 270 R CB 1.538 31.799 30.300 -0.064 0.000 1.260 270 R HN 0.974 nan 8.270 nan 0.000 0.466 271 L N 5.223 126.463 121.223 0.028 0.000 2.260 271 L HA 0.726 5.067 4.340 0.001 0.000 0.289 271 L C -0.742 175.917 176.870 -0.352 0.000 1.057 271 L CA -0.325 54.418 54.840 -0.161 0.000 0.811 271 L CB 1.092 43.010 42.059 -0.235 0.000 1.184 271 L HN 0.500 nan 8.230 nan 0.000 0.429 272 V N 1.814 121.448 119.914 -0.466 0.000 3.158 272 V HA 0.782 4.903 4.120 0.001 0.000 0.315 272 V C -1.220 174.434 176.094 -0.733 0.000 1.148 272 V CA -0.866 61.166 62.300 -0.446 0.000 1.042 272 V CB 1.604 33.365 31.823 -0.102 0.000 1.101 272 V HN 0.802 nan 8.190 nan 0.000 0.448 273 W N 0.401 121.743 121.300 0.070 0.000 2.844 273 W HA 0.822 5.482 4.660 0.000 0.000 0.340 273 W C -0.187 176.352 176.519 0.033 0.000 1.093 273 W CA -0.391 57.002 57.345 0.081 0.000 1.212 273 W CB 1.526 31.055 29.460 0.115 0.000 1.422 273 W HN 0.943 nan 8.180 nan 0.000 0.515 274 Q N -0.635 119.286 119.800 0.202 0.000 2.873 274 Q HA 0.721 5.062 4.340 0.001 0.000 0.297 274 Q C 0.219 176.120 176.000 -0.164 0.000 1.064 274 Q CA -0.642 55.169 55.803 0.013 0.000 0.816 274 Q CB 1.627 30.354 28.738 -0.017 0.000 1.481 274 Q HN 0.458 nan 8.270 nan 0.000 0.488 275 S N -0.825 114.716 115.700 -0.266 0.000 3.127 275 S HA -0.194 4.276 4.470 0.001 0.000 0.281 275 S C 0.036 174.260 174.600 -0.628 0.000 1.293 275 S CA 1.415 59.358 58.200 -0.429 0.000 1.156 275 S CB -1.652 61.164 63.200 -0.641 0.000 1.389 275 S HN 0.752 nan 8.310 nan 0.000 0.672 276 Q N 1.262 120.632 119.800 -0.717 0.000 2.300 276 Q HA 0.448 4.789 4.340 0.001 0.000 0.280 276 Q C 0.136 175.471 176.000 -1.108 0.000 1.033 276 Q CA 0.115 55.028 55.803 -1.484 0.000 0.903 276 Q CB 0.606 28.646 28.738 -1.162 0.000 1.195 276 Q HN 0.882 nan 8.270 nan 0.000 0.386 277 V N -2.116 117.073 119.914 -1.207 0.000 2.808 277 V HA 0.927 5.047 4.120 0.001 0.000 0.308 277 V C -0.083 175.969 176.094 -0.071 0.000 1.099 277 V CA 0.230 62.277 62.300 -0.422 0.000 0.920 277 V CB 1.314 33.023 31.823 -0.191 0.000 1.014 277 V HN 1.302 nan 8.190 nan 0.000 0.425 278 G N 4.468 113.276 108.800 0.015 0.000 2.408 278 G HA2 0.179 4.140 3.960 0.001 0.000 0.682 278 G HA3 0.179 4.140 3.960 0.001 0.000 0.682 278 G C -2.273 172.717 174.900 0.151 0.000 1.303 278 G CA 0.017 45.210 45.100 0.154 0.000 0.966 278 G HN 0.824 nan 8.290 nan 0.000 0.560 279 P HA 0.195 nan 4.420 nan 0.000 0.226 279 P C 0.760 178.148 177.300 0.146 0.000 1.161 279 P CA 0.508 63.676 63.100 0.114 0.000 0.804 279 P CB 0.174 31.921 31.700 0.077 0.000 0.829 280 K N 0.836 121.353 120.400 0.194 0.000 2.380 280 K HA 0.176 4.496 4.320 0.001 0.000 0.267 280 K C -2.281 174.466 176.600 0.245 0.000 0.990 280 K CA -1.337 55.040 56.287 0.149 0.000 0.946 280 K CB -0.564 31.970 32.500 0.057 0.000 0.937 280 K HN 0.005 nan 8.250 nan 0.000 0.491 281 P HA 0.108 nan 4.420 nan 0.000 0.281 281 P C -1.291 176.059 177.300 0.083 0.000 1.252 281 P CA -0.207 62.972 63.100 0.132 0.000 0.778 281 P CB 0.432 32.151 31.700 0.033 0.000 0.895 282 W N 2.336 123.618 121.300 -0.030 0.000 2.736 282 W HA 0.449 5.110 4.660 0.001 0.000 0.355 282 W C -0.354 176.111 176.519 -0.089 0.000 1.102 282 W CA -0.832 56.485 57.345 -0.047 0.000 1.164 282 W CB 0.532 29.978 29.460 -0.024 0.000 1.422 282 W HN 0.167 nan 8.180 nan 0.000 0.572 283 L N 2.829 124.081 121.223 0.049 0.000 2.615 283 L HA 0.397 4.738 4.340 0.001 0.000 0.271 283 L C 0.413 177.214 176.870 -0.114 0.000 1.183 283 L CA 0.554 55.280 54.840 -0.190 0.000 0.933 283 L CB -0.731 40.991 42.059 -0.562 0.000 1.199 283 L HN 0.440 nan 8.230 nan 0.000 0.487 284 G N 3.854 112.632 108.800 -0.036 0.000 2.477 284 G HA2 0.642 4.603 3.960 0.001 0.000 0.304 284 G HA3 0.642 4.603 3.960 0.001 0.000 0.304 284 G C -0.456 174.592 174.900 0.246 0.000 1.175 284 G CA -0.174 44.986 45.100 0.100 0.000 0.907 284 G HN 1.810 nan 8.290 nan 0.000 0.509 285 A N 0.134 123.100 122.820 0.244 0.000 4.323 285 A HA -0.043 4.278 4.320 0.001 0.000 0.208 285 A C -0.062 177.675 177.584 0.254 0.000 1.094 285 A CA -0.437 51.737 52.037 0.229 0.000 1.279 285 A CB -1.698 17.495 19.000 0.320 0.000 0.875 285 A HN 0.627 nan 8.150 nan 0.000 0.594 286 Q N 1.097 120.991 119.800 0.156 0.000 2.281 286 Q HA 0.227 4.568 4.340 0.001 0.000 0.267 286 Q C 1.618 177.675 176.000 0.095 0.000 1.053 286 Q CA 0.803 56.681 55.803 0.125 0.000 0.905 286 Q CB 0.678 29.458 28.738 0.070 0.000 1.195 286 Q HN 0.778 nan 8.270 nan 0.000 0.398 287 T N 2.377 116.986 114.554 0.092 0.000 2.570 287 T HA -0.301 4.049 4.350 0.001 0.000 0.266 287 T C 1.647 176.403 174.700 0.094 0.000 1.071 287 T CA 1.826 63.979 62.100 0.090 0.000 1.172 287 T CB -0.227 68.684 68.868 0.073 0.000 0.864 287 T HN 0.767 nan 8.240 nan 0.000 0.421 288 A N 1.200 124.048 122.820 0.047 0.000 1.873 288 A HA -0.232 4.089 4.320 0.001 0.000 0.218 288 A C 2.262 179.904 177.584 0.097 0.000 1.193 288 A CA 2.306 54.373 52.037 0.050 0.000 0.629 288 A CB -0.949 18.057 19.000 0.010 0.000 0.826 288 A HN 0.655 nan 8.150 nan 0.000 0.447 289 E N -0.763 119.485 120.200 0.080 0.000 2.070 289 E HA -0.207 4.143 4.350 0.001 0.000 0.197 289 E C 1.892 178.572 176.600 0.134 0.000 1.004 289 E CA 1.426 57.883 56.400 0.095 0.000 0.805 289 E CB -0.202 29.535 29.700 0.063 0.000 0.744 289 E HN 0.666 nan 8.360 nan 0.000 0.451 290 I N -0.120 120.516 120.570 0.110 0.000 2.439 290 I HA -0.166 4.004 4.170 0.001 0.000 0.251 290 I C 2.147 178.370 176.117 0.177 0.000 1.139 290 I CA 0.875 62.247 61.300 0.120 0.000 1.438 290 I CB -0.043 37.986 38.000 0.048 0.000 1.085 290 I HN 0.152 nan 8.210 nan 0.000 0.427 291 A N 0.325 123.244 122.820 0.165 0.000 1.902 291 A HA -0.195 4.126 4.320 0.001 0.000 0.217 291 A C 2.160 179.926 177.584 0.303 0.000 1.181 291 A CA 1.481 53.621 52.037 0.171 0.000 0.623 291 A CB -0.466 18.664 19.000 0.217 0.000 0.818 291 A HN 0.397 nan 8.150 nan 0.000 0.443 292 E N -1.002 119.376 120.200 0.296 0.000 2.106 292 E HA -0.133 4.217 4.350 0.001 0.000 0.192 292 E C 1.714 178.429 176.600 0.191 0.000 0.984 292 E CA 0.868 57.441 56.400 0.289 0.000 0.806 292 E CB -0.470 29.378 29.700 0.246 0.000 0.750 292 E HN 0.687 nan 8.360 nan 0.000 0.458 293 F N 1.333 121.326 119.950 0.071 0.000 2.069 293 F HA -0.178 4.350 4.527 0.001 0.000 0.298 293 F C 2.144 177.935 175.800 -0.014 0.000 1.113 293 F CA 1.367 59.384 58.000 0.029 0.000 1.214 293 F CB -0.212 38.802 39.000 0.023 0.000 0.978 293 F HN -0.076 nan 8.300 nan 0.000 0.474 294 L N -0.259 121.045 121.223 0.135 0.000 2.217 294 L HA -0.015 4.325 4.340 0.001 0.000 0.211 294 L C 2.793 179.570 176.870 -0.155 0.000 1.107 294 L CA 0.789 55.627 54.840 -0.004 0.000 0.783 294 L CB -1.576 40.533 42.059 0.084 0.000 0.919 294 L HN 0.359 nan 8.230 nan 0.000 0.442 295 G N 1.603 110.297 108.800 -0.178 0.000 2.732 295 G HA2 -0.295 3.665 3.960 0.001 0.000 0.222 295 G HA3 -0.295 3.665 3.960 0.001 0.000 0.222 295 G C -0.693 173.665 174.900 -0.904 0.000 1.203 295 G CA 1.331 46.030 45.100 -0.667 0.000 0.780 295 G HN 0.319 nan 8.290 nan 0.000 0.621 296 P HA -0.012 nan 4.420 nan 0.000 0.218 296 P C 1.574 178.757 177.300 -0.195 0.000 1.149 296 P CA 1.860 64.769 63.100 -0.317 0.000 0.817 296 P CB -0.020 31.571 31.700 -0.181 0.000 0.785 297 K N -1.113 119.160 120.400 -0.212 0.000 2.358 297 K HA 0.201 4.522 4.320 0.001 0.000 0.197 297 K C 0.458 177.003 176.600 -0.092 0.000 1.025 297 K CA 0.148 56.353 56.287 -0.136 0.000 1.104 297 K CB 0.018 32.428 32.500 -0.151 0.000 0.855 297 K HN 0.081 nan 8.250 nan 0.000 0.531 298 V N -0.311 119.548 119.914 -0.092 0.000 2.919 298 V HA 0.365 4.485 4.120 0.001 0.000 0.316 298 V C -0.930 175.147 176.094 -0.028 0.000 1.077 298 V CA -0.870 61.397 62.300 -0.054 0.000 0.977 298 V CB 1.831 33.627 31.823 -0.045 0.000 1.039 298 V HN 0.172 nan 8.190 nan 0.000 0.441 299 D N 0.547 120.932 120.400 -0.024 0.000 2.424 299 D HA 0.551 5.192 4.640 0.001 0.000 0.220 299 D C 0.456 176.767 176.300 0.018 0.000 1.150 299 D CA 0.513 54.519 54.000 0.010 0.000 0.831 299 D CB 0.583 41.385 40.800 0.004 0.000 0.981 299 D HN 1.274 nan 8.370 nan 0.000 0.500 300 G N -0.403 108.385 108.800 -0.020 0.000 2.658 300 G HA2 0.482 4.442 3.960 0.001 0.000 0.301 300 G HA3 0.482 4.442 3.960 0.001 0.000 0.301 300 G C -2.249 172.568 174.900 -0.138 0.000 1.481 300 G CA -0.847 44.184 45.100 -0.115 0.000 0.931 300 G HN 0.073 nan 8.290 nan 0.000 0.573 301 L N 1.726 122.926 121.223 -0.039 0.000 2.505 301 L HA 0.787 5.128 4.340 0.001 0.000 0.266 301 L C -0.362 176.298 176.870 -0.350 0.000 0.954 301 L CA -0.525 54.124 54.840 -0.317 0.000 0.852 301 L CB 2.273 43.971 42.059 -0.601 0.000 1.282 301 L HN 0.738 nan 8.230 nan 0.000 0.403 302 M N 3.424 122.721 119.600 -0.505 0.000 2.393 302 M HA 0.595 5.075 4.480 0.001 0.000 0.316 302 M C -1.703 174.185 176.300 -0.687 0.000 1.087 302 M CA -0.412 54.669 55.300 -0.365 0.000 0.937 302 M CB 1.548 34.063 32.600 -0.142 0.000 1.668 302 M HN 0.429 nan 8.290 nan 0.000 0.438 303 F N 4.930 124.799 119.950 -0.136 0.000 2.436 303 F HA 0.574 5.101 4.527 0.001 0.000 0.340 303 F C -0.421 175.281 175.800 -0.164 0.000 1.113 303 F CA -0.534 57.366 58.000 -0.167 0.000 1.022 303 F CB 1.175 40.105 39.000 -0.118 0.000 1.128 303 F HN 0.362 nan 8.300 nan 0.000 0.466 304 I N 4.431 124.931 120.570 -0.118 0.000 2.436 304 I HA 0.330 4.500 4.170 0.001 0.000 0.289 304 I C -2.373 173.736 176.117 -0.015 0.000 1.010 304 I CA -2.146 59.068 61.300 -0.144 0.000 1.098 304 I CB 2.102 39.788 38.000 -0.523 0.000 1.266 304 I HN 0.321 nan 8.210 nan 0.000 0.434 305 P HA 0.125 nan 4.420 nan 0.000 0.230 305 P C 0.887 178.331 177.300 0.239 0.000 1.791 305 P CA -0.042 63.192 63.100 0.223 0.000 1.020 305 P CB 0.020 31.883 31.700 0.272 0.000 1.977 306 I N 1.319 121.915 120.570 0.044 0.000 2.423 306 I HA -0.202 3.968 4.170 0.001 0.000 0.254 306 I C 1.598 177.802 176.117 0.145 0.000 1.151 306 I CA 1.459 62.683 61.300 -0.127 0.000 1.421 306 I CB -0.188 37.759 38.000 -0.088 0.000 1.079 306 I HN 0.142 nan 8.210 nan 0.000 0.431 307 A N -1.603 121.398 122.820 0.303 0.000 2.390 307 A HA 0.300 4.620 4.320 0.001 0.000 0.232 307 A C 0.389 178.333 177.584 0.601 0.000 1.233 307 A CA -0.242 52.106 52.037 0.517 0.000 0.907 307 A CB -0.244 19.087 19.000 0.553 0.000 0.967 307 A HN 0.279 nan 8.150 nan 0.000 0.512 308 F N -0.516 119.599 119.950 0.274 0.000 2.611 308 F HA 0.478 5.006 4.527 0.001 0.000 0.324 308 F C 1.021 176.816 175.800 -0.009 0.000 1.061 308 F CA -0.097 57.964 58.000 0.102 0.000 0.954 308 F CB 2.001 40.981 39.000 -0.032 0.000 1.301 308 F HN -0.069 nan 8.300 nan 0.000 0.482 309 T N -1.073 112.903 114.554 -0.963 0.000 3.174 309 T HA 0.470 4.820 4.350 0.001 0.000 0.269 309 T C -0.282 174.005 174.700 -0.689 0.000 1.017 309 T CA 0.407 62.080 62.100 -0.711 0.000 0.899 309 T CB -0.712 67.857 68.868 -0.498 0.000 1.077 309 T HN 0.766 nan 8.240 nan 0.000 0.552 310 S N -0.593 114.788 115.700 -0.532 0.000 2.643 310 S HA 0.380 4.850 4.470 0.001 0.000 0.266 310 S C -2.145 172.417 174.600 -0.063 0.000 1.130 310 S CA -1.040 56.906 58.200 -0.422 0.000 0.817 310 S CB 0.817 63.789 63.200 -0.380 0.000 1.107 310 S HN 0.072 nan 8.310 nan 0.000 0.471 311 D N 1.403 121.773 120.400 -0.050 0.000 2.362 311 D HA 0.555 5.196 4.640 0.001 0.000 0.242 311 D C 0.258 176.815 176.300 0.428 0.000 1.132 311 D CA 0.713 54.854 54.000 0.234 0.000 0.907 311 D CB 0.537 41.450 40.800 0.189 0.000 1.195 311 D HN 0.803 nan 8.370 nan 0.000 0.429 312 H N -2.201 116.974 119.070 0.175 0.000 2.888 312 H HA 0.138 4.694 4.556 0.001 0.000 0.267 312 H C 0.721 176.097 175.328 0.080 0.000 1.482 312 H CA -0.869 55.256 56.048 0.128 0.000 1.165 312 H CB 0.219 29.991 29.762 0.016 0.000 1.866 312 H HN 0.196 nan 8.280 nan 0.000 0.599 313 I N 1.085 121.620 120.570 -0.059 0.000 2.236 313 I HA -0.259 3.911 4.170 0.001 0.000 0.249 313 I C 1.949 177.888 176.117 -0.297 0.000 1.102 313 I CA 1.842 63.015 61.300 -0.213 0.000 1.365 313 I CB -0.626 37.202 38.000 -0.287 0.000 1.051 313 I HN 0.700 nan 8.210 nan 0.000 0.420 314 E N -0.694 119.132 120.200 -0.625 0.000 2.051 314 E HA -0.231 4.119 4.350 0.001 0.000 0.192 314 E C 2.102 178.592 176.600 -0.183 0.000 0.991 314 E CA 2.139 58.282 56.400 -0.428 0.000 0.799 314 E CB -0.241 29.140 29.700 -0.532 0.000 0.748 314 E HN 0.729 nan 8.360 nan 0.000 0.449 315 T N -0.937 113.561 114.554 -0.092 0.000 2.901 315 T HA 0.045 4.395 4.350 0.001 0.000 0.252 315 T C 2.066 176.776 174.700 0.015 0.000 1.035 315 T CA 0.175 62.296 62.100 0.035 0.000 1.142 315 T CB -0.372 68.590 68.868 0.158 0.000 0.869 315 T HN 0.004 nan 8.240 nan 0.000 0.442 316 L N -0.131 121.117 121.223 0.043 0.000 2.093 316 L HA -0.006 4.335 4.340 0.001 0.000 0.208 316 L C 3.050 179.921 176.870 0.002 0.000 1.085 316 L CA 1.517 56.381 54.840 0.040 0.000 0.755 316 L CB -0.528 41.584 42.059 0.087 0.000 0.904 316 L HN 0.426 nan 8.230 nan 0.000 0.435 317 H N -0.396 118.612 119.070 -0.103 0.000 2.348 317 H HA -0.032 4.525 4.556 0.001 0.000 0.313 317 H C 1.984 177.229 175.328 -0.138 0.000 1.051 317 H CA 1.114 57.085 56.048 -0.129 0.000 1.420 317 H CB 0.438 30.089 29.762 -0.186 0.000 1.484 317 H HN 0.206 nan 8.280 nan 0.000 0.609 318 E N 0.275 120.527 120.200 0.087 0.000 2.058 318 E HA -0.140 4.211 4.350 0.001 0.000 0.194 318 E C 2.057 178.591 176.600 -0.109 0.000 0.997 318 E CA 1.541 57.942 56.400 0.001 0.000 0.801 318 E CB 0.183 29.841 29.700 -0.070 0.000 0.746 318 E HN 0.318 nan 8.360 nan 0.000 0.450 319 I N 1.205 121.691 120.570 -0.141 0.000 2.368 319 I HA -0.154 4.016 4.170 0.001 0.000 0.238 319 I C 1.957 177.946 176.117 -0.214 0.000 1.076 319 I CA 0.929 62.086 61.300 -0.239 0.000 1.397 319 I CB -1.287 36.576 38.000 -0.229 0.000 1.141 319 I HN 0.116 nan 8.210 nan 0.000 0.430 320 D N 1.188 121.504 120.400 -0.140 0.000 2.104 320 D HA -0.152 4.489 4.640 0.001 0.000 0.194 320 D C 2.385 178.605 176.300 -0.134 0.000 0.994 320 D CA 1.369 55.305 54.000 -0.107 0.000 0.830 320 D CB -0.147 40.613 40.800 -0.066 0.000 0.959 320 D HN 0.279 nan 8.370 nan 0.000 0.452 321 L N -0.104 120.993 121.223 -0.209 0.000 2.202 321 L HA 0.143 4.483 4.340 0.001 0.000 0.205 321 L C 2.323 179.068 176.870 -0.209 0.000 1.083 321 L CA 0.801 55.486 54.840 -0.259 0.000 0.790 321 L CB -0.485 41.280 42.059 -0.491 0.000 0.942 321 L HN 0.031 nan 8.230 nan 0.000 0.452 322 G N 0.023 108.706 108.800 -0.195 0.000 2.629 322 G HA2 -0.074 3.886 3.960 0.001 0.000 0.213 322 G HA3 -0.074 3.886 3.960 0.001 0.000 0.213 322 G C 1.464 176.308 174.900 -0.093 0.000 1.425 322 G CA 0.607 45.634 45.100 -0.121 0.000 0.929 322 G HN 0.000 nan 8.290 nan 0.000 0.527 323 V N 1.309 121.143 119.914 -0.134 0.000 2.236 323 V HA -0.290 3.830 4.120 0.001 0.000 0.255 323 V C 2.759 178.852 176.094 -0.002 0.000 1.068 323 V CA 2.225 64.442 62.300 -0.139 0.000 1.044 323 V CB -0.642 30.910 31.823 -0.452 0.000 0.653 323 V HN 0.417 nan 8.190 nan 0.000 0.448 324 I N -0.006 120.528 120.570 -0.061 0.000 2.260 324 I HA -0.004 4.166 4.170 0.001 0.000 0.237 324 I C 2.762 178.909 176.117 0.050 0.000 1.075 324 I CA 1.403 62.771 61.300 0.114 0.000 1.376 324 I CB -1.270 36.771 38.000 0.069 0.000 1.107 324 I HN 0.399 nan 8.210 nan 0.000 0.420 325 G N 0.780 109.565 108.800 -0.025 0.000 2.547 325 G HA2 -0.265 3.696 3.960 0.001 0.000 0.221 325 G HA3 -0.265 3.696 3.960 0.001 0.000 0.221 325 G C 1.389 176.260 174.900 -0.049 0.000 1.140 325 G CA 1.040 46.111 45.100 -0.049 0.000 0.760 325 G HN 0.496 nan 8.290 nan 0.000 0.583 326 E N -0.255 119.920 120.200 -0.042 0.000 2.474 326 E HA 0.179 4.530 4.350 0.001 0.000 0.195 326 E C 0.720 177.300 176.600 -0.034 0.000 1.039 326 E CA -0.288 56.087 56.400 -0.041 0.000 0.881 326 E CB 0.517 30.194 29.700 -0.039 0.000 0.970 326 E HN 0.281 nan 8.360 nan 0.000 0.486 327 S N 1.634 117.327 115.700 -0.012 0.000 2.601 327 S HA 0.003 4.473 4.470 0.001 0.000 0.271 327 S C 1.095 175.580 174.600 -0.192 0.000 1.305 327 S CA -0.554 57.628 58.200 -0.030 0.000 1.022 327 S CB 0.896 64.159 63.200 0.104 0.000 0.940 327 S HN 0.238 nan 8.310 nan 0.000 0.525 328 E N 2.723 122.696 120.200 -0.379 0.000 2.502 328 E HA -0.068 4.283 4.350 0.001 0.000 0.194 328 E C -0.199 175.957 176.600 -0.740 0.000 1.062 328 E CA 0.612 56.686 56.400 -0.542 0.000 0.867 328 E CB -0.248 29.074 29.700 -0.630 0.000 0.888 328 E HN 0.870 nan 8.360 nan 0.000 0.510 329 Y N 0.717 120.797 120.300 -0.367 0.000 2.584 329 Y HA 0.330 4.880 4.550 0.001 0.000 0.254 329 Y C 1.867 177.363 175.900 -0.674 0.000 1.177 329 Y CA -0.614 57.133 58.100 -0.589 0.000 1.216 329 Y CB 0.538 38.441 38.460 -0.930 0.000 1.172 329 Y HN -0.128 nan 8.280 nan 0.000 0.529 330 K N 1.141 121.360 120.400 -0.302 0.000 2.127 330 K HA -0.309 4.011 4.320 0.001 0.000 0.212 330 K C 0.946 177.532 176.600 -0.024 0.000 1.050 330 K CA 2.596 58.819 56.287 -0.107 0.000 0.929 330 K CB -0.144 32.314 32.500 -0.071 0.000 0.715 330 K HN 0.561 nan 8.250 nan 0.000 0.457 331 D N 0.231 120.601 120.400 -0.050 0.000 2.116 331 D HA -0.216 4.424 4.640 0.001 0.000 0.193 331 D C 1.257 177.613 176.300 0.093 0.000 0.998 331 D CA 1.722 55.727 54.000 0.008 0.000 0.836 331 D CB -0.172 40.625 40.800 -0.004 0.000 0.951 331 D HN 0.419 nan 8.370 nan 0.000 0.449 332 K N -0.071 120.417 120.400 0.147 0.000 2.417 332 K HA 0.119 4.440 4.320 0.001 0.000 0.196 332 K C -0.264 176.744 176.600 0.679 0.000 1.023 332 K CA -0.116 56.399 56.287 0.379 0.000 1.122 332 K CB 0.021 32.703 32.500 0.304 0.000 0.850 332 K HN 0.200 nan 8.250 nan 0.000 0.521 333 F N 2.285 122.398 119.950 0.271 0.000 2.411 333 F HA 0.384 4.911 4.527 0.001 0.000 0.352 333 F C 0.155 176.122 175.800 0.279 0.000 1.123 333 F CA -1.205 56.997 58.000 0.337 0.000 1.044 333 F CB 1.375 40.613 39.000 0.398 0.000 1.135 333 F HN -0.168 nan 8.300 nan 0.000 0.461 334 K N 2.765 123.447 120.400 0.470 0.000 2.477 334 K HA 0.498 4.818 4.320 0.001 0.000 0.255 334 K C -1.075 175.716 176.600 0.319 0.000 0.952 334 K CA -1.131 55.320 56.287 0.273 0.000 0.826 334 K CB 3.409 35.954 32.500 0.075 0.000 1.331 334 K HN 0.553 nan 8.250 nan 0.000 0.437 335 R N 1.164 121.794 120.500 0.217 0.000 2.514 335 R HA 0.321 4.662 4.340 0.001 0.000 0.301 335 R C -0.551 175.813 176.300 0.107 0.000 0.962 335 R CA -0.567 55.654 56.100 0.202 0.000 0.882 335 R CB 1.279 31.666 30.300 0.144 0.000 1.143 335 R HN 0.787 nan 8.270 nan 0.000 0.452 336 C N 3.087 122.436 119.300 0.083 0.000 2.689 336 C HA 0.097 4.557 4.460 0.001 0.000 0.409 336 C C 0.602 175.620 174.990 0.047 0.000 1.293 336 C CA -0.086 58.963 59.018 0.052 0.000 2.136 336 C CB 0.019 27.785 27.740 0.042 0.000 2.719 336 C HN 0.930 nan 8.230 nan 0.000 0.644 337 E N 3.135 123.343 120.200 0.014 0.000 2.360 337 E HA 0.194 4.545 4.350 0.001 0.000 0.269 337 E C -0.000 176.558 176.600 -0.070 0.000 1.022 337 E CA -0.107 56.276 56.400 -0.029 0.000 0.887 337 E CB 0.740 30.407 29.700 -0.054 0.000 0.990 337 E HN 0.822 nan 8.360 nan 0.000 0.426 338 S N 3.517 119.153 115.700 -0.105 0.000 2.579 338 S HA 0.028 4.499 4.470 0.001 0.000 0.275 338 S C 1.483 175.854 174.600 -0.382 0.000 1.345 338 S CA -0.466 57.621 58.200 -0.188 0.000 1.031 338 S CB 0.591 63.678 63.200 -0.188 0.000 0.892 338 S HN 0.529 nan 8.310 nan 0.000 0.529 339 L N 2.279 123.166 121.223 -0.560 0.000 2.012 339 L HA -0.230 4.110 4.340 0.001 0.000 0.210 339 L C 1.667 178.121 176.870 -0.694 0.000 1.073 339 L CA 0.963 55.343 54.840 -0.767 0.000 0.748 339 L CB -0.727 40.523 42.059 -1.348 0.000 0.891 339 L HN 0.658 nan 8.230 nan 0.000 0.431 340 N N -0.495 117.705 118.700 -0.834 0.000 1.691 340 N HA -0.284 4.456 4.740 0.001 0.000 0.146 340 N C 1.121 176.238 175.510 -0.656 0.000 0.436 340 N CA 2.272 54.586 53.050 -1.226 0.000 1.237 340 N CB -1.550 35.797 38.487 -1.901 0.000 1.356 340 N HN 0.428 nan 8.380 nan 0.000 0.422 341 G N 1.140 109.622 108.800 -0.530 0.000 3.233 341 G HA2 0.010 3.971 3.960 0.001 0.000 0.234 341 G HA3 0.010 3.971 3.960 0.001 0.000 0.234 341 G C 0.339 175.338 174.900 0.166 0.000 1.137 341 G CA 0.060 45.227 45.100 0.112 0.000 0.763 341 G HN 0.599 nan 8.290 nan 0.000 0.549 342 N N 1.017 119.736 118.700 0.031 0.000 2.236 342 N HA -0.098 4.642 4.740 0.001 0.000 0.274 342 N C 1.434 177.053 175.510 0.183 0.000 1.339 342 N CA 0.165 53.258 53.050 0.073 0.000 0.845 342 N CB 0.858 39.335 38.487 -0.017 0.000 1.091 342 N HN 0.133 nan 8.380 nan 0.000 0.489 343 Q N 3.224 123.101 119.800 0.129 0.000 2.050 343 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 343 Q C 1.426 177.473 176.000 0.078 0.000 0.980 343 Q CA 2.151 58.019 55.803 0.108 0.000 0.840 343 Q CB -0.526 28.259 28.738 0.078 0.000 0.898 343 Q HN 0.741 nan 8.270 nan 0.000 0.424 344 T N 0.387 114.987 114.554 0.077 0.000 2.720 344 T HA -0.164 4.187 4.350 0.001 0.000 0.268 344 T C 1.406 176.152 174.700 0.076 0.000 1.037 344 T CA 1.383 63.520 62.100 0.062 0.000 1.144 344 T CB -0.560 68.346 68.868 0.063 0.000 0.864 344 T HN 0.443 nan 8.240 nan 0.000 0.444 345 F N 1.637 121.577 119.950 -0.016 0.000 2.186 345 F HA -0.059 4.468 4.527 0.000 0.000 0.299 345 F C 1.873 177.684 175.800 0.018 0.000 1.090 345 F CA 0.930 58.924 58.000 -0.009 0.000 1.307 345 F CB -0.225 38.732 39.000 -0.072 0.000 1.019 345 F HN -0.001 nan 8.300 nan 0.000 0.489 346 I N 0.992 121.452 120.570 -0.183 0.000 2.179 346 I HA -0.240 3.930 4.170 0.001 0.000 0.242 346 I C 2.244 178.224 176.117 -0.230 0.000 1.088 346 I CA 1.488 62.641 61.300 -0.245 0.000 1.357 346 I CB -1.506 36.480 38.000 -0.023 0.000 1.051 346 I HN 0.299 nan 8.210 nan 0.000 0.409 347 E N 0.718 120.839 120.200 -0.131 0.000 2.153 347 E HA -0.163 4.187 4.350 0.001 0.000 0.194 347 E C 2.297 178.811 176.600 -0.143 0.000 0.988 347 E CA 1.146 57.479 56.400 -0.112 0.000 0.811 347 E CB -0.335 29.330 29.700 -0.058 0.000 0.746 347 E HN 0.584 nan 8.360 nan 0.000 0.466 348 G N 1.084 109.787 108.800 -0.162 0.000 2.421 348 G HA2 -0.263 3.697 3.960 0.001 0.000 0.216 348 G HA3 -0.263 3.697 3.960 0.001 0.000 0.216 348 G C 1.550 176.304 174.900 -0.243 0.000 1.171 348 G CA 0.658 45.671 45.100 -0.145 0.000 0.775 348 G HN 0.101 nan 8.290 nan 0.000 0.543 349 M N 0.778 120.151 119.600 -0.379 0.000 2.213 349 M HA -0.003 4.478 4.480 0.001 0.000 0.263 349 M C 3.003 179.129 176.300 -0.289 0.000 1.062 349 M CA 1.214 56.286 55.300 -0.381 0.000 1.105 349 M CB -0.209 32.186 32.600 -0.341 0.000 1.385 349 M HN 0.341 nan 8.290 nan 0.000 0.417 350 A N 0.612 123.293 122.820 -0.232 0.000 1.873 350 A HA -0.172 4.148 4.320 0.001 0.000 0.215 350 A C 1.713 179.174 177.584 -0.205 0.000 1.186 350 A CA 1.873 53.788 52.037 -0.204 0.000 0.616 350 A CB -0.664 18.236 19.000 -0.168 0.000 0.823 350 A HN 0.364 nan 8.150 nan 0.000 0.442 351 D N 0.010 120.304 120.400 -0.176 0.000 2.123 351 D HA -0.157 4.483 4.640 0.001 0.000 0.196 351 D C 1.931 178.125 176.300 -0.177 0.000 0.992 351 D CA 0.967 54.880 54.000 -0.144 0.000 0.833 351 D CB -0.488 40.251 40.800 -0.101 0.000 0.954 351 D HN 0.380 nan 8.370 nan 0.000 0.455 352 L N 0.750 121.825 121.223 -0.247 0.000 2.012 352 L HA -0.191 4.150 4.340 0.001 0.000 0.210 352 L C 2.294 178.951 176.870 -0.356 0.000 1.073 352 L CA 1.221 55.867 54.840 -0.324 0.000 0.748 352 L CB -0.171 41.565 42.059 -0.539 0.000 0.891 352 L HN -0.048 nan 8.230 nan 0.000 0.431 353 V N 0.003 119.662 119.914 -0.425 0.000 2.358 353 V HA -0.304 3.816 4.120 0.001 0.000 0.246 353 V C 2.525 178.516 176.094 -0.173 0.000 1.047 353 V CA 2.064 64.156 62.300 -0.348 0.000 1.035 353 V CB -0.631 30.987 31.823 -0.341 0.000 0.658 353 V HN 0.480 nan 8.190 nan 0.000 0.452 354 K N 0.232 120.530 120.400 -0.171 0.000 2.009 354 K HA -0.196 4.124 4.320 0.001 0.000 0.210 354 K C 2.405 178.946 176.600 -0.098 0.000 1.049 354 K CA 1.982 58.195 56.287 -0.124 0.000 0.929 354 K CB -0.290 32.137 32.500 -0.121 0.000 0.714 354 K HN 0.403 nan 8.250 nan 0.000 0.440 355 S N 0.036 115.678 115.700 -0.096 0.000 2.359 355 S HA -0.210 4.261 4.470 0.001 0.000 0.224 355 S C 1.804 176.366 174.600 -0.063 0.000 1.035 355 S CA 1.334 59.491 58.200 -0.073 0.000 1.018 355 S CB -0.571 62.592 63.200 -0.062 0.000 0.876 355 S HN 0.482 nan 8.310 nan 0.000 0.448 356 H N 1.069 120.047 119.070 -0.154 0.000 2.321 356 H HA -0.013 4.543 4.556 0.000 0.000 0.300 356 H C 2.065 177.326 175.328 -0.113 0.000 1.087 356 H CA 1.475 57.437 56.048 -0.144 0.000 1.319 356 H CB -0.302 29.341 29.762 -0.198 0.000 1.379 356 H HN 0.307 nan 8.280 nan 0.000 0.501 357 L N 0.495 121.583 121.223 -0.224 0.000 2.083 357 L HA -0.183 4.158 4.340 0.001 0.000 0.209 357 L C 2.435 179.188 176.870 -0.196 0.000 1.083 357 L CA 1.318 56.020 54.840 -0.229 0.000 0.752 357 L CB -0.252 41.756 42.059 -0.085 0.000 0.899 357 L HN 0.344 nan 8.230 nan 0.000 0.433 358 Q N -0.970 118.743 119.800 -0.144 0.000 2.403 358 Q HA -0.025 4.316 4.340 0.001 0.000 0.203 358 Q C 1.995 177.924 176.000 -0.118 0.000 0.932 358 Q CA 0.755 56.489 55.803 -0.114 0.000 0.945 358 Q CB 0.274 28.963 28.738 -0.081 0.000 1.045 358 Q HN 0.536 nan 8.270 nan 0.000 0.511 359 S N -0.613 114.995 115.700 -0.153 0.000 2.486 359 S HA 0.011 4.482 4.470 0.001 0.000 0.220 359 S C 0.664 175.175 174.600 -0.149 0.000 1.011 359 S CA 0.373 58.494 58.200 -0.131 0.000 0.921 359 S CB -0.002 63.129 63.200 -0.116 0.000 0.785 359 S HN 0.517 nan 8.310 nan 0.000 0.517 360 N N 0.455 119.037 118.700 -0.196 0.000 2.900 360 N HA -0.171 4.570 4.740 0.001 0.000 0.240 360 N C -0.735 174.658 175.510 -0.194 0.000 0.953 360 N CA 0.810 53.752 53.050 -0.180 0.000 0.950 360 N CB -1.072 37.339 38.487 -0.127 0.000 1.102 360 N HN 0.623 nan 8.380 nan 0.000 0.593 361 Q N 0.249 119.920 119.800 -0.216 0.000 2.293 361 Q HA 0.246 4.587 4.340 0.001 0.000 0.251 361 Q C 0.637 176.492 176.000 -0.240 0.000 0.930 361 Q CA -0.312 55.357 55.803 -0.223 0.000 0.893 361 Q CB 0.968 29.610 28.738 -0.160 0.000 1.215 361 Q HN 0.152 nan 8.270 nan 0.000 0.425 362 L N 2.232 123.244 121.223 -0.350 0.000 2.529 362 L HA 0.077 4.418 4.340 0.001 0.000 0.223 362 L C -0.365 176.387 176.870 -0.198 0.000 1.113 362 L CA 0.625 55.319 54.840 -0.242 0.000 0.861 362 L CB -0.451 41.472 42.059 -0.227 0.000 1.012 362 L HN 0.565 nan 8.230 nan 0.000 0.461 363 Y N -5.102 115.137 120.300 -0.101 0.000 2.717 363 Y HA 0.437 4.987 4.550 -0.000 0.000 0.345 363 Y C -0.012 175.836 175.900 -0.087 0.000 1.187 363 Y CA -1.895 56.112 58.100 -0.156 0.000 1.128 363 Y CB -0.235 38.015 38.460 -0.349 0.000 1.360 363 Y HN -0.123 nan 8.280 nan 0.000 0.467 364 S N 0.892 116.678 115.700 0.142 0.000 2.572 364 S HA 0.067 4.537 4.470 0.001 0.000 0.267 364 S C 0.398 175.074 174.600 0.125 0.000 1.361 364 S CA 0.207 58.461 58.200 0.090 0.000 1.009 364 S CB 0.485 63.722 63.200 0.061 0.000 0.888 364 S HN 0.745 nan 8.310 nan 0.000 0.553 365 N N 1.124 119.866 118.700 0.069 0.000 2.453 365 N HA -0.061 4.679 4.740 0.001 0.000 0.183 365 N C 1.544 177.086 175.510 0.053 0.000 1.041 365 N CA 0.652 53.742 53.050 0.067 0.000 0.900 365 N CB -0.291 38.218 38.487 0.036 0.000 0.961 365 N HN 0.581 nan 8.380 nan 0.000 0.443 366 Q N 0.373 120.188 119.800 0.026 0.000 2.187 366 Q HA 0.045 4.386 4.340 0.001 0.000 0.199 366 Q C 2.054 178.016 176.000 -0.063 0.000 0.957 366 Q CA 0.187 55.981 55.803 -0.015 0.000 0.857 366 Q CB -0.424 28.293 28.738 -0.035 0.000 0.929 366 Q HN 0.252 nan 8.270 nan 0.000 0.453 367 L N 1.406 122.568 121.223 -0.103 0.000 2.043 367 L HA -0.155 4.186 4.340 0.001 0.000 0.212 367 L C -0.920 175.894 176.870 -0.093 0.000 1.075 367 L CA 2.019 56.747 54.840 -0.187 0.000 0.752 367 L CB -1.372 40.481 42.059 -0.342 0.000 0.891 367 L HN 0.124 nan 8.230 nan 0.000 0.432 368 P HA -0.139 nan 4.420 nan 0.000 0.226 368 P C 2.022 179.356 177.300 0.058 0.000 1.153 368 P CA 1.018 64.099 63.100 -0.031 0.000 0.777 368 P CB 0.056 31.756 31.700 0.000 0.000 0.794 369 L N -0.462 120.789 121.223 0.047 0.000 2.127 369 L HA -0.077 4.263 4.340 0.001 0.000 0.203 369 L C 1.489 178.406 176.870 0.077 0.000 1.080 369 L CA 1.648 56.518 54.840 0.051 0.000 0.768 369 L CB -0.540 41.538 42.059 0.031 0.000 0.924 369 L HN -0.053 nan 8.230 nan 0.000 0.444 370 D N 0.132 120.592 120.400 0.100 0.000 2.123 370 D HA -0.241 4.400 4.640 0.001 0.000 0.196 370 D C 1.973 178.374 176.300 0.169 0.000 0.992 370 D CA 1.542 55.642 54.000 0.167 0.000 0.833 370 D CB -0.265 40.618 40.800 0.138 0.000 0.954 370 D HN 0.286 nan 8.370 nan 0.000 0.455 371 F N 1.068 121.069 119.950 0.084 0.000 2.407 371 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 371 F C 2.389 178.177 175.800 -0.020 0.000 1.097 371 F CA 0.341 58.402 58.000 0.102 0.000 1.422 371 F CB -0.334 38.732 39.000 0.109 0.000 1.067 371 F HN -0.091 nan 8.300 nan 0.000 0.539 372 A N -1.224 121.661 122.820 0.109 0.000 2.123 372 A HA 0.090 4.410 4.320 0.001 0.000 0.214 372 A C 1.774 179.328 177.584 -0.051 0.000 1.152 372 A CA 0.906 52.962 52.037 0.031 0.000 0.728 372 A CB -0.332 18.690 19.000 0.036 0.000 0.814 372 A HN 0.260 nan 8.150 nan 0.000 0.464 373 L N -1.238 119.925 121.223 -0.099 0.000 2.515 373 L HA 0.267 4.607 4.340 0.001 0.000 0.223 373 L C 1.548 178.229 176.870 -0.315 0.000 1.079 373 L CA 0.546 55.298 54.840 -0.147 0.000 0.857 373 L CB -0.509 41.502 42.059 -0.080 0.000 1.050 373 L HN 0.284 nan 8.230 nan 0.000 0.476 374 G N -0.263 108.166 108.800 -0.618 0.000 2.569 374 G HA2 0.306 4.266 3.960 0.001 0.000 0.249 374 G HA3 0.306 4.266 3.960 0.001 0.000 0.249 374 G C -0.415 173.998 174.900 -0.812 0.000 1.216 374 G CA -0.221 44.108 45.100 -1.285 0.000 0.845 374 G HN -0.037 nan 8.290 nan 0.000 0.568 375 K N 0.193 120.233 120.400 -0.600 0.000 2.425 375 K HA 0.606 4.926 4.320 0.001 0.000 0.259 375 K C -0.395 176.191 176.600 -0.024 0.000 0.978 375 K CA -0.346 55.809 56.287 -0.220 0.000 0.883 375 K CB 1.617 34.035 32.500 -0.137 0.000 1.110 375 K HN 0.521 nan 8.250 nan 0.000 0.436 376 S N 2.002 117.720 115.700 0.031 0.000 2.556 376 S HA 0.356 4.826 4.470 0.001 0.000 0.271 376 S C -0.188 174.455 174.600 0.070 0.000 1.135 376 S CA -0.773 57.492 58.200 0.108 0.000 0.858 376 S CB 0.935 64.266 63.200 0.217 0.000 1.114 376 S HN 0.663 nan 8.310 nan 0.000 0.468 377 N N 1.046 119.784 118.700 0.063 0.000 2.424 377 N HA 0.102 4.843 4.740 0.001 0.000 0.178 377 N C -0.776 174.771 175.510 0.061 0.000 1.060 377 N CA 0.340 53.420 53.050 0.050 0.000 0.901 377 N CB 0.247 38.757 38.487 0.038 0.000 0.979 377 N HN 0.551 nan 8.380 nan 0.000 0.451 378 D N 0.207 120.656 120.400 0.082 0.000 2.586 378 D HA 0.200 4.841 4.640 0.001 0.000 0.254 378 D C -2.786 173.605 176.300 0.151 0.000 1.248 378 D CA -1.817 52.240 54.000 0.094 0.000 0.843 378 D CB 0.898 41.734 40.800 0.060 0.000 1.332 378 D HN -0.039 nan 8.370 nan 0.000 0.523 379 P HA 0.379 nan 4.420 nan 0.000 0.286 379 P C -0.460 177.046 177.300 0.342 0.000 1.292 379 P CA -0.779 62.491 63.100 0.283 0.000 0.842 379 P CB 1.106 32.971 31.700 0.274 0.000 1.207 380 V N 2.212 122.373 119.914 0.411 0.000 2.555 380 V HA 0.072 4.193 4.120 0.001 0.000 0.286 380 V C 1.520 177.704 176.094 0.149 0.000 1.044 380 V CA 0.213 62.629 62.300 0.193 0.000 1.026 380 V CB 0.488 32.271 31.823 -0.066 0.000 0.981 380 V HN 0.527 nan 8.190 nan 0.000 0.480 381 K N 1.972 122.416 120.400 0.073 0.000 2.242 381 K HA 0.173 4.493 4.320 0.001 0.000 0.200 381 K C 0.207 176.793 176.600 -0.023 0.000 1.050 381 K CA 0.442 56.768 56.287 0.065 0.000 0.981 381 K CB 0.236 32.793 32.500 0.096 0.000 0.795 381 K HN 0.681 nan 8.250 nan 0.000 0.477 382 D N 0.195 120.515 120.400 -0.134 0.000 2.476 382 D HA 0.206 4.846 4.640 0.001 0.000 0.251 382 D C 0.757 176.884 176.300 -0.288 0.000 1.291 382 D CA -0.194 53.711 54.000 -0.157 0.000 0.939 382 D CB 1.044 41.787 40.800 -0.094 0.000 1.221 382 D HN -0.200 nan 8.370 nan 0.000 0.567 383 L N 2.019 123.077 121.223 -0.275 0.000 2.131 383 L HA -0.121 4.219 4.340 0.001 0.000 0.210 383 L C 2.245 179.143 176.870 0.045 0.000 1.092 383 L CA 1.301 55.961 54.840 -0.300 0.000 0.759 383 L CB -0.282 41.390 42.059 -0.646 0.000 0.903 383 L HN 0.405 nan 8.230 nan 0.000 0.435 384 S N -0.643 115.125 115.700 0.114 0.000 2.481 384 S HA -0.121 4.349 4.470 0.001 0.000 0.231 384 S C 1.804 176.508 174.600 0.174 0.000 0.996 384 S CA 0.536 58.880 58.200 0.240 0.000 0.942 384 S CB -0.259 63.050 63.200 0.182 0.000 0.768 384 S HN 0.457 nan 8.310 nan 0.000 0.520 385 L N 0.707 121.893 121.223 -0.061 0.000 2.416 385 L HA 0.187 4.527 4.340 0.001 0.000 0.216 385 L C 2.022 178.588 176.870 -0.507 0.000 1.098 385 L CA 0.409 55.088 54.840 -0.267 0.000 0.840 385 L CB 0.032 41.930 42.059 -0.269 0.000 0.981 385 L HN 0.224 nan 8.230 nan 0.000 0.462 386 V N -0.375 119.190 119.914 -0.583 0.000 2.346 386 V HA -0.099 4.021 4.120 0.001 0.000 0.244 386 V C 0.584 176.392 176.094 -0.476 0.000 1.037 386 V CA 1.039 62.826 62.300 -0.856 0.000 1.029 386 V CB -0.412 30.709 31.823 -1.171 0.000 0.663 386 V HN 0.081 nan 8.190 nan 0.000 0.454 387 F N -0.330 119.692 119.950 0.120 0.000 2.450 387 F HA 0.728 5.255 4.527 0.001 0.000 0.332 387 F C 0.717 176.705 175.800 0.314 0.000 1.093 387 F CA 0.064 58.237 58.000 0.287 0.000 1.003 387 F CB 1.270 40.456 39.000 0.309 0.000 1.151 387 F HN 0.249 nan 8.300 nan 0.000 0.474 388 G N 2.018 111.058 108.800 0.399 0.000 2.384 388 G HA2 -0.138 3.823 3.960 0.001 0.000 0.668 388 G HA3 -0.138 3.823 3.960 0.001 0.000 0.668 388 G C -1.657 173.189 174.900 -0.090 0.000 1.280 388 G CA -1.253 43.908 45.100 0.102 0.000 0.992 388 G HN 0.801 nan 8.290 nan 0.000 0.512 389 N N -0.060 118.479 118.700 -0.269 0.000 2.488 389 N HA 0.522 5.262 4.740 0.001 0.000 0.274 389 N C 0.041 175.230 175.510 -0.536 0.000 1.111 389 N CA -0.538 52.369 53.050 -0.238 0.000 0.974 389 N CB 0.286 38.691 38.487 -0.136 0.000 1.089 389 N HN 0.561 nan 8.380 nan 0.000 0.465 390 H N 2.162 121.278 119.070 0.077 0.000 2.904 390 H HA 0.119 4.675 4.556 0.000 0.000 0.242 390 H C -0.140 175.228 175.328 0.066 0.000 1.193 390 H CA -0.233 55.860 56.048 0.075 0.000 0.946 390 H CB 0.275 30.098 29.762 0.100 0.000 2.135 390 H HN 0.708 nan 8.280 nan 0.000 0.652 391 E N 0.000 120.255 120.200 0.092 0.000 2.725 391 E HA 0.000 4.351 4.350 0.001 0.000 0.291 391 E CA 0.000 56.441 56.400 0.068 0.000 0.976 391 E CB 0.000 29.721 29.700 0.036 0.000 0.812 391 E HN 0.000 nan 8.360 nan 0.000 0.440