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 3hp0_1_B DATA FIRST_RESID 5 DATA SEQUENCE TYQTIKVRFQ ASVCYITFHR PEANNTINDT LIEECLQVLN QCETSTVTVV DATA SEQUENCE VLEGLPEVFC FGADFQEIYQ EXKRGRKQAS SQEPLYDLWX KLQTGPYVTI DATA SEQUENCE SHVRGKVNAG GLGFVSATDI AIADQTASFS LSELLFGLYP ACVLPFLIRR DATA SEQUENCE IGRQKAHYXT LXTKPISVQE ASEWGLIDAF DAESDVLLRK HLLRLRRLNK DATA SEQUENCE KGIAHYKQFX SSLDHQVSRA KATALTANQD XFSDPQNQXG IIRYVETGQF DATA SEQUENCE P 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.454 174.700 -0.409 0.000 1.109 5 T CA 0.000 61.955 62.100 -0.242 0.000 1.349 5 T CB 0.000 68.793 68.868 -0.125 0.000 0.612 6 Y N 1.316 121.634 120.300 0.030 0.000 2.524 6 Y HA 0.500 5.050 4.550 -0.000 0.000 0.344 6 Y C 1.544 177.465 175.900 0.036 0.000 1.012 6 Y CA -0.980 57.140 58.100 0.034 0.000 1.068 6 Y CB 1.861 40.343 38.460 0.038 0.000 1.249 6 Y HN 0.660 nan 8.280 nan 0.000 0.468 7 Q N 0.116 120.036 119.800 0.200 0.000 2.331 7 Q HA -0.058 4.282 4.340 -0.000 0.000 0.203 7 Q C 0.909 176.983 176.000 0.124 0.000 0.944 7 Q CA 1.638 57.516 55.803 0.126 0.000 0.892 7 Q CB 0.293 29.084 28.738 0.087 0.000 0.983 7 Q HN 0.927 nan 8.270 nan 0.000 0.482 8 T N -2.220 112.416 114.554 0.136 0.000 3.058 8 T HA 0.321 4.671 4.350 -0.000 0.000 0.278 8 T C 0.403 175.178 174.700 0.126 0.000 0.974 8 T CA -0.294 61.869 62.100 0.105 0.000 0.893 8 T CB -0.061 68.839 68.868 0.054 0.000 1.138 8 T HN 0.326 nan 8.240 nan 0.000 0.529 9 I N -2.698 117.952 120.570 0.133 0.000 3.102 9 I HA 0.802 4.972 4.170 -0.000 0.000 0.310 9 I C -1.842 174.325 176.117 0.083 0.000 1.246 9 I CA -1.494 59.854 61.300 0.080 0.000 0.979 9 I CB 2.161 40.138 38.000 -0.039 0.000 1.267 9 I HN -0.337 nan 8.210 nan 0.000 0.451 10 K N 2.805 123.208 120.400 0.005 0.000 2.259 10 K HA 0.777 5.097 4.320 -0.000 0.000 0.252 10 K C -1.224 175.355 176.600 -0.036 0.000 0.936 10 K CA -0.822 55.462 56.287 -0.005 0.000 0.810 10 K CB 2.731 35.175 32.500 -0.094 0.000 1.143 10 K HN 0.584 nan 8.250 nan 0.000 0.427 11 V N 2.697 122.623 119.914 0.019 0.000 2.686 11 V HA 0.576 4.696 4.120 -0.000 0.000 0.306 11 V C -0.398 175.663 176.094 -0.055 0.000 1.065 11 V CA -1.050 61.217 62.300 -0.056 0.000 0.894 11 V CB 2.076 33.911 31.823 0.021 0.000 1.004 11 V HN 0.842 nan 8.190 nan 0.000 0.424 12 R N 2.793 123.179 120.500 -0.190 0.000 2.808 12 R HA 0.851 5.191 4.340 -0.000 0.000 0.272 12 R C -2.066 174.085 176.300 -0.248 0.000 0.995 12 R CA -0.713 55.335 56.100 -0.087 0.000 0.917 12 R CB 2.047 32.302 30.300 -0.076 0.000 1.217 12 R HN 0.382 nan 8.270 nan 0.000 0.471 13 F N -0.115 119.911 119.950 0.126 0.000 2.563 13 F HA 0.480 5.007 4.527 -0.000 0.000 0.316 13 F C -0.442 175.442 175.800 0.140 0.000 1.076 13 F CA -0.753 57.342 58.000 0.158 0.000 0.921 13 F CB 2.740 41.798 39.000 0.097 0.000 1.209 13 F HN 0.477 nan 8.300 nan 0.000 0.462 14 Q N 2.022 122.038 119.800 0.360 0.000 2.444 14 Q HA 0.624 4.964 4.340 -0.000 0.000 0.239 14 Q C -0.294 175.837 176.000 0.220 0.000 0.853 14 Q CA 0.196 56.144 55.803 0.241 0.000 0.856 14 Q CB 1.607 30.466 28.738 0.202 0.000 1.413 14 Q HN 1.105 nan 8.270 nan 0.000 0.437 15 A N 1.752 124.669 122.820 0.162 0.000 5.818 15 A HA -0.193 4.127 4.320 -0.000 0.000 0.265 15 A C 0.359 178.028 177.584 0.142 0.000 2.155 15 A CA 0.965 53.077 52.037 0.125 0.000 0.711 15 A CB -1.988 17.076 19.000 0.107 0.000 1.085 15 A HN 1.684 nan 8.150 nan 0.000 0.357 16 S N -0.698 115.069 115.700 0.112 0.000 2.768 16 S HA 0.493 4.963 4.470 -0.000 0.000 0.246 16 S C 0.071 174.732 174.600 0.102 0.000 1.006 16 S CA 0.367 58.636 58.200 0.115 0.000 1.075 16 S CB -0.662 62.591 63.200 0.089 0.000 0.786 16 S HN 1.625 nan 8.310 nan 0.000 0.468 17 V N 0.881 120.856 119.914 0.102 0.000 2.667 17 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 17 V C -0.012 176.046 176.094 -0.060 0.000 1.048 17 V CA -1.108 61.166 62.300 -0.044 0.000 0.928 17 V CB 1.421 33.170 31.823 -0.124 0.000 1.004 17 V HN 0.612 nan 8.190 nan 0.000 0.444 18 C N 4.741 123.855 119.300 -0.310 0.000 2.441 18 C HA 0.770 5.230 4.460 -0.000 0.000 0.318 18 C C -1.277 173.385 174.990 -0.547 0.000 1.222 18 C CA -0.609 58.143 59.018 -0.444 0.000 1.474 18 C CB 0.314 27.844 27.740 -0.350 0.000 2.125 18 C HN 0.765 nan 8.230 nan 0.000 0.479 19 Y N 5.387 125.452 120.300 -0.391 0.000 2.335 19 Y HA 0.682 5.232 4.550 -0.000 0.000 0.338 19 Y C 0.373 176.083 175.900 -0.316 0.000 0.977 19 Y CA -0.901 57.033 58.100 -0.277 0.000 1.114 19 Y CB 1.034 39.376 38.460 -0.197 0.000 1.182 19 Y HN 0.515 nan 8.280 nan 0.000 0.463 20 I N 3.424 123.880 120.570 -0.191 0.000 2.389 20 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 20 I C -0.628 175.258 176.117 -0.386 0.000 0.999 20 I CA -0.411 60.724 61.300 -0.275 0.000 1.129 20 I CB 1.629 39.448 38.000 -0.300 0.000 1.288 20 I HN 0.578 nan 8.210 nan 0.000 0.444 21 T N 6.211 120.585 114.554 -0.300 0.000 2.772 21 T HA 0.452 4.802 4.350 -0.000 0.000 0.288 21 T C -0.289 174.284 174.700 -0.211 0.000 0.994 21 T CA -0.445 61.463 62.100 -0.321 0.000 0.951 21 T CB 0.342 69.114 68.868 -0.160 0.000 0.933 21 T HN 0.043 nan 8.240 nan 0.000 0.447 22 F N 2.862 122.694 119.950 -0.198 0.000 2.541 22 F HA 0.256 4.783 4.527 -0.000 0.000 0.378 22 F C 0.999 176.767 175.800 -0.054 0.000 1.068 22 F CA -0.649 57.232 58.000 -0.198 0.000 1.199 22 F CB -0.063 38.721 39.000 -0.360 0.000 1.091 22 F HN 0.620 nan 8.300 nan 0.000 0.555 23 H N 3.463 122.569 119.070 0.060 0.000 2.569 23 H HA 0.480 5.036 4.556 -0.000 0.000 0.247 23 H C -0.621 174.715 175.328 0.013 0.000 1.346 23 H CA -0.550 55.508 56.048 0.017 0.000 1.502 23 H CB 0.281 30.045 29.762 0.004 0.000 1.512 23 H HN 0.606 nan 8.280 nan 0.000 0.502 24 R N 4.531 124.905 120.500 -0.210 0.000 2.701 24 R HA 0.149 4.489 4.340 -0.000 0.000 0.281 24 R C -2.027 174.146 176.300 -0.212 0.000 1.367 24 R CA -1.397 54.592 56.100 -0.184 0.000 1.510 24 R CB 0.851 31.099 30.300 -0.085 0.000 1.306 24 R HN 0.457 nan 8.270 nan 0.000 0.682 25 P HA -0.223 nan 4.420 nan 0.000 0.216 25 P C 0.364 177.576 177.300 -0.146 0.000 1.154 25 P CA 1.426 64.386 63.100 -0.233 0.000 0.865 25 P CB 0.437 31.972 31.700 -0.274 0.000 0.789 26 E N -0.758 119.364 120.200 -0.129 0.000 2.511 26 E HA 0.089 4.439 4.350 -0.000 0.000 0.196 26 E C 1.608 178.166 176.600 -0.071 0.000 1.066 26 E CA 0.532 56.881 56.400 -0.084 0.000 0.871 26 E CB -0.359 29.303 29.700 -0.063 0.000 0.863 26 E HN 0.335 nan 8.360 nan 0.000 0.520 27 A N 0.506 123.279 122.820 -0.078 0.000 2.469 27 A HA 0.115 4.435 4.320 -0.000 0.000 0.245 27 A C 0.700 178.245 177.584 -0.066 0.000 1.221 27 A CA 0.087 52.092 52.037 -0.053 0.000 0.946 27 A CB -0.221 18.757 19.000 -0.037 0.000 1.049 27 A HN 0.292 nan 8.150 nan 0.000 0.529 28 N N 0.349 118.990 118.700 -0.099 0.000 2.780 28 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 28 N C -0.752 174.724 175.510 -0.057 0.000 1.102 28 N CA 0.563 53.536 53.050 -0.128 0.000 0.697 28 N CB -1.058 37.289 38.487 -0.233 0.000 1.028 28 N HN 0.375 nan 8.380 nan 0.000 0.554 29 N N 0.039 118.705 118.700 -0.056 0.000 2.714 29 N HA -0.164 4.576 4.740 -0.000 0.000 0.252 29 N C -0.447 175.049 175.510 -0.023 0.000 1.014 29 N CA 1.765 54.788 53.050 -0.045 0.000 0.735 29 N CB -1.248 37.226 38.487 -0.021 0.000 0.924 29 N HN 0.658 nan 8.380 nan 0.000 0.540 30 T N -2.378 112.172 114.554 -0.006 0.000 2.918 30 T HA 0.659 5.009 4.350 -0.000 0.000 0.283 30 T C 0.990 175.670 174.700 -0.033 0.000 1.001 30 T CA -0.892 61.225 62.100 0.029 0.000 1.041 30 T CB 1.669 70.574 68.868 0.063 0.000 1.028 30 T HN 0.179 nan 8.240 nan 0.000 0.511 31 I N 3.147 123.707 120.570 -0.018 0.000 2.472 31 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 31 I C 0.416 176.506 176.117 -0.045 0.000 1.016 31 I CA -0.657 60.613 61.300 -0.049 0.000 1.348 31 I CB 0.551 38.542 38.000 -0.014 0.000 1.417 31 I HN 0.813 nan 8.210 nan 0.000 0.521 32 N N 3.199 121.863 118.700 -0.060 0.000 2.732 32 N HA 0.187 4.927 4.740 -0.000 0.000 0.259 32 N C -0.236 175.237 175.510 -0.061 0.000 1.402 32 N CA -0.707 52.310 53.050 -0.054 0.000 0.829 32 N CB 1.084 39.551 38.487 -0.032 0.000 1.495 32 N HN 0.394 nan 8.380 nan 0.000 0.511 33 D N 0.028 120.393 120.400 -0.058 0.000 2.178 33 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 33 D C 0.964 177.246 176.300 -0.030 0.000 0.980 33 D CA 1.762 55.729 54.000 -0.054 0.000 0.842 33 D CB -0.135 40.635 40.800 -0.051 0.000 0.948 33 D HN 0.665 nan 8.370 nan 0.000 0.472 34 T N 2.157 116.702 114.554 -0.014 0.000 2.746 34 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 34 T C 1.891 176.598 174.700 0.011 0.000 1.039 34 T CA 0.237 62.343 62.100 0.010 0.000 1.142 34 T CB -0.210 68.671 68.868 0.022 0.000 0.866 34 T HN 0.059 nan 8.240 nan 0.000 0.444 35 L N 1.447 122.665 121.223 -0.009 0.000 1.989 35 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 35 L C 2.232 179.097 176.870 -0.008 0.000 1.071 35 L CA 1.792 56.620 54.840 -0.020 0.000 0.749 35 L CB -1.255 40.761 42.059 -0.073 0.000 0.890 35 L HN 0.304 nan 8.230 nan 0.000 0.431 36 I N -0.048 120.509 120.570 -0.022 0.000 2.163 36 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 36 I C 2.518 178.631 176.117 -0.008 0.000 1.085 36 I CA 1.551 62.837 61.300 -0.024 0.000 1.347 36 I CB -0.266 37.679 38.000 -0.092 0.000 1.044 36 I HN 0.297 nan 8.210 nan 0.000 0.408 37 E N 1.301 121.498 120.200 -0.004 0.000 2.072 37 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 37 E C 1.964 178.582 176.600 0.031 0.000 0.985 37 E CA 1.494 57.903 56.400 0.016 0.000 0.801 37 E CB -0.067 29.647 29.700 0.023 0.000 0.750 37 E HN 0.448 nan 8.360 nan 0.000 0.452 38 E N -0.638 119.576 120.200 0.025 0.000 2.106 38 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 38 E C 2.296 178.819 176.600 -0.128 0.000 0.984 38 E CA 1.157 57.547 56.400 -0.016 0.000 0.806 38 E CB -0.247 29.442 29.700 -0.019 0.000 0.750 38 E HN 0.330 nan 8.360 nan 0.000 0.458 39 C N 0.761 120.024 119.300 -0.061 0.000 2.429 39 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 39 C C 2.621 177.616 174.990 0.009 0.000 1.262 39 C CA 0.446 59.448 59.018 -0.026 0.000 1.733 39 C CB -0.863 26.940 27.740 0.106 0.000 2.010 39 C HN 0.384 nan 8.230 nan 0.000 0.483 40 L N 0.103 121.346 121.223 0.034 0.000 2.083 40 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 40 L C 2.780 179.686 176.870 0.060 0.000 1.083 40 L CA 1.494 56.367 54.840 0.055 0.000 0.752 40 L CB -0.677 41.410 42.059 0.046 0.000 0.899 40 L HN 0.451 nan 8.230 nan 0.000 0.433 41 Q N -0.869 118.963 119.800 0.053 0.000 2.030 41 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 41 Q C 2.400 178.456 176.000 0.094 0.000 0.986 41 Q CA 2.064 57.923 55.803 0.093 0.000 0.843 41 Q CB -0.417 28.416 28.738 0.157 0.000 0.904 41 Q HN 0.425 nan 8.270 nan 0.000 0.420 42 V N 0.702 120.626 119.914 0.017 0.000 2.427 42 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 42 V C 1.948 178.073 176.094 0.051 0.000 1.051 42 V CA 1.407 63.724 62.300 0.029 0.000 1.048 42 V CB -0.285 31.463 31.823 -0.125 0.000 0.666 42 V HN 0.351 nan 8.190 nan 0.000 0.456 43 L N 0.215 121.457 121.223 0.032 0.000 2.131 43 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 43 L C 2.369 179.343 176.870 0.173 0.000 1.092 43 L CA 2.132 57.008 54.840 0.061 0.000 0.759 43 L CB -0.707 41.415 42.059 0.106 0.000 0.903 43 L HN 0.407 nan 8.230 nan 0.000 0.435 44 N N -0.520 118.267 118.700 0.144 0.000 2.270 44 N HA -0.198 4.542 4.740 -0.000 0.000 0.181 44 N C 1.845 177.443 175.510 0.147 0.000 1.016 44 N CA 0.647 53.784 53.050 0.146 0.000 0.870 44 N CB 0.063 38.617 38.487 0.111 0.000 0.979 44 N HN 0.267 nan 8.380 nan 0.000 0.431 45 Q N -0.460 119.427 119.800 0.146 0.000 2.084 45 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 45 Q C 1.267 177.366 176.000 0.164 0.000 0.978 45 Q CA 1.251 57.144 55.803 0.149 0.000 0.844 45 Q CB -0.103 28.744 28.738 0.182 0.000 0.898 45 Q HN 0.438 nan 8.270 nan 0.000 0.426 46 C N 1.325 120.741 119.300 0.192 0.000 2.491 46 C HA 0.019 4.479 4.460 -0.000 0.000 0.277 46 C C 2.196 177.385 174.990 0.331 0.000 1.455 46 C CA -0.186 58.972 59.018 0.234 0.000 1.758 46 C CB -0.886 26.919 27.740 0.109 0.000 1.745 46 C HN 0.532 nan 8.230 nan 0.000 0.558 47 E N 1.316 121.683 120.200 0.279 0.000 2.049 47 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 47 E C 2.270 178.945 176.600 0.125 0.000 1.007 47 E CA 2.458 58.974 56.400 0.195 0.000 0.809 47 E CB -0.242 29.535 29.700 0.128 0.000 0.749 47 E HN 0.778 nan 8.360 nan 0.000 0.450 48 T N -2.488 112.132 114.554 0.109 0.000 3.040 48 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 48 T C 1.164 175.913 174.700 0.082 0.000 1.058 48 T CA -0.173 61.975 62.100 0.079 0.000 0.988 48 T CB 0.394 69.297 68.868 0.058 0.000 0.993 48 T HN -0.161 nan 8.240 nan 0.000 0.519 49 S N 2.662 118.425 115.700 0.105 0.000 2.611 49 S HA 0.171 4.641 4.470 -0.000 0.000 0.252 49 S C 1.755 176.411 174.600 0.094 0.000 1.369 49 S CA 0.445 58.698 58.200 0.088 0.000 0.975 49 S CB 0.499 63.765 63.200 0.111 0.000 0.937 49 S HN 0.721 nan 8.310 nan 0.000 0.584 50 T N -1.782 112.817 114.554 0.076 0.000 3.129 50 T HA 0.089 4.439 4.350 -0.000 0.000 0.251 50 T C 0.649 175.414 174.700 0.108 0.000 1.117 50 T CA -0.132 62.015 62.100 0.079 0.000 1.034 50 T CB -0.353 68.548 68.868 0.056 0.000 0.968 50 T HN 0.338 nan 8.240 nan 0.000 0.526 51 V N 2.243 122.241 119.914 0.140 0.000 2.584 51 V HA 0.094 4.214 4.120 -0.000 0.000 0.303 51 V C 1.020 177.219 176.094 0.175 0.000 1.035 51 V CA 1.168 63.566 62.300 0.163 0.000 1.172 51 V CB 0.791 32.730 31.823 0.192 0.000 0.896 51 V HN 0.578 nan 8.190 nan 0.000 0.486 52 T N 4.852 119.490 114.554 0.139 0.000 2.959 52 T HA 0.250 4.600 4.350 -0.000 0.000 0.254 52 T C -0.114 174.676 174.700 0.150 0.000 1.003 52 T CA 0.737 62.928 62.100 0.152 0.000 0.950 52 T CB 0.470 69.403 68.868 0.107 0.000 1.090 52 T HN 0.937 nan 8.240 nan 0.000 0.503 53 V N -0.768 119.187 119.914 0.068 0.000 2.808 53 V HA 0.856 4.976 4.120 -0.000 0.000 0.308 53 V C -1.312 174.697 176.094 -0.143 0.000 1.099 53 V CA -0.949 61.350 62.300 -0.003 0.000 0.920 53 V CB 2.174 33.980 31.823 -0.027 0.000 1.014 53 V HN -0.168 nan 8.190 nan 0.000 0.425 54 V N 4.682 124.477 119.914 -0.198 0.000 2.448 54 V HA 0.633 4.753 4.120 -0.000 0.000 0.295 54 V C -0.190 175.751 176.094 -0.255 0.000 1.025 54 V CA -0.509 61.608 62.300 -0.304 0.000 0.859 54 V CB 1.815 33.388 31.823 -0.416 0.000 0.988 54 V HN 0.847 nan 8.190 nan 0.000 0.431 55 V N 6.050 125.754 119.914 -0.349 0.000 2.459 55 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 55 V C -0.499 175.493 176.094 -0.170 0.000 1.029 55 V CA -0.651 61.499 62.300 -0.250 0.000 0.874 55 V CB 1.692 33.292 31.823 -0.371 0.000 0.985 55 V HN 0.550 nan 8.190 nan 0.000 0.438 56 L N 5.268 126.442 121.223 -0.082 0.000 2.282 56 L HA 0.595 4.935 4.340 -0.000 0.000 0.288 56 L C 0.123 176.970 176.870 -0.039 0.000 1.033 56 L CA 0.230 54.958 54.840 -0.186 0.000 0.807 56 L CB 1.216 43.244 42.059 -0.050 0.000 1.209 56 L HN 0.709 nan 8.230 nan 0.000 0.423 57 E N 1.363 121.380 120.200 -0.303 0.000 2.367 57 E HA 0.741 5.091 4.350 -0.000 0.000 0.273 57 E C -0.522 175.849 176.600 -0.383 0.000 0.903 57 E CA -0.865 55.477 56.400 -0.097 0.000 0.764 57 E CB 2.324 31.985 29.700 -0.064 0.000 1.252 57 E HN 0.650 nan 8.360 nan 0.000 0.446 58 G N 0.609 109.353 108.800 -0.094 0.000 3.209 58 G HA2 0.513 4.473 3.960 -0.000 0.000 0.236 58 G HA3 0.513 4.473 3.960 -0.000 0.000 0.236 58 G C -0.890 174.010 174.900 0.000 0.000 1.329 58 G CA -0.571 44.469 45.100 -0.099 0.000 1.015 58 G HN 0.146 nan 8.290 nan 0.000 0.571 59 L N 0.716 121.959 121.223 0.032 0.000 2.466 59 L HA 0.319 4.659 4.340 -0.000 0.000 0.257 59 L C -1.105 175.776 176.870 0.019 0.000 1.189 59 L CA -2.066 52.793 54.840 0.032 0.000 0.813 59 L CB 0.850 42.922 42.059 0.022 0.000 1.118 59 L HN 0.246 nan 8.230 nan 0.000 0.471 60 P HA -0.164 nan 4.420 nan 0.000 0.217 60 P C 0.612 177.911 177.300 -0.003 0.000 1.148 60 P CA 1.370 64.465 63.100 -0.009 0.000 0.828 60 P CB 0.452 32.148 31.700 -0.008 0.000 0.783 61 E N -1.844 118.356 120.200 0.000 0.000 2.307 61 E HA 0.137 4.487 4.350 -0.000 0.000 0.195 61 E C 0.325 176.935 176.600 0.016 0.000 0.975 61 E CA 0.135 56.533 56.400 -0.003 0.000 0.878 61 E CB 0.166 29.854 29.700 -0.021 0.000 0.845 61 E HN 0.021 nan 8.360 nan 0.000 0.488 62 V N 0.783 120.720 119.914 0.038 0.000 2.668 62 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 62 V C -0.604 175.579 176.094 0.149 0.000 1.071 62 V CA -0.838 61.519 62.300 0.095 0.000 0.894 62 V CB 1.342 33.200 31.823 0.059 0.000 1.008 62 V HN 0.131 nan 8.190 nan 0.000 0.425 63 F N 5.960 125.938 119.950 0.046 0.000 2.059 63 F HA 0.393 4.920 4.527 -0.000 0.000 0.289 63 F C 0.796 176.710 175.800 0.191 0.000 1.128 63 F CA 1.314 59.364 58.000 0.083 0.000 1.181 63 F CB 0.331 39.355 39.000 0.040 0.000 1.012 63 F HN 0.619 nan 8.300 nan 0.000 0.473 64 C N 0.306 119.683 119.300 0.129 0.000 2.832 64 C HA 0.295 4.755 4.460 -0.000 0.000 0.383 64 C C 0.238 175.322 174.990 0.156 0.000 1.046 64 C CA -1.172 57.850 59.018 0.007 0.000 1.242 64 C CB -0.565 27.080 27.740 -0.158 0.000 1.693 64 C HN 0.507 nan 8.230 nan 0.000 0.497 65 F N 4.484 124.425 119.950 -0.015 0.000 2.765 65 F HA 0.471 4.998 4.527 -0.000 0.000 0.302 65 F C 1.409 177.206 175.800 -0.006 0.000 1.111 65 F CA 1.644 59.638 58.000 -0.009 0.000 1.359 65 F CB 0.146 39.121 39.000 -0.040 0.000 1.097 65 F HN 1.191 nan 8.300 nan 0.000 0.577 66 G N 0.286 109.123 108.800 0.062 0.000 2.472 66 G HA2 0.062 4.022 3.960 -0.000 0.000 0.205 66 G HA3 0.062 4.022 3.960 -0.000 0.000 0.205 66 G C -0.336 174.613 174.900 0.081 0.000 1.270 66 G CA -0.640 44.492 45.100 0.053 0.000 0.974 66 G HN 0.617 nan 8.290 nan 0.000 0.542 67 A N -0.054 122.830 122.820 0.106 0.000 2.540 67 A HA 0.445 4.765 4.320 -0.000 0.000 0.239 67 A C 0.498 178.206 177.584 0.207 0.000 1.061 67 A CA 1.165 53.295 52.037 0.156 0.000 0.758 67 A CB 0.228 19.401 19.000 0.289 0.000 0.991 67 A HN 1.016 nan 8.150 nan 0.000 0.502 68 D N 2.679 123.179 120.400 0.167 0.000 2.435 68 D HA 0.215 4.855 4.640 -0.000 0.000 0.230 68 D C 0.440 176.927 176.300 0.311 0.000 1.215 68 D CA -0.213 53.895 54.000 0.180 0.000 0.947 68 D CB -0.378 40.472 40.800 0.084 0.000 1.048 68 D HN 0.354 nan 8.370 nan 0.000 0.512 69 F N 1.665 121.655 119.950 0.066 0.000 2.134 69 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 69 F C 2.361 178.234 175.800 0.123 0.000 1.097 69 F CA 0.961 59.018 58.000 0.095 0.000 1.264 69 F CB -0.549 38.511 39.000 0.100 0.000 1.001 69 F HN 0.445 nan 8.300 nan 0.000 0.479 70 Q N -0.353 119.620 119.800 0.290 0.000 2.077 70 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 70 Q C 2.283 178.398 176.000 0.192 0.000 0.989 70 Q CA 1.971 57.881 55.803 0.179 0.000 0.853 70 Q CB -0.372 28.424 28.738 0.097 0.000 0.907 70 Q HN 0.479 nan 8.270 nan 0.000 0.418 71 E N 0.405 120.692 120.200 0.145 0.000 2.152 71 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 71 E C 1.921 178.572 176.600 0.085 0.000 0.983 71 E CA 0.423 56.882 56.400 0.098 0.000 0.818 71 E CB 0.052 29.785 29.700 0.054 0.000 0.758 71 E HN 0.365 nan 8.360 nan 0.000 0.467 72 I N 0.556 121.181 120.570 0.092 0.000 2.361 72 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 72 I C 2.301 178.459 176.117 0.068 0.000 1.133 72 I CA 0.915 62.234 61.300 0.031 0.000 1.413 72 I CB -0.294 37.693 38.000 -0.022 0.000 1.073 72 I HN 0.206 nan 8.210 nan 0.000 0.424 73 Y N 1.713 122.019 120.300 0.009 0.000 2.163 73 Y HA -0.271 4.279 4.550 -0.000 0.000 0.288 73 Y C 2.664 178.568 175.900 0.008 0.000 1.136 73 Y CA 1.565 59.674 58.100 0.016 0.000 1.147 73 Y CB -0.139 38.348 38.460 0.045 0.000 0.987 73 Y HN 0.126 nan 8.280 nan 0.000 0.509 74 Q N 1.064 120.910 119.800 0.077 0.000 2.170 74 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 74 Q C 0.628 176.584 176.000 -0.074 0.000 0.976 74 Q CA 1.195 56.989 55.803 -0.015 0.000 0.858 74 Q CB -0.382 28.392 28.738 0.060 0.000 0.907 74 Q HN 0.642 nan 8.270 nan 0.000 0.433 78 R N 0.945 121.383 120.500 -0.104 0.000 2.081 78 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 78 R C 1.286 177.553 176.300 -0.056 0.000 1.131 78 R CA 2.593 58.655 56.100 -0.064 0.000 0.960 78 R CB 0.122 30.392 30.300 -0.050 0.000 0.856 78 R HN 0.328 nan 8.270 nan 0.000 0.436 79 G N -0.190 108.573 108.800 -0.061 0.000 2.813 79 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.194 79 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.194 79 G C -0.373 174.502 174.900 -0.042 0.000 1.010 79 G CA -0.108 44.963 45.100 -0.048 0.000 0.771 79 G HN 0.348 nan 8.290 nan 0.000 0.485 80 R N 1.746 122.220 120.500 -0.043 0.000 2.730 80 R HA 0.243 4.583 4.340 -0.000 0.000 0.327 80 R C 0.086 176.367 176.300 -0.032 0.000 0.825 80 R CA 0.658 56.736 56.100 -0.037 0.000 1.130 80 R CB -0.096 30.180 30.300 -0.041 0.000 0.883 80 R HN 0.300 nan 8.270 nan 0.000 0.407 81 K N 3.875 124.260 120.400 -0.024 0.000 2.090 81 K HA 0.281 4.601 4.320 -0.000 0.000 0.249 81 K C -0.700 175.891 176.600 -0.014 0.000 0.995 81 K CA -0.414 55.864 56.287 -0.016 0.000 0.914 81 K CB 0.871 33.363 32.500 -0.013 0.000 1.057 81 K HN 0.686 nan 8.250 nan 0.000 0.462 82 Q N -1.086 118.712 119.800 -0.005 0.000 3.192 82 Q HA -0.181 4.159 4.340 -0.000 0.000 0.031 82 Q C -0.910 175.082 176.000 -0.013 0.000 1.686 82 Q CA 0.678 56.479 55.803 -0.002 0.000 0.259 82 Q CB -1.441 27.293 28.738 -0.007 0.000 0.583 82 Q HN 0.674 nan 8.270 nan 0.000 0.322 83 A N 2.736 125.555 122.820 -0.002 0.000 2.407 83 A HA 0.516 4.836 4.320 -0.000 0.000 0.248 83 A C 0.543 178.085 177.584 -0.069 0.000 1.082 83 A CA 0.321 52.332 52.037 -0.044 0.000 0.785 83 A CB 1.200 20.193 19.000 -0.012 0.000 1.020 83 A HN 0.937 nan 8.150 nan 0.000 0.489 84 S N 0.848 116.481 115.700 -0.112 0.000 2.573 84 S HA 0.251 4.721 4.470 -0.000 0.000 0.277 84 S C 0.716 175.257 174.600 -0.097 0.000 1.346 84 S CA 0.163 58.305 58.200 -0.098 0.000 1.034 84 S CB 0.232 63.364 63.200 -0.113 0.000 0.879 84 S HN 1.074 nan 8.310 nan 0.000 0.528 85 S N 1.685 117.342 115.700 -0.072 0.000 2.565 85 S HA 0.216 4.686 4.470 -0.000 0.000 0.276 85 S C 0.277 174.829 174.600 -0.080 0.000 1.326 85 S CA -0.507 57.656 58.200 -0.062 0.000 1.045 85 S CB 0.388 63.561 63.200 -0.045 0.000 0.918 85 S HN 0.749 nan 8.310 nan 0.000 0.505 86 Q N 2.655 122.411 119.800 -0.073 0.000 2.211 86 Q HA 0.130 4.470 4.340 -0.000 0.000 0.231 86 Q C 1.090 177.056 176.000 -0.057 0.000 0.865 86 Q CA -0.025 55.722 55.803 -0.093 0.000 0.997 86 Q CB 0.221 28.905 28.738 -0.089 0.000 1.101 86 Q HN 0.917 nan 8.270 nan 0.000 0.468 87 E N 1.327 121.503 120.200 -0.039 0.000 2.106 87 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 87 E C -0.926 175.671 176.600 -0.005 0.000 0.984 87 E CA 0.875 57.272 56.400 -0.004 0.000 0.806 87 E CB -0.105 29.585 29.700 -0.017 0.000 0.750 87 E HN 0.178 nan 8.360 nan 0.000 0.458 88 P HA -0.118 nan 4.420 nan 0.000 0.218 88 P C 1.337 178.546 177.300 -0.151 0.000 1.149 88 P CA 0.760 63.820 63.100 -0.067 0.000 0.817 88 P CB 0.017 31.676 31.700 -0.069 0.000 0.785 89 L N -1.994 119.077 121.223 -0.254 0.000 2.109 89 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 89 L C 2.246 178.716 176.870 -0.667 0.000 1.086 89 L CA 1.687 56.182 54.840 -0.575 0.000 0.760 89 L CB -1.366 40.275 42.059 -0.696 0.000 0.910 89 L HN -0.105 nan 8.230 nan 0.000 0.437 90 Y N 0.319 120.405 120.300 -0.357 0.000 2.181 90 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 90 Y C 2.295 178.230 175.900 0.059 0.000 1.146 90 Y CA 2.075 60.140 58.100 -0.059 0.000 1.164 90 Y CB -0.056 38.444 38.460 0.067 0.000 0.982 90 Y HN 0.304 nan 8.280 nan 0.000 0.515 91 D N 0.001 120.497 120.400 0.160 0.000 2.144 91 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 91 D C 2.317 178.661 176.300 0.073 0.000 0.978 91 D CA 1.042 55.128 54.000 0.144 0.000 0.833 91 D CB -0.435 40.424 40.800 0.098 0.000 0.961 91 D HN 0.395 nan 8.370 nan 0.000 0.470 92 L N 0.031 121.225 121.223 -0.048 0.000 2.017 92 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 92 L C 0.843 177.747 176.870 0.057 0.000 1.073 92 L CA 0.998 55.823 54.840 -0.025 0.000 0.745 92 L CB -0.005 41.969 42.059 -0.141 0.000 0.894 92 L HN 0.022 nan 8.230 nan 0.000 0.432 96 L N 1.587 122.956 121.223 0.243 0.000 2.141 96 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 96 L C 2.133 179.137 176.870 0.224 0.000 1.094 96 L CA 1.381 56.376 54.840 0.258 0.000 0.763 96 L CB -0.125 42.061 42.059 0.212 0.000 0.908 96 L HN 0.301 nan 8.230 nan 0.000 0.437 97 Q N -0.982 118.933 119.800 0.193 0.000 2.331 97 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 97 Q C 1.803 177.863 176.000 0.099 0.000 0.944 97 Q CA 1.628 57.525 55.803 0.156 0.000 0.892 97 Q CB 0.333 29.189 28.738 0.197 0.000 0.983 97 Q HN 0.602 nan 8.270 nan 0.000 0.482 98 T N -4.597 110.012 114.554 0.091 0.000 2.975 98 T HA 0.227 4.577 4.350 -0.000 0.000 0.261 98 T C 0.876 175.537 174.700 -0.066 0.000 0.984 98 T CA 0.107 62.215 62.100 0.013 0.000 0.911 98 T CB 0.455 69.337 68.868 0.022 0.000 1.127 98 T HN 0.117 nan 8.240 nan 0.000 0.514 99 G N 3.191 111.941 108.800 -0.083 0.000 2.690 99 G HA2 0.414 4.374 3.960 -0.000 0.000 0.239 99 G HA3 0.414 4.374 3.960 -0.000 0.000 0.239 99 G C -2.111 172.336 174.900 -0.755 0.000 1.233 99 G CA -1.110 43.701 45.100 -0.481 0.000 0.847 99 G HN 0.228 nan 8.290 nan 0.000 0.588 100 P HA 0.201 nan 4.420 nan 0.000 0.225 100 P C -1.499 175.534 177.300 -0.446 0.000 1.813 100 P CA 0.146 62.944 63.100 -0.502 0.000 1.013 100 P CB -0.627 30.895 31.700 -0.297 0.000 1.961 101 Y N -2.372 117.968 120.300 0.067 0.000 2.786 101 Y HA 0.271 4.821 4.550 -0.000 0.000 0.365 101 Y C -1.187 174.754 175.900 0.069 0.000 1.171 101 Y CA -2.065 56.074 58.100 0.065 0.000 1.214 101 Y CB 0.057 38.550 38.460 0.054 0.000 1.411 101 Y HN -0.259 nan 8.280 nan 0.000 0.485 102 V N 2.437 122.528 119.914 0.294 0.000 2.461 102 V HA 0.561 4.681 4.120 -0.000 0.000 0.275 102 V C 0.326 176.514 176.094 0.157 0.000 1.047 102 V CA 0.107 62.532 62.300 0.209 0.000 0.955 102 V CB 1.010 32.919 31.823 0.143 0.000 0.988 102 V HN 0.936 nan 8.190 nan 0.000 0.471 103 T N 3.806 118.453 114.554 0.155 0.000 2.867 103 T HA 0.813 5.163 4.350 -0.000 0.000 0.282 103 T C -0.627 174.106 174.700 0.055 0.000 1.000 103 T CA -0.551 61.598 62.100 0.081 0.000 1.042 103 T CB 1.294 70.238 68.868 0.127 0.000 0.973 103 T HN 0.381 nan 8.240 nan 0.000 0.465 104 I N 1.607 122.184 120.570 0.012 0.000 2.582 104 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 104 I C -0.187 175.948 176.117 0.030 0.000 1.066 104 I CA -0.981 60.320 61.300 0.001 0.000 1.053 104 I CB 2.564 40.535 38.000 -0.049 0.000 1.241 104 I HN 0.587 nan 8.210 nan 0.000 0.421 105 S N 3.360 119.082 115.700 0.037 0.000 2.422 105 S HA 0.268 4.738 4.470 -0.000 0.000 0.308 105 S C -0.597 173.992 174.600 -0.019 0.000 1.097 105 S CA -0.257 57.978 58.200 0.060 0.000 1.099 105 S CB 0.052 63.267 63.200 0.025 0.000 0.976 105 S HN 0.431 nan 8.310 nan 0.000 0.471 106 H N 3.980 122.995 119.070 -0.092 0.000 2.724 106 H HA 0.460 5.016 4.556 -0.000 0.000 0.278 106 H C -0.963 174.237 175.328 -0.212 0.000 1.159 106 H CA -0.798 55.190 56.048 -0.099 0.000 1.254 106 H CB -0.288 29.475 29.762 0.001 0.000 1.412 106 H HN 0.274 nan 8.280 nan 0.000 0.488 107 V N 7.320 127.120 119.914 -0.191 0.000 2.432 107 V HA 0.446 4.566 4.120 -0.000 0.000 0.275 107 V C 0.289 176.281 176.094 -0.171 0.000 1.043 107 V CA -0.498 61.523 62.300 -0.465 0.000 0.925 107 V CB 0.797 32.326 31.823 -0.490 0.000 0.985 107 V HN 0.686 nan 8.190 nan 0.000 0.466 108 R N 3.287 123.711 120.500 -0.127 0.000 2.575 108 R HA 0.697 5.037 4.340 -0.000 0.000 0.293 108 R C 0.437 176.713 176.300 -0.040 0.000 0.983 108 R CA -0.048 56.010 56.100 -0.071 0.000 0.887 108 R CB 2.079 32.329 30.300 -0.084 0.000 1.184 108 R HN 1.027 nan 8.270 nan 0.000 0.445 109 G N 2.520 111.281 108.800 -0.065 0.000 2.553 109 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.242 109 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.242 109 G C -0.849 173.987 174.900 -0.107 0.000 1.277 109 G CA -0.570 44.497 45.100 -0.055 0.000 0.910 109 G HN 0.508 nan 8.290 nan 0.000 0.576 110 K N -0.248 120.143 120.400 -0.016 0.000 2.350 110 K HA 0.506 4.826 4.320 -0.000 0.000 0.279 110 K C -0.201 176.421 176.600 0.038 0.000 1.027 110 K CA -0.227 56.067 56.287 0.012 0.000 0.969 110 K CB 1.529 34.155 32.500 0.209 0.000 0.954 110 K HN 0.514 nan 8.250 nan 0.000 0.474 111 V N 2.495 122.335 119.914 -0.125 0.000 2.577 111 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 111 V C -0.767 175.251 176.094 -0.127 0.000 1.042 111 V CA -0.991 61.284 62.300 -0.042 0.000 0.872 111 V CB 1.575 33.350 31.823 -0.080 0.000 0.998 111 V HN 0.860 nan 8.190 nan 0.000 0.423 112 N N 2.434 120.992 118.700 -0.236 0.000 2.277 112 N HA 0.637 5.377 4.740 -0.000 0.000 0.286 112 N C -0.093 175.256 175.510 -0.269 0.000 1.140 112 N CA 0.082 52.871 53.050 -0.434 0.000 0.799 112 N CB 2.012 39.753 38.487 -1.244 0.000 1.596 112 N HN 1.196 nan 8.380 nan 0.000 0.473 113 A N 1.512 124.231 122.820 -0.168 0.000 1.617 113 A HA 0.212 4.532 4.320 -0.000 0.000 0.240 113 A C 1.332 178.936 177.584 0.033 0.000 1.149 113 A CA 1.993 54.002 52.037 -0.047 0.000 0.833 113 A CB -1.972 16.992 19.000 -0.060 0.000 1.132 113 A HN 1.772 nan 8.150 nan 0.000 0.275 114 G N 0.211 109.067 108.800 0.094 0.000 3.330 114 G HA2 0.058 4.018 3.960 -0.000 0.000 0.197 114 G HA3 0.058 4.018 3.960 -0.000 0.000 0.197 114 G C 1.698 176.735 174.900 0.228 0.000 1.284 114 G CA 0.900 46.134 45.100 0.222 0.000 0.921 114 G HN 1.889 nan 8.290 nan 0.000 0.466 115 G N 0.994 109.908 108.800 0.190 0.000 2.450 115 G HA2 0.072 4.032 3.960 -0.000 0.000 0.220 115 G HA3 0.072 4.032 3.960 -0.000 0.000 0.220 115 G C 1.795 176.851 174.900 0.260 0.000 1.130 115 G CA 1.582 46.869 45.100 0.311 0.000 0.760 115 G HN 0.631 nan 8.290 nan 0.000 0.557 116 L N 1.438 122.728 121.223 0.111 0.000 2.187 116 L HA 0.057 4.397 4.340 -0.000 0.000 0.213 116 L C 3.002 179.731 176.870 -0.235 0.000 1.100 116 L CA 1.531 56.394 54.840 0.039 0.000 0.765 116 L CB -0.711 41.376 42.059 0.046 0.000 0.904 116 L HN 0.241 nan 8.230 nan 0.000 0.437 117 G N -1.306 107.142 108.800 -0.587 0.000 2.418 117 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 117 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 117 G C 1.561 175.426 174.900 -1.726 0.000 1.158 117 G CA 0.634 44.704 45.100 -1.717 0.000 0.771 117 G HN 0.315 nan 8.290 nan 0.000 0.545 118 F N 0.334 119.793 119.950 -0.817 0.000 2.113 118 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 118 F C 2.904 178.642 175.800 -0.103 0.000 1.103 118 F CA 0.822 58.650 58.000 -0.288 0.000 1.248 118 F CB -0.330 38.832 39.000 0.270 0.000 0.999 118 F HN -0.034 nan 8.300 nan 0.000 0.475 119 V N -0.903 119.132 119.914 0.202 0.000 2.295 119 V HA -0.294 3.825 4.120 -0.000 0.000 0.246 119 V C 2.193 178.274 176.094 -0.021 0.000 1.049 119 V CA 2.241 64.609 62.300 0.113 0.000 1.024 119 V CB -0.842 31.067 31.823 0.143 0.000 0.648 119 V HN 0.274 nan 8.190 nan 0.000 0.447 120 S N 0.161 115.789 115.700 -0.120 0.000 2.406 120 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 120 S C 2.111 176.655 174.600 -0.093 0.000 1.020 120 S CA 1.149 59.287 58.200 -0.103 0.000 0.965 120 S CB -0.313 62.828 63.200 -0.099 0.000 0.798 120 S HN 0.638 nan 8.310 nan 0.000 0.488 121 A N 1.690 124.346 122.820 -0.273 0.000 2.016 121 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 121 A C 1.535 179.111 177.584 -0.012 0.000 1.162 121 A CA 0.974 52.885 52.037 -0.211 0.000 0.662 121 A CB -0.982 17.605 19.000 -0.689 0.000 0.812 121 A HN 0.546 nan 8.150 nan 0.000 0.450 122 T N -2.002 112.564 114.554 0.021 0.000 2.900 122 T HA 0.138 4.487 4.350 -0.000 0.000 0.307 122 T C 0.379 175.127 174.700 0.080 0.000 1.065 122 T CA 0.089 62.240 62.100 0.085 0.000 1.105 122 T CB 0.690 69.618 68.868 0.101 0.000 0.979 122 T HN 0.256 nan 8.240 nan 0.000 0.544 123 D N 0.696 121.157 120.400 0.102 0.000 2.149 123 D HA 0.011 4.651 4.640 -0.000 0.000 0.198 123 D C 0.745 177.096 176.300 0.085 0.000 0.990 123 D CA 1.326 55.389 54.000 0.106 0.000 0.839 123 D CB 0.072 40.953 40.800 0.135 0.000 0.948 123 D HN 0.584 nan 8.370 nan 0.000 0.460 124 I N -0.409 120.198 120.570 0.063 0.000 2.730 124 I HA 0.477 4.647 4.170 -0.000 0.000 0.298 124 I C -0.846 175.267 176.117 -0.007 0.000 1.089 124 I CA -1.010 60.310 61.300 0.032 0.000 1.041 124 I CB 2.497 40.516 38.000 0.031 0.000 1.235 124 I HN -0.246 nan 8.210 nan 0.000 0.423 125 A N 6.819 129.622 122.820 -0.029 0.000 2.353 125 A HA 0.865 5.185 4.320 -0.000 0.000 0.299 125 A C -0.854 176.691 177.584 -0.065 0.000 1.089 125 A CA -0.460 51.549 52.037 -0.047 0.000 0.736 125 A CB 1.097 20.075 19.000 -0.037 0.000 1.195 125 A HN 0.718 nan 8.150 nan 0.000 0.447 126 I N -0.621 119.899 120.570 -0.083 0.000 2.785 126 I HA 1.000 5.170 4.170 -0.000 0.000 0.302 126 I C -0.253 175.889 176.117 0.041 0.000 1.069 126 I CA -1.023 60.242 61.300 -0.059 0.000 1.045 126 I CB 2.352 40.219 38.000 -0.220 0.000 1.236 126 I HN 0.780 nan 8.210 nan 0.000 0.429 127 A N 2.895 125.792 122.820 0.129 0.000 2.569 127 A HA 0.751 5.071 4.320 -0.000 0.000 0.290 127 A C -1.507 176.207 177.584 0.216 0.000 1.136 127 A CA -0.521 51.616 52.037 0.167 0.000 0.710 127 A CB 1.560 20.668 19.000 0.180 0.000 1.303 127 A HN 0.901 nan 8.150 nan 0.000 0.413 128 D N -0.864 119.642 120.400 0.177 0.000 2.564 128 D HA 0.275 4.915 4.640 -0.000 0.000 0.273 128 D C 0.462 176.878 176.300 0.195 0.000 1.192 128 D CA -0.362 53.745 54.000 0.178 0.000 1.080 128 D CB 0.262 41.138 40.800 0.126 0.000 1.160 128 D HN 0.409 nan 8.370 nan 0.000 0.607 129 Q N -1.124 118.783 119.800 0.179 0.000 2.488 129 Q HA -0.027 4.313 4.340 -0.000 0.000 0.211 129 Q C 1.329 177.372 176.000 0.073 0.000 0.967 129 Q CA 1.239 57.144 55.803 0.170 0.000 0.926 129 Q CB -0.199 28.633 28.738 0.156 0.000 0.992 129 Q HN 0.750 nan 8.270 nan 0.000 0.506 130 T N -2.681 111.897 114.554 0.041 0.000 3.067 130 T HA 0.288 4.638 4.350 -0.000 0.000 0.257 130 T C 0.955 175.622 174.700 -0.055 0.000 1.105 130 T CA 0.211 62.310 62.100 -0.002 0.000 1.104 130 T CB 0.100 68.965 68.868 -0.004 0.000 0.925 130 T HN 0.175 nan 8.240 nan 0.000 0.498 131 A N 1.288 124.062 122.820 -0.076 0.000 2.540 131 A HA 0.515 4.835 4.320 -0.000 0.000 0.239 131 A C 0.431 177.835 177.584 -0.300 0.000 1.061 131 A CA -0.119 51.774 52.037 -0.240 0.000 0.758 131 A CB -0.087 18.798 19.000 -0.192 0.000 0.991 131 A HN 0.473 nan 8.150 nan 0.000 0.502 132 S N 0.763 116.139 115.700 -0.541 0.000 2.549 132 S HA 0.817 5.287 4.470 -0.000 0.000 0.280 132 S C -1.414 172.802 174.600 -0.641 0.000 1.109 132 S CA -0.549 57.440 58.200 -0.352 0.000 0.905 132 S CB 0.497 63.611 63.200 -0.143 0.000 1.081 132 S HN 0.561 nan 8.310 nan 0.000 0.477 133 F N 2.152 122.064 119.950 -0.062 0.000 2.539 133 F HA 0.656 5.183 4.527 -0.000 0.000 0.318 133 F C 0.290 176.060 175.800 -0.051 0.000 1.135 133 F CA -0.574 57.394 58.000 -0.052 0.000 0.915 133 F CB 2.183 41.149 39.000 -0.057 0.000 1.176 133 F HN 0.548 nan 8.300 nan 0.000 0.440 134 S N 2.452 118.197 115.700 0.074 0.000 2.564 134 S HA 0.850 5.320 4.470 -0.000 0.000 0.274 134 S C -1.807 172.782 174.600 -0.018 0.000 1.124 134 S CA -0.754 57.456 58.200 0.017 0.000 0.869 134 S CB 2.145 65.325 63.200 -0.033 0.000 1.105 134 S HN 0.434 nan 8.310 nan 0.000 0.472 135 L N 3.264 124.488 121.223 0.001 0.000 2.417 135 L HA 0.500 4.840 4.340 -0.000 0.000 0.259 135 L C 1.050 177.918 176.870 -0.004 0.000 1.023 135 L CA -0.010 54.833 54.840 0.006 0.000 0.901 135 L CB 0.976 43.061 42.059 0.043 0.000 1.227 135 L HN 1.041 nan 8.230 nan 0.000 0.454 136 S N -0.424 115.265 115.700 -0.019 0.000 2.517 136 S HA 0.057 4.527 4.470 -0.000 0.000 0.214 136 S C 1.188 175.844 174.600 0.094 0.000 0.991 136 S CA -0.250 57.959 58.200 0.016 0.000 0.906 136 S CB 0.100 63.306 63.200 0.010 0.000 0.789 136 S HN 0.461 nan 8.310 nan 0.000 0.513 137 E N 1.905 122.162 120.200 0.096 0.000 2.169 137 E HA -0.169 4.181 4.350 -0.000 0.000 0.202 137 E C 1.711 178.409 176.600 0.162 0.000 1.016 137 E CA 0.845 57.346 56.400 0.169 0.000 0.817 137 E CB -0.637 29.137 29.700 0.123 0.000 0.736 137 E HN 0.450 nan 8.360 nan 0.000 0.462 138 L N 0.619 121.887 121.223 0.075 0.000 2.353 138 L HA -0.095 4.245 4.340 -0.000 0.000 0.220 138 L C 2.138 178.931 176.870 -0.129 0.000 1.133 138 L CA 1.001 55.844 54.840 0.004 0.000 0.798 138 L CB -0.398 41.652 42.059 -0.015 0.000 0.922 138 L HN 0.087 nan 8.230 nan 0.000 0.445 139 L N -2.234 118.893 121.223 -0.160 0.000 2.275 139 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 139 L C 1.449 177.718 176.870 -1.001 0.000 1.119 139 L CA 0.891 55.464 54.840 -0.445 0.000 0.790 139 L CB -0.379 41.447 42.059 -0.389 0.000 0.919 139 L HN 0.183 nan 8.230 nan 0.000 0.443 140 F N -0.637 118.975 119.950 -0.564 0.000 2.727 140 F HA 0.287 4.814 4.527 -0.000 0.000 0.302 140 F C 1.687 177.238 175.800 -0.414 0.000 1.097 140 F CA 0.398 57.995 58.000 -0.673 0.000 1.330 140 F CB 0.279 39.285 39.000 0.009 0.000 1.084 140 F HN 0.095 nan 8.300 nan 0.000 0.578 141 G N 1.075 109.750 108.800 -0.209 0.000 2.143 141 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 141 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 141 G C -0.097 174.810 174.900 0.011 0.000 0.991 141 G CA -0.006 45.051 45.100 -0.072 0.000 0.689 141 G HN 0.290 nan 8.290 nan 0.000 0.522 142 L N -0.621 120.609 121.223 0.011 0.000 2.319 142 L HA 0.868 5.208 4.340 -0.000 0.000 0.267 142 L C 0.185 177.121 176.870 0.110 0.000 1.011 142 L CA -1.787 53.000 54.840 -0.088 0.000 0.818 142 L CB 1.643 43.547 42.059 -0.257 0.000 1.316 142 L HN 0.246 nan 8.230 nan 0.000 0.432 143 Y N -0.776 119.519 120.300 -0.008 0.000 2.576 143 Y HA 0.574 5.124 4.550 -0.000 0.000 0.346 143 Y C -2.539 173.416 175.900 0.093 0.000 1.018 143 Y CA -3.177 54.947 58.100 0.040 0.000 1.050 143 Y CB 0.088 38.572 38.460 0.039 0.000 1.280 143 Y HN 0.294 nan 8.280 nan 0.000 0.474 144 P HA 0.160 nan 4.420 nan 0.000 0.226 144 P C 0.564 178.020 177.300 0.260 0.000 1.783 144 P CA 0.401 63.629 63.100 0.213 0.000 0.980 144 P CB 0.135 31.945 31.700 0.184 0.000 1.967 145 A N 0.926 123.880 122.820 0.223 0.000 1.884 145 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 145 A C 2.231 180.013 177.584 0.329 0.000 1.197 145 A CA 1.976 54.173 52.037 0.265 0.000 0.637 145 A CB -1.458 17.614 19.000 0.120 0.000 0.827 145 A HN 0.453 nan 8.150 nan 0.000 0.450 146 C N -1.522 118.003 119.300 0.375 0.000 2.446 146 C HA 0.054 4.514 4.460 -0.000 0.000 0.279 146 C C 2.720 178.101 174.990 0.652 0.000 1.366 146 C CA 0.755 60.129 59.018 0.593 0.000 1.763 146 C CB -1.189 26.860 27.740 0.516 0.000 1.929 146 C HN 0.461 nan 8.230 nan 0.000 0.509 147 V N 0.436 120.625 119.914 0.458 0.000 2.346 147 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 147 V C 2.446 178.684 176.094 0.240 0.000 1.037 147 V CA 1.299 63.750 62.300 0.250 0.000 1.029 147 V CB -0.614 31.283 31.823 0.123 0.000 0.663 147 V HN 0.337 nan 8.190 nan 0.000 0.454 148 L N 0.158 121.519 121.223 0.230 0.000 2.010 148 L HA -0.189 4.151 4.340 -0.000 0.000 0.219 148 L C 0.297 177.242 176.870 0.125 0.000 1.077 148 L CA 2.739 57.680 54.840 0.168 0.000 0.773 148 L CB -2.862 39.300 42.059 0.171 0.000 0.892 148 L HN 0.312 nan 8.230 nan 0.000 0.436 149 P HA -0.190 nan 4.420 nan 0.000 0.216 149 P C 1.875 179.103 177.300 -0.119 0.000 1.153 149 P CA 1.508 64.588 63.100 -0.033 0.000 0.858 149 P CB -0.123 31.534 31.700 -0.072 0.000 0.789 150 F N -1.482 118.451 119.950 -0.028 0.000 2.146 150 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 150 F C 2.247 177.995 175.800 -0.088 0.000 1.096 150 F CA 0.799 58.740 58.000 -0.098 0.000 1.275 150 F CB -1.353 37.510 39.000 -0.228 0.000 1.008 150 F HN -0.161 nan 8.300 nan 0.000 0.480 151 L N 0.394 121.684 121.223 0.112 0.000 2.027 151 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 151 L C 2.104 178.994 176.870 0.033 0.000 1.074 151 L CA 1.637 56.506 54.840 0.049 0.000 0.745 151 L CB -0.739 41.349 42.059 0.049 0.000 0.898 151 L HN 0.117 nan 8.230 nan 0.000 0.433 152 I N -0.441 120.146 120.570 0.029 0.000 2.208 152 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 152 I C 2.740 178.851 176.117 -0.010 0.000 1.097 152 I CA 1.628 62.930 61.300 0.004 0.000 1.363 152 I CB -0.395 37.603 38.000 -0.003 0.000 1.051 152 I HN 0.352 nan 8.210 nan 0.000 0.413 153 R N 1.025 121.517 120.500 -0.012 0.000 2.105 153 R HA -0.195 4.144 4.340 -0.000 0.000 0.239 153 R C 2.398 178.696 176.300 -0.003 0.000 1.135 153 R CA 1.578 57.668 56.100 -0.017 0.000 0.967 153 R CB -0.110 30.175 30.300 -0.024 0.000 0.861 153 R HN 0.302 nan 8.270 nan 0.000 0.442 154 R N 0.175 120.681 120.500 0.009 0.000 2.055 154 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 154 R C 2.209 178.514 176.300 0.008 0.000 1.135 154 R CA 1.665 57.771 56.100 0.011 0.000 0.959 154 R CB -0.054 30.252 30.300 0.009 0.000 0.854 154 R HN 0.433 nan 8.270 nan 0.000 0.431 155 I N -2.977 117.595 120.570 0.005 0.000 4.018 155 I HA 0.392 4.562 4.170 -0.000 0.000 0.337 155 I C 0.225 176.307 176.117 -0.058 0.000 1.327 155 I CA -0.005 61.291 61.300 -0.007 0.000 1.100 155 I CB 0.765 38.784 38.000 0.031 0.000 1.025 155 I HN 0.149 nan 8.210 nan 0.000 0.396 156 G N 1.979 110.752 108.800 -0.045 0.000 2.733 156 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 156 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 156 G C 0.284 175.145 174.900 -0.064 0.000 1.373 156 G CA -0.185 44.878 45.100 -0.061 0.000 0.838 156 G HN 0.320 nan 8.290 nan 0.000 0.588 157 R N 0.317 120.780 120.500 -0.062 0.000 2.082 157 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 157 R C 2.684 178.954 176.300 -0.048 0.000 1.136 157 R CA 2.196 58.260 56.100 -0.059 0.000 0.935 157 R CB -0.455 29.794 30.300 -0.085 0.000 0.842 157 R HN 0.616 nan 8.270 nan 0.000 0.430 158 Q N 1.338 121.093 119.800 -0.074 0.000 2.077 158 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 158 Q C 1.797 177.763 176.000 -0.056 0.000 0.989 158 Q CA 1.897 57.672 55.803 -0.048 0.000 0.853 158 Q CB -0.083 28.594 28.738 -0.101 0.000 0.907 158 Q HN -0.002 nan 8.270 nan 0.000 0.418 159 K N -0.352 119.929 120.400 -0.197 0.000 2.057 159 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 159 K C 1.866 178.400 176.600 -0.110 0.000 1.049 159 K CA 1.361 57.436 56.287 -0.354 0.000 0.931 159 K CB -0.721 31.408 32.500 -0.619 0.000 0.714 159 K HN 0.308 nan 8.250 nan 0.000 0.440 160 A N 0.000 122.805 122.820 -0.025 0.000 1.972 160 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 160 A C 2.131 179.784 177.584 0.115 0.000 1.169 160 A CA 1.733 53.804 52.037 0.057 0.000 0.635 160 A CB -0.734 18.297 19.000 0.052 0.000 0.810 160 A HN 0.493 nan 8.150 nan 0.000 0.446 161 H N -2.640 116.428 119.070 -0.003 0.000 2.276 161 H HA -0.105 4.450 4.556 -0.000 0.000 0.301 161 H C 1.076 176.432 175.328 0.046 0.000 1.073 161 H CA 1.122 57.176 56.048 0.011 0.000 1.311 161 H CB -0.260 29.501 29.762 -0.003 0.000 1.379 161 H HN 0.459 nan 8.280 nan 0.000 0.494 168 K N 1.925 122.294 120.400 -0.052 0.000 2.098 168 K HA 0.805 5.125 4.320 -0.000 0.000 0.261 168 K C -3.137 173.464 176.600 0.003 0.000 0.987 168 K CA -2.160 54.115 56.287 -0.020 0.000 0.916 168 K CB -0.644 31.843 32.500 -0.022 0.000 1.039 168 K HN 0.012 nan 8.250 nan 0.000 0.455 169 P HA 0.216 nan 4.420 nan 0.000 0.275 169 P C -0.587 176.721 177.300 0.013 0.000 1.227 169 P CA -0.495 62.619 63.100 0.024 0.000 0.781 169 P CB 0.457 32.168 31.700 0.018 0.000 0.906 170 I N -1.291 119.290 120.570 0.019 0.000 2.707 170 I HA 0.633 4.803 4.170 -0.000 0.000 0.309 170 I C 0.287 176.385 176.117 -0.032 0.000 1.001 170 I CA -0.921 60.328 61.300 -0.085 0.000 1.129 170 I CB 2.003 39.833 38.000 -0.284 0.000 1.308 170 I HN 0.278 nan 8.210 nan 0.000 0.466 171 S N 3.010 118.640 115.700 -0.117 0.000 2.655 171 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 171 S C 0.926 175.464 174.600 -0.104 0.000 1.240 171 S CA -0.157 57.992 58.200 -0.086 0.000 0.986 171 S CB 1.701 64.828 63.200 -0.121 0.000 0.985 171 S HN 0.763 nan 8.310 nan 0.000 0.562 172 V N 0.885 120.728 119.914 -0.117 0.000 2.667 172 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 172 V C 2.199 177.886 176.094 -0.679 0.000 1.065 172 V CA 1.956 64.105 62.300 -0.252 0.000 1.083 172 V CB -1.054 30.608 31.823 -0.268 0.000 0.692 172 V HN 0.861 nan 8.190 nan 0.000 0.468 173 Q N 0.423 119.885 119.800 -0.564 0.000 2.046 173 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 173 Q C 2.145 177.908 176.000 -0.395 0.000 0.975 173 Q CA 2.353 57.870 55.803 -0.477 0.000 0.836 173 Q CB -0.317 28.302 28.738 -0.199 0.000 0.896 173 Q HN 0.758 nan 8.270 nan 0.000 0.428 174 E N 0.230 120.162 120.200 -0.447 0.000 2.072 174 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 174 E C 1.951 178.054 176.600 -0.829 0.000 0.985 174 E CA 0.901 56.878 56.400 -0.706 0.000 0.801 174 E CB -0.232 28.955 29.700 -0.855 0.000 0.750 174 E HN 0.369 nan 8.360 nan 0.000 0.452 175 A N 1.107 123.543 122.820 -0.640 0.000 1.940 175 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 175 A C 2.276 179.653 177.584 -0.345 0.000 1.176 175 A CA 1.897 53.601 52.037 -0.555 0.000 0.631 175 A CB -0.636 17.873 19.000 -0.817 0.000 0.814 175 A HN 0.237 nan 8.150 nan 0.000 0.446 176 S N -0.459 115.039 115.700 -0.338 0.000 2.355 176 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 176 S C 1.875 176.455 174.600 -0.033 0.000 1.031 176 S CA 1.585 59.697 58.200 -0.147 0.000 0.993 176 S CB -0.406 62.726 63.200 -0.114 0.000 0.859 176 S HN 0.653 nan 8.310 nan 0.000 0.453 177 E N -0.555 119.609 120.200 -0.060 0.000 2.153 177 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 177 E C 1.559 178.298 176.600 0.232 0.000 0.988 177 E CA 1.205 57.644 56.400 0.064 0.000 0.811 177 E CB -0.158 29.564 29.700 0.038 0.000 0.746 177 E HN 0.665 nan 8.360 nan 0.000 0.466 178 W N -0.286 120.975 121.300 -0.065 0.000 2.770 178 W HA 0.200 4.860 4.660 0.000 0.000 0.256 178 W C 1.506 177.987 176.519 -0.063 0.000 1.291 178 W CA 1.028 58.336 57.345 -0.061 0.000 1.396 178 W CB -0.087 29.329 29.460 -0.073 0.000 1.114 178 W HN 0.219 nan 8.180 nan 0.000 0.637 179 G N -0.203 108.681 108.800 0.141 0.000 2.163 179 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.213 179 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.213 179 G C 0.790 175.696 174.900 0.009 0.000 0.991 179 G CA 0.173 45.311 45.100 0.063 0.000 0.653 179 G HN 0.237 nan 8.290 nan 0.000 0.518 180 L N 0.342 121.540 121.223 -0.042 0.000 2.156 180 L HA 0.521 4.861 4.340 -0.000 0.000 0.208 180 L C 1.042 177.800 176.870 -0.187 0.000 1.095 180 L CA 1.324 56.075 54.840 -0.149 0.000 0.770 180 L CB 0.039 41.911 42.059 -0.311 0.000 0.914 180 L HN 0.377 nan 8.230 nan 0.000 0.439 181 I N -0.528 119.938 120.570 -0.174 0.000 2.509 181 I HA 0.188 4.358 4.170 -0.000 0.000 0.293 181 I C 0.509 176.622 176.117 -0.006 0.000 1.020 181 I CA -0.528 60.709 61.300 -0.105 0.000 1.088 181 I CB 1.768 39.689 38.000 -0.132 0.000 1.267 181 I HN -0.072 nan 8.210 nan 0.000 0.430 182 D N 4.461 124.875 120.400 0.023 0.000 2.194 182 D HA 0.114 4.754 4.640 -0.000 0.000 0.204 182 D C 0.429 176.800 176.300 0.118 0.000 0.964 182 D CA 0.878 54.918 54.000 0.067 0.000 0.846 182 D CB 0.561 41.401 40.800 0.067 0.000 0.962 182 D HN 0.572 nan 8.370 nan 0.000 0.490 183 A N -0.080 122.819 122.820 0.131 0.000 2.594 183 A HA 0.502 4.822 4.320 -0.000 0.000 0.296 183 A C -1.585 176.151 177.584 0.254 0.000 1.056 183 A CA -0.871 51.280 52.037 0.190 0.000 0.693 183 A CB 0.812 19.910 19.000 0.163 0.000 1.278 183 A HN 0.064 nan 8.150 nan 0.000 0.408 184 F N -0.196 119.763 119.950 0.015 0.000 2.664 184 F HA 0.971 5.498 4.527 -0.000 0.000 0.317 184 F C -0.927 174.887 175.800 0.023 0.000 1.108 184 F CA -1.063 56.947 58.000 0.017 0.000 0.957 184 F CB 1.467 40.484 39.000 0.027 0.000 1.365 184 F HN 0.721 nan 8.300 nan 0.000 0.475 185 D N -0.353 120.035 120.400 -0.019 0.000 2.722 185 D HA 0.512 5.152 4.640 -0.000 0.000 0.231 185 D C 0.179 176.500 176.300 0.035 0.000 1.218 185 D CA 0.024 53.955 54.000 -0.115 0.000 0.753 185 D CB 1.955 42.693 40.800 -0.103 0.000 1.471 185 D HN 0.883 nan 8.370 nan 0.000 0.455 186 A N 2.091 124.922 122.820 0.020 0.000 1.948 186 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 186 A C 0.679 178.292 177.584 0.048 0.000 1.177 186 A CA 1.333 53.399 52.037 0.049 0.000 0.636 186 A CB -0.255 18.762 19.000 0.029 0.000 0.815 186 A HN 0.554 nan 8.150 nan 0.000 0.449 187 E N 0.574 120.792 120.200 0.029 0.000 2.136 187 E HA 0.213 4.563 4.350 -0.000 0.000 0.246 187 E C 0.777 177.402 176.600 0.042 0.000 1.017 187 E CA 0.261 56.682 56.400 0.036 0.000 0.883 187 E CB 0.537 30.247 29.700 0.018 0.000 1.199 187 E HN 0.630 nan 8.360 nan 0.000 0.447 188 S N 1.494 117.244 115.700 0.085 0.000 2.423 188 S HA -0.176 4.294 4.470 -0.000 0.000 0.231 188 S C 1.267 175.853 174.600 -0.024 0.000 1.014 188 S CA 0.791 59.035 58.200 0.073 0.000 0.965 188 S CB 0.075 63.434 63.200 0.265 0.000 0.785 188 S HN 0.285 nan 8.310 nan 0.000 0.495 189 D N 1.544 121.984 120.400 0.067 0.000 2.144 189 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 189 D C 2.061 178.361 176.300 -0.000 0.000 0.984 189 D CA 0.956 54.983 54.000 0.044 0.000 0.834 189 D CB -0.355 40.497 40.800 0.087 0.000 0.955 189 D HN 0.342 nan 8.370 nan 0.000 0.465 190 V N 0.985 120.905 119.914 0.010 0.000 2.358 190 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 190 V C 2.465 178.567 176.094 0.013 0.000 1.047 190 V CA 0.861 63.167 62.300 0.010 0.000 1.035 190 V CB -0.360 31.468 31.823 0.008 0.000 0.658 190 V HN 0.137 nan 8.190 nan 0.000 0.452 191 L N -0.139 121.087 121.223 0.005 0.000 2.042 191 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 191 L C 2.206 179.124 176.870 0.080 0.000 1.076 191 L CA 1.948 56.816 54.840 0.046 0.000 0.749 191 L CB -0.714 41.350 42.059 0.008 0.000 0.893 191 L HN 0.316 nan 8.230 nan 0.000 0.432 192 L N -0.344 120.832 121.223 -0.078 0.000 1.994 192 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 192 L C 2.669 179.556 176.870 0.027 0.000 1.071 192 L CA 1.782 56.552 54.840 -0.117 0.000 0.745 192 L CB -0.706 41.187 42.059 -0.276 0.000 0.892 192 L HN 0.220 nan 8.230 nan 0.000 0.431 193 R N -0.537 119.982 120.500 0.032 0.000 2.105 193 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 193 R C 2.356 178.689 176.300 0.055 0.000 1.135 193 R CA 1.679 57.809 56.100 0.051 0.000 0.967 193 R CB -0.261 30.062 30.300 0.039 0.000 0.861 193 R HN 0.303 nan 8.270 nan 0.000 0.442 194 K N -0.786 119.651 120.400 0.061 0.000 2.097 194 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 194 K C 1.710 178.301 176.600 -0.015 0.000 1.049 194 K CA 1.570 57.868 56.287 0.019 0.000 0.933 194 K CB 0.000 32.504 32.500 0.007 0.000 0.717 194 K HN 0.277 nan 8.250 nan 0.000 0.442 195 H N -0.433 118.623 119.070 -0.024 0.000 2.403 195 H HA 0.050 4.606 4.556 -0.000 0.000 0.298 195 H C 1.625 176.946 175.328 -0.011 0.000 1.059 195 H CA 1.161 57.198 56.048 -0.019 0.000 1.363 195 H CB 0.089 29.835 29.762 -0.027 0.000 1.410 195 H HN 0.051 nan 8.280 nan 0.000 0.528 196 L N -0.235 121.055 121.223 0.112 0.000 2.141 196 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 196 L C 2.146 179.043 176.870 0.045 0.000 1.094 196 L CA 0.433 55.311 54.840 0.064 0.000 0.763 196 L CB -0.274 41.819 42.059 0.058 0.000 0.908 196 L HN 0.253 nan 8.230 nan 0.000 0.437 197 L N 0.163 121.406 121.223 0.033 0.000 1.976 197 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 197 L C 2.736 179.609 176.870 0.004 0.000 1.071 197 L CA 1.747 56.597 54.840 0.016 0.000 0.746 197 L CB -0.552 41.509 42.059 0.004 0.000 0.890 197 L HN 0.070 nan 8.230 nan 0.000 0.432 198 R N -0.516 119.975 120.500 -0.015 0.000 2.096 198 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 198 R C 2.261 178.559 176.300 -0.003 0.000 1.127 198 R CA 1.648 57.733 56.100 -0.024 0.000 0.968 198 R CB -0.638 29.625 30.300 -0.062 0.000 0.861 198 R HN 0.411 nan 8.270 nan 0.000 0.440 199 L N 0.250 121.484 121.223 0.017 0.000 2.456 199 L HA -0.089 4.251 4.340 -0.000 0.000 0.224 199 L C 2.349 179.239 176.870 0.034 0.000 1.148 199 L CA 0.850 55.711 54.840 0.034 0.000 0.825 199 L CB -0.225 41.867 42.059 0.054 0.000 0.937 199 L HN 0.135 nan 8.230 nan 0.000 0.450 200 R N 0.106 120.623 120.500 0.029 0.000 2.115 200 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 200 R C 1.899 178.214 176.300 0.025 0.000 1.111 200 R CA 0.796 56.915 56.100 0.031 0.000 0.976 200 R CB -0.128 30.189 30.300 0.029 0.000 0.870 200 R HN 0.338 nan 8.270 nan 0.000 0.445 201 R N 0.591 121.100 120.500 0.015 0.000 2.369 201 R HA 0.042 4.382 4.340 -0.000 0.000 0.200 201 R C 0.139 176.446 176.300 0.011 0.000 1.046 201 R CA 0.468 56.573 56.100 0.008 0.000 1.057 201 R CB -0.207 30.091 30.300 -0.003 0.000 0.888 201 R HN 0.133 nan 8.270 nan 0.000 0.474 202 L N 0.456 121.692 121.223 0.022 0.000 2.303 202 L HA 0.354 4.694 4.340 -0.000 0.000 0.266 202 L C -0.327 176.569 176.870 0.042 0.000 1.011 202 L CA -1.391 53.465 54.840 0.028 0.000 0.818 202 L CB 1.719 43.799 42.059 0.035 0.000 1.326 202 L HN 0.045 nan 8.230 nan 0.000 0.435 203 N N -1.200 117.529 118.700 0.049 0.000 2.328 203 N HA 0.285 5.025 4.740 -0.000 0.000 0.299 203 N C 0.114 175.671 175.510 0.078 0.000 1.179 203 N CA -0.990 52.095 53.050 0.058 0.000 0.793 203 N CB 1.710 40.225 38.487 0.048 0.000 1.366 203 N HN 0.493 nan 8.380 nan 0.000 0.493 204 K N 0.555 121.005 120.400 0.083 0.000 2.074 204 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 204 K C 1.034 177.695 176.600 0.101 0.000 1.048 204 K CA 1.629 57.971 56.287 0.090 0.000 0.926 204 K CB -0.041 32.509 32.500 0.084 0.000 0.713 204 K HN 0.566 nan 8.250 nan 0.000 0.444 205 K N -0.795 119.676 120.400 0.118 0.000 2.057 205 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 205 K C 2.206 178.977 176.600 0.286 0.000 1.049 205 K CA 1.356 57.764 56.287 0.202 0.000 0.931 205 K CB -0.264 32.335 32.500 0.164 0.000 0.714 205 K HN 0.321 nan 8.250 nan 0.000 0.440 206 G N 1.633 110.532 108.800 0.164 0.000 2.421 206 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 206 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 206 G C 1.542 176.567 174.900 0.208 0.000 1.171 206 G CA 0.657 45.849 45.100 0.152 0.000 0.775 206 G HN 0.120 nan 8.290 nan 0.000 0.543 207 I N 1.424 122.098 120.570 0.173 0.000 2.127 207 I HA -0.215 3.955 4.170 -0.000 0.000 0.241 207 I C 3.334 179.552 176.117 0.169 0.000 1.075 207 I CA 1.095 62.512 61.300 0.194 0.000 1.334 207 I CB -0.301 37.785 38.000 0.144 0.000 1.040 207 I HN 0.252 nan 8.210 nan 0.000 0.405 208 A N 0.327 123.199 122.820 0.086 0.000 1.865 208 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 208 A C 2.083 179.638 177.584 -0.048 0.000 1.191 208 A CA 2.080 54.093 52.037 -0.039 0.000 0.623 208 A CB -1.151 17.776 19.000 -0.122 0.000 0.826 208 A HN 0.454 nan 8.150 nan 0.000 0.444 209 H N -2.772 116.341 119.070 0.072 0.000 2.353 209 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 209 H C 1.930 177.341 175.328 0.138 0.000 1.090 209 H CA 2.080 58.179 56.048 0.086 0.000 1.327 209 H CB -0.421 29.384 29.762 0.072 0.000 1.383 209 H HN 0.666 nan 8.280 nan 0.000 0.508 210 Y N 2.002 122.413 120.300 0.185 0.000 2.128 210 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 210 Y C 1.844 177.856 175.900 0.187 0.000 1.154 210 Y CA 1.577 59.781 58.100 0.173 0.000 1.149 210 Y CB -0.136 38.396 38.460 0.120 0.000 0.976 210 Y HN -0.003 nan 8.280 nan 0.000 0.505 211 K N -0.173 120.119 120.400 -0.180 0.000 2.148 211 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 211 K C 2.109 178.603 176.600 -0.176 0.000 1.050 211 K CA 1.571 57.688 56.287 -0.282 0.000 0.942 211 K CB -0.160 32.281 32.500 -0.100 0.000 0.724 211 K HN 0.523 nan 8.250 nan 0.000 0.446 212 Q N 0.014 119.768 119.800 -0.076 0.000 2.079 212 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 212 Q C 1.006 176.997 176.000 -0.016 0.000 0.974 212 Q CA 0.646 56.422 55.803 -0.045 0.000 0.840 212 Q CB -0.182 28.536 28.738 -0.032 0.000 0.898 212 Q HN 0.161 nan 8.270 nan 0.000 0.430 216 S N 2.385 117.921 115.700 -0.273 0.000 2.383 216 S HA 0.024 4.494 4.470 -0.000 0.000 0.229 216 S C 1.675 175.958 174.600 -0.528 0.000 1.030 216 S CA 1.203 59.247 58.200 -0.259 0.000 1.002 216 S CB -0.332 62.773 63.200 -0.159 0.000 0.829 216 S HN 0.344 nan 8.310 nan 0.000 0.467 217 L N 0.775 121.643 121.223 -0.593 0.000 2.072 217 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 217 L C 0.987 177.552 176.870 -0.508 0.000 1.079 217 L CA 0.851 55.366 54.840 -0.542 0.000 0.752 217 L CB -0.014 41.702 42.059 -0.571 0.000 0.906 217 L HN 0.284 nan 8.230 nan 0.000 0.436 218 D N -1.274 118.841 120.400 -0.474 0.000 2.414 218 D HA 0.071 4.711 4.640 -0.000 0.000 0.232 218 D C 0.279 176.385 176.300 -0.324 0.000 1.070 218 D CA -0.262 53.537 54.000 -0.336 0.000 0.839 218 D CB 0.845 41.523 40.800 -0.202 0.000 1.079 218 D HN 0.167 nan 8.370 nan 0.000 0.521 219 H N 2.629 121.652 119.070 -0.079 0.000 2.622 219 H HA -0.038 4.518 4.556 -0.000 0.000 0.269 219 H C 1.803 177.095 175.328 -0.061 0.000 0.977 219 H CA 0.327 56.337 56.048 -0.063 0.000 1.179 219 H CB 0.570 30.300 29.762 -0.053 0.000 1.458 219 H HN 0.633 nan 8.280 nan 0.000 0.531 220 Q N 1.053 120.866 119.800 0.021 0.000 2.156 220 Q HA -0.142 4.198 4.340 -0.000 0.000 0.211 220 Q C 1.546 177.521 176.000 -0.041 0.000 0.995 220 Q CA 2.421 58.215 55.803 -0.015 0.000 0.877 220 Q CB -0.574 28.137 28.738 -0.045 0.000 0.920 220 Q HN 0.127 nan 8.270 nan 0.000 0.416 221 V N 0.982 120.842 119.914 -0.090 0.000 2.283 221 V HA -0.235 3.885 4.120 -0.000 0.000 0.243 221 V C 2.618 178.711 176.094 -0.002 0.000 1.039 221 V CA 1.719 63.913 62.300 -0.177 0.000 1.016 221 V CB -0.724 30.863 31.823 -0.393 0.000 0.650 221 V HN 0.591 nan 8.190 nan 0.000 0.449 222 S N -0.026 115.699 115.700 0.040 0.000 2.359 222 S HA -0.282 4.188 4.470 -0.000 0.000 0.224 222 S C 2.187 176.806 174.600 0.031 0.000 1.035 222 S CA 2.049 60.300 58.200 0.086 0.000 1.018 222 S CB -0.284 62.974 63.200 0.095 0.000 0.876 222 S HN 0.542 nan 8.310 nan 0.000 0.448 223 R N 0.647 121.157 120.500 0.016 0.000 2.096 223 R HA 0.086 4.426 4.340 -0.000 0.000 0.235 223 R C 2.460 178.738 176.300 -0.037 0.000 1.127 223 R CA 1.321 57.411 56.100 -0.017 0.000 0.968 223 R CB -0.488 29.809 30.300 -0.005 0.000 0.861 223 R HN 0.510 nan 8.270 nan 0.000 0.440 224 A N 0.757 123.562 122.820 -0.025 0.000 2.167 224 A HA -0.077 4.242 4.320 -0.000 0.000 0.214 224 A C 1.828 179.327 177.584 -0.142 0.000 1.151 224 A CA 0.615 52.632 52.037 -0.034 0.000 0.735 224 A CB -0.264 18.748 19.000 0.021 0.000 0.802 224 A HN 0.228 nan 8.150 nan 0.000 0.467 225 K N 0.359 120.592 120.400 -0.278 0.000 2.015 225 K HA -0.244 4.076 4.320 -0.000 0.000 0.216 225 K C 2.112 178.435 176.600 -0.461 0.000 1.052 225 K CA 1.755 57.598 56.287 -0.740 0.000 0.937 225 K CB -0.396 31.793 32.500 -0.518 0.000 0.719 225 K HN 0.374 nan 8.250 nan 0.000 0.446 226 A N 0.326 123.004 122.820 -0.237 0.000 1.908 226 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 226 A C 2.214 179.737 177.584 -0.102 0.000 1.181 226 A CA 2.331 54.280 52.037 -0.145 0.000 0.627 226 A CB -1.068 17.877 19.000 -0.092 0.000 0.818 226 A HN 0.531 nan 8.150 nan 0.000 0.445 227 T N 0.259 114.766 114.554 -0.078 0.000 2.788 227 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 227 T C 2.193 176.895 174.700 0.003 0.000 1.044 227 T CA 1.483 63.569 62.100 -0.023 0.000 1.139 227 T CB -0.414 68.453 68.868 -0.002 0.000 0.867 227 T HN 0.597 nan 8.240 nan 0.000 0.454 228 A N 1.330 124.136 122.820 -0.024 0.000 1.898 228 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 228 A C 2.301 179.898 177.584 0.021 0.000 1.181 228 A CA 1.072 53.138 52.037 0.048 0.000 0.620 228 A CB -0.805 18.265 19.000 0.116 0.000 0.819 228 A HN 0.464 nan 8.150 nan 0.000 0.442 229 L N -0.834 120.349 121.223 -0.067 0.000 2.083 229 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 229 L C 2.740 179.602 176.870 -0.013 0.000 1.083 229 L CA 1.696 56.509 54.840 -0.045 0.000 0.752 229 L CB -0.889 41.111 42.059 -0.098 0.000 0.899 229 L HN 0.330 nan 8.230 nan 0.000 0.433 230 T N -0.139 114.408 114.554 -0.013 0.000 2.777 230 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 230 T C 2.019 176.736 174.700 0.028 0.000 1.040 230 T CA 1.270 63.374 62.100 0.006 0.000 1.141 230 T CB -0.130 68.741 68.868 0.006 0.000 0.868 230 T HN 0.438 nan 8.240 nan 0.000 0.444 231 A N 2.217 125.063 122.820 0.044 0.000 1.902 231 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 231 A C 2.275 179.835 177.584 -0.039 0.000 1.181 231 A CA 1.602 53.670 52.037 0.050 0.000 0.623 231 A CB -0.771 18.314 19.000 0.143 0.000 0.818 231 A HN 0.454 nan 8.150 nan 0.000 0.443 232 N N -0.452 118.251 118.700 0.004 0.000 2.069 232 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 232 N C 1.902 177.490 175.510 0.130 0.000 1.031 232 N CA 1.700 54.793 53.050 0.072 0.000 0.852 232 N CB -0.305 38.242 38.487 0.099 0.000 1.018 232 N HN 0.487 nan 8.380 nan 0.000 0.423 233 Q N 0.700 120.543 119.800 0.071 0.000 1.975 233 Q HA -0.093 4.247 4.340 -0.000 0.000 0.205 233 Q C 0.063 176.102 176.000 0.065 0.000 0.990 233 Q CA 1.050 56.895 55.803 0.069 0.000 0.845 233 Q CB -0.824 27.932 28.738 0.031 0.000 0.913 233 Q HN 0.459 nan 8.270 nan 0.000 0.420 237 S N -0.504 115.257 115.700 0.101 0.000 2.730 237 S HA 0.058 4.528 4.470 -0.000 0.000 0.244 237 S C -0.267 174.355 174.600 0.037 0.000 1.022 237 S CA -0.226 58.013 58.200 0.065 0.000 1.014 237 S CB 0.286 63.518 63.200 0.054 0.000 0.963 237 S HN 0.253 nan 8.310 nan 0.000 0.540 238 D N 3.074 123.489 120.400 0.024 0.000 2.277 238 D HA 0.146 4.786 4.640 -0.000 0.000 0.249 238 D C -1.507 174.812 176.300 0.031 0.000 1.134 238 D CA -1.836 52.178 54.000 0.023 0.000 0.863 238 D CB 1.883 42.692 40.800 0.015 0.000 1.143 238 D HN 0.016 nan 8.370 nan 0.000 0.458 239 P HA -0.202 nan 4.420 nan 0.000 0.214 239 P C 0.928 178.254 177.300 0.044 0.000 1.163 239 P CA 1.352 64.471 63.100 0.032 0.000 0.883 239 P CB 0.459 32.174 31.700 0.025 0.000 0.788 240 Q N -0.742 119.090 119.800 0.053 0.000 2.291 240 Q HA -0.063 4.277 4.340 -0.000 0.000 0.205 240 Q C 2.036 178.113 176.000 0.128 0.000 0.970 240 Q CA 1.104 56.953 55.803 0.078 0.000 0.876 240 Q CB -0.813 27.973 28.738 0.080 0.000 0.935 240 Q HN 0.315 nan 8.270 nan 0.000 0.455 241 N N -0.163 118.603 118.700 0.111 0.000 2.250 241 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 241 N C 0.295 175.886 175.510 0.135 0.000 1.017 241 N CA 0.477 53.615 53.050 0.147 0.000 0.866 241 N CB 0.099 38.599 38.487 0.022 0.000 0.985 241 N HN 0.381 nan 8.380 nan 0.000 0.429 245 I N 0.040 120.782 120.570 0.287 0.000 2.439 245 I HA 0.067 4.237 4.170 -0.000 0.000 0.251 245 I C 2.330 178.623 176.117 0.292 0.000 1.139 245 I CA 0.558 62.050 61.300 0.319 0.000 1.438 245 I CB -0.520 37.420 38.000 -0.099 0.000 1.085 245 I HN -0.015 nan 8.210 nan 0.000 0.427 246 I N 1.859 122.558 120.570 0.214 0.000 2.163 246 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 246 I C 2.861 179.083 176.117 0.175 0.000 1.085 246 I CA 1.660 63.129 61.300 0.281 0.000 1.347 246 I CB -1.301 36.819 38.000 0.200 0.000 1.044 246 I HN 0.394 nan 8.210 nan 0.000 0.408 247 R N -0.210 120.339 120.500 0.081 0.000 2.092 247 R HA -0.237 4.103 4.340 -0.000 0.000 0.231 247 R C 2.564 178.903 176.300 0.064 0.000 1.119 247 R CA 1.393 57.503 56.100 0.016 0.000 0.970 247 R CB -0.431 29.811 30.300 -0.098 0.000 0.864 247 R HN 0.311 nan 8.270 nan 0.000 0.440 248 Y N 0.494 120.836 120.300 0.070 0.000 2.133 248 Y HA -0.152 4.398 4.550 -0.000 0.000 0.287 248 Y C 1.908 177.881 175.900 0.122 0.000 1.134 248 Y CA 1.583 59.797 58.100 0.190 0.000 1.133 248 Y CB -0.423 38.378 38.460 0.570 0.000 0.987 248 Y HN -0.159 nan 8.280 nan 0.000 0.502 249 V N 0.858 120.770 119.914 -0.002 0.000 2.546 249 V HA -0.307 3.813 4.120 -0.000 0.000 0.254 249 V C 1.810 177.693 176.094 -0.352 0.000 1.076 249 V CA 2.419 64.562 62.300 -0.263 0.000 1.087 249 V CB -0.615 30.980 31.823 -0.380 0.000 0.674 249 V HN 0.481 nan 8.190 nan 0.000 0.470 250 E N -0.753 119.307 120.200 -0.233 0.000 2.415 250 E HA 0.052 4.402 4.350 -0.000 0.000 0.197 250 E C 1.403 177.922 176.600 -0.135 0.000 1.007 250 E CA 0.975 57.272 56.400 -0.172 0.000 0.890 250 E CB 0.493 30.147 29.700 -0.077 0.000 0.891 250 E HN 0.862 nan 8.360 nan 0.000 0.496 251 T N -3.393 111.076 114.554 -0.143 0.000 2.527 251 T HA 0.405 4.755 4.350 -0.000 0.000 0.181 251 T C 0.669 175.314 174.700 -0.093 0.000 0.817 251 T CA -0.149 61.891 62.100 -0.100 0.000 1.287 251 T CB 0.426 69.270 68.868 -0.040 0.000 2.208 251 T HN 0.028 nan 8.240 nan 0.000 0.409 252 G N 0.528 109.346 108.800 0.031 0.000 2.990 252 G HA2 0.603 4.563 3.960 -0.000 0.000 0.208 252 G HA3 0.603 4.563 3.960 -0.000 0.000 0.208 252 G C -0.623 174.469 174.900 0.321 0.000 1.334 252 G CA -0.679 44.522 45.100 0.169 0.000 1.024 252 G HN 0.728 nan 8.290 nan 0.000 0.574 253 Q N -1.131 118.834 119.800 0.276 0.000 2.527 253 Q HA 0.233 4.573 4.340 -0.000 0.000 0.189 253 Q C 1.235 177.346 176.000 0.186 0.000 1.116 253 Q CA -0.254 55.679 55.803 0.216 0.000 1.169 253 Q CB 0.082 28.872 28.738 0.087 0.000 1.211 253 Q HN 0.396 nan 8.270 nan 0.000 0.649 254 F N 0.618 120.471 119.950 -0.162 0.000 2.123 254 F HA 0.064 4.591 4.527 -0.000 0.000 0.289 254 F C -0.240 175.523 175.800 -0.061 0.000 1.099 254 F CA -0.147 57.795 58.000 -0.097 0.000 1.234 254 F CB -2.552 36.371 39.000 -0.129 0.000 1.034 254 F HN 0.426 nan 8.300 nan 0.000 0.479 255 P HA 0.000 nan 4.420 nan 0.000 0.216 255 P CA 0.000 63.141 63.100 0.068 0.000 0.800 255 P CB 0.000 31.711 31.700 0.019 0.000 0.726