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 1u75_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHISGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE AGYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.691 174.700 -0.015 0.000 1.109 1 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 1 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 2 T N 5.050 119.592 114.554 -0.019 0.000 0.542 2 T HA -0.102 4.248 4.350 0.001 0.000 0.774 2 T C -2.681 172.002 174.700 -0.029 0.000 0.992 2 T CA 0.841 62.925 62.100 -0.026 0.000 4.076 2 T CB -0.778 68.073 68.868 -0.029 0.000 2.303 2 T HN 0.737 nan 8.240 nan 0.000 0.398 3 P HA 0.522 nan 4.420 nan 0.000 0.192 3 P C -0.960 176.288 177.300 -0.086 0.000 1.882 3 P CA -0.521 62.546 63.100 -0.055 0.000 1.239 3 P CB -0.059 31.616 31.700 -0.043 0.000 1.681 4 L N 0.114 121.263 121.223 -0.123 0.000 2.309 4 L HA 0.831 5.171 4.340 0.001 0.000 0.282 4 L C -0.067 176.600 176.870 -0.338 0.000 1.036 4 L CA -1.230 53.474 54.840 -0.226 0.000 0.806 4 L CB 1.786 43.683 42.059 -0.271 0.000 1.220 4 L HN -0.005 nan 8.230 nan 0.000 0.429 5 V N 2.532 122.230 119.914 -0.361 0.000 2.555 5 V HA 0.520 4.640 4.120 0.001 0.000 0.302 5 V C -0.974 174.830 176.094 -0.483 0.000 1.038 5 V CA -0.171 61.922 62.300 -0.344 0.000 0.887 5 V CB 1.561 33.276 31.823 -0.180 0.000 0.991 5 V HN 0.813 nan 8.190 nan 0.000 0.434 6 H N 5.795 124.643 119.070 -0.370 0.000 2.792 6 H HA 0.412 4.968 4.556 0.001 0.000 0.298 6 H C -0.456 174.478 175.328 -0.656 0.000 1.042 6 H CA -0.249 55.338 56.048 -0.768 0.000 1.300 6 H CB 1.437 30.434 29.762 -1.273 0.000 1.431 6 H HN 0.690 nan 8.280 nan 0.000 0.496 7 V N 0.812 120.579 119.914 -0.243 0.000 2.498 7 V HA 0.605 4.726 4.120 0.001 0.000 0.279 7 V C 0.981 177.078 176.094 0.005 0.000 1.048 7 V CA -1.169 61.048 62.300 -0.138 0.000 0.967 7 V CB 0.857 32.649 31.823 -0.051 0.000 0.988 7 V HN 0.772 nan 8.190 nan 0.000 0.473 8 A N 3.737 126.482 122.820 -0.126 0.000 2.450 8 A HA 0.593 4.914 4.320 0.001 0.000 0.255 8 A C 0.484 178.105 177.584 0.062 0.000 1.096 8 A CA -0.016 52.005 52.037 -0.026 0.000 0.778 8 A CB 0.269 19.120 19.000 -0.248 0.000 1.031 8 A HN 0.938 nan 8.150 nan 0.000 0.494 9 S N 1.442 117.205 115.700 0.105 0.000 2.756 9 S HA 0.327 4.798 4.470 0.001 0.000 0.303 9 S C -0.398 174.283 174.600 0.135 0.000 1.135 9 S CA -0.437 57.828 58.200 0.109 0.000 1.066 9 S CB 1.283 64.547 63.200 0.107 0.000 1.008 9 S HN 1.050 nan 8.310 nan 0.000 0.482 10 V N 4.623 124.630 119.914 0.156 0.000 2.540 10 V HA 0.105 4.226 4.120 0.001 0.000 0.297 10 V C 0.049 176.285 176.094 0.236 0.000 1.024 10 V CA 0.174 62.612 62.300 0.231 0.000 1.105 10 V CB 0.238 32.207 31.823 0.243 0.000 0.938 10 V HN 0.865 nan 8.190 nan 0.000 0.482 11 E N 5.336 125.734 120.200 0.331 0.000 2.603 11 E HA 0.026 4.376 4.350 0.001 0.000 0.242 11 E C 0.193 176.900 176.600 0.178 0.000 1.083 11 E CA 0.186 56.765 56.400 0.298 0.000 0.950 11 E CB -0.044 29.950 29.700 0.491 0.000 0.952 11 E HN 0.573 nan 8.360 nan 0.000 0.498 12 K N 2.622 123.095 120.400 0.122 0.000 2.351 12 K HA -0.209 4.112 4.320 0.001 0.000 0.247 12 K C 1.104 177.700 176.600 -0.007 0.000 1.174 12 K CA 1.405 57.728 56.287 0.060 0.000 1.214 12 K CB -0.807 31.726 32.500 0.054 0.000 0.740 12 K HN 0.794 nan 8.250 nan 0.000 0.513 13 G N 2.429 111.230 108.800 0.001 0.000 2.184 13 G HA2 -0.348 3.612 3.960 0.001 0.000 0.264 13 G HA3 -0.348 3.612 3.960 0.001 0.000 0.264 13 G C -0.084 174.764 174.900 -0.088 0.000 0.975 13 G CA 0.433 45.510 45.100 -0.038 0.000 0.642 13 G HN 0.538 nan 8.290 nan 0.000 0.536 14 R N 0.671 121.117 120.500 -0.089 0.000 2.390 14 R HA 0.712 5.052 4.340 0.001 0.000 0.291 14 R C 0.740 177.078 176.300 0.064 0.000 1.070 14 R CA 0.593 56.590 56.100 -0.173 0.000 1.014 14 R CB 1.338 31.421 30.300 -0.361 0.000 1.007 14 R HN 0.234 nan 8.270 nan 0.000 0.466 15 S N 1.057 116.764 115.700 0.012 0.000 2.713 15 S HA 0.162 4.632 4.470 0.001 0.000 0.296 15 S C 0.544 175.238 174.600 0.155 0.000 1.114 15 S CA -0.582 57.695 58.200 0.129 0.000 0.997 15 S CB 0.183 63.419 63.200 0.059 0.000 1.249 15 S HN 0.652 nan 8.310 nan 0.000 0.534 16 Y N 1.223 121.467 120.300 -0.094 0.000 2.263 16 Y HA 0.052 4.602 4.550 0.001 0.000 0.292 16 Y C 1.895 177.719 175.900 -0.126 0.000 1.130 16 Y CA 2.252 60.108 58.100 -0.408 0.000 1.179 16 Y CB -0.482 37.755 38.460 -0.372 0.000 0.998 16 Y HN 0.709 nan 8.280 nan 0.000 0.532 17 E N 0.656 120.803 120.200 -0.089 0.000 2.160 17 E HA -0.201 4.149 4.350 0.001 0.000 0.195 17 E C 1.494 177.988 176.600 -0.177 0.000 0.991 17 E CA 1.927 58.248 56.400 -0.130 0.000 0.810 17 E CB -0.271 29.421 29.700 -0.014 0.000 0.742 17 E HN 0.660 nan 8.360 nan 0.000 0.466 18 D N -0.676 119.603 120.400 -0.202 0.000 2.123 18 D HA -0.088 4.552 4.640 0.001 0.000 0.200 18 D C 1.199 177.335 176.300 -0.275 0.000 0.976 18 D CA 0.723 54.552 54.000 -0.285 0.000 0.831 18 D CB -0.116 40.332 40.800 -0.587 0.000 0.974 18 D HN 0.108 nan 8.370 nan 0.000 0.469 19 F N 0.564 120.449 119.950 -0.108 0.000 2.365 19 F HA -0.042 4.486 4.527 0.001 0.000 0.300 19 F C 2.378 177.937 175.800 -0.402 0.000 1.090 19 F CA 0.632 58.572 58.000 -0.100 0.000 1.408 19 F CB -0.160 38.937 39.000 0.161 0.000 1.060 19 F HN -0.120 nan 8.300 nan 0.000 0.534 20 Q N 0.723 120.362 119.800 -0.269 0.000 2.172 20 Q HA -0.122 4.218 4.340 0.001 0.000 0.200 20 Q C 1.926 177.779 176.000 -0.246 0.000 0.964 20 Q CA 1.530 57.119 55.803 -0.358 0.000 0.855 20 Q CB -0.079 28.440 28.738 -0.366 0.000 0.918 20 Q HN 0.199 nan 8.270 nan 0.000 0.444 21 K N -0.912 119.363 120.400 -0.208 0.000 2.057 21 K HA -0.061 4.259 4.320 0.001 0.000 0.206 21 K C 1.875 178.290 176.600 -0.309 0.000 1.050 21 K CA 1.209 57.421 56.287 -0.125 0.000 0.935 21 K CB -0.395 32.124 32.500 0.031 0.000 0.715 21 K HN 0.182 nan 8.250 nan 0.000 0.439 22 V N 0.404 119.896 119.914 -0.704 0.000 2.759 22 V HA -0.205 3.916 4.120 0.001 0.000 0.256 22 V C 1.754 177.530 176.094 -0.530 0.000 1.080 22 V CA 1.376 63.061 62.300 -1.026 0.000 1.101 22 V CB -0.343 30.681 31.823 -1.332 0.000 0.698 22 V HN 0.404 nan 8.190 nan 0.000 0.477 23 Y N 1.515 121.449 120.300 -0.609 0.000 2.184 23 Y HA -0.159 4.391 4.550 0.001 0.000 0.290 23 Y C 2.273 177.978 175.900 -0.325 0.000 1.129 23 Y CA 2.344 60.098 58.100 -0.576 0.000 1.144 23 Y CB -0.402 37.527 38.460 -0.884 0.000 0.995 23 Y HN 0.382 nan 8.280 nan 0.000 0.513 24 N N 0.206 118.901 118.700 -0.009 0.000 2.149 24 N HA -0.209 4.531 4.740 0.001 0.000 0.188 24 N C 1.922 177.394 175.510 -0.063 0.000 1.019 24 N CA 0.823 53.880 53.050 0.012 0.000 0.857 24 N CB -0.289 38.230 38.487 0.054 0.000 0.997 24 N HN 0.488 nan 8.380 nan 0.000 0.426 25 A N 1.018 123.796 122.820 -0.070 0.000 1.969 25 A HA -0.058 4.262 4.320 0.001 0.000 0.218 25 A C 2.070 179.582 177.584 -0.119 0.000 1.169 25 A CA 0.925 52.945 52.037 -0.028 0.000 0.635 25 A CB -0.404 18.687 19.000 0.152 0.000 0.810 25 A HN 0.189 nan 8.150 nan 0.000 0.445 26 I N -0.634 119.827 120.570 -0.182 0.000 2.406 26 I HA -0.157 4.013 4.170 0.001 0.000 0.249 26 I C 2.889 178.960 176.117 -0.077 0.000 1.122 26 I CA 0.852 62.068 61.300 -0.140 0.000 1.431 26 I CB -0.229 37.657 38.000 -0.189 0.000 1.087 26 I HN 0.325 nan 8.210 nan 0.000 0.424 27 A N 0.927 123.622 122.820 -0.208 0.000 1.898 27 A HA -0.100 4.220 4.320 0.001 0.000 0.216 27 A C 2.247 179.815 177.584 -0.026 0.000 1.181 27 A CA 1.247 53.191 52.037 -0.155 0.000 0.620 27 A CB -0.773 18.083 19.000 -0.239 0.000 0.819 27 A HN 0.356 nan 8.150 nan 0.000 0.442 28 L N -0.880 120.327 121.223 -0.027 0.000 2.201 28 L HA -0.099 4.241 4.340 0.001 0.000 0.212 28 L C 2.516 179.392 176.870 0.010 0.000 1.105 28 L CA 1.473 56.314 54.840 0.001 0.000 0.775 28 L CB -0.218 41.837 42.059 -0.008 0.000 0.913 28 L HN 0.389 nan 8.230 nan 0.000 0.440 29 K N 0.265 120.659 120.400 -0.010 0.000 2.243 29 K HA -0.026 4.295 4.320 0.001 0.000 0.201 29 K C 2.043 178.788 176.600 0.241 0.000 1.051 29 K CA 0.453 56.723 56.287 -0.029 0.000 0.970 29 K CB 0.197 32.466 32.500 -0.385 0.000 0.755 29 K HN 0.259 nan 8.250 nan 0.000 0.465 30 L N 0.283 121.698 121.223 0.320 0.000 2.201 30 L HA -0.087 4.254 4.340 0.001 0.000 0.212 30 L C 2.584 179.573 176.870 0.199 0.000 1.105 30 L CA 0.868 55.886 54.840 0.297 0.000 0.775 30 L CB -0.155 41.993 42.059 0.149 0.000 0.913 30 L HN 0.159 nan 8.230 nan 0.000 0.440 31 R N -0.461 120.125 120.500 0.144 0.000 2.100 31 R HA -0.088 4.252 4.340 0.001 0.000 0.220 31 R C 2.197 178.566 176.300 0.116 0.000 1.091 31 R CA 0.683 56.850 56.100 0.112 0.000 0.986 31 R CB 0.168 30.515 30.300 0.079 0.000 0.888 31 R HN 0.265 nan 8.270 nan 0.000 0.444 32 E N 0.722 120.988 120.200 0.110 0.000 2.008 32 E HA -0.131 4.220 4.350 0.001 0.000 0.191 32 E C -0.015 176.659 176.600 0.123 0.000 0.986 32 E CA 1.265 57.719 56.400 0.089 0.000 0.807 32 E CB 0.053 29.778 29.700 0.042 0.000 0.766 32 E HN 0.273 nan 8.360 nan 0.000 0.450 33 D N 1.362 121.874 120.400 0.187 0.000 2.881 33 D HA -0.034 4.606 4.640 0.001 0.000 0.240 33 D C -0.076 176.414 176.300 0.316 0.000 1.249 33 D CA 0.041 54.200 54.000 0.264 0.000 0.839 33 D CB 0.030 41.039 40.800 0.347 0.000 1.042 33 D HN 0.177 nan 8.370 nan 0.000 0.475 34 D N -0.538 119.973 120.400 0.185 0.000 2.323 34 D HA -0.101 4.539 4.640 0.001 0.000 0.239 34 D C 1.179 177.434 176.300 -0.074 0.000 1.129 34 D CA 0.143 54.217 54.000 0.123 0.000 0.865 34 D CB 0.128 41.016 40.800 0.147 0.000 0.913 34 D HN 0.298 nan 8.370 nan 0.000 0.517 35 E N -0.831 119.260 120.200 -0.182 0.000 2.230 35 E HA -0.075 4.275 4.350 0.001 0.000 0.192 35 E C 0.066 176.387 176.600 -0.464 0.000 0.987 35 E CA -0.260 55.774 56.400 -0.610 0.000 0.841 35 E CB 0.003 29.497 29.700 -0.342 0.000 0.783 35 E HN 0.288 nan 8.360 nan 0.000 0.481 36 Y N 1.950 122.039 120.300 -0.352 0.000 2.890 36 Y HA -0.175 4.375 4.550 0.001 0.000 0.341 36 Y C 0.299 176.002 175.900 -0.328 0.000 1.269 36 Y CA 0.850 58.712 58.100 -0.396 0.000 1.517 36 Y CB 0.238 38.199 38.460 -0.831 0.000 1.314 36 Y HN 0.086 nan 8.280 nan 0.000 0.622 37 D N 4.598 124.436 120.400 -0.938 0.000 2.692 37 D HA -0.334 4.306 4.640 0.001 0.000 0.233 37 D C -0.462 175.658 176.300 -0.299 0.000 1.172 37 D CA 1.618 55.175 54.000 -0.738 0.000 0.636 37 D CB -1.444 38.747 40.800 -1.015 0.000 1.028 37 D HN 0.821 nan 8.370 nan 0.000 0.419 38 N N -0.225 118.364 118.700 -0.185 0.000 2.727 38 N HA -0.297 4.444 4.740 0.001 0.000 0.251 38 N C -0.357 175.270 175.510 0.195 0.000 1.040 38 N CA 0.912 53.981 53.050 0.032 0.000 0.712 38 N CB -1.280 37.236 38.487 0.048 0.000 0.912 38 N HN 0.642 nan 8.380 nan 0.000 0.545 39 Y N -3.458 116.815 120.300 -0.043 0.000 4.668 39 Y HA -0.281 4.269 4.550 0.001 0.000 0.234 39 Y C 1.573 177.473 175.900 0.000 0.000 1.056 39 Y CA 0.825 58.922 58.100 -0.004 0.000 2.025 39 Y CB -2.026 36.443 38.460 0.014 0.000 1.613 39 Y HN 0.439 nan 8.280 nan 0.000 0.653 40 I N -0.340 120.259 120.570 0.048 0.000 2.500 40 I HA 0.099 4.269 4.170 0.001 0.000 0.252 40 I C 1.713 177.859 176.117 0.048 0.000 1.142 40 I CA 1.305 62.630 61.300 0.042 0.000 1.451 40 I CB -0.216 37.782 38.000 -0.002 0.000 1.093 40 I HN 0.540 nan 8.210 nan 0.000 0.430 41 G N -0.319 108.492 108.800 0.018 0.000 2.685 41 G HA2 -0.288 3.672 3.960 0.001 0.000 0.387 41 G HA3 -0.288 3.672 3.960 0.001 0.000 0.387 41 G C -0.267 174.666 174.900 0.055 0.000 1.324 41 G CA -0.314 44.821 45.100 0.058 0.000 0.878 41 G HN 0.112 nan 8.290 nan 0.000 0.527 42 Y N 1.576 121.853 120.300 -0.038 0.000 2.511 42 Y HA 0.252 4.802 4.550 0.001 0.000 0.279 42 Y C 2.791 178.544 175.900 -0.244 0.000 1.157 42 Y CA 1.420 59.354 58.100 -0.276 0.000 1.300 42 Y CB 0.071 37.946 38.460 -0.975 0.000 1.052 42 Y HN 0.819 nan 8.280 nan 0.000 0.529 43 G N 1.744 110.540 108.800 -0.007 0.000 2.553 43 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 43 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 43 G C -0.621 174.305 174.900 0.044 0.000 1.195 43 G CA 1.109 46.210 45.100 0.001 0.000 0.779 43 G HN 0.284 nan 8.290 nan 0.000 0.577 44 P HA -0.002 nan 4.420 nan 0.000 0.217 44 P C 2.045 179.426 177.300 0.135 0.000 1.151 44 P CA 0.492 63.660 63.100 0.114 0.000 0.828 44 P CB -0.047 31.733 31.700 0.132 0.000 0.788 45 V N -0.650 119.347 119.914 0.138 0.000 2.759 45 V HA -0.149 3.972 4.120 0.001 0.000 0.256 45 V C 1.936 178.080 176.094 0.083 0.000 1.080 45 V CA 1.453 63.833 62.300 0.133 0.000 1.101 45 V CB -0.940 30.988 31.823 0.177 0.000 0.698 45 V HN 0.026 nan 8.190 nan 0.000 0.477 46 L N -1.127 120.129 121.223 0.054 0.000 2.179 46 L HA -0.049 4.292 4.340 0.001 0.000 0.208 46 L C 2.394 179.349 176.870 0.141 0.000 1.096 46 L CA 0.879 55.750 54.840 0.051 0.000 0.779 46 L CB -0.410 41.636 42.059 -0.022 0.000 0.922 46 L HN 0.219 nan 8.230 nan 0.000 0.443 47 V N -0.194 119.821 119.914 0.168 0.000 2.358 47 V HA -0.234 3.887 4.120 0.001 0.000 0.246 47 V C 2.577 178.889 176.094 0.362 0.000 1.047 47 V CA 1.566 64.025 62.300 0.266 0.000 1.035 47 V CB -0.633 31.277 31.823 0.145 0.000 0.658 47 V HN 0.435 nan 8.190 nan 0.000 0.452 48 R N -0.367 120.302 120.500 0.281 0.000 2.148 48 R HA -0.094 4.246 4.340 0.001 0.000 0.223 48 R C 2.193 178.610 176.300 0.195 0.000 1.088 48 R CA 1.120 57.426 56.100 0.343 0.000 0.985 48 R CB -0.152 30.271 30.300 0.205 0.000 0.880 48 R HN 0.455 nan 8.270 nan 0.000 0.451 49 L N 0.458 121.727 121.223 0.077 0.000 2.072 49 L HA 0.062 4.402 4.340 0.001 0.000 0.205 49 L C 2.182 179.047 176.870 -0.010 0.000 1.079 49 L CA 1.948 56.721 54.840 -0.110 0.000 0.752 49 L CB -0.586 41.373 42.059 -0.168 0.000 0.906 49 L HN 0.125 nan 8.230 nan 0.000 0.436 50 A N -0.297 122.630 122.820 0.179 0.000 1.978 50 A HA -0.256 4.065 4.320 0.001 0.000 0.220 50 A C 2.226 180.003 177.584 0.321 0.000 1.170 50 A CA 1.801 53.985 52.037 0.245 0.000 0.636 50 A CB -1.252 17.946 19.000 0.331 0.000 0.810 50 A HN 0.830 nan 8.150 nan 0.000 0.448 51 W N -0.554 120.921 121.300 0.292 0.000 2.481 51 W HA -0.056 4.605 4.660 0.001 0.000 0.293 51 W C 1.589 178.285 176.519 0.295 0.000 1.201 51 W CA 1.326 58.874 57.345 0.338 0.000 1.328 51 W CB -0.635 29.081 29.460 0.426 0.000 1.112 51 W HN 0.537 nan 8.180 nan 0.000 0.546 52 H N 1.457 120.251 119.070 -0.460 0.000 2.491 52 H HA -0.108 4.449 4.556 0.001 0.000 0.290 52 H C 2.216 177.362 175.328 -0.304 0.000 1.050 52 H CA 1.817 57.518 56.048 -0.578 0.000 1.309 52 H CB 0.203 29.729 29.762 -0.393 0.000 1.392 52 H HN 0.353 nan 8.280 nan 0.000 0.554 53 I N -1.974 118.546 120.570 -0.083 0.000 2.584 53 I HA -0.034 4.137 4.170 0.001 0.000 0.255 53 I C 1.986 178.134 176.117 0.053 0.000 1.145 53 I CA 0.856 62.153 61.300 -0.005 0.000 1.462 53 I CB 0.061 38.076 38.000 0.025 0.000 1.102 53 I HN -0.108 nan 8.210 nan 0.000 0.433 54 S N 1.369 117.100 115.700 0.052 0.000 2.439 54 S HA 0.154 4.625 4.470 0.001 0.000 0.224 54 S C 1.943 176.610 174.600 0.112 0.000 1.029 54 S CA 0.720 58.976 58.200 0.093 0.000 0.946 54 S CB -0.215 63.061 63.200 0.127 0.000 0.797 54 S HN 0.676 nan 8.310 nan 0.000 0.504 55 G N 1.862 110.638 108.800 -0.040 0.000 2.776 55 G HA2 -0.046 3.914 3.960 0.001 0.000 0.209 55 G HA3 -0.046 3.914 3.960 0.001 0.000 0.209 55 G C 1.156 176.035 174.900 -0.036 0.000 1.145 55 G CA 1.115 46.146 45.100 -0.115 0.000 0.791 55 G HN 0.590 nan 8.290 nan 0.000 0.530 56 T N -3.747 110.820 114.554 0.023 0.000 3.122 56 T HA 0.088 4.439 4.350 0.001 0.000 0.250 56 T C 0.549 175.344 174.700 0.158 0.000 1.067 56 T CA -0.873 61.269 62.100 0.069 0.000 0.966 56 T CB -0.093 68.816 68.868 0.068 0.000 1.002 56 T HN 0.198 nan 8.240 nan 0.000 0.542 57 W N 2.356 123.651 121.300 -0.008 0.000 2.170 57 W HA 0.509 5.169 4.660 0.001 0.000 0.336 57 W C -0.754 175.737 176.519 -0.047 0.000 1.283 57 W CA -0.415 56.928 57.345 -0.003 0.000 1.224 57 W CB 0.684 30.153 29.460 0.014 0.000 1.132 57 W HN 0.009 nan 8.180 nan 0.000 0.571 58 D N 3.934 123.906 120.400 -0.713 0.000 2.542 58 D HA 0.079 4.719 4.640 0.001 0.000 0.252 58 D C 0.732 176.262 176.300 -1.283 0.000 1.222 58 D CA -0.403 53.144 54.000 -0.755 0.000 0.895 58 D CB 1.442 42.054 40.800 -0.314 0.000 1.207 58 D HN 0.527 nan 8.370 nan 0.000 0.558 59 K N 1.928 121.428 120.400 -1.499 0.000 2.360 59 K HA -0.130 4.191 4.320 0.001 0.000 0.201 59 K C 0.949 177.154 176.600 -0.658 0.000 1.046 59 K CA 1.336 56.855 56.287 -1.280 0.000 0.945 59 K CB -0.181 31.776 32.500 -0.905 0.000 0.750 59 K HN 0.406 nan 8.250 nan 0.000 0.464 60 H N 1.034 119.868 119.070 -0.393 0.000 2.326 60 H HA -0.062 4.495 4.556 0.001 0.000 0.301 60 H C 0.794 176.008 175.328 -0.190 0.000 1.081 60 H CA 1.550 57.460 56.048 -0.230 0.000 1.334 60 H CB 0.041 29.691 29.762 -0.188 0.000 1.385 60 H HN 0.669 nan 8.280 nan 0.000 0.504 61 D N -1.937 118.405 120.400 -0.097 0.000 2.500 61 D HA 0.035 4.676 4.640 0.001 0.000 0.217 61 D C -0.016 176.226 176.300 -0.098 0.000 1.159 61 D CA -0.181 53.771 54.000 -0.081 0.000 0.828 61 D CB -0.263 40.509 40.800 -0.046 0.000 1.039 61 D HN 0.180 nan 8.370 nan 0.000 0.512 62 N N 0.067 118.660 118.700 -0.178 0.000 2.741 62 N HA -0.193 4.547 4.740 0.001 0.000 0.250 62 N C -0.784 174.798 175.510 0.120 0.000 1.115 62 N CA 1.320 54.356 53.050 -0.023 0.000 0.724 62 N CB -1.438 37.087 38.487 0.064 0.000 1.090 62 N HN 0.558 nan 8.380 nan 0.000 0.558 63 T N -2.921 111.644 114.554 0.018 0.000 2.918 63 T HA 0.721 5.071 4.350 0.001 0.000 0.283 63 T C 1.171 175.999 174.700 0.214 0.000 1.001 63 T CA 0.130 62.316 62.100 0.142 0.000 1.041 63 T CB 1.754 70.663 68.868 0.069 0.000 1.028 63 T HN 1.053 nan 8.240 nan 0.000 0.511 64 G N 0.110 109.064 108.800 0.256 0.000 2.642 64 G HA2 0.370 4.330 3.960 0.001 0.000 0.231 64 G HA3 0.370 4.330 3.960 0.001 0.000 0.231 64 G C 0.339 175.453 174.900 0.357 0.000 1.338 64 G CA 0.067 45.326 45.100 0.264 0.000 0.883 64 G HN 2.770 nan 8.290 nan 0.000 0.570 65 G N -2.735 106.248 108.800 0.305 0.000 2.685 65 G HA2 0.316 4.276 3.960 0.001 0.000 0.387 65 G HA3 0.316 4.276 3.960 0.001 0.000 0.387 65 G C 1.276 176.266 174.900 0.150 0.000 1.324 65 G CA 1.327 46.555 45.100 0.212 0.000 0.878 65 G HN 2.491 nan 8.290 nan 0.000 0.527 66 S N -1.384 114.373 115.700 0.095 0.000 2.414 66 S HA -0.067 4.403 4.470 0.001 0.000 0.227 66 S C 1.962 176.637 174.600 0.126 0.000 1.022 66 S CA 1.901 60.174 58.200 0.121 0.000 0.958 66 S CB -0.431 62.821 63.200 0.087 0.000 0.797 66 S HN 1.370 nan 8.310 nan 0.000 0.493 67 Y N 3.076 123.338 120.300 -0.063 0.000 1.997 67 Y HA -0.219 4.331 4.550 0.001 0.000 0.265 67 Y C 2.559 178.410 175.900 -0.081 0.000 1.193 67 Y CA 1.804 59.824 58.100 -0.135 0.000 1.106 67 Y CB -1.123 37.132 38.460 -0.342 0.000 0.940 67 Y HN 0.344 nan 8.280 nan 0.000 0.494 68 G N -1.620 107.203 108.800 0.039 0.000 2.509 68 G HA2 0.042 4.002 3.960 0.001 0.000 0.218 68 G HA3 0.042 4.002 3.960 0.001 0.000 0.218 68 G C 1.369 176.329 174.900 0.100 0.000 1.124 68 G CA 0.598 45.727 45.100 0.048 0.000 0.776 68 G HN 1.077 nan 8.290 nan 0.000 0.547 69 G N 0.182 109.074 108.800 0.153 0.000 2.283 69 G HA2 -0.307 3.654 3.960 0.001 0.000 0.280 69 G HA3 -0.307 3.654 3.960 0.001 0.000 0.280 69 G C 1.108 176.204 174.900 0.328 0.000 1.029 69 G CA 1.415 46.675 45.100 0.267 0.000 0.840 69 G HN 1.195 nan 8.290 nan 0.000 0.505 70 T N -3.250 111.506 114.554 0.337 0.000 3.228 70 T HA -0.049 4.302 4.350 0.001 0.000 0.261 70 T C 1.633 176.546 174.700 0.355 0.000 1.171 70 T CA 1.277 63.627 62.100 0.417 0.000 1.056 70 T CB -0.122 68.985 68.868 0.399 0.000 0.938 70 T HN 0.643 nan 8.240 nan 0.000 0.539 71 Y N 2.848 123.270 120.300 0.204 0.000 2.516 71 Y HA 0.075 4.626 4.550 0.001 0.000 0.291 71 Y C 2.343 178.249 175.900 0.010 0.000 1.131 71 Y CA 0.290 58.450 58.100 0.100 0.000 1.281 71 Y CB -0.168 38.243 38.460 -0.082 0.000 1.013 71 Y HN 0.295 nan 8.280 nan 0.000 0.554 72 R N -1.044 119.399 120.500 -0.096 0.000 2.316 72 R HA -0.005 4.335 4.340 0.001 0.000 0.202 72 R C -0.702 175.186 176.300 -0.687 0.000 1.029 72 R CA 0.268 56.117 56.100 -0.419 0.000 1.018 72 R CB -0.617 29.509 30.300 -0.290 0.000 0.888 72 R HN 0.153 nan 8.270 nan 0.000 0.471 73 F N 1.956 121.822 119.950 -0.139 0.000 2.432 73 F HA 0.273 4.801 4.527 0.001 0.000 0.329 73 F C 1.510 177.236 175.800 -0.123 0.000 1.076 73 F CA -1.647 56.284 58.000 -0.114 0.000 1.018 73 F CB 1.728 40.715 39.000 -0.021 0.000 1.201 73 F HN -0.174 nan 8.300 nan 0.000 0.489 74 K N 0.941 121.418 120.400 0.128 0.000 2.103 74 K HA -0.211 4.110 4.320 0.001 0.000 0.207 74 K C 1.680 178.345 176.600 0.107 0.000 1.048 74 K CA 1.856 58.194 56.287 0.086 0.000 0.930 74 K CB -0.102 32.434 32.500 0.061 0.000 0.716 74 K HN 0.600 nan 8.250 nan 0.000 0.444 75 K N 1.048 121.513 120.400 0.108 0.000 2.002 75 K HA -0.209 4.111 4.320 0.001 0.000 0.209 75 K C 2.266 178.924 176.600 0.097 0.000 1.048 75 K CA 1.988 58.328 56.287 0.087 0.000 0.930 75 K CB -0.061 32.483 32.500 0.073 0.000 0.714 75 K HN 0.377 nan 8.250 nan 0.000 0.438 76 E N -0.625 119.652 120.200 0.127 0.000 2.107 76 E HA -0.166 4.185 4.350 0.001 0.000 0.191 76 E C 1.893 178.554 176.600 0.101 0.000 0.982 76 E CA 0.692 57.178 56.400 0.143 0.000 0.809 76 E CB -0.099 29.728 29.700 0.211 0.000 0.756 76 E HN 0.277 nan 8.360 nan 0.000 0.459 77 F N 1.807 121.620 119.950 -0.229 0.000 2.171 77 F HA -0.125 4.403 4.527 0.000 0.000 0.300 77 F C 1.532 177.220 175.800 -0.188 0.000 1.090 77 F CA 1.263 58.984 58.000 -0.466 0.000 1.293 77 F CB 0.095 38.709 39.000 -0.644 0.000 1.013 77 F HN 0.022 nan 8.300 nan 0.000 0.486 78 N N 0.451 119.151 118.700 0.001 0.000 2.322 78 N HA -0.032 4.709 4.740 0.001 0.000 0.194 78 N C -0.423 175.077 175.510 -0.016 0.000 1.126 78 N CA 0.213 53.246 53.050 -0.029 0.000 0.845 78 N CB -0.725 37.788 38.487 0.044 0.000 0.976 78 N HN 0.269 nan 8.380 nan 0.000 0.475 79 D N 1.370 121.774 120.400 0.006 0.000 2.520 79 D HA 0.002 4.643 4.640 0.001 0.000 0.243 79 D C -1.525 174.793 176.300 0.030 0.000 1.160 79 D CA -1.279 52.743 54.000 0.038 0.000 0.877 79 D CB 1.178 42.023 40.800 0.074 0.000 1.150 79 D HN 0.027 nan 8.370 nan 0.000 0.494 80 P HA -0.071 nan 4.420 nan 0.000 0.222 80 P C 0.832 178.175 177.300 0.070 0.000 1.147 80 P CA 0.761 63.885 63.100 0.039 0.000 0.790 80 P CB 0.313 32.036 31.700 0.038 0.000 0.780 81 S N -1.125 114.630 115.700 0.093 0.000 2.470 81 S HA 0.012 4.482 4.470 0.001 0.000 0.225 81 S C 1.325 176.065 174.600 0.232 0.000 1.006 81 S CA 0.623 58.915 58.200 0.154 0.000 0.934 81 S CB -0.546 62.717 63.200 0.104 0.000 0.778 81 S HN 0.203 nan 8.310 nan 0.000 0.517 82 N N 1.877 120.672 118.700 0.158 0.000 2.314 82 N HA 0.261 5.002 4.740 0.001 0.000 0.200 82 N C -0.044 175.468 175.510 0.004 0.000 1.135 82 N CA -0.050 53.076 53.050 0.126 0.000 0.835 82 N CB 0.136 38.725 38.487 0.170 0.000 0.989 82 N HN 0.285 nan 8.380 nan 0.000 0.478 83 A N -0.209 122.620 122.820 0.014 0.000 2.491 83 A HA 0.497 4.818 4.320 0.001 0.000 0.261 83 A C 1.412 178.997 177.584 0.002 0.000 1.101 83 A CA 0.651 52.680 52.037 -0.014 0.000 0.772 83 A CB -0.217 18.792 19.000 0.015 0.000 1.043 83 A HN 0.398 nan 8.150 nan 0.000 0.501 84 G N 1.273 110.061 108.800 -0.021 0.000 2.278 84 G HA2 -0.222 3.738 3.960 0.001 0.000 0.210 84 G HA3 -0.222 3.738 3.960 0.001 0.000 0.210 84 G C 0.793 175.707 174.900 0.023 0.000 1.000 84 G CA 0.224 45.328 45.100 0.007 0.000 0.635 84 G HN 0.697 nan 8.290 nan 0.000 0.495 85 L N 0.742 121.957 121.223 -0.013 0.000 2.395 85 L HA 0.059 4.399 4.340 0.001 0.000 0.218 85 L C 2.819 179.764 176.870 0.125 0.000 1.130 85 L CA 1.376 56.223 54.840 0.011 0.000 0.826 85 L CB -0.293 41.717 42.059 -0.081 0.000 0.941 85 L HN 0.298 nan 8.230 nan 0.000 0.451 86 Q N 0.016 119.842 119.800 0.043 0.000 2.181 86 Q HA -0.177 4.163 4.340 0.001 0.000 0.205 86 Q C 1.887 178.062 176.000 0.292 0.000 0.980 86 Q CA 1.363 57.246 55.803 0.133 0.000 0.862 86 Q CB -0.204 28.515 28.738 -0.032 0.000 0.905 86 Q HN 0.445 nan 8.270 nan 0.000 0.429 87 N N -0.174 118.641 118.700 0.192 0.000 2.188 87 N HA -0.086 4.654 4.740 0.001 0.000 0.184 87 N C 1.749 177.368 175.510 0.181 0.000 1.018 87 N CA 1.461 54.616 53.050 0.175 0.000 0.858 87 N CB -0.584 37.972 38.487 0.115 0.000 0.989 87 N HN 0.397 nan 8.380 nan 0.000 0.426 88 G N -0.317 108.590 108.800 0.178 0.000 2.421 88 G HA2 -0.178 3.782 3.960 0.001 0.000 0.217 88 G HA3 -0.178 3.782 3.960 0.001 0.000 0.217 88 G C 1.393 176.436 174.900 0.239 0.000 1.143 88 G CA -0.016 45.169 45.100 0.140 0.000 0.784 88 G HN 0.290 nan 8.290 nan 0.000 0.541 89 F N 1.305 121.381 119.950 0.210 0.000 2.084 89 F HA 0.081 4.609 4.527 0.001 0.000 0.296 89 F C 2.582 178.529 175.800 0.246 0.000 1.111 89 F CA 1.697 59.891 58.000 0.323 0.000 1.224 89 F CB 0.075 39.399 39.000 0.540 0.000 0.991 89 F HN 0.042 nan 8.300 nan 0.000 0.471 90 K N -0.208 120.352 120.400 0.266 0.000 2.209 90 K HA -0.200 4.120 4.320 0.001 0.000 0.204 90 K C 1.886 178.443 176.600 -0.070 0.000 1.048 90 K CA 1.525 57.861 56.287 0.083 0.000 0.940 90 K CB -0.661 31.945 32.500 0.176 0.000 0.729 90 K HN 0.430 nan 8.250 nan 0.000 0.451 91 F N 0.074 119.864 119.950 -0.266 0.000 2.163 91 F HA -0.006 4.521 4.527 0.001 0.000 0.297 91 F C 1.273 176.884 175.800 -0.315 0.000 1.094 91 F CA 1.168 58.897 58.000 -0.451 0.000 1.290 91 F CB 0.075 38.625 39.000 -0.751 0.000 1.017 91 F HN -0.090 nan 8.300 nan 0.000 0.483 92 L N -0.009 121.183 121.223 -0.052 0.000 2.395 92 L HA -0.066 4.275 4.340 0.001 0.000 0.218 92 L C 2.274 178.993 176.870 -0.251 0.000 1.130 92 L CA 0.773 55.536 54.840 -0.129 0.000 0.826 92 L CB -0.611 41.479 42.059 0.050 0.000 0.941 92 L HN 0.241 nan 8.230 nan 0.000 0.451 93 E N 0.797 120.795 120.200 -0.336 0.000 2.077 93 E HA -0.204 4.146 4.350 0.001 0.000 0.193 93 E C -0.630 175.843 176.600 -0.211 0.000 0.989 93 E CA 1.237 57.446 56.400 -0.317 0.000 0.800 93 E CB -0.380 29.095 29.700 -0.376 0.000 0.746 93 E HN 0.337 nan 8.360 nan 0.000 0.452 94 P HA -0.089 nan 4.420 nan 0.000 0.221 94 P C 0.932 178.118 177.300 -0.191 0.000 1.150 94 P CA 1.034 64.007 63.100 -0.211 0.000 0.800 94 P CB 0.067 31.621 31.700 -0.242 0.000 0.787 95 I N -1.792 118.664 120.570 -0.190 0.000 2.439 95 I HA -0.193 3.978 4.170 0.001 0.000 0.251 95 I C 2.398 178.530 176.117 0.025 0.000 1.139 95 I CA 1.099 62.352 61.300 -0.080 0.000 1.438 95 I CB -0.594 37.321 38.000 -0.142 0.000 1.085 95 I HN 0.001 nan 8.210 nan 0.000 0.427 96 H N 1.636 120.591 119.070 -0.192 0.000 2.462 96 H HA -0.017 4.539 4.556 0.001 0.000 0.292 96 H C 1.811 177.015 175.328 -0.207 0.000 1.049 96 H CA 1.407 57.322 56.048 -0.222 0.000 1.334 96 H CB 0.178 29.784 29.762 -0.260 0.000 1.404 96 H HN 0.186 nan 8.280 nan 0.000 0.544 97 K N -0.211 120.085 120.400 -0.173 0.000 2.400 97 K HA -0.004 4.316 4.320 0.001 0.000 0.194 97 K C 1.778 178.235 176.600 -0.238 0.000 1.033 97 K CA 0.419 56.566 56.287 -0.233 0.000 1.021 97 K CB 0.516 32.894 32.500 -0.202 0.000 0.808 97 K HN 0.352 nan 8.250 nan 0.000 0.505 98 E N -0.029 120.004 120.200 -0.279 0.000 2.250 98 E HA -0.013 4.338 4.350 0.001 0.000 0.192 98 E C -0.504 175.664 176.600 -0.721 0.000 0.986 98 E CA 0.527 56.628 56.400 -0.499 0.000 0.849 98 E CB 0.401 29.741 29.700 -0.600 0.000 0.797 98 E HN 0.096 nan 8.360 nan 0.000 0.482 99 F N 0.901 120.711 119.950 -0.232 0.000 2.531 99 F HA 0.302 4.829 4.527 0.001 0.000 0.333 99 F C -1.875 173.544 175.800 -0.635 0.000 1.292 99 F CA -1.902 55.822 58.000 -0.461 0.000 1.184 99 F CB 1.656 40.245 39.000 -0.685 0.000 1.426 99 F HN -0.039 nan 8.300 nan 0.000 0.559 100 P HA -0.173 nan 4.420 nan 0.000 0.222 100 P C 1.510 178.727 177.300 -0.139 0.000 1.147 100 P CA 1.470 64.427 63.100 -0.239 0.000 0.790 100 P CB -0.019 31.602 31.700 -0.132 0.000 0.780 101 W N 0.207 121.538 121.300 0.052 0.000 2.425 101 W HA 0.079 4.739 4.660 0.001 0.000 0.277 101 W C 1.025 177.603 176.519 0.098 0.000 1.231 101 W CA -0.409 56.970 57.345 0.056 0.000 1.248 101 W CB -1.642 27.835 29.460 0.028 0.000 1.117 101 W HN -0.152 nan 8.180 nan 0.000 0.568 102 I N 3.935 124.223 120.570 -0.470 0.000 2.648 102 I HA -0.035 4.135 4.170 0.001 0.000 0.284 102 I C 1.092 177.173 176.117 -0.060 0.000 1.153 102 I CA 0.169 61.286 61.300 -0.304 0.000 1.426 102 I CB 0.894 38.457 38.000 -0.729 0.000 1.381 102 I HN -0.097 nan 8.210 nan 0.000 0.571 103 S N 4.327 120.031 115.700 0.006 0.000 2.592 103 S HA 0.165 4.636 4.470 0.001 0.000 0.271 103 S C 1.019 175.447 174.600 -0.286 0.000 1.326 103 S CA -0.539 57.621 58.200 -0.066 0.000 1.024 103 S CB 1.691 64.864 63.200 -0.044 0.000 0.921 103 S HN 0.729 nan 8.310 nan 0.000 0.527 104 S N 2.426 117.902 115.700 -0.374 0.000 2.374 104 S HA -0.062 4.408 4.470 0.001 0.000 0.227 104 S C 2.104 176.245 174.600 -0.765 0.000 1.037 104 S CA 1.556 59.299 58.200 -0.761 0.000 1.024 104 S CB -1.146 61.787 63.200 -0.446 0.000 0.861 104 S HN 0.967 nan 8.310 nan 0.000 0.456 105 G N 1.351 109.996 108.800 -0.258 0.000 2.418 105 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 105 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 105 G C 1.094 176.015 174.900 0.035 0.000 1.158 105 G CA 0.983 46.065 45.100 -0.030 0.000 0.771 105 G HN 0.380 nan 8.290 nan 0.000 0.545 106 D N -0.184 120.239 120.400 0.038 0.000 2.144 106 D HA -0.059 4.582 4.640 0.001 0.000 0.200 106 D C 2.394 178.810 176.300 0.193 0.000 0.978 106 D CA 0.454 54.646 54.000 0.320 0.000 0.833 106 D CB -0.107 40.936 40.800 0.405 0.000 0.961 106 D HN 0.273 nan 8.370 nan 0.000 0.470 107 L N -0.275 120.851 121.223 -0.161 0.000 2.044 107 L HA -0.073 4.268 4.340 0.001 0.000 0.205 107 L C 1.922 178.716 176.870 -0.125 0.000 1.075 107 L CA 1.362 56.026 54.840 -0.294 0.000 0.747 107 L CB -0.508 41.194 42.059 -0.596 0.000 0.903 107 L HN -0.154 nan 8.230 nan 0.000 0.435 108 F N 0.200 120.138 119.950 -0.021 0.000 2.134 108 F HA -0.174 4.354 4.527 0.001 0.000 0.299 108 F C 2.922 178.744 175.800 0.035 0.000 1.097 108 F CA 1.188 59.198 58.000 0.016 0.000 1.264 108 F CB -1.700 37.326 39.000 0.044 0.000 1.001 108 F HN 0.367 nan 8.300 nan 0.000 0.479 109 S N -0.070 115.794 115.700 0.272 0.000 2.371 109 S HA -0.117 4.353 4.470 0.001 0.000 0.224 109 S C 2.115 176.775 174.600 0.100 0.000 1.029 109 S CA 0.708 59.054 58.200 0.242 0.000 0.978 109 S CB -1.035 62.400 63.200 0.392 0.000 0.833 109 S HN 0.417 nan 8.310 nan 0.000 0.466 110 L N 1.471 122.629 121.223 -0.108 0.000 2.141 110 L HA 0.049 4.390 4.340 0.001 0.000 0.209 110 L C 2.611 179.315 176.870 -0.277 0.000 1.094 110 L CA 1.198 55.691 54.840 -0.579 0.000 0.763 110 L CB -0.945 40.596 42.059 -0.863 0.000 0.908 110 L HN 0.562 nan 8.230 nan 0.000 0.437 111 G N -1.096 107.638 108.800 -0.109 0.000 2.443 111 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 111 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 111 G C 1.419 176.333 174.900 0.023 0.000 1.131 111 G CA 0.616 45.695 45.100 -0.036 0.000 0.775 111 G HN 0.530 nan 8.290 nan 0.000 0.547 112 G N 0.037 108.900 108.800 0.104 0.000 2.453 112 G HA2 0.005 3.965 3.960 0.001 0.000 0.215 112 G HA3 0.005 3.965 3.960 0.001 0.000 0.215 112 G C 1.645 176.734 174.900 0.315 0.000 1.147 112 G CA 0.910 46.170 45.100 0.266 0.000 0.802 112 G HN 0.286 nan 8.290 nan 0.000 0.535 113 V N 1.102 121.123 119.914 0.178 0.000 2.453 113 V HA -0.117 4.003 4.120 0.001 0.000 0.247 113 V C 3.108 179.285 176.094 0.138 0.000 1.048 113 V CA 2.226 64.648 62.300 0.204 0.000 1.049 113 V CB -0.534 31.375 31.823 0.142 0.000 0.672 113 V HN 0.355 nan 8.190 nan 0.000 0.457 114 T N 0.473 115.007 114.554 -0.033 0.000 2.777 114 T HA -0.117 4.233 4.350 0.001 0.000 0.266 114 T C 2.096 176.699 174.700 -0.161 0.000 1.040 114 T CA 1.496 63.428 62.100 -0.280 0.000 1.141 114 T CB -0.389 68.117 68.868 -0.603 0.000 0.868 114 T HN 0.544 nan 8.240 nan 0.000 0.444 115 A N 1.121 123.897 122.820 -0.073 0.000 1.865 115 A HA -0.074 4.246 4.320 0.001 0.000 0.217 115 A C 2.597 180.155 177.584 -0.044 0.000 1.191 115 A CA 1.531 53.545 52.037 -0.038 0.000 0.623 115 A CB -1.142 17.862 19.000 0.008 0.000 0.826 115 A HN 0.337 nan 8.150 nan 0.000 0.444 116 V N -0.108 119.763 119.914 -0.071 0.000 2.427 116 V HA -0.286 3.834 4.120 0.001 0.000 0.248 116 V C 2.661 178.597 176.094 -0.263 0.000 1.051 116 V CA 2.214 64.339 62.300 -0.291 0.000 1.048 116 V CB -0.787 30.785 31.823 -0.417 0.000 0.666 116 V HN 0.622 nan 8.190 nan 0.000 0.456 117 Q N -0.684 119.068 119.800 -0.080 0.000 2.079 117 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 117 Q C 2.161 178.182 176.000 0.035 0.000 0.974 117 Q CA 1.142 56.948 55.803 0.005 0.000 0.840 117 Q CB -0.087 28.771 28.738 0.201 0.000 0.898 117 Q HN 0.566 nan 8.270 nan 0.000 0.430 118 E N -0.026 120.190 120.200 0.028 0.000 2.482 118 E HA -0.067 4.283 4.350 0.001 0.000 0.196 118 E C 0.819 177.444 176.600 0.043 0.000 1.047 118 E CA 0.543 56.965 56.400 0.036 0.000 0.869 118 E CB 0.100 29.793 29.700 -0.012 0.000 0.836 118 E HN 0.284 nan 8.360 nan 0.000 0.520 119 M N 0.041 119.658 119.600 0.029 0.000 2.551 119 M HA 0.024 4.504 4.480 0.001 0.000 0.252 119 M C -0.436 175.931 176.300 0.112 0.000 1.219 119 M CA 0.238 55.581 55.300 0.073 0.000 0.978 119 M CB 0.238 32.888 32.600 0.084 0.000 1.533 119 M HN -0.197 nan 8.290 nan 0.000 0.474 120 Q N -1.435 118.419 119.800 0.089 0.000 2.481 120 Q HA -0.153 4.188 4.340 0.001 0.000 0.258 120 Q C 0.316 176.401 176.000 0.142 0.000 0.961 120 Q CA 1.062 56.942 55.803 0.129 0.000 1.121 120 Q CB -2.188 26.649 28.738 0.165 0.000 1.503 120 Q HN 0.714 nan 8.270 nan 0.000 0.544 121 G N 0.113 108.874 108.800 -0.064 0.000 2.537 121 G HA2 0.655 4.615 3.960 0.001 0.000 0.297 121 G HA3 0.655 4.615 3.960 0.001 0.000 0.297 121 G C -2.295 172.252 174.900 -0.589 0.000 1.310 121 G CA -0.907 43.903 45.100 -0.484 0.000 1.027 121 G HN 0.109 nan 8.290 nan 0.000 0.505 122 P HA 0.224 nan 4.420 nan 0.000 0.272 122 P C -0.811 176.352 177.300 -0.228 0.000 1.240 122 P CA -0.371 62.441 63.100 -0.479 0.000 0.791 122 P CB 0.920 32.311 31.700 -0.515 0.000 0.978 123 K N 1.323 121.675 120.400 -0.080 0.000 2.297 123 K HA 0.303 4.623 4.320 0.001 0.000 0.286 123 K C -0.113 176.487 176.600 -0.001 0.000 1.053 123 K CA -0.054 56.226 56.287 -0.012 0.000 0.940 123 K CB -0.118 32.389 32.500 0.012 0.000 1.019 123 K HN 0.325 nan 8.250 nan 0.000 0.475 124 I N 6.454 127.057 120.570 0.055 0.000 2.330 124 I HA 0.277 4.447 4.170 0.001 0.000 0.289 124 I C -2.240 173.935 176.117 0.098 0.000 1.001 124 I CA -2.993 58.357 61.300 0.084 0.000 1.193 124 I CB 1.042 39.149 38.000 0.178 0.000 1.345 124 I HN 0.340 nan 8.210 nan 0.000 0.461 125 P HA 0.066 nan 4.420 nan 0.000 0.271 125 P C -0.991 176.324 177.300 0.025 0.000 1.226 125 P CA 0.158 63.243 63.100 -0.026 0.000 0.765 125 P CB 0.414 32.053 31.700 -0.103 0.000 0.835 126 W N 5.341 126.534 121.300 -0.179 0.000 2.736 126 W HA 0.496 5.156 4.660 0.000 0.000 0.335 126 W C -0.810 175.524 176.519 -0.309 0.000 1.059 126 W CA -0.674 56.588 57.345 -0.139 0.000 1.226 126 W CB 1.645 31.179 29.460 0.124 0.000 1.416 126 W HN 0.208 nan 8.180 nan 0.000 0.505 127 R N 4.424 124.236 120.500 -1.146 0.000 2.599 127 R HA 0.555 4.896 4.340 0.001 0.000 0.295 127 R C -0.132 175.223 176.300 -1.575 0.000 0.963 127 R CA -0.751 54.588 56.100 -1.268 0.000 0.883 127 R CB 1.174 30.759 30.300 -1.191 0.000 1.171 127 R HN 0.686 nan 8.270 nan 0.000 0.450 128 C N -0.768 117.845 119.300 -1.144 0.000 2.517 128 C HA 0.891 5.351 4.460 0.001 0.000 0.357 128 C C 1.406 176.274 174.990 -0.203 0.000 1.485 128 C CA 0.467 59.028 59.018 -0.761 0.000 2.148 128 C CB 0.428 27.861 27.740 -0.512 0.000 2.019 128 C HN 1.046 nan 8.230 nan 0.000 0.576 129 G N -0.061 108.730 108.800 -0.015 0.000 2.192 129 G HA2 -0.131 3.830 3.960 0.001 0.000 0.193 129 G HA3 -0.131 3.830 3.960 0.001 0.000 0.193 129 G C -0.027 174.874 174.900 0.002 0.000 0.999 129 G CA -0.232 44.906 45.100 0.062 0.000 0.659 129 G HN 0.943 nan 8.290 nan 0.000 0.503 130 R N 0.299 120.755 120.500 -0.073 0.000 2.442 130 R HA 0.466 4.807 4.340 0.001 0.000 0.291 130 R C 0.011 176.029 176.300 -0.470 0.000 1.069 130 R CA -0.078 55.834 56.100 -0.314 0.000 1.022 130 R CB 1.364 31.561 30.300 -0.171 0.000 0.976 130 R HN 0.092 nan 8.270 nan 0.000 0.443 131 V N 3.107 122.400 119.914 -1.036 0.000 2.483 131 V HA 0.086 4.207 4.120 0.001 0.000 0.295 131 V C -0.199 175.608 176.094 -0.479 0.000 1.035 131 V CA -0.875 61.094 62.300 -0.551 0.000 0.896 131 V CB 1.861 33.521 31.823 -0.272 0.000 0.986 131 V HN 0.644 nan 8.190 nan 0.000 0.447 132 D N 3.008 123.300 120.400 -0.179 0.000 2.417 132 D HA 0.345 4.986 4.640 0.001 0.000 0.250 132 D C 0.474 176.791 176.300 0.028 0.000 1.166 132 D CA 0.406 54.375 54.000 -0.052 0.000 0.881 132 D CB 0.975 41.782 40.800 0.011 0.000 1.164 132 D HN 0.793 nan 8.370 nan 0.000 0.467 133 T N -0.092 114.523 114.554 0.101 0.000 2.918 133 T HA 0.638 4.989 4.350 0.001 0.000 0.286 133 T C -2.522 172.308 174.700 0.217 0.000 1.026 133 T CA -1.959 60.237 62.100 0.159 0.000 1.031 133 T CB 1.806 70.786 68.868 0.187 0.000 1.046 133 T HN 0.050 nan 8.240 nan 0.000 0.479 134 P HA 0.105 nan 4.420 nan 0.000 0.268 134 P C 0.797 178.009 177.300 -0.147 0.000 1.208 134 P CA -0.089 63.043 63.100 0.052 0.000 0.777 134 P CB 0.758 32.471 31.700 0.021 0.000 0.875 135 E N 1.900 121.752 120.200 -0.581 0.000 2.236 135 E HA -0.295 4.055 4.350 0.001 0.000 0.205 135 E C 1.244 177.575 176.600 -0.448 0.000 1.028 135 E CA 2.280 58.050 56.400 -1.051 0.000 0.827 135 E CB -0.398 28.738 29.700 -0.939 0.000 0.735 135 E HN 0.536 nan 8.360 nan 0.000 0.470 136 D N -1.389 118.877 120.400 -0.224 0.000 2.363 136 D HA -0.091 4.549 4.640 0.001 0.000 0.220 136 D C 1.243 177.522 176.300 -0.035 0.000 0.994 136 D CA 1.056 54.994 54.000 -0.104 0.000 0.890 136 D CB -0.166 40.596 40.800 -0.063 0.000 0.906 136 D HN 0.130 nan 8.370 nan 0.000 0.530 137 T N 0.059 114.608 114.554 -0.010 0.000 3.186 137 T HA 0.076 4.426 4.350 0.001 0.000 0.257 137 T C -0.007 174.752 174.700 0.099 0.000 1.029 137 T CA -0.207 61.934 62.100 0.069 0.000 0.916 137 T CB -0.349 68.593 68.868 0.124 0.000 1.041 137 T HN -0.004 nan 8.240 nan 0.000 0.562 138 T N 5.606 120.198 114.554 0.064 0.000 2.761 138 T HA 0.327 4.677 4.350 0.001 0.000 0.296 138 T C -2.383 172.372 174.700 0.093 0.000 0.934 138 T CA -0.932 61.236 62.100 0.112 0.000 1.091 138 T CB 1.188 70.116 68.868 0.100 0.000 0.896 138 T HN 0.294 nan 8.240 nan 0.000 0.515 139 P HA 0.175 nan 4.420 nan 0.000 0.271 139 P C -0.422 176.923 177.300 0.076 0.000 1.218 139 P CA -0.518 62.636 63.100 0.090 0.000 0.780 139 P CB 0.762 32.523 31.700 0.102 0.000 0.901 140 D N 1.639 122.074 120.400 0.058 0.000 2.400 140 D HA 0.052 4.692 4.640 0.001 0.000 0.238 140 D C 0.494 176.827 176.300 0.056 0.000 1.157 140 D CA 0.399 54.430 54.000 0.051 0.000 0.889 140 D CB 0.244 41.068 40.800 0.040 0.000 1.199 140 D HN 0.286 nan 8.370 nan 0.000 0.436 141 N N -0.154 118.578 118.700 0.053 0.000 2.441 141 N HA 0.304 5.045 4.740 0.001 0.000 0.251 141 N C 1.167 176.708 175.510 0.052 0.000 1.242 141 N CA 0.692 53.774 53.050 0.053 0.000 0.898 141 N CB 0.787 39.303 38.487 0.048 0.000 1.100 141 N HN 0.635 nan 8.380 nan 0.000 0.443 142 G N 0.647 109.478 108.800 0.052 0.000 2.138 142 G HA2 -0.236 3.724 3.960 0.001 0.000 0.193 142 G HA3 -0.236 3.724 3.960 0.001 0.000 0.193 142 G C 0.926 175.875 174.900 0.082 0.000 0.998 142 G CA -0.091 45.047 45.100 0.062 0.000 0.668 142 G HN 0.544 nan 8.290 nan 0.000 0.516 143 R N -0.899 119.642 120.500 0.069 0.000 2.254 143 R HA 0.370 4.710 4.340 0.001 0.000 0.195 143 R C 1.146 177.544 176.300 0.164 0.000 0.957 143 R CA 0.202 56.369 56.100 0.112 0.000 1.024 143 R CB 0.033 30.376 30.300 0.072 0.000 0.952 143 R HN 0.318 nan 8.270 nan 0.000 0.484 144 L N 2.297 123.518 121.223 -0.004 0.000 2.395 144 L HA 0.327 4.668 4.340 0.001 0.000 0.269 144 L C -1.905 174.810 176.870 -0.258 0.000 1.133 144 L CA -2.179 52.543 54.840 -0.197 0.000 0.812 144 L CB 0.588 42.431 42.059 -0.361 0.000 1.125 144 L HN 0.017 nan 8.230 nan 0.000 0.452 145 P HA 0.143 nan 4.420 nan 0.000 0.274 145 P C -0.956 176.342 177.300 -0.003 0.000 1.231 145 P CA -0.507 62.316 63.100 -0.463 0.000 0.790 145 P CB 1.103 32.305 31.700 -0.830 0.000 0.951 146 D N 0.519 121.003 120.400 0.139 0.000 2.253 146 D HA 0.293 4.933 4.640 0.001 0.000 0.249 146 D C 0.877 177.231 176.300 0.090 0.000 1.049 146 D CA -0.435 53.606 54.000 0.069 0.000 0.929 146 D CB 1.498 42.256 40.800 -0.069 0.000 1.176 146 D HN 0.352 nan 8.370 nan 0.000 0.437 147 A N 1.126 124.015 122.820 0.115 0.000 2.195 147 A HA -0.050 4.271 4.320 0.001 0.000 0.210 147 A C 0.828 178.446 177.584 0.056 0.000 1.165 147 A CA 0.188 52.263 52.037 0.063 0.000 0.806 147 A CB -0.016 18.916 19.000 -0.112 0.000 0.847 147 A HN 0.482 nan 8.150 nan 0.000 0.482 148 D N -0.220 120.237 120.400 0.094 0.000 2.434 148 D HA 0.122 4.763 4.640 0.001 0.000 0.232 148 D C 0.277 176.599 176.300 0.038 0.000 1.166 148 D CA 0.016 54.078 54.000 0.104 0.000 0.830 148 D CB 0.122 41.002 40.800 0.133 0.000 0.960 148 D HN 0.097 nan 8.370 nan 0.000 0.497 149 K N 0.519 120.922 120.400 0.005 0.000 2.354 149 K HA 0.311 4.632 4.320 0.001 0.000 0.238 149 K C 0.343 177.029 176.600 0.143 0.000 1.068 149 K CA -0.629 55.653 56.287 -0.009 0.000 0.925 149 K CB 0.982 33.302 32.500 -0.301 0.000 1.286 149 K HN 0.171 nan 8.250 nan 0.000 0.500 150 D N -1.222 119.288 120.400 0.183 0.000 2.529 150 D HA 0.231 4.871 4.640 0.001 0.000 0.273 150 D C 0.738 177.212 176.300 0.291 0.000 1.197 150 D CA -0.519 53.614 54.000 0.223 0.000 1.070 150 D CB 0.822 41.732 40.800 0.183 0.000 1.134 150 D HN 0.333 nan 8.370 nan 0.000 0.590 151 A N -0.141 122.840 122.820 0.268 0.000 2.024 151 A HA -0.018 4.303 4.320 0.001 0.000 0.220 151 A C 2.056 179.826 177.584 0.309 0.000 1.164 151 A CA 2.117 54.359 52.037 0.343 0.000 0.643 151 A CB -1.367 17.796 19.000 0.272 0.000 0.806 151 A HN 0.706 nan 8.150 nan 0.000 0.451 152 G N -1.606 107.335 108.800 0.235 0.000 2.421 152 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 152 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 152 G C 1.551 176.613 174.900 0.270 0.000 1.171 152 G CA 1.229 46.450 45.100 0.201 0.000 0.775 152 G HN 0.603 nan 8.290 nan 0.000 0.543 153 Y N 1.212 121.629 120.300 0.194 0.000 2.200 153 Y HA -0.091 4.460 4.550 0.001 0.000 0.290 153 Y C 2.805 178.891 175.900 0.310 0.000 1.137 153 Y CA 1.543 59.774 58.100 0.219 0.000 1.163 153 Y CB -0.209 38.361 38.460 0.183 0.000 0.988 153 Y HN 0.030 nan 8.280 nan 0.000 0.518 154 V N 0.792 120.961 119.914 0.424 0.000 2.407 154 V HA -0.287 3.834 4.120 0.001 0.000 0.248 154 V C 2.450 178.859 176.094 0.524 0.000 1.055 154 V CA 2.278 64.857 62.300 0.465 0.000 1.049 154 V CB -0.742 31.348 31.823 0.445 0.000 0.662 154 V HN 0.334 nan 8.190 nan 0.000 0.455 155 R N -0.084 120.677 120.500 0.436 0.000 2.073 155 R HA -0.118 4.222 4.340 0.001 0.000 0.229 155 R C 2.378 178.820 176.300 0.237 0.000 1.120 155 R CA 1.903 58.214 56.100 0.351 0.000 0.967 155 R CB -0.453 29.946 30.300 0.166 0.000 0.862 155 R HN 0.498 nan 8.270 nan 0.000 0.436 156 T N 0.630 115.280 114.554 0.161 0.000 2.777 156 T HA -0.130 4.221 4.350 0.001 0.000 0.266 156 T C 1.278 175.980 174.700 0.002 0.000 1.040 156 T CA 1.349 63.493 62.100 0.075 0.000 1.141 156 T CB -0.362 68.547 68.868 0.069 0.000 0.868 156 T HN 0.218 nan 8.240 nan 0.000 0.444 157 F N 1.435 121.279 119.950 -0.178 0.000 2.069 157 F HA -0.087 4.440 4.527 0.000 0.000 0.298 157 F C 1.605 177.291 175.800 -0.189 0.000 1.113 157 F CA 1.191 59.005 58.000 -0.310 0.000 1.214 157 F CB -0.601 38.063 39.000 -0.560 0.000 0.978 157 F HN 0.104 nan 8.300 nan 0.000 0.474 158 F N 0.656 120.592 119.950 -0.023 0.000 2.546 158 F HA -0.113 4.414 4.527 0.001 0.000 0.298 158 F C 2.309 178.079 175.800 -0.050 0.000 1.120 158 F CA 1.012 59.005 58.000 -0.012 0.000 1.456 158 F CB -0.713 38.385 39.000 0.164 0.000 1.088 158 F HN 0.136 nan 8.300 nan 0.000 0.572 159 Q N -0.515 119.316 119.800 0.052 0.000 2.245 159 Q HA -0.111 4.230 4.340 0.001 0.000 0.201 159 Q C 2.244 178.187 176.000 -0.096 0.000 0.955 159 Q CA 0.546 56.359 55.803 0.017 0.000 0.870 159 Q CB -0.138 28.610 28.738 0.016 0.000 0.945 159 Q HN 0.319 nan 8.270 nan 0.000 0.461 160 R N 0.477 120.840 120.500 -0.228 0.000 2.237 160 R HA -0.034 4.306 4.340 0.001 0.000 0.219 160 R C 1.060 177.189 176.300 -0.285 0.000 1.080 160 R CA 0.687 56.581 56.100 -0.343 0.000 0.995 160 R CB 0.211 30.252 30.300 -0.431 0.000 0.875 160 R HN 0.250 nan 8.270 nan 0.000 0.462 161 L N -0.593 120.586 121.223 -0.073 0.000 2.808 161 L HA 0.214 4.554 4.340 0.001 0.000 0.246 161 L C -0.173 176.900 176.870 0.338 0.000 1.153 161 L CA -0.091 54.908 54.840 0.264 0.000 0.956 161 L CB 0.127 42.351 42.059 0.275 0.000 1.270 161 L HN 0.191 nan 8.230 nan 0.000 0.528 162 N N -0.043 118.765 118.700 0.180 0.000 2.741 162 N HA -0.160 4.581 4.740 0.001 0.000 0.250 162 N C -0.145 175.461 175.510 0.160 0.000 1.115 162 N CA 0.315 53.459 53.050 0.157 0.000 0.724 162 N CB -0.348 38.258 38.487 0.197 0.000 1.090 162 N HN 0.142 nan 8.380 nan 0.000 0.558 163 M N 1.141 120.862 119.600 0.203 0.000 2.188 163 M HA 0.226 4.706 4.480 0.001 0.000 0.357 163 M C 0.620 177.012 176.300 0.152 0.000 1.204 163 M CA -0.337 55.076 55.300 0.188 0.000 1.095 163 M CB 0.678 33.443 32.600 0.275 0.000 1.604 163 M HN 0.190 nan 8.290 nan 0.000 0.464 164 N N 1.285 120.049 118.700 0.106 0.000 2.447 164 N HA 0.246 4.987 4.740 0.001 0.000 0.271 164 N C 0.164 175.745 175.510 0.118 0.000 1.226 164 N CA -0.512 52.598 53.050 0.100 0.000 0.980 164 N CB 0.534 39.065 38.487 0.072 0.000 1.206 164 N HN 0.361 nan 8.380 nan 0.000 0.558 165 D N -0.635 119.850 120.400 0.143 0.000 2.158 165 D HA -0.201 4.439 4.640 0.001 0.000 0.197 165 D C 1.591 178.008 176.300 0.194 0.000 0.995 165 D CA 1.266 55.416 54.000 0.250 0.000 0.846 165 D CB -0.111 40.789 40.800 0.167 0.000 0.941 165 D HN 0.650 nan 8.370 nan 0.000 0.456 166 R N 0.697 121.269 120.500 0.121 0.000 2.090 166 R HA -0.067 4.273 4.340 0.001 0.000 0.228 166 R C 1.893 178.288 176.300 0.157 0.000 1.110 166 R CA 1.018 57.193 56.100 0.125 0.000 0.973 166 R CB 0.168 30.528 30.300 0.099 0.000 0.869 166 R HN 0.165 nan 8.270 nan 0.000 0.440 167 E N -0.121 120.133 120.200 0.089 0.000 2.107 167 E HA -0.144 4.206 4.350 0.001 0.000 0.191 167 E C 2.008 178.567 176.600 -0.068 0.000 0.982 167 E CA 1.275 57.698 56.400 0.038 0.000 0.809 167 E CB 0.026 29.744 29.700 0.029 0.000 0.756 167 E HN 0.296 nan 8.360 nan 0.000 0.459 168 V N -0.218 119.591 119.914 -0.175 0.000 2.358 168 V HA -0.173 3.948 4.120 0.001 0.000 0.246 168 V C 2.091 177.968 176.094 -0.361 0.000 1.047 168 V CA 1.432 63.418 62.300 -0.524 0.000 1.035 168 V CB -0.344 31.033 31.823 -0.744 0.000 0.658 168 V HN 0.072 nan 8.190 nan 0.000 0.452 169 V N 1.095 120.928 119.914 -0.134 0.000 2.515 169 V HA -0.110 4.010 4.120 0.001 0.000 0.250 169 V C 3.098 179.388 176.094 0.327 0.000 1.058 169 V CA 2.036 64.365 62.300 0.048 0.000 1.064 169 V CB -1.262 30.626 31.823 0.109 0.000 0.675 169 V HN 0.711 nan 8.190 nan 0.000 0.461 170 A N -0.360 122.676 122.820 0.360 0.000 1.898 170 A HA -0.089 4.231 4.320 0.001 0.000 0.216 170 A C 2.189 180.040 177.584 0.445 0.000 1.181 170 A CA 1.447 53.738 52.037 0.423 0.000 0.620 170 A CB -0.431 18.721 19.000 0.254 0.000 0.819 170 A HN 0.489 nan 8.150 nan 0.000 0.442 171 L N -1.826 119.465 121.223 0.113 0.000 2.141 171 L HA -0.103 4.238 4.340 0.001 0.000 0.209 171 L C 2.567 179.297 176.870 -0.233 0.000 1.094 171 L CA 1.127 55.961 54.840 -0.010 0.000 0.763 171 L CB -0.278 41.629 42.059 -0.253 0.000 0.908 171 L HN 0.353 nan 8.230 nan 0.000 0.437 172 M N -0.338 119.021 119.600 -0.402 0.000 2.557 172 M HA -0.009 4.471 4.480 0.001 0.000 0.259 172 M C 1.814 177.359 176.300 -1.257 0.000 1.086 172 M CA 0.800 55.611 55.300 -0.815 0.000 1.096 172 M CB -0.380 31.876 32.600 -0.573 0.000 1.424 172 M HN 0.119 nan 8.290 nan 0.000 0.488 173 G N -1.229 107.155 108.800 -0.693 0.000 2.744 173 G HA2 0.079 4.039 3.960 0.001 0.000 0.211 173 G HA3 0.079 4.039 3.960 0.001 0.000 0.211 173 G C 1.415 175.816 174.900 -0.833 0.000 1.143 173 G CA 0.594 45.146 45.100 -0.914 0.000 0.788 173 G HN 0.550 nan 8.290 nan 0.000 0.534 174 A N -0.083 122.332 122.820 -0.675 0.000 2.168 174 A HA 0.056 4.377 4.320 0.001 0.000 0.215 174 A C 1.667 178.902 177.584 -0.583 0.000 1.152 174 A CA 0.570 52.294 52.037 -0.522 0.000 0.716 174 A CB -0.617 18.215 19.000 -0.280 0.000 0.794 174 A HN 0.592 nan 8.150 nan 0.000 0.465 175 H N -1.022 117.360 119.070 -1.147 0.000 2.563 175 H HA 0.170 4.726 4.556 0.001 0.000 0.272 175 H C 2.000 176.736 175.328 -0.986 0.000 1.005 175 H CA 0.096 55.221 56.048 -1.538 0.000 1.171 175 H CB 0.227 28.572 29.762 -2.361 0.000 1.351 175 H HN 0.587 nan 8.280 nan 0.000 0.602 176 A N 0.705 123.187 122.820 -0.564 0.000 2.167 176 A HA 0.072 4.392 4.320 0.001 0.000 0.214 176 A C 0.790 178.282 177.584 -0.153 0.000 1.151 176 A CA 0.217 52.078 52.037 -0.293 0.000 0.735 176 A CB 0.037 18.792 19.000 -0.409 0.000 0.802 176 A HN 0.186 nan 8.150 nan 0.000 0.467 177 L N -0.732 120.393 121.223 -0.163 0.000 2.309 177 L HA 0.605 4.946 4.340 0.001 0.000 0.282 177 L C 1.132 178.074 176.870 0.120 0.000 1.036 177 L CA -0.013 54.825 54.840 -0.004 0.000 0.806 177 L CB 1.052 43.123 42.059 0.021 0.000 1.220 177 L HN 0.511 nan 8.230 nan 0.000 0.429 178 G N 2.902 111.795 108.800 0.155 0.000 2.562 178 G HA2 -0.219 3.741 3.960 0.001 0.000 0.250 178 G HA3 -0.219 3.741 3.960 0.001 0.000 0.250 178 G C -0.717 174.316 174.900 0.223 0.000 1.269 178 G CA 0.283 45.499 45.100 0.194 0.000 0.919 178 G HN 0.962 nan 8.290 nan 0.000 0.574 179 K N -2.020 118.447 120.400 0.110 0.000 2.578 179 K HA 0.694 5.015 4.320 0.001 0.000 0.287 179 K C -0.672 175.594 176.600 -0.557 0.000 1.010 179 K CA -0.327 55.804 56.287 -0.259 0.000 0.889 179 K CB 1.192 33.514 32.500 -0.297 0.000 1.514 179 K HN 1.293 nan 8.250 nan 0.000 0.424 180 T N -0.602 113.494 114.554 -0.764 0.000 2.799 180 T HA 0.439 4.789 4.350 0.001 0.000 0.286 180 T C -0.773 173.557 174.700 -0.616 0.000 0.973 180 T CA -0.634 61.123 62.100 -0.572 0.000 1.035 180 T CB 0.332 68.941 68.868 -0.432 0.000 0.932 180 T HN 0.583 nan 8.240 nan 0.000 0.469 181 H N 1.866 120.917 119.070 -0.032 0.000 2.481 181 H HA 0.419 4.976 4.556 0.001 0.000 0.333 181 H C 0.914 176.234 175.328 -0.013 0.000 1.066 181 H CA -1.010 55.020 56.048 -0.031 0.000 1.209 181 H CB 1.692 31.438 29.762 -0.027 0.000 1.445 181 H HN 0.521 nan 8.280 nan 0.000 0.488 182 L N 1.922 123.174 121.223 0.049 0.000 2.079 182 L HA -0.164 4.176 4.340 0.001 0.000 0.210 182 L C 1.829 178.704 176.870 0.009 0.000 1.081 182 L CA 1.573 56.411 54.840 -0.002 0.000 0.752 182 L CB -0.070 41.971 42.059 -0.030 0.000 0.896 182 L HN 0.511 nan 8.230 nan 0.000 0.433 183 K N -0.327 120.096 120.400 0.038 0.000 2.362 183 K HA -0.052 4.268 4.320 0.001 0.000 0.200 183 K C 1.345 177.965 176.600 0.033 0.000 1.046 183 K CA 0.731 57.032 56.287 0.024 0.000 0.952 183 K CB -0.155 32.356 32.500 0.019 0.000 0.753 183 K HN 0.503 nan 8.250 nan 0.000 0.466 184 N N -0.360 118.383 118.700 0.071 0.000 2.517 184 N HA -0.061 4.679 4.740 0.001 0.000 0.202 184 N C 1.771 177.334 175.510 0.088 0.000 1.042 184 N CA 1.328 54.425 53.050 0.079 0.000 0.952 184 N CB -0.343 38.219 38.487 0.124 0.000 1.211 184 N HN 0.079 nan 8.380 nan 0.000 0.458 185 S N -1.046 114.730 115.700 0.126 0.000 2.470 185 S HA 0.315 4.785 4.470 0.001 0.000 0.222 185 S C 1.371 176.005 174.600 0.057 0.000 1.024 185 S CA 0.586 58.888 58.200 0.169 0.000 0.931 185 S CB 0.448 63.829 63.200 0.302 0.000 0.791 185 S HN 0.501 nan 8.310 nan 0.000 0.513 186 G N 0.095 108.855 108.800 -0.066 0.000 2.130 186 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 186 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 186 G C -0.343 174.186 174.900 -0.618 0.000 0.999 186 G CA -0.023 44.898 45.100 -0.299 0.000 0.686 186 G HN 0.545 nan 8.290 nan 0.000 0.515 187 Y N -0.947 119.327 120.300 -0.044 0.000 2.524 187 Y HA 0.673 5.224 4.550 0.001 0.000 0.347 187 Y C -0.073 175.743 175.900 -0.140 0.000 1.005 187 Y CA -1.136 56.910 58.100 -0.091 0.000 1.025 187 Y CB 2.322 40.721 38.460 -0.102 0.000 1.275 187 Y HN 0.131 nan 8.280 nan 0.000 0.460 188 E N 1.210 121.405 120.200 -0.008 0.000 2.246 188 E HA 0.716 5.067 4.350 0.001 0.000 0.266 188 E C -0.521 175.991 176.600 -0.146 0.000 0.880 188 E CA -0.215 56.127 56.400 -0.096 0.000 0.762 188 E CB 1.769 31.428 29.700 -0.067 0.000 1.180 188 E HN 0.924 nan 8.360 nan 0.000 0.416 189 G N 3.897 112.558 108.800 -0.232 0.000 2.406 189 G HA2 0.047 4.008 3.960 0.001 0.000 0.680 189 G HA3 0.047 4.008 3.960 0.001 0.000 0.680 189 G C -3.036 171.645 174.900 -0.365 0.000 1.338 189 G CA -0.557 44.411 45.100 -0.220 0.000 0.941 189 G HN 0.466 nan 8.290 nan 0.000 0.633 190 P HA 0.329 nan 4.420 nan 0.000 0.278 190 P C 0.324 177.576 177.300 -0.081 0.000 1.266 190 P CA -0.532 62.481 63.100 -0.145 0.000 0.807 190 P CB 1.134 32.850 31.700 0.027 0.000 1.094 191 W N -0.085 121.209 121.300 -0.010 0.000 2.762 191 W HA 0.216 4.876 4.660 0.001 0.000 0.265 191 W C 0.982 177.392 176.519 -0.182 0.000 1.263 191 W CA 0.586 57.945 57.345 0.023 0.000 1.411 191 W CB 0.416 29.918 29.460 0.070 0.000 1.065 191 W HN 0.451 nan 8.180 nan 0.000 0.609 192 G N -1.304 107.438 108.800 -0.096 0.000 2.921 192 G HA2 0.466 4.427 3.960 0.001 0.000 0.291 192 G HA3 0.466 4.427 3.960 0.001 0.000 0.291 192 G C 0.195 174.831 174.900 -0.440 0.000 1.370 192 G CA 0.155 44.917 45.100 -0.564 0.000 0.847 192 G HN -0.114 nan 8.290 nan 0.000 0.532 193 A N -0.960 121.653 122.820 -0.345 0.000 1.911 193 A HA 0.587 4.907 4.320 0.001 0.000 0.212 193 A C 1.681 179.273 177.584 0.013 0.000 1.189 193 A CA 1.742 53.771 52.037 -0.014 0.000 0.639 193 A CB -0.352 18.700 19.000 0.087 0.000 0.839 193 A HN 1.698 nan 8.150 nan 0.000 0.449 194 A N 1.308 124.120 122.820 -0.013 0.000 3.000 194 A HA 0.387 4.707 4.320 0.001 0.000 0.315 194 A C 0.239 177.833 177.584 0.017 0.000 1.434 194 A CA -0.257 51.790 52.037 0.018 0.000 1.108 194 A CB -1.293 17.721 19.000 0.023 0.000 1.171 194 A HN 0.685 nan 8.150 nan 0.000 0.524 195 N N 0.792 119.513 118.700 0.034 0.000 2.421 195 N HA -0.053 4.688 4.740 0.001 0.000 0.201 195 N C 0.402 175.950 175.510 0.064 0.000 1.198 195 N CA 0.327 53.408 53.050 0.051 0.000 0.838 195 N CB -0.078 38.456 38.487 0.079 0.000 1.011 195 N HN 0.761 nan 8.380 nan 0.000 0.463 196 N N -0.562 118.177 118.700 0.066 0.000 2.307 196 N HA 0.090 4.831 4.740 0.001 0.000 0.248 196 N C -1.176 174.389 175.510 0.092 0.000 1.322 196 N CA -0.354 52.744 53.050 0.080 0.000 0.861 196 N CB 0.875 39.411 38.487 0.082 0.000 1.303 196 N HN -0.073 nan 8.380 nan 0.000 0.498 197 V N 1.755 121.722 119.914 0.089 0.000 2.524 197 V HA 0.320 4.441 4.120 0.001 0.000 0.297 197 V C -1.019 175.153 176.094 0.130 0.000 1.035 197 V CA -0.726 61.645 62.300 0.118 0.000 0.867 197 V CB 1.551 33.433 31.823 0.098 0.000 1.004 197 V HN 0.186 nan 8.190 nan 0.000 0.426 198 F N 5.744 125.714 119.950 0.034 0.000 2.487 198 F HA 0.491 5.018 4.527 0.001 0.000 0.364 198 F C 0.899 176.837 175.800 0.231 0.000 1.126 198 F CA 0.627 58.644 58.000 0.028 0.000 1.135 198 F CB 0.375 39.300 39.000 -0.126 0.000 1.127 198 F HN 0.713 nan 8.300 nan 0.000 0.559 199 T N 1.093 115.622 114.554 -0.043 0.000 2.696 199 T HA 0.247 4.597 4.350 0.001 0.000 0.291 199 T C 0.243 174.940 174.700 -0.004 0.000 1.095 199 T CA -0.821 61.357 62.100 0.130 0.000 1.026 199 T CB 1.257 70.158 68.868 0.054 0.000 1.390 199 T HN 0.413 nan 8.240 nan 0.000 0.513 200 N N -0.417 118.291 118.700 0.013 0.000 2.313 200 N HA 0.028 4.769 4.740 0.001 0.000 0.207 200 N C 0.930 176.402 175.510 -0.064 0.000 1.141 200 N CA 0.022 53.009 53.050 -0.106 0.000 0.830 200 N CB -0.052 38.426 38.487 -0.016 0.000 1.008 200 N HN 0.877 nan 8.380 nan 0.000 0.481 201 E N 0.211 120.349 120.200 -0.102 0.000 2.171 201 E HA -0.257 4.093 4.350 0.001 0.000 0.197 201 E C 1.174 177.705 176.600 -0.115 0.000 0.997 201 E CA 0.913 57.259 56.400 -0.091 0.000 0.810 201 E CB -0.251 29.387 29.700 -0.103 0.000 0.738 201 E HN 0.377 nan 8.360 nan 0.000 0.467 202 F N 0.424 120.128 119.950 -0.410 0.000 2.065 202 F HA -0.285 4.242 4.527 0.001 0.000 0.298 202 F C 1.603 177.145 175.800 -0.431 0.000 1.112 202 F CA 1.968 59.653 58.000 -0.525 0.000 1.212 202 F CB -0.576 37.879 39.000 -0.908 0.000 0.975 202 F HN 0.099 nan 8.300 nan 0.000 0.476 203 Y N -0.052 120.092 120.300 -0.261 0.000 2.263 203 Y HA -0.111 4.439 4.550 0.001 0.000 0.292 203 Y C 2.386 178.176 175.900 -0.182 0.000 1.130 203 Y CA 1.168 59.100 58.100 -0.280 0.000 1.179 203 Y CB -0.964 37.403 38.460 -0.154 0.000 0.998 203 Y HN 0.071 nan 8.280 nan 0.000 0.532 204 L N -0.170 121.073 121.223 0.034 0.000 2.017 204 L HA -0.233 4.108 4.340 0.001 0.000 0.208 204 L C 2.020 178.916 176.870 0.043 0.000 1.073 204 L CA 1.253 56.111 54.840 0.029 0.000 0.745 204 L CB -0.507 41.564 42.059 0.020 0.000 0.894 204 L HN 0.224 nan 8.230 nan 0.000 0.432 205 N N -0.090 118.634 118.700 0.040 0.000 2.120 205 N HA -0.175 4.565 4.740 0.001 0.000 0.188 205 N C 1.691 177.442 175.510 0.401 0.000 1.024 205 N CA 0.980 54.142 53.050 0.187 0.000 0.852 205 N CB -0.380 38.221 38.487 0.190 0.000 1.003 205 N HN 0.097 nan 8.380 nan 0.000 0.424 206 L N 0.735 122.045 121.223 0.145 0.000 2.083 206 L HA 0.022 4.362 4.340 0.001 0.000 0.209 206 L C 1.795 178.774 176.870 0.181 0.000 1.083 206 L CA 1.343 56.214 54.840 0.051 0.000 0.752 206 L CB -0.485 41.304 42.059 -0.451 0.000 0.899 206 L HN 0.173 nan 8.230 nan 0.000 0.433 207 L N -1.620 119.659 121.223 0.092 0.000 2.307 207 L HA -0.016 4.325 4.340 0.001 0.000 0.211 207 L C 1.527 178.447 176.870 0.083 0.000 1.099 207 L CA 0.779 55.655 54.840 0.060 0.000 0.816 207 L CB -0.178 41.889 42.059 0.012 0.000 0.952 207 L HN 0.359 nan 8.230 nan 0.000 0.455 208 N N -1.629 117.126 118.700 0.092 0.000 2.294 208 N HA 0.016 4.756 4.740 0.001 0.000 0.186 208 N C 0.039 175.527 175.510 -0.036 0.000 1.107 208 N CA -0.157 52.913 53.050 0.033 0.000 0.884 208 N CB 0.654 39.154 38.487 0.022 0.000 1.030 208 N HN 0.123 nan 8.380 nan 0.000 0.482 209 E N 1.103 121.235 120.200 -0.113 0.000 2.314 209 E HA 0.065 4.415 4.350 0.001 0.000 0.262 209 E C -0.849 175.432 176.600 -0.532 0.000 1.093 209 E CA -0.173 55.960 56.400 -0.445 0.000 0.908 209 E CB 0.842 30.002 29.700 -0.901 0.000 1.091 209 E HN 0.059 nan 8.360 nan 0.000 0.425 210 D N 1.035 121.164 120.400 -0.451 0.000 2.411 210 D HA 0.140 4.780 4.640 0.001 0.000 0.225 210 D C -1.083 175.057 176.300 -0.266 0.000 1.156 210 D CA -0.356 53.505 54.000 -0.232 0.000 0.874 210 D CB 0.162 40.893 40.800 -0.116 0.000 1.034 210 D HN 0.177 nan 8.370 nan 0.000 0.502 211 W N 3.777 125.188 121.300 0.184 0.000 2.316 211 W HA 0.389 5.050 4.660 0.001 0.000 0.311 211 W C 0.409 177.138 176.519 0.351 0.000 1.217 211 W CA -0.981 56.536 57.345 0.286 0.000 1.199 211 W CB 0.926 30.602 29.460 0.360 0.000 1.202 211 W HN 0.160 nan 8.180 nan 0.000 0.528 212 K N 3.007 123.699 120.400 0.486 0.000 2.426 212 K HA 0.442 4.762 4.320 0.001 0.000 0.254 212 K C -1.398 175.162 176.600 -0.066 0.000 0.936 212 K CA -0.909 55.500 56.287 0.204 0.000 0.801 212 K CB 1.091 33.636 32.500 0.075 0.000 1.139 212 K HN 0.432 nan 8.250 nan 0.000 0.424 213 L N 4.192 125.107 121.223 -0.514 0.000 2.433 213 L HA 0.250 4.591 4.340 0.001 0.000 0.275 213 L C -0.903 175.705 176.870 -0.437 0.000 1.128 213 L CA 1.111 55.394 54.840 -0.927 0.000 0.875 213 L CB 0.016 41.327 42.059 -1.247 0.000 1.171 213 L HN 0.691 nan 8.230 nan 0.000 0.463 214 E N 4.436 124.429 120.200 -0.345 0.000 2.343 214 E HA 0.365 4.715 4.350 0.001 0.000 0.270 214 E C -1.322 175.174 176.600 -0.173 0.000 0.895 214 E CA -1.112 55.170 56.400 -0.196 0.000 0.767 214 E CB 2.342 31.971 29.700 -0.118 0.000 1.248 214 E HN 0.403 nan 8.360 nan 0.000 0.440 215 K N 2.241 122.563 120.400 -0.129 0.000 2.206 215 K HA 0.218 4.538 4.320 0.001 0.000 0.264 215 K C -0.503 176.043 176.600 -0.090 0.000 0.967 215 K CA -0.460 55.762 56.287 -0.109 0.000 0.844 215 K CB 0.703 33.143 32.500 -0.099 0.000 1.099 215 K HN 0.515 nan 8.250 nan 0.000 0.441 216 N N 1.930 120.573 118.700 -0.095 0.000 2.495 216 N HA 0.093 4.834 4.740 0.001 0.000 0.294 216 N C -0.013 175.442 175.510 -0.092 0.000 1.276 216 N CA -0.389 52.606 53.050 -0.091 0.000 0.973 216 N CB 0.366 38.793 38.487 -0.100 0.000 1.143 216 N HN 0.421 nan 8.380 nan 0.000 0.589 217 D N -1.483 118.866 120.400 -0.084 0.000 2.363 217 D HA 0.048 4.688 4.640 0.001 0.000 0.220 217 D C 0.755 177.005 176.300 -0.085 0.000 0.994 217 D CA 0.590 54.546 54.000 -0.073 0.000 0.890 217 D CB -0.230 40.535 40.800 -0.058 0.000 0.906 217 D HN 0.647 nan 8.370 nan 0.000 0.530 218 A N 0.468 123.217 122.820 -0.118 0.000 2.308 218 A HA 0.050 4.371 4.320 0.001 0.000 0.217 218 A C 0.610 178.111 177.584 -0.139 0.000 1.216 218 A CA -0.140 51.815 52.037 -0.136 0.000 0.864 218 A CB 0.091 18.973 19.000 -0.196 0.000 0.902 218 A HN 0.022 nan 8.150 nan 0.000 0.499 219 N N -0.453 118.172 118.700 -0.125 0.000 2.829 219 N HA -0.148 4.592 4.740 0.001 0.000 0.250 219 N C -0.861 174.578 175.510 -0.119 0.000 1.090 219 N CA 1.209 54.196 53.050 -0.105 0.000 0.781 219 N CB -2.007 36.434 38.487 -0.077 0.000 1.124 219 N HN 0.747 nan 8.380 nan 0.000 0.559 220 N N 0.671 119.266 118.700 -0.175 0.000 2.466 220 N HA 0.333 5.073 4.740 0.001 0.000 0.294 220 N C -0.456 174.999 175.510 -0.090 0.000 1.129 220 N CA -0.504 52.444 53.050 -0.169 0.000 0.931 220 N CB 1.372 39.599 38.487 -0.435 0.000 1.193 220 N HN 0.067 nan 8.380 nan 0.000 0.500 221 E N 1.102 121.293 120.200 -0.015 0.000 2.249 221 E HA 0.188 4.538 4.350 0.001 0.000 0.280 221 E C -0.697 175.912 176.600 0.015 0.000 1.016 221 E CA -0.497 55.864 56.400 -0.065 0.000 0.830 221 E CB 1.079 30.698 29.700 -0.136 0.000 1.081 221 E HN 0.494 nan 8.360 nan 0.000 0.395 222 Q N 1.511 121.251 119.800 -0.100 0.000 2.416 222 Q HA 0.382 4.722 4.340 0.001 0.000 0.281 222 Q C -1.488 174.369 176.000 -0.240 0.000 1.067 222 Q CA -1.026 54.748 55.803 -0.048 0.000 0.809 222 Q CB 1.052 29.869 28.738 0.130 0.000 1.418 222 Q HN 0.409 nan 8.270 nan 0.000 0.411 223 W N 2.015 123.279 121.300 -0.059 0.000 2.335 223 W HA 0.371 5.032 4.660 0.001 0.000 0.306 223 W C -0.552 176.102 176.519 0.226 0.000 1.216 223 W CA 0.183 57.519 57.345 -0.015 0.000 1.237 223 W CB 0.956 30.267 29.460 -0.248 0.000 1.243 223 W HN 0.449 nan 8.180 nan 0.000 0.493 224 D N 1.637 122.274 120.400 0.396 0.000 2.342 224 D HA 0.295 4.935 4.640 0.001 0.000 0.243 224 D C -0.712 175.746 176.300 0.262 0.000 1.019 224 D CA -0.578 53.627 54.000 0.341 0.000 0.864 224 D CB 2.309 43.175 40.800 0.110 0.000 1.315 224 D HN 0.152 nan 8.370 nan 0.000 0.468 225 S N -0.033 115.702 115.700 0.058 0.000 2.549 225 S HA 0.209 4.679 4.470 0.001 0.000 0.297 225 S C 0.644 175.112 174.600 -0.220 0.000 1.115 225 S CA -0.815 57.210 58.200 -0.292 0.000 1.059 225 S CB 0.880 63.710 63.200 -0.617 0.000 1.046 225 S HN 0.410 nan 8.310 nan 0.000 0.506 226 K N 1.687 121.946 120.400 -0.235 0.000 2.504 226 K HA 0.203 4.524 4.320 0.001 0.000 0.199 226 K C 0.769 177.216 176.600 -0.256 0.000 1.028 226 K CA 0.086 56.258 56.287 -0.191 0.000 1.164 226 K CB 0.077 32.493 32.500 -0.140 0.000 0.877 226 K HN 0.296 nan 8.250 nan 0.000 0.508 227 S N 0.233 115.688 115.700 -0.408 0.000 2.539 227 S HA 0.218 4.688 4.470 0.001 0.000 0.221 227 S C 0.962 175.130 174.600 -0.719 0.000 0.987 227 S CA 0.390 58.239 58.200 -0.584 0.000 0.929 227 S CB 0.160 62.880 63.200 -0.800 0.000 0.832 227 S HN 0.733 nan 8.310 nan 0.000 0.492 228 G N 0.860 109.390 108.800 -0.451 0.000 2.132 228 G HA2 -0.203 3.757 3.960 0.001 0.000 0.228 228 G HA3 -0.203 3.757 3.960 0.001 0.000 0.228 228 G C -0.361 174.523 174.900 -0.027 0.000 1.000 228 G CA 0.196 45.162 45.100 -0.224 0.000 0.693 228 G HN 0.445 nan 8.290 nan 0.000 0.515 229 Y N -0.817 119.498 120.300 0.025 0.000 2.587 229 Y HA 0.879 5.430 4.550 0.001 0.000 0.337 229 Y C 0.380 176.429 175.900 0.248 0.000 1.065 229 Y CA -1.685 56.487 58.100 0.119 0.000 1.126 229 Y CB 1.509 40.095 38.460 0.209 0.000 1.279 229 Y HN 0.455 nan 8.280 nan 0.000 0.489 230 M N 1.040 120.877 119.600 0.395 0.000 2.631 230 M HA 0.868 5.348 4.480 0.001 0.000 0.288 230 M C -1.793 174.541 176.300 0.056 0.000 1.260 230 M CA -0.863 54.611 55.300 0.289 0.000 0.842 230 M CB 2.595 35.213 32.600 0.030 0.000 1.743 230 M HN 0.454 nan 8.290 nan 0.000 0.461 231 M N 1.944 121.523 119.600 -0.034 0.000 2.324 231 M HA 0.626 5.106 4.480 0.001 0.000 0.288 231 M C -1.709 174.635 176.300 0.073 0.000 1.097 231 M CA -0.392 54.870 55.300 -0.065 0.000 0.928 231 M CB 2.461 34.726 32.600 -0.559 0.000 1.648 231 M HN 0.838 nan 8.290 nan 0.000 0.460 232 L N 5.189 126.495 121.223 0.138 0.000 2.467 232 L HA 0.224 4.565 4.340 0.001 0.000 0.270 232 L C -1.439 175.533 176.870 0.170 0.000 1.205 232 L CA -1.401 53.450 54.840 0.019 0.000 0.828 232 L CB 0.277 42.333 42.059 -0.006 0.000 1.101 232 L HN 0.559 nan 8.230 nan 0.000 0.479 233 P HA -0.148 nan 4.420 nan 0.000 0.219 233 P C 1.301 178.743 177.300 0.237 0.000 1.146 233 P CA 1.260 64.546 63.100 0.310 0.000 0.808 233 P CB 0.073 31.923 31.700 0.250 0.000 0.779 234 T N -4.738 109.926 114.554 0.183 0.000 3.023 234 T HA -0.036 4.315 4.350 0.001 0.000 0.266 234 T C 1.267 176.067 174.700 0.166 0.000 1.093 234 T CA 0.874 63.090 62.100 0.194 0.000 1.129 234 T CB -0.604 68.393 68.868 0.216 0.000 0.899 234 T HN 0.019 nan 8.240 nan 0.000 0.491 235 D N 0.001 120.513 120.400 0.186 0.000 2.249 235 D HA 0.066 4.706 4.640 0.001 0.000 0.205 235 D C 1.388 177.680 176.300 -0.014 0.000 0.962 235 D CA 0.495 54.610 54.000 0.191 0.000 0.860 235 D CB -0.265 40.757 40.800 0.370 0.000 0.955 235 D HN 0.405 nan 8.370 nan 0.000 0.505 236 Y N 1.424 121.597 120.300 -0.212 0.000 2.395 236 Y HA -0.070 4.480 4.550 0.001 0.000 0.293 236 Y C 2.269 178.016 175.900 -0.255 0.000 1.123 236 Y CA 0.731 58.566 58.100 -0.442 0.000 1.227 236 Y CB 0.062 38.058 38.460 -0.773 0.000 1.012 236 Y HN -0.177 nan 8.280 nan 0.000 0.552 237 S N 0.369 116.071 115.700 0.003 0.000 2.400 237 S HA -0.203 4.267 4.470 0.001 0.000 0.232 237 S C 1.923 176.546 174.600 0.038 0.000 1.025 237 S CA 1.553 59.788 58.200 0.059 0.000 0.993 237 S CB -0.530 62.772 63.200 0.171 0.000 0.808 237 S HN 0.475 nan 8.310 nan 0.000 0.478 238 L N 1.025 122.212 121.223 -0.059 0.000 2.275 238 L HA -0.011 4.329 4.340 0.001 0.000 0.215 238 L C 2.026 178.851 176.870 -0.075 0.000 1.119 238 L CA 0.937 55.738 54.840 -0.065 0.000 0.790 238 L CB -0.707 41.270 42.059 -0.137 0.000 0.919 238 L HN 0.457 nan 8.230 nan 0.000 0.443 239 I N -4.899 115.521 120.570 -0.249 0.000 4.057 239 I HA 0.033 4.204 4.170 0.001 0.000 0.334 239 I C 1.900 177.855 176.117 -0.270 0.000 1.308 239 I CA 0.280 61.405 61.300 -0.291 0.000 1.125 239 I CB 0.008 37.746 38.000 -0.436 0.000 1.034 239 I HN 0.084 nan 8.210 nan 0.000 0.401 240 Q N 1.316 120.973 119.800 -0.238 0.000 2.425 240 Q HA 0.082 4.423 4.340 0.001 0.000 0.204 240 Q C -0.454 175.529 176.000 -0.028 0.000 0.933 240 Q CA 0.381 56.108 55.803 -0.128 0.000 0.939 240 Q CB 0.321 29.023 28.738 -0.060 0.000 1.044 240 Q HN 0.541 nan 8.270 nan 0.000 0.513 241 D N -0.381 120.021 120.400 0.003 0.000 2.502 241 D HA 0.119 4.759 4.640 0.001 0.000 0.249 241 D C -1.787 174.509 176.300 -0.007 0.000 1.092 241 D CA -2.235 51.773 54.000 0.013 0.000 0.839 241 D CB 1.683 42.520 40.800 0.061 0.000 1.264 241 D HN -0.216 nan 8.370 nan 0.000 0.511 242 P HA -0.157 nan 4.420 nan 0.000 0.218 242 P C 0.786 178.062 177.300 -0.041 0.000 1.149 242 P CA 0.893 63.970 63.100 -0.038 0.000 0.817 242 P CB 0.411 32.087 31.700 -0.040 0.000 0.785 243 K N -0.786 119.570 120.400 -0.073 0.000 2.031 243 K HA -0.097 4.223 4.320 0.001 0.000 0.205 243 K C 2.363 178.970 176.600 0.011 0.000 1.049 243 K CA 1.196 57.435 56.287 -0.080 0.000 0.939 243 K CB -0.974 31.422 32.500 -0.174 0.000 0.717 243 K HN 0.173 nan 8.250 nan 0.000 0.438 244 Y N 1.251 121.523 120.300 -0.046 0.000 2.242 244 Y HA -0.136 4.415 4.550 0.001 0.000 0.291 244 Y C 2.262 178.115 175.900 -0.079 0.000 1.137 244 Y CA 0.211 58.281 58.100 -0.050 0.000 1.181 244 Y CB -0.753 37.692 38.460 -0.025 0.000 0.989 244 Y HN -0.040 nan 8.280 nan 0.000 0.527 245 L N -0.946 120.324 121.223 0.078 0.000 2.093 245 L HA -0.137 4.203 4.340 0.001 0.000 0.208 245 L C 2.501 179.337 176.870 -0.057 0.000 1.085 245 L CA 1.802 56.631 54.840 -0.017 0.000 0.755 245 L CB -1.043 40.991 42.059 -0.042 0.000 0.904 245 L HN 0.094 nan 8.230 nan 0.000 0.435 246 S N -0.796 114.870 115.700 -0.056 0.000 2.382 246 S HA -0.113 4.358 4.470 0.001 0.000 0.228 246 S C 1.920 176.426 174.600 -0.157 0.000 1.027 246 S CA 1.628 59.776 58.200 -0.087 0.000 0.991 246 S CB -0.347 62.811 63.200 -0.069 0.000 0.823 246 S HN 0.535 nan 8.310 nan 0.000 0.469 247 I N 0.348 120.806 120.570 -0.187 0.000 2.584 247 I HA -0.022 4.148 4.170 0.001 0.000 0.255 247 I C 2.116 177.907 176.117 -0.544 0.000 1.145 247 I CA 0.389 61.447 61.300 -0.403 0.000 1.462 247 I CB -0.237 37.575 38.000 -0.314 0.000 1.102 247 I HN 0.134 nan 8.210 nan 0.000 0.433 248 V N 1.269 121.028 119.914 -0.258 0.000 2.343 248 V HA -0.260 3.861 4.120 0.001 0.000 0.247 248 V C 2.438 178.414 176.094 -0.198 0.000 1.051 248 V CA 1.827 64.033 62.300 -0.157 0.000 1.036 248 V CB -0.618 31.217 31.823 0.019 0.000 0.654 248 V HN 0.376 nan 8.190 nan 0.000 0.451 249 K N -0.398 119.904 120.400 -0.162 0.000 2.148 249 K HA -0.193 4.127 4.320 0.001 0.000 0.204 249 K C 2.202 178.716 176.600 -0.144 0.000 1.050 249 K CA 1.380 57.595 56.287 -0.121 0.000 0.942 249 K CB -0.115 32.329 32.500 -0.093 0.000 0.724 249 K HN 0.509 nan 8.250 nan 0.000 0.446 250 E N -0.152 119.911 120.200 -0.228 0.000 2.106 250 E HA -0.166 4.184 4.350 0.001 0.000 0.192 250 E C 1.503 178.029 176.600 -0.124 0.000 0.984 250 E CA 1.042 57.317 56.400 -0.209 0.000 0.806 250 E CB 0.134 29.642 29.700 -0.320 0.000 0.750 250 E HN 0.279 nan 8.360 nan 0.000 0.458 251 Y N -0.396 119.733 120.300 -0.285 0.000 2.365 251 Y HA 0.124 4.674 4.550 0.001 0.000 0.293 251 Y C 2.132 177.830 175.900 -0.337 0.000 1.119 251 Y CA 0.533 58.390 58.100 -0.406 0.000 1.203 251 Y CB -0.770 37.103 38.460 -0.978 0.000 1.026 251 Y HN 0.085 nan 8.280 nan 0.000 0.549 252 A N -0.010 122.739 122.820 -0.118 0.000 2.015 252 A HA -0.202 4.119 4.320 0.001 0.000 0.219 252 A C 2.090 179.667 177.584 -0.011 0.000 1.163 252 A CA 1.893 53.920 52.037 -0.016 0.000 0.646 252 A CB -0.731 18.276 19.000 0.011 0.000 0.806 252 A HN 0.472 nan 8.150 nan 0.000 0.448 253 N N -0.595 118.092 118.700 -0.021 0.000 2.251 253 N HA -0.030 4.710 4.740 0.001 0.000 0.181 253 N C -0.296 175.213 175.510 -0.002 0.000 1.019 253 N CA 1.068 54.110 53.050 -0.013 0.000 0.862 253 N CB 0.092 38.567 38.487 -0.020 0.000 0.992 253 N HN 0.415 nan 8.380 nan 0.000 0.429 254 D N -0.615 119.796 120.400 0.019 0.000 2.471 254 D HA 0.155 4.795 4.640 0.001 0.000 0.245 254 D C 0.311 176.640 176.300 0.048 0.000 1.116 254 D CA -0.346 53.671 54.000 0.027 0.000 0.853 254 D CB 1.194 42.020 40.800 0.043 0.000 1.123 254 D HN 0.068 nan 8.370 nan 0.000 0.540 255 Q N 2.473 122.256 119.800 -0.028 0.000 2.083 255 Q HA -0.131 4.210 4.340 0.001 0.000 0.198 255 Q C 0.680 176.567 176.000 -0.189 0.000 0.969 255 Q CA 1.052 56.800 55.803 -0.093 0.000 0.838 255 Q CB 0.297 28.875 28.738 -0.267 0.000 0.900 255 Q HN 0.581 nan 8.270 nan 0.000 0.436 256 D N 0.169 120.463 120.400 -0.176 0.000 2.263 256 D HA -0.148 4.492 4.640 0.001 0.000 0.208 256 D C 1.620 177.949 176.300 0.049 0.000 0.971 256 D CA 0.955 54.900 54.000 -0.092 0.000 0.867 256 D CB 0.198 40.968 40.800 -0.049 0.000 0.929 256 D HN 0.094 nan 8.370 nan 0.000 0.492 257 K N 0.321 120.770 120.400 0.081 0.000 2.137 257 K HA -0.075 4.246 4.320 0.001 0.000 0.202 257 K C 1.791 178.468 176.600 0.128 0.000 1.052 257 K CA 0.365 56.736 56.287 0.140 0.000 0.961 257 K CB -0.536 32.080 32.500 0.193 0.000 0.741 257 K HN 0.008 nan 8.250 nan 0.000 0.452 258 F N 0.343 120.240 119.950 -0.088 0.000 2.113 258 F HA -0.054 4.474 4.527 0.001 0.000 0.297 258 F C 1.515 177.348 175.800 0.055 0.000 1.103 258 F CA 1.201 58.951 58.000 -0.416 0.000 1.248 258 F CB -0.563 38.207 39.000 -0.384 0.000 0.999 258 F HN -0.030 nan 8.300 nan 0.000 0.475 259 F N 1.450 121.149 119.950 -0.418 0.000 2.095 259 F HA -0.173 4.354 4.527 0.001 0.000 0.298 259 F C 2.647 178.335 175.800 -0.186 0.000 1.104 259 F CA 1.836 59.630 58.000 -0.343 0.000 1.232 259 F CB -1.257 37.683 39.000 -0.100 0.000 0.987 259 F HN 0.051 nan 8.300 nan 0.000 0.475 260 K N -0.015 120.446 120.400 0.103 0.000 2.057 260 K HA -0.183 4.138 4.320 0.001 0.000 0.207 260 K C 1.647 178.256 176.600 0.014 0.000 1.049 260 K CA 1.856 58.178 56.287 0.057 0.000 0.931 260 K CB -0.156 32.388 32.500 0.074 0.000 0.714 260 K HN 0.059 nan 8.250 nan 0.000 0.440 261 D N -0.385 120.015 120.400 -0.000 0.000 2.234 261 D HA -0.097 4.544 4.640 0.001 0.000 0.205 261 D C 1.457 177.739 176.300 -0.030 0.000 0.962 261 D CA 0.569 54.576 54.000 0.012 0.000 0.855 261 D CB -0.058 40.792 40.800 0.083 0.000 0.951 261 D HN 0.192 nan 8.370 nan 0.000 0.500 262 F N 1.285 121.083 119.950 -0.254 0.000 2.128 262 F HA -0.166 4.361 4.527 0.001 0.000 0.295 262 F C 2.336 178.062 175.800 -0.123 0.000 1.100 262 F CA 1.080 58.929 58.000 -0.252 0.000 1.260 262 F CB -0.018 38.666 39.000 -0.527 0.000 1.009 262 F HN -0.167 nan 8.300 nan 0.000 0.476 263 S N 0.675 116.310 115.700 -0.107 0.000 2.359 263 S HA -0.270 4.200 4.470 0.001 0.000 0.223 263 S C 1.889 176.421 174.600 -0.112 0.000 1.039 263 S CA 1.826 59.971 58.200 -0.093 0.000 1.042 263 S CB -0.507 62.667 63.200 -0.043 0.000 0.915 263 S HN 0.342 nan 8.310 nan 0.000 0.439 264 K N 1.217 121.564 120.400 -0.088 0.000 2.032 264 K HA -0.071 4.249 4.320 0.001 0.000 0.209 264 K C 2.391 178.938 176.600 -0.088 0.000 1.048 264 K CA 1.359 57.602 56.287 -0.073 0.000 0.927 264 K CB -0.356 32.121 32.500 -0.038 0.000 0.712 264 K HN 0.370 nan 8.250 nan 0.000 0.441 265 A N 0.349 123.100 122.820 -0.116 0.000 1.929 265 A HA -0.114 4.206 4.320 0.001 0.000 0.216 265 A C 1.953 179.471 177.584 -0.110 0.000 1.176 265 A CA 0.883 52.856 52.037 -0.106 0.000 0.628 265 A CB -0.523 18.413 19.000 -0.106 0.000 0.816 265 A HN 0.298 nan 8.150 nan 0.000 0.444 266 F N 1.034 120.687 119.950 -0.495 0.000 2.146 266 F HA -0.080 4.447 4.527 0.001 0.000 0.298 266 F C 2.201 177.881 175.800 -0.200 0.000 1.096 266 F CA 1.599 59.317 58.000 -0.470 0.000 1.275 266 F CB -0.436 38.057 39.000 -0.845 0.000 1.008 266 F HN 0.495 nan 8.300 nan 0.000 0.480 267 E N 0.266 120.377 120.200 -0.149 0.000 2.077 267 E HA -0.263 4.087 4.350 0.001 0.000 0.193 267 E C 2.368 178.869 176.600 -0.164 0.000 0.989 267 E CA 1.566 57.861 56.400 -0.174 0.000 0.800 267 E CB -0.366 29.256 29.700 -0.129 0.000 0.746 267 E HN 0.386 nan 8.360 nan 0.000 0.452 268 K N 0.483 120.811 120.400 -0.120 0.000 2.026 268 K HA -0.145 4.176 4.320 0.001 0.000 0.208 268 K C 2.313 178.853 176.600 -0.101 0.000 1.048 268 K CA 1.262 57.490 56.287 -0.098 0.000 0.929 268 K CB -0.226 32.241 32.500 -0.054 0.000 0.713 268 K HN 0.276 nan 8.250 nan 0.000 0.439 269 L N 1.228 122.421 121.223 -0.049 0.000 2.042 269 L HA -0.184 4.156 4.340 0.001 0.000 0.210 269 L C 2.049 178.888 176.870 -0.051 0.000 1.076 269 L CA 1.473 56.333 54.840 0.032 0.000 0.749 269 L CB -0.206 41.964 42.059 0.184 0.000 0.893 269 L HN 0.335 nan 8.230 nan 0.000 0.432 270 L N -1.265 119.865 121.223 -0.154 0.000 2.418 270 L HA -0.094 4.247 4.340 0.001 0.000 0.218 270 L C 1.699 178.500 176.870 -0.116 0.000 1.125 270 L CA 0.534 55.288 54.840 -0.143 0.000 0.835 270 L CB -0.190 41.738 42.059 -0.219 0.000 0.953 270 L HN 0.248 nan 8.230 nan 0.000 0.454 271 E N -0.640 119.475 120.200 -0.140 0.000 2.481 271 E HA 0.058 4.409 4.350 0.001 0.000 0.198 271 E C -0.017 176.455 176.600 -0.215 0.000 1.027 271 E CA -0.350 56.000 56.400 -0.083 0.000 0.900 271 E CB 0.435 30.125 29.700 -0.018 0.000 0.993 271 E HN 0.283 nan 8.360 nan 0.000 0.482 272 N N 0.660 119.107 118.700 -0.422 0.000 2.440 272 N HA 0.020 4.761 4.740 0.001 0.000 0.265 272 N C 0.806 175.619 175.510 -1.161 0.000 1.239 272 N CA 1.221 53.707 53.050 -0.941 0.000 0.909 272 N CB 1.187 38.917 38.487 -1.261 0.000 1.066 272 N HN 0.330 nan 8.380 nan 0.000 0.474 273 G N 1.894 110.163 108.800 -0.884 0.000 2.194 273 G HA2 -0.250 3.711 3.960 0.001 0.000 0.236 273 G HA3 -0.250 3.711 3.960 0.001 0.000 0.236 273 G C 0.088 174.890 174.900 -0.162 0.000 0.987 273 G CA -0.245 44.695 45.100 -0.267 0.000 0.635 273 G HN 0.540 nan 8.290 nan 0.000 0.520 274 I N 1.947 122.348 120.570 -0.283 0.000 2.336 274 I HA 0.435 4.605 4.170 0.001 0.000 0.292 274 I C 0.174 175.981 176.117 -0.516 0.000 0.991 274 I CA -0.513 60.531 61.300 -0.426 0.000 1.227 274 I CB 1.837 39.555 38.000 -0.470 0.000 1.366 274 I HN -0.046 nan 8.210 nan 0.000 0.466 275 T N 6.584 120.831 114.554 -0.511 0.000 2.744 275 T HA 0.451 4.802 4.350 0.001 0.000 0.291 275 T C -0.480 173.918 174.700 -0.503 0.000 0.957 275 T CA -0.173 61.710 62.100 -0.363 0.000 1.002 275 T CB 0.058 68.803 68.868 -0.204 0.000 0.919 275 T HN 0.115 nan 8.240 nan 0.000 0.468 276 F N 4.817 124.715 119.950 -0.086 0.000 2.405 276 F HA 0.412 4.939 4.527 0.001 0.000 0.355 276 F C -1.436 174.321 175.800 -0.072 0.000 1.121 276 F CA -2.168 55.777 58.000 -0.091 0.000 1.112 276 F CB 0.462 39.382 39.000 -0.134 0.000 1.126 276 F HN 0.424 nan 8.300 nan 0.000 0.481 277 P HA 0.220 nan 4.420 nan 0.000 0.296 277 P C 0.522 177.846 177.300 0.040 0.000 1.295 277 P CA -0.436 62.689 63.100 0.041 0.000 0.754 277 P CB 0.933 32.650 31.700 0.028 0.000 1.311 278 K N -0.230 120.181 120.400 0.019 0.000 2.128 278 K HA -0.038 4.282 4.320 0.001 0.000 0.202 278 K C 0.594 177.198 176.600 0.007 0.000 1.050 278 K CA 1.024 57.315 56.287 0.006 0.000 0.966 278 K CB -0.269 32.232 32.500 0.001 0.000 0.759 278 K HN 0.566 nan 8.250 nan 0.000 0.454 279 D N 0.988 121.398 120.400 0.016 0.000 3.008 279 D HA 0.079 4.720 4.640 0.001 0.000 0.242 279 D C -0.619 175.700 176.300 0.033 0.000 1.222 279 D CA -0.075 53.938 54.000 0.022 0.000 0.883 279 D CB -0.105 40.709 40.800 0.024 0.000 1.110 279 D HN -0.007 nan 8.370 nan 0.000 0.455 280 A N 1.002 123.835 122.820 0.022 0.000 2.386 280 A HA 0.665 4.985 4.320 0.001 0.000 0.311 280 A C -2.648 174.910 177.584 -0.043 0.000 1.068 280 A CA -1.400 50.650 52.037 0.020 0.000 0.743 280 A CB 1.078 20.118 19.000 0.067 0.000 1.258 280 A HN 0.101 nan 8.150 nan 0.000 0.429 281 P HA 0.377 nan 4.420 nan 0.000 0.274 281 P C 0.110 177.221 177.300 -0.316 0.000 1.237 281 P CA -0.193 62.828 63.100 -0.131 0.000 0.793 281 P CB 0.760 32.434 31.700 -0.043 0.000 0.977 282 S N 1.911 117.449 115.700 -0.271 0.000 2.576 282 S HA 0.183 4.653 4.470 0.001 0.000 0.272 282 S C -2.097 172.180 174.600 -0.538 0.000 1.352 282 S CA -0.540 57.467 58.200 -0.322 0.000 1.021 282 S CB -0.589 62.493 63.200 -0.197 0.000 0.887 282 S HN 0.363 nan 8.310 nan 0.000 0.542 283 P HA 0.138 nan 4.420 nan 0.000 0.268 283 P C -0.878 176.177 177.300 -0.409 0.000 1.205 283 P CA 0.048 62.805 63.100 -0.570 0.000 0.771 283 P CB 0.197 31.658 31.700 -0.400 0.000 0.858 284 F N 2.518 122.309 119.950 -0.265 0.000 2.396 284 F HA 0.270 4.798 4.527 0.001 0.000 0.343 284 F C 0.881 176.415 175.800 -0.442 0.000 1.104 284 F CA -0.395 57.396 58.000 -0.349 0.000 1.161 284 F CB 0.196 38.887 39.000 -0.515 0.000 1.146 284 F HN 0.110 nan 8.300 nan 0.000 0.522 285 I N 5.074 125.571 120.570 -0.123 0.000 2.347 285 I HA 0.171 4.341 4.170 0.001 0.000 0.283 285 I C -0.571 175.506 176.117 -0.065 0.000 1.058 285 I CA -0.575 60.663 61.300 -0.104 0.000 1.202 285 I CB -0.036 37.929 38.000 -0.058 0.000 1.386 285 I HN 0.302 nan 8.210 nan 0.000 0.475 286 F N 5.039 125.008 119.950 0.032 0.000 2.429 286 F HA 0.241 4.768 4.527 0.001 0.000 0.348 286 F C 1.193 176.799 175.800 -0.324 0.000 1.109 286 F CA -0.301 57.544 58.000 -0.258 0.000 1.232 286 F CB 0.488 39.010 39.000 -0.797 0.000 1.157 286 F HN 0.234 nan 8.300 nan 0.000 0.564 287 K N 1.447 121.814 120.400 -0.054 0.000 2.249 287 K HA 0.270 4.590 4.320 0.001 0.000 0.280 287 K C 0.296 176.843 176.600 -0.089 0.000 1.033 287 K CA -0.527 55.740 56.287 -0.032 0.000 0.946 287 K CB 0.753 33.275 32.500 0.037 0.000 1.005 287 K HN 0.758 nan 8.250 nan 0.000 0.469 288 T N -0.210 114.381 114.554 0.062 0.000 2.828 288 T HA 0.066 4.417 4.350 0.001 0.000 0.290 288 T C 1.303 176.111 174.700 0.180 0.000 1.019 288 T CA -0.808 61.419 62.100 0.211 0.000 1.031 288 T CB 0.552 69.528 68.868 0.181 0.000 1.001 288 T HN 0.305 nan 8.240 nan 0.000 0.531 289 L N 0.714 122.061 121.223 0.207 0.000 2.081 289 L HA -0.036 4.304 4.340 0.001 0.000 0.212 289 L C 2.753 179.680 176.870 0.095 0.000 1.080 289 L CA 1.920 56.839 54.840 0.133 0.000 0.754 289 L CB -1.261 40.861 42.059 0.105 0.000 0.893 289 L HN 0.994 nan 8.230 nan 0.000 0.433 290 E N -0.550 119.706 120.200 0.094 0.000 2.153 290 E HA -0.225 4.126 4.350 0.001 0.000 0.194 290 E C 1.768 178.408 176.600 0.068 0.000 0.988 290 E CA 1.259 57.704 56.400 0.076 0.000 0.811 290 E CB 0.038 29.785 29.700 0.078 0.000 0.746 290 E HN 0.580 nan 8.360 nan 0.000 0.466 291 E N -0.426 119.817 120.200 0.072 0.000 2.435 291 E HA -0.069 4.281 4.350 0.001 0.000 0.195 291 E C 1.317 177.951 176.600 0.055 0.000 1.029 291 E CA 0.373 56.809 56.400 0.061 0.000 0.865 291 E CB 0.289 30.025 29.700 0.060 0.000 0.833 291 E HN 0.341 nan 8.360 nan 0.000 0.510 292 Q N -0.755 119.081 119.800 0.059 0.000 2.247 292 Q HA 0.171 4.512 4.340 0.001 0.000 0.211 292 Q C 0.724 176.752 176.000 0.047 0.000 0.861 292 Q CA 0.274 56.108 55.803 0.052 0.000 0.949 292 Q CB 1.366 30.137 28.738 0.056 0.000 1.115 292 Q HN 0.282 nan 8.270 nan 0.000 0.507 293 G N 1.268 110.097 108.800 0.048 0.000 2.198 293 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 293 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 293 G C -0.199 174.726 174.900 0.042 0.000 1.025 293 G CA 0.136 45.261 45.100 0.043 0.000 0.769 293 G HN 0.163 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.252 121.223 0.048 0.000 2.949 294 L HA 0.000 4.340 4.340 0.001 0.000 0.249 294 L CA 0.000 54.867 54.840 0.046 0.000 0.813 294 L CB 0.000 42.088 42.059 0.049 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502