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 2ci0_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVALPRVSGG HDEHGHLEEF RTDPIGLMQR VRDELGDVGT FQLAGKQVVL DATA SEQUENCE LSGSHANEFF FRAGDDDLDQ AKAYPFMTPI FGXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXLRGEQMKG HAATIEDQVR RMIADWGEAG EIDLLDFFAE LTIYTSSACL DATA SEQUENCE IGKKFRDQLD GRFAKLYHEL ERGTDPLAYV DPYLPIESFR RRDEARNGLV DATA SEQUENCE ALVADIMNGR IANPXXXXXD RDMLDVLIAV KAETGTPRFS ADEITGMFIS DATA SEQUENCE MMFAGHHTSS GTASWTLIEL MRHRDAYAAV IDELDELYGD GRSVSFHALR DATA SEQUENCE QIPQLENVLK ETLRLHPPLI ILMRVAKGEF EVQGHRIHEG DLVAASPAIS DATA SEQUENCE NRIPEDFPDP HDFVPARYEQ PRQEDLLNRW TWIPFGAGRH RCVGAAFAIM DATA SEQUENCE QIKAIFSVLL REYEFEMAQP PESYRNDHSK MVVQLAQPAA VRYRRRT 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.586 177.584 0.004 0.000 1.274 3 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 3 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 4 V N 1.098 121.024 119.914 0.020 0.000 2.673 4 V HA 0.417 4.536 4.120 -0.001 0.000 0.303 4 V C 0.763 176.884 176.094 0.045 0.000 1.046 4 V CA 0.662 62.986 62.300 0.041 0.000 1.126 4 V CB 0.553 32.414 31.823 0.063 0.000 0.934 4 V HN 1.575 nan 8.190 nan 0.000 0.487 5 A N 6.080 128.928 122.820 0.046 0.000 2.318 5 A HA 0.742 5.062 4.320 -0.001 0.000 0.324 5 A C -0.442 177.175 177.584 0.055 0.000 1.170 5 A CA -0.685 51.377 52.037 0.042 0.000 0.810 5 A CB 0.560 19.578 19.000 0.030 0.000 1.198 5 A HN 0.796 nan 8.150 nan 0.000 0.484 6 L N 3.310 124.559 121.223 0.044 0.000 2.464 6 L HA 0.279 4.618 4.340 -0.001 0.000 0.264 6 L C -1.540 175.319 176.870 -0.019 0.000 1.199 6 L CA -1.507 53.342 54.840 0.015 0.000 0.818 6 L CB 0.366 42.409 42.059 -0.026 0.000 1.102 6 L HN 0.541 nan 8.230 nan 0.000 0.473 7 P HA 0.047 nan 4.420 nan 0.000 0.264 7 P C -1.042 176.234 177.300 -0.039 0.000 1.193 7 P CA -0.176 62.898 63.100 -0.044 0.000 0.763 7 P CB 0.849 32.500 31.700 -0.081 0.000 0.810 8 R N 2.988 123.490 120.500 0.003 0.000 2.494 8 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 8 R C -1.006 175.315 176.300 0.036 0.000 0.959 8 R CA -1.110 55.005 56.100 0.024 0.000 0.864 8 R CB 1.028 31.365 30.300 0.061 0.000 1.159 8 R HN 0.291 nan 8.270 nan 0.000 0.446 9 V N 4.175 124.096 119.914 0.011 0.000 2.963 9 V HA 0.243 4.363 4.120 -0.001 0.000 0.306 9 V C 0.014 176.162 176.094 0.091 0.000 1.077 9 V CA 0.437 62.737 62.300 0.001 0.000 1.124 9 V CB 1.144 32.908 31.823 -0.098 0.000 0.987 9 V HN 1.103 nan 8.190 nan 0.000 0.487 10 S N 4.831 120.579 115.700 0.081 0.000 2.587 10 S HA 0.592 5.062 4.470 -0.001 0.000 0.260 10 S C 0.650 175.323 174.600 0.121 0.000 1.353 10 S CA 0.105 58.364 58.200 0.098 0.000 0.995 10 S CB 0.665 63.912 63.200 0.078 0.000 0.912 10 S HN 2.569 nan 8.310 nan 0.000 0.568 11 G N 0.594 109.359 108.800 -0.057 0.000 2.553 11 G HA2 0.307 4.266 3.960 -0.001 0.000 0.242 11 G HA3 0.307 4.266 3.960 -0.001 0.000 0.242 11 G C 0.734 175.178 174.900 -0.759 0.000 1.277 11 G CA 0.355 45.267 45.100 -0.313 0.000 0.910 11 G HN 2.553 nan 8.290 nan 0.000 0.576 12 G N -1.868 106.517 108.800 -0.691 0.000 2.246 12 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.273 12 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.273 12 G C 0.534 175.066 174.900 -0.614 0.000 1.055 12 G CA 1.364 45.848 45.100 -1.027 0.000 0.851 12 G HN 1.630 nan 8.290 nan 0.000 0.500 13 H N 0.009 118.981 119.070 -0.163 0.000 2.526 13 H HA 0.134 4.690 4.556 -0.001 0.000 0.274 13 H C 0.885 176.169 175.328 -0.074 0.000 0.999 13 H CA 0.265 56.256 56.048 -0.094 0.000 1.157 13 H CB 0.492 30.221 29.762 -0.055 0.000 1.407 13 H HN 0.480 nan 8.280 nan 0.000 0.568 14 D N 0.808 121.201 120.400 -0.012 0.000 2.398 14 D HA -0.049 4.591 4.640 -0.001 0.000 0.247 14 D C 1.495 177.773 176.300 -0.037 0.000 1.227 14 D CA -0.161 53.835 54.000 -0.008 0.000 0.980 14 D CB 1.502 42.303 40.800 0.002 0.000 1.106 14 D HN 0.223 nan 8.370 nan 0.000 0.493 15 E N -0.341 119.814 120.200 -0.074 0.000 2.086 15 E HA -0.247 4.102 4.350 -0.001 0.000 0.200 15 E C 0.459 176.911 176.600 -0.247 0.000 1.012 15 E CA 1.376 57.663 56.400 -0.188 0.000 0.812 15 E CB 0.113 29.639 29.700 -0.290 0.000 0.743 15 E HN 0.374 nan 8.360 nan 0.000 0.453 16 H N -0.618 118.465 119.070 0.021 0.000 2.577 16 H HA 0.239 4.794 4.556 -0.001 0.000 0.306 16 H C 0.942 176.281 175.328 0.019 0.000 1.109 16 H CA 0.424 56.491 56.048 0.032 0.000 1.063 16 H CB 0.254 30.051 29.762 0.058 0.000 1.535 16 H HN 0.410 nan 8.280 nan 0.000 0.532 17 G N 1.172 109.997 108.800 0.041 0.000 2.565 17 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.295 17 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.295 17 G C 0.585 175.398 174.900 -0.143 0.000 1.165 17 G CA 0.611 45.664 45.100 -0.078 0.000 0.977 17 G HN 0.589 nan 8.290 nan 0.000 0.546 18 H N 0.711 119.831 119.070 0.084 0.000 2.533 18 H HA 0.380 4.936 4.556 -0.001 0.000 0.271 18 H C 2.164 177.558 175.328 0.111 0.000 1.000 18 H CA 0.551 56.643 56.048 0.073 0.000 1.149 18 H CB 0.292 30.105 29.762 0.085 0.000 1.375 18 H HN 0.393 nan 8.280 nan 0.000 0.582 19 L N 1.142 122.495 121.223 0.217 0.000 2.013 19 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 19 L C 2.289 179.287 176.870 0.213 0.000 1.073 19 L CA 1.896 56.866 54.840 0.216 0.000 0.753 19 L CB -0.246 41.928 42.059 0.192 0.000 0.890 19 L HN 0.157 nan 8.230 nan 0.000 0.432 20 E N -0.079 120.216 120.200 0.158 0.000 2.110 20 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 20 E C 2.180 178.835 176.600 0.093 0.000 0.988 20 E CA 1.726 58.194 56.400 0.113 0.000 0.804 20 E CB -0.243 29.506 29.700 0.081 0.000 0.745 20 E HN 0.689 nan 8.360 nan 0.000 0.458 21 E N -1.354 118.906 120.200 0.099 0.000 2.107 21 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 21 E C 1.786 178.416 176.600 0.050 0.000 0.982 21 E CA 0.724 57.161 56.400 0.061 0.000 0.809 21 E CB -0.280 29.461 29.700 0.068 0.000 0.756 21 E HN 0.343 nan 8.360 nan 0.000 0.459 22 F N 1.655 121.572 119.950 -0.055 0.000 2.216 22 F HA -0.072 4.455 4.527 -0.001 0.000 0.300 22 F C 1.996 177.772 175.800 -0.040 0.000 1.085 22 F CA 1.319 59.261 58.000 -0.097 0.000 1.326 22 F CB 0.118 39.072 39.000 -0.078 0.000 1.027 22 F HN -0.101 nan 8.300 nan 0.000 0.497 23 R N -0.887 119.648 120.500 0.057 0.000 2.307 23 R HA -0.008 4.331 4.340 -0.001 0.000 0.199 23 R C 1.682 177.952 176.300 -0.050 0.000 1.000 23 R CA 1.419 57.517 56.100 -0.004 0.000 1.023 23 R CB -0.371 29.965 30.300 0.060 0.000 0.908 23 R HN 0.442 nan 8.270 nan 0.000 0.473 24 T N -3.735 110.785 114.554 -0.057 0.000 3.019 24 T HA 0.028 4.377 4.350 -0.001 0.000 0.247 24 T C 0.339 174.997 174.700 -0.071 0.000 0.992 24 T CA 0.076 62.150 62.100 -0.043 0.000 1.036 24 T CB 0.474 69.332 68.868 -0.017 0.000 1.063 24 T HN -0.007 nan 8.240 nan 0.000 0.476 25 D N 2.209 122.536 120.400 -0.121 0.000 2.823 25 D HA 0.323 4.963 4.640 -0.001 0.000 0.255 25 D C -1.960 174.191 176.300 -0.249 0.000 1.257 25 D CA -1.782 52.119 54.000 -0.166 0.000 0.803 25 D CB 1.417 42.153 40.800 -0.107 0.000 1.384 25 D HN 0.010 nan 8.370 nan 0.000 0.541 26 P HA -0.122 nan 4.420 nan 0.000 0.217 26 P C 1.743 178.842 177.300 -0.334 0.000 1.150 26 P CA 0.719 63.506 63.100 -0.521 0.000 0.832 26 P CB 0.666 31.780 31.700 -0.977 0.000 0.787 27 I N -0.063 120.292 120.570 -0.358 0.000 2.252 27 I HA -0.135 4.034 4.170 -0.001 0.000 0.245 27 I C 2.746 178.752 176.117 -0.185 0.000 1.102 27 I CA 1.703 62.844 61.300 -0.264 0.000 1.385 27 I CB -1.259 36.545 38.000 -0.326 0.000 1.064 27 I HN 0.002 nan 8.210 nan 0.000 0.414 28 G N 1.142 109.833 108.800 -0.182 0.000 2.422 28 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 28 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 28 G C 1.653 176.482 174.900 -0.118 0.000 1.146 28 G CA 0.595 45.620 45.100 -0.124 0.000 0.769 28 G HN 0.260 nan 8.290 nan 0.000 0.547 29 L N 0.451 121.583 121.223 -0.153 0.000 2.017 29 L HA 0.095 4.434 4.340 -0.001 0.000 0.208 29 L C 2.810 179.555 176.870 -0.208 0.000 1.073 29 L CA 1.743 56.471 54.840 -0.187 0.000 0.745 29 L CB -0.435 41.477 42.059 -0.245 0.000 0.894 29 L HN 0.233 nan 8.230 nan 0.000 0.432 30 M N -1.228 118.257 119.600 -0.193 0.000 2.213 30 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 30 M C 2.265 178.528 176.300 -0.061 0.000 1.062 30 M CA 1.649 56.879 55.300 -0.117 0.000 1.105 30 M CB -0.354 32.211 32.600 -0.057 0.000 1.385 30 M HN 0.354 nan 8.290 nan 0.000 0.417 31 Q N 0.761 120.523 119.800 -0.064 0.000 2.123 31 Q HA -0.112 4.227 4.340 -0.001 0.000 0.199 31 Q C 1.918 177.903 176.000 -0.025 0.000 0.966 31 Q CA 1.617 57.402 55.803 -0.030 0.000 0.845 31 Q CB -0.184 28.538 28.738 -0.028 0.000 0.907 31 Q HN 0.358 nan 8.270 nan 0.000 0.439 32 R N -0.965 119.508 120.500 -0.044 0.000 2.115 32 R HA -0.059 4.280 4.340 -0.001 0.000 0.230 32 R C 1.889 178.173 176.300 -0.027 0.000 1.111 32 R CA 1.135 57.215 56.100 -0.032 0.000 0.976 32 R CB -0.069 30.207 30.300 -0.039 0.000 0.870 32 R HN 0.207 nan 8.270 nan 0.000 0.445 33 V N 0.833 120.722 119.914 -0.040 0.000 2.295 33 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 33 V C 2.519 178.613 176.094 -0.001 0.000 1.049 33 V CA 2.193 64.482 62.300 -0.018 0.000 1.024 33 V CB -0.584 31.247 31.823 0.014 0.000 0.648 33 V HN 0.397 nan 8.190 nan 0.000 0.447 34 R N -0.125 120.378 120.500 0.005 0.000 2.075 34 R HA -0.157 4.183 4.340 -0.001 0.000 0.232 34 R C 2.054 178.366 176.300 0.019 0.000 1.126 34 R CA 1.827 57.937 56.100 0.017 0.000 0.963 34 R CB -0.314 30.001 30.300 0.025 0.000 0.858 34 R HN 0.500 nan 8.270 nan 0.000 0.435 35 D N 0.470 120.880 120.400 0.015 0.000 2.117 35 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 35 D C 1.626 177.937 176.300 0.019 0.000 0.987 35 D CA 1.427 55.438 54.000 0.019 0.000 0.829 35 D CB -0.042 40.768 40.800 0.016 0.000 0.961 35 D HN 0.463 nan 8.370 nan 0.000 0.460 36 E N -0.392 119.816 120.200 0.014 0.000 2.122 36 E HA 0.061 4.411 4.350 -0.001 0.000 0.190 36 E C 2.015 178.626 176.600 0.018 0.000 0.977 36 E CA 0.410 56.820 56.400 0.017 0.000 0.820 36 E CB 0.291 30.000 29.700 0.015 0.000 0.770 36 E HN 0.258 nan 8.360 nan 0.000 0.462 37 L N -0.995 120.235 121.223 0.011 0.000 2.642 37 L HA 0.332 4.671 4.340 -0.001 0.000 0.233 37 L C 1.168 178.049 176.870 0.018 0.000 1.077 37 L CA 0.204 55.048 54.840 0.007 0.000 0.879 37 L CB 0.444 42.490 42.059 -0.021 0.000 1.151 37 L HN 0.197 nan 8.230 nan 0.000 0.495 38 G N 0.715 109.529 108.800 0.023 0.000 2.445 38 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.212 38 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.212 38 G C -0.333 174.590 174.900 0.039 0.000 1.217 38 G CA 0.001 45.124 45.100 0.039 0.000 1.002 38 G HN 0.041 nan 8.290 nan 0.000 0.574 39 D N -0.267 120.170 120.400 0.061 0.000 2.310 39 D HA 0.155 4.795 4.640 -0.001 0.000 0.212 39 D C 1.042 177.367 176.300 0.042 0.000 0.965 39 D CA 1.616 55.657 54.000 0.069 0.000 0.879 39 D CB 0.305 41.171 40.800 0.110 0.000 0.921 39 D HN 0.432 nan 8.370 nan 0.000 0.510 40 V N 0.248 120.166 119.914 0.006 0.000 2.447 40 V HA 0.693 4.812 4.120 -0.001 0.000 0.292 40 V C 0.369 176.353 176.094 -0.183 0.000 1.021 40 V CA -0.749 61.501 62.300 -0.083 0.000 0.850 40 V CB 1.805 33.573 31.823 -0.092 0.000 1.005 40 V HN 0.086 nan 8.190 nan 0.000 0.426 41 G N 2.395 111.123 108.800 -0.120 0.000 2.690 41 G HA2 0.815 4.774 3.960 -0.001 0.000 0.291 41 G HA3 0.815 4.774 3.960 -0.001 0.000 0.291 41 G C -0.704 174.146 174.900 -0.084 0.000 1.403 41 G CA -0.155 44.880 45.100 -0.108 0.000 0.864 41 G HN 0.728 nan 8.290 nan 0.000 0.480 42 T N -1.894 112.614 114.554 -0.076 0.000 2.916 42 T HA 0.838 5.188 4.350 -0.001 0.000 0.292 42 T C -0.772 173.905 174.700 -0.038 0.000 1.055 42 T CA -0.799 61.235 62.100 -0.111 0.000 1.009 42 T CB 1.812 70.606 68.868 -0.122 0.000 1.118 42 T HN 1.394 nan 8.240 nan 0.000 0.497 43 F N -0.921 118.919 119.950 -0.184 0.000 2.626 43 F HA 0.806 5.332 4.527 -0.001 0.000 0.311 43 F C -0.850 174.914 175.800 -0.060 0.000 1.088 43 F CA -1.429 56.388 58.000 -0.305 0.000 0.949 43 F CB 1.848 40.532 39.000 -0.527 0.000 1.322 43 F HN 0.621 nan 8.300 nan 0.000 0.461 44 Q N 2.031 122.111 119.800 0.467 0.000 2.314 44 Q HA 0.519 4.859 4.340 -0.001 0.000 0.259 44 Q C -1.679 174.467 176.000 0.244 0.000 0.951 44 Q CA -0.535 55.409 55.803 0.235 0.000 0.909 44 Q CB 1.564 30.426 28.738 0.205 0.000 1.236 44 Q HN 0.795 nan 8.270 nan 0.000 0.444 45 L N 4.712 125.956 121.223 0.035 0.000 2.360 45 L HA 0.667 5.006 4.340 -0.001 0.000 0.265 45 L C 0.146 177.029 176.870 0.022 0.000 1.066 45 L CA 0.950 55.789 54.840 -0.002 0.000 0.929 45 L CB -0.428 41.487 42.059 -0.241 0.000 1.306 45 L HN 0.868 nan 8.230 nan 0.000 0.434 46 A N 3.884 126.761 122.820 0.096 0.000 5.277 46 A HA -0.252 4.067 4.320 -0.001 0.000 0.304 46 A C 1.270 178.921 177.584 0.112 0.000 1.976 46 A CA 0.952 53.065 52.037 0.127 0.000 0.715 46 A CB -1.966 17.041 19.000 0.011 0.000 1.275 46 A HN 1.239 nan 8.150 nan 0.000 0.367 47 G N -0.538 108.315 108.800 0.089 0.000 3.383 47 G HA2 0.428 4.388 3.960 -0.001 0.000 0.251 47 G HA3 0.428 4.388 3.960 -0.001 0.000 0.251 47 G C 0.244 175.163 174.900 0.031 0.000 1.203 47 G CA 0.848 45.987 45.100 0.066 0.000 0.852 47 G HN 0.529 nan 8.290 nan 0.000 0.531 48 K N 0.696 121.102 120.400 0.009 0.000 2.376 48 K HA 0.272 4.591 4.320 -0.001 0.000 0.257 48 K C -0.716 175.821 176.600 -0.104 0.000 0.939 48 K CA -0.564 55.700 56.287 -0.037 0.000 0.809 48 K CB 2.381 34.861 32.500 -0.033 0.000 1.121 48 K HN 0.329 nan 8.250 nan 0.000 0.425 49 Q N 2.404 122.138 119.800 -0.111 0.000 2.279 49 Q HA 0.295 4.635 4.340 -0.001 0.000 0.256 49 Q C -1.009 174.820 176.000 -0.284 0.000 0.937 49 Q CA -0.493 55.209 55.803 -0.169 0.000 0.933 49 Q CB 1.043 29.723 28.738 -0.096 0.000 1.189 49 Q HN 0.240 nan 8.270 nan 0.000 0.417 50 V N 5.054 124.648 119.914 -0.533 0.000 2.370 50 V HA 0.245 4.364 4.120 -0.001 0.000 0.283 50 V C -0.332 175.445 176.094 -0.528 0.000 1.023 50 V CA -0.762 61.135 62.300 -0.672 0.000 0.857 50 V CB 1.638 32.661 31.823 -1.333 0.000 0.985 50 V HN 0.644 nan 8.190 nan 0.000 0.443 51 V N 6.678 126.424 119.914 -0.280 0.000 2.339 51 V HA 0.255 4.375 4.120 -0.001 0.000 0.261 51 V C -0.041 175.974 176.094 -0.132 0.000 1.058 51 V CA -0.316 61.884 62.300 -0.166 0.000 0.897 51 V CB 1.088 32.870 31.823 -0.068 0.000 1.052 51 V HN 0.644 nan 8.190 nan 0.000 0.480 52 L N 7.555 128.712 121.223 -0.110 0.000 2.278 52 L HA 0.476 4.815 4.340 -0.001 0.000 0.287 52 L C -0.309 176.538 176.870 -0.037 0.000 1.072 52 L CA 0.473 55.291 54.840 -0.036 0.000 0.819 52 L CB 0.516 42.636 42.059 0.103 0.000 1.176 52 L HN 0.459 nan 8.230 nan 0.000 0.435 53 L N 4.971 126.152 121.223 -0.070 0.000 2.325 53 L HA 0.743 5.082 4.340 -0.001 0.000 0.279 53 L C 0.084 176.930 176.870 -0.040 0.000 1.054 53 L CA -0.419 54.396 54.840 -0.042 0.000 0.804 53 L CB 1.618 43.661 42.059 -0.026 0.000 1.200 53 L HN 0.802 nan 8.230 nan 0.000 0.436 54 S N 0.459 116.172 115.700 0.022 0.000 2.570 54 S HA 0.925 5.394 4.470 -0.001 0.000 0.270 54 S C -0.394 174.267 174.600 0.101 0.000 1.149 54 S CA -0.285 57.948 58.200 0.056 0.000 0.837 54 S CB 1.956 65.186 63.200 0.050 0.000 1.124 54 S HN 1.291 nan 8.310 nan 0.000 0.465 55 G N 0.709 109.591 108.800 0.137 0.000 2.690 55 G HA2 0.025 3.985 3.960 -0.001 0.000 0.686 55 G HA3 0.025 3.985 3.960 -0.001 0.000 0.686 55 G C 0.507 175.531 174.900 0.207 0.000 1.277 55 G CA 0.139 45.334 45.100 0.158 0.000 0.799 55 G HN 1.667 nan 8.290 nan 0.000 0.613 56 S N -0.512 115.325 115.700 0.227 0.000 2.359 56 S HA -0.244 4.226 4.470 -0.001 0.000 0.223 56 S C 1.967 176.699 174.600 0.220 0.000 1.039 56 S CA 2.519 60.897 58.200 0.296 0.000 1.042 56 S CB -0.419 62.955 63.200 0.291 0.000 0.915 56 S HN 1.326 nan 8.310 nan 0.000 0.439 57 H N 1.033 120.160 119.070 0.095 0.000 2.290 57 H HA 0.052 4.607 4.556 -0.001 0.000 0.298 57 H C 2.160 177.513 175.328 0.042 0.000 1.087 57 H CA 2.224 58.294 56.048 0.037 0.000 1.291 57 H CB -0.869 28.914 29.762 0.036 0.000 1.369 57 H HN 0.401 nan 8.280 nan 0.000 0.492 58 A N 0.335 123.159 122.820 0.006 0.000 1.930 58 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 58 A C 2.254 179.879 177.584 0.068 0.000 1.175 58 A CA 1.631 53.663 52.037 -0.008 0.000 0.627 58 A CB -0.420 18.621 19.000 0.069 0.000 0.815 58 A HN 0.541 nan 8.150 nan 0.000 0.443 59 N N -0.184 118.586 118.700 0.118 0.000 2.166 59 N HA -0.147 4.592 4.740 -0.001 0.000 0.186 59 N C 1.666 177.294 175.510 0.197 0.000 1.019 59 N CA 1.408 54.600 53.050 0.237 0.000 0.856 59 N CB -0.380 38.385 38.487 0.463 0.000 0.993 59 N HN 0.749 nan 8.380 nan 0.000 0.426 60 E N -0.295 119.809 120.200 -0.161 0.000 2.077 60 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 60 E C 1.738 178.073 176.600 -0.442 0.000 0.989 60 E CA 0.760 56.669 56.400 -0.818 0.000 0.800 60 E CB -0.153 28.887 29.700 -1.101 0.000 0.746 60 E HN 0.323 nan 8.360 nan 0.000 0.452 61 F N 0.530 120.262 119.950 -0.363 0.000 2.095 61 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 61 F C 1.917 177.590 175.800 -0.211 0.000 1.104 61 F CA 1.641 59.472 58.000 -0.282 0.000 1.232 61 F CB -0.678 38.162 39.000 -0.266 0.000 0.987 61 F HN 0.098 nan 8.300 nan 0.000 0.475 62 F N 0.024 119.666 119.950 -0.513 0.000 2.095 62 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 62 F C 1.820 177.272 175.800 -0.580 0.000 1.104 62 F CA 1.940 59.538 58.000 -0.670 0.000 1.232 62 F CB -0.718 37.935 39.000 -0.578 0.000 0.987 62 F HN -0.026 nan 8.300 nan 0.000 0.475 63 F N 0.147 120.121 119.950 0.040 0.000 2.615 63 F HA 0.109 4.636 4.527 -0.001 0.000 0.297 63 F C 2.134 177.917 175.800 -0.028 0.000 1.124 63 F CA 0.723 58.790 58.000 0.111 0.000 1.451 63 F CB -0.494 38.768 39.000 0.436 0.000 1.103 63 F HN -0.158 nan 8.300 nan 0.000 0.569 64 R N 0.031 120.486 120.500 -0.075 0.000 2.300 64 R HA 0.316 4.655 4.340 -0.001 0.000 0.199 64 R C 0.663 176.843 176.300 -0.201 0.000 0.920 64 R CA 0.179 56.219 56.100 -0.100 0.000 1.046 64 R CB -0.024 30.177 30.300 -0.164 0.000 0.984 64 R HN 0.068 nan 8.270 nan 0.000 0.493 65 A N 1.278 123.876 122.820 -0.370 0.000 2.409 65 A HA 0.491 4.810 4.320 -0.001 0.000 0.262 65 A C 0.499 177.936 177.584 -0.244 0.000 1.113 65 A CA -0.172 51.608 52.037 -0.428 0.000 0.790 65 A CB 0.558 19.076 19.000 -0.803 0.000 1.046 65 A HN 0.277 nan 8.150 nan 0.000 0.496 66 G N -0.041 108.660 108.800 -0.165 0.000 2.547 66 G HA2 0.414 4.374 3.960 -0.001 0.000 0.291 66 G HA3 0.414 4.374 3.960 -0.001 0.000 0.291 66 G C 0.802 175.682 174.900 -0.033 0.000 1.211 66 G CA 0.352 45.401 45.100 -0.086 0.000 0.950 66 G HN 0.889 nan 8.290 nan 0.000 0.504 67 D N -1.710 118.707 120.400 0.029 0.000 2.315 67 D HA -0.018 4.622 4.640 -0.001 0.000 0.211 67 D C 1.875 178.174 176.300 -0.000 0.000 0.977 67 D CA 2.195 56.208 54.000 0.021 0.000 0.894 67 D CB -0.890 39.936 40.800 0.044 0.000 0.910 67 D HN 0.665 nan 8.370 nan 0.000 0.490 68 D N -0.152 120.252 120.400 0.005 0.000 2.224 68 D HA -0.068 4.571 4.640 -0.001 0.000 0.205 68 D C 1.806 178.153 176.300 0.078 0.000 0.965 68 D CA 1.217 55.237 54.000 0.034 0.000 0.852 68 D CB -0.258 40.565 40.800 0.038 0.000 0.947 68 D HN 0.484 nan 8.370 nan 0.000 0.494 69 D N -1.050 119.368 120.400 0.030 0.000 2.566 69 D HA 0.208 4.847 4.640 -0.001 0.000 0.253 69 D C 0.481 176.716 176.300 -0.108 0.000 0.992 69 D CA 0.212 54.251 54.000 0.065 0.000 0.940 69 D CB 0.720 41.385 40.800 -0.225 0.000 1.095 69 D HN 0.315 nan 8.370 nan 0.000 0.480 70 L N 1.661 122.735 121.223 -0.250 0.000 2.343 70 L HA 0.344 4.683 4.340 -0.001 0.000 0.278 70 L C -0.763 175.985 176.870 -0.203 0.000 0.996 70 L CA -0.792 53.883 54.840 -0.276 0.000 0.831 70 L CB 2.223 43.973 42.059 -0.514 0.000 1.232 70 L HN -0.211 nan 8.230 nan 0.000 0.413 71 D N 2.011 122.329 120.400 -0.136 0.000 2.168 71 D HA 0.382 5.022 4.640 -0.001 0.000 0.246 71 D C 0.549 176.759 176.300 -0.151 0.000 1.050 71 D CA 0.008 53.941 54.000 -0.112 0.000 0.857 71 D CB 2.245 43.011 40.800 -0.058 0.000 1.169 71 D HN 0.556 nan 8.370 nan 0.000 0.453 72 Q N 2.303 122.010 119.800 -0.154 0.000 2.356 72 Q HA 0.347 4.686 4.340 -0.001 0.000 0.205 72 Q C 1.806 177.736 176.000 -0.117 0.000 0.901 72 Q CA 0.969 56.670 55.803 -0.170 0.000 0.938 72 Q CB -0.314 28.348 28.738 -0.127 0.000 1.081 72 Q HN 0.657 nan 8.270 nan 0.000 0.517 73 A N 2.086 124.863 122.820 -0.072 0.000 1.896 73 A HA -0.233 4.086 4.320 -0.001 0.000 0.220 73 A C 1.874 179.421 177.584 -0.063 0.000 1.206 73 A CA 1.954 53.967 52.037 -0.041 0.000 0.647 73 A CB -0.176 18.806 19.000 -0.030 0.000 0.828 73 A HN 0.523 nan 8.150 nan 0.000 0.455 74 K N -1.296 119.047 120.400 -0.095 0.000 2.726 74 K HA 0.497 4.817 4.320 -0.001 0.000 0.209 74 K C 0.831 177.334 176.600 -0.161 0.000 1.082 74 K CA 0.390 56.611 56.287 -0.110 0.000 1.081 74 K CB 0.629 33.086 32.500 -0.072 0.000 0.830 74 K HN 0.372 nan 8.250 nan 0.000 0.470 75 A N 0.243 122.896 122.820 -0.277 0.000 2.178 75 A HA 0.053 4.373 4.320 -0.001 0.000 0.211 75 A C -0.036 177.257 177.584 -0.485 0.000 1.157 75 A CA 0.620 52.413 52.037 -0.407 0.000 0.780 75 A CB -0.034 18.582 19.000 -0.640 0.000 0.828 75 A HN 0.274 nan 8.150 nan 0.000 0.476 76 Y N -0.146 120.026 120.300 -0.214 0.000 2.748 76 Y HA 0.300 4.849 4.550 -0.001 0.000 0.359 76 Y C -1.848 173.527 175.900 -0.875 0.000 1.030 76 Y CA -2.891 54.822 58.100 -0.646 0.000 1.169 76 Y CB 0.674 38.651 38.460 -0.804 0.000 1.127 76 Y HN 0.170 nan 8.280 nan 0.000 0.644 77 P HA -0.188 nan 4.420 nan 0.000 0.225 77 P C 1.176 178.184 177.300 -0.486 0.000 1.148 77 P CA 1.212 64.026 63.100 -0.477 0.000 0.779 77 P CB -0.113 31.331 31.700 -0.427 0.000 0.780 78 F N -2.486 117.244 119.950 -0.367 0.000 2.604 78 F HA 0.110 4.636 4.527 -0.001 0.000 0.298 78 F C 1.863 177.396 175.800 -0.445 0.000 1.131 78 F CA 0.413 58.183 58.000 -0.382 0.000 1.457 78 F CB -1.344 37.514 39.000 -0.237 0.000 1.095 78 F HN -0.274 nan 8.300 nan 0.000 0.574 79 M N 0.459 119.626 119.600 -0.722 0.000 2.476 79 M HA 0.014 4.493 4.480 -0.001 0.000 0.262 79 M C 1.863 177.753 176.300 -0.684 0.000 1.111 79 M CA 0.829 55.629 55.300 -0.834 0.000 1.127 79 M CB -1.489 30.536 32.600 -0.958 0.000 1.376 79 M HN 0.161 nan 8.290 nan 0.000 0.465 80 T N 1.701 116.006 114.554 -0.416 0.000 2.665 80 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 80 T C -0.700 173.886 174.700 -0.190 0.000 1.035 80 T CA 1.560 63.531 62.100 -0.216 0.000 1.151 80 T CB -1.425 67.357 68.868 -0.143 0.000 0.862 80 T HN 0.230 nan 8.240 nan 0.000 0.438 81 P HA 0.155 nan 4.420 nan 0.000 0.223 81 P C 1.251 178.424 177.300 -0.212 0.000 1.151 81 P CA 0.642 63.607 63.100 -0.225 0.000 0.787 81 P CB -0.126 31.306 31.700 -0.447 0.000 0.788 82 I N -2.283 118.080 120.570 -0.345 0.000 2.277 82 I HA -0.158 4.011 4.170 -0.001 0.000 0.243 82 I C 1.833 177.836 176.117 -0.190 0.000 1.094 82 I CA 1.201 62.285 61.300 -0.359 0.000 1.393 82 I CB -0.470 37.150 38.000 -0.635 0.000 1.078 82 I HN -0.155 nan 8.210 nan 0.000 0.417 83 F N 1.331 121.180 119.950 -0.168 0.000 2.206 83 F HA 0.180 4.706 4.527 -0.001 0.000 0.298 83 F C 1.699 177.459 175.800 -0.065 0.000 1.090 83 F CA 0.696 58.634 58.000 -0.104 0.000 1.323 83 F CB -1.348 37.587 39.000 -0.108 0.000 1.028 83 F HN 0.181 nan 8.300 nan 0.000 0.492 106 R N 0.863 121.393 120.500 0.050 0.000 2.561 106 R HA 0.725 5.065 4.340 -0.001 0.000 0.297 106 R C 0.831 177.149 176.300 0.029 0.000 0.969 106 R CA 0.006 56.121 56.100 0.025 0.000 0.879 106 R CB 1.442 31.746 30.300 0.006 0.000 1.178 106 R HN 0.842 nan 8.270 nan 0.000 0.445 107 G N 0.291 109.102 108.800 0.019 0.000 2.503 107 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.221 107 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.221 107 G C 1.608 176.505 174.900 -0.005 0.000 1.131 107 G CA 1.818 46.926 45.100 0.013 0.000 0.756 107 G HN 1.141 nan 8.290 nan 0.000 0.572 108 E N -0.749 119.441 120.200 -0.016 0.000 2.204 108 E HA -0.023 4.326 4.350 -0.001 0.000 0.195 108 E C 2.376 178.940 176.600 -0.059 0.000 0.990 108 E CA 2.114 58.495 56.400 -0.031 0.000 0.821 108 E CB -1.031 28.653 29.700 -0.027 0.000 0.750 108 E HN 0.769 nan 8.360 nan 0.000 0.477 109 Q N -0.697 119.053 119.800 -0.084 0.000 2.408 109 Q HA 0.338 4.678 4.340 -0.001 0.000 0.205 109 Q C 2.204 178.038 176.000 -0.277 0.000 0.919 109 Q CA 0.888 56.561 55.803 -0.216 0.000 0.932 109 Q CB -0.257 28.328 28.738 -0.256 0.000 1.058 109 Q HN 0.537 nan 8.270 nan 0.000 0.517 110 M N 0.567 120.135 119.600 -0.053 0.000 2.108 110 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 110 M C 2.155 178.475 176.300 0.033 0.000 1.066 110 M CA 2.139 57.482 55.300 0.072 0.000 1.107 110 M CB -0.747 31.905 32.600 0.087 0.000 1.356 110 M HN 0.599 nan 8.290 nan 0.000 0.406 111 K N -0.119 120.272 120.400 -0.015 0.000 2.063 111 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 111 K C 1.996 178.596 176.600 -0.000 0.000 1.048 111 K CA 1.738 58.025 56.287 -0.001 0.000 0.928 111 K CB -0.414 32.083 32.500 -0.005 0.000 0.713 111 K HN 0.373 nan 8.250 nan 0.000 0.442 112 G N 0.277 109.038 108.800 -0.065 0.000 2.418 112 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.217 112 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.217 112 G C 1.178 176.087 174.900 0.015 0.000 1.158 112 G CA 0.847 45.907 45.100 -0.066 0.000 0.771 112 G HN 0.351 nan 8.290 nan 0.000 0.545 113 H N 0.827 119.946 119.070 0.081 0.000 2.389 113 H HA 0.094 4.649 4.556 -0.001 0.000 0.299 113 H C 2.894 178.263 175.328 0.069 0.000 1.081 113 H CA 0.969 57.090 56.048 0.122 0.000 1.345 113 H CB -0.653 29.267 29.762 0.263 0.000 1.393 113 H HN 0.376 nan 8.280 nan 0.000 0.520 114 A N 1.122 124.036 122.820 0.157 0.000 1.902 114 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 114 A C 2.690 180.318 177.584 0.074 0.000 1.181 114 A CA 1.879 53.963 52.037 0.078 0.000 0.623 114 A CB -0.841 18.196 19.000 0.061 0.000 0.818 114 A HN 0.436 nan 8.150 nan 0.000 0.443 115 A N -1.181 121.684 122.820 0.076 0.000 1.930 115 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 115 A C 2.300 179.916 177.584 0.054 0.000 1.175 115 A CA 2.233 54.306 52.037 0.061 0.000 0.627 115 A CB -1.203 17.827 19.000 0.049 0.000 0.815 115 A HN 0.424 nan 8.150 nan 0.000 0.443 116 T N 0.361 114.962 114.554 0.079 0.000 2.708 116 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 116 T C 1.788 176.517 174.700 0.049 0.000 1.037 116 T CA 1.557 63.702 62.100 0.074 0.000 1.146 116 T CB -0.406 68.542 68.868 0.134 0.000 0.865 116 T HN 0.427 nan 8.240 nan 0.000 0.435 117 I N 0.935 121.537 120.570 0.053 0.000 2.226 117 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 117 I C 2.743 178.857 176.117 -0.005 0.000 1.100 117 I CA 1.394 62.701 61.300 0.013 0.000 1.374 117 I CB -0.372 37.614 38.000 -0.023 0.000 1.057 117 I HN 0.366 nan 8.210 nan 0.000 0.413 118 E N 1.185 121.389 120.200 0.007 0.000 2.058 118 E HA -0.333 4.016 4.350 -0.001 0.000 0.194 118 E C 1.768 178.354 176.600 -0.023 0.000 0.997 118 E CA 2.083 58.480 56.400 -0.004 0.000 0.801 118 E CB -0.084 29.629 29.700 0.021 0.000 0.746 118 E HN 0.435 nan 8.360 nan 0.000 0.450 119 D N -0.378 120.013 120.400 -0.015 0.000 2.117 119 D HA -0.194 4.445 4.640 -0.001 0.000 0.197 119 D C 2.069 178.335 176.300 -0.057 0.000 0.987 119 D CA 1.244 55.224 54.000 -0.033 0.000 0.829 119 D CB 0.044 40.830 40.800 -0.023 0.000 0.961 119 D HN 0.140 nan 8.370 nan 0.000 0.460 120 Q N -0.079 119.693 119.800 -0.046 0.000 2.124 120 Q HA -0.075 4.265 4.340 -0.001 0.000 0.202 120 Q C 2.496 178.448 176.000 -0.080 0.000 0.977 120 Q CA 0.662 56.429 55.803 -0.060 0.000 0.850 120 Q CB -0.513 28.218 28.738 -0.011 0.000 0.901 120 Q HN 0.319 nan 8.270 nan 0.000 0.429 121 V N 1.057 120.923 119.914 -0.079 0.000 2.307 121 V HA -0.225 3.895 4.120 -0.001 0.000 0.245 121 V C 2.378 178.383 176.094 -0.148 0.000 1.045 121 V CA 1.662 63.896 62.300 -0.110 0.000 1.024 121 V CB -0.482 31.286 31.823 -0.092 0.000 0.651 121 V HN 0.309 nan 8.190 nan 0.000 0.449 122 R N -0.190 120.238 120.500 -0.120 0.000 2.096 122 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 122 R C 2.513 178.727 176.300 -0.144 0.000 1.127 122 R CA 1.658 57.681 56.100 -0.129 0.000 0.968 122 R CB -0.397 29.852 30.300 -0.085 0.000 0.861 122 R HN 0.437 nan 8.270 nan 0.000 0.440 123 R N 0.300 120.722 120.500 -0.131 0.000 2.092 123 R HA -0.059 4.281 4.340 -0.001 0.000 0.231 123 R C 2.102 178.314 176.300 -0.146 0.000 1.119 123 R CA 1.154 57.173 56.100 -0.136 0.000 0.970 123 R CB 0.036 30.241 30.300 -0.157 0.000 0.864 123 R HN 0.081 nan 8.270 nan 0.000 0.440 124 M N 0.860 120.367 119.600 -0.156 0.000 2.296 124 M HA -0.084 4.396 4.480 -0.001 0.000 0.265 124 M C 1.959 178.121 176.300 -0.229 0.000 1.064 124 M CA 1.285 56.508 55.300 -0.129 0.000 1.109 124 M CB -0.208 32.285 32.600 -0.177 0.000 1.396 124 M HN 0.344 nan 8.290 nan 0.000 0.430 125 I N -3.774 116.508 120.570 -0.481 0.000 3.928 125 I HA 0.278 4.448 4.170 -0.001 0.000 0.335 125 I C 1.838 177.678 176.117 -0.462 0.000 1.325 125 I CA 0.100 60.769 61.300 -1.052 0.000 1.107 125 I CB -0.485 36.644 38.000 -1.452 0.000 1.014 125 I HN -0.053 nan 8.210 nan 0.000 0.400 126 A N 2.539 125.233 122.820 -0.210 0.000 1.978 126 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 126 A C 1.820 179.416 177.584 0.020 0.000 1.170 126 A CA 2.177 54.171 52.037 -0.071 0.000 0.636 126 A CB -0.592 18.372 19.000 -0.059 0.000 0.810 126 A HN 0.738 nan 8.150 nan 0.000 0.448 127 D N -2.956 117.484 120.400 0.067 0.000 2.368 127 D HA -0.026 4.613 4.640 -0.001 0.000 0.218 127 D C 1.028 177.497 176.300 0.283 0.000 1.112 127 D CA -0.323 53.767 54.000 0.150 0.000 0.834 127 D CB -0.518 40.361 40.800 0.130 0.000 0.953 127 D HN 0.468 nan 8.370 nan 0.000 0.505 128 W N 2.234 123.514 121.300 -0.034 0.000 2.363 128 W HA 0.214 4.873 4.660 -0.001 0.000 0.296 128 W C 1.863 178.476 176.519 0.158 0.000 1.212 128 W CA 1.559 58.858 57.345 -0.077 0.000 1.260 128 W CB -0.730 28.358 29.460 -0.619 0.000 1.131 128 W HN 0.319 nan 8.180 nan 0.000 0.530 129 G N -0.003 109.034 108.800 0.396 0.000 2.562 129 G HA2 -0.438 3.521 3.960 -0.001 0.000 0.250 129 G HA3 -0.438 3.521 3.960 -0.001 0.000 0.250 129 G C 0.706 175.848 174.900 0.403 0.000 1.269 129 G CA 0.583 45.870 45.100 0.311 0.000 0.919 129 G HN 0.195 nan 8.290 nan 0.000 0.574 130 E N 0.112 120.468 120.200 0.260 0.000 2.072 130 E HA 0.443 4.792 4.350 -0.001 0.000 0.190 130 E C 1.257 178.015 176.600 0.264 0.000 0.982 130 E CA 2.355 58.885 56.400 0.217 0.000 0.803 130 E CB -0.121 29.633 29.700 0.091 0.000 0.755 130 E HN 1.751 nan 8.360 nan 0.000 0.453 131 A N -1.812 121.096 122.820 0.146 0.000 2.610 131 A HA 0.775 5.095 4.320 -0.001 0.000 0.291 131 A C -0.133 177.097 177.584 -0.590 0.000 1.086 131 A CA -0.370 51.553 52.037 -0.190 0.000 0.677 131 A CB 1.317 20.207 19.000 -0.184 0.000 1.278 131 A HN 0.333 nan 8.150 nan 0.000 0.414 132 G N -0.675 107.298 108.800 -1.379 0.000 2.321 132 G HA2 0.518 4.478 3.960 -0.001 0.000 0.296 132 G HA3 0.518 4.478 3.960 -0.001 0.000 0.296 132 G C -1.712 172.481 174.900 -1.178 0.000 1.287 132 G CA 0.093 44.510 45.100 -1.140 0.000 0.846 132 G HN 0.938 nan 8.290 nan 0.000 0.508 133 E N -0.822 119.000 120.200 -0.630 0.000 2.293 133 E HA 0.693 5.043 4.350 -0.001 0.000 0.270 133 E C -0.744 175.706 176.600 -0.249 0.000 0.879 133 E CA -0.964 55.204 56.400 -0.387 0.000 0.756 133 E CB 2.154 31.705 29.700 -0.248 0.000 1.208 133 E HN 0.797 nan 8.360 nan 0.000 0.428 134 I N -0.329 120.127 120.570 -0.189 0.000 2.969 134 I HA 0.559 4.728 4.170 -0.001 0.000 0.307 134 I C -1.089 174.991 176.117 -0.062 0.000 1.149 134 I CA -0.986 60.229 61.300 -0.142 0.000 1.008 134 I CB 2.211 40.052 38.000 -0.265 0.000 1.232 134 I HN 0.363 nan 8.210 nan 0.000 0.435 135 D N 4.073 124.465 120.400 -0.012 0.000 2.280 135 D HA 0.337 4.976 4.640 -0.001 0.000 0.236 135 D C 0.826 177.160 176.300 0.057 0.000 1.082 135 D CA -0.432 53.579 54.000 0.018 0.000 0.834 135 D CB 1.976 42.782 40.800 0.011 0.000 1.100 135 D HN 0.740 nan 8.370 nan 0.000 0.486 136 L N 3.466 124.733 121.223 0.073 0.000 2.042 136 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 136 L C 2.371 179.355 176.870 0.190 0.000 1.076 136 L CA 0.805 55.734 54.840 0.149 0.000 0.749 136 L CB -0.358 41.783 42.059 0.136 0.000 0.893 136 L HN 0.469 nan 8.230 nan 0.000 0.432 137 L N -0.022 121.259 121.223 0.098 0.000 2.017 137 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 137 L C 2.125 179.022 176.870 0.045 0.000 1.073 137 L CA 1.924 56.808 54.840 0.072 0.000 0.745 137 L CB -0.668 41.404 42.059 0.023 0.000 0.894 137 L HN 0.185 nan 8.230 nan 0.000 0.432 138 D N -0.917 119.497 120.400 0.024 0.000 2.097 138 D HA -0.243 4.396 4.640 -0.001 0.000 0.195 138 D C 2.016 178.335 176.300 0.032 0.000 0.989 138 D CA 1.673 55.675 54.000 0.003 0.000 0.827 138 D CB -0.363 40.448 40.800 0.018 0.000 0.966 138 D HN 0.400 nan 8.370 nan 0.000 0.456 139 F N 0.566 120.462 119.950 -0.090 0.000 2.051 139 F HA -0.173 4.353 4.527 -0.001 0.000 0.296 139 F C 2.079 177.742 175.800 -0.230 0.000 1.122 139 F CA 1.285 59.178 58.000 -0.179 0.000 1.201 139 F CB -0.408 38.412 39.000 -0.300 0.000 0.978 139 F HN -0.184 nan 8.300 nan 0.000 0.472 140 F N 0.411 120.354 119.950 -0.012 0.000 2.325 140 F HA 0.039 4.566 4.527 -0.001 0.000 0.299 140 F C 2.472 178.164 175.800 -0.180 0.000 1.090 140 F CA 0.843 58.749 58.000 -0.157 0.000 1.392 140 F CB -1.428 37.562 39.000 -0.016 0.000 1.053 140 F HN 0.084 nan 8.300 nan 0.000 0.521 141 A N -0.267 122.581 122.820 0.047 0.000 1.898 141 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 141 A C 2.224 179.837 177.584 0.048 0.000 1.181 141 A CA 1.822 53.905 52.037 0.078 0.000 0.620 141 A CB -0.784 18.271 19.000 0.092 0.000 0.819 141 A HN 0.410 nan 8.150 nan 0.000 0.442 142 E N -0.618 119.497 120.200 -0.142 0.000 2.072 142 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 142 E C 1.931 178.212 176.600 -0.531 0.000 0.985 142 E CA 1.184 57.378 56.400 -0.343 0.000 0.801 142 E CB -0.200 29.338 29.700 -0.270 0.000 0.750 142 E HN 0.409 nan 8.360 nan 0.000 0.452 143 L N 1.033 122.001 121.223 -0.424 0.000 2.012 143 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 143 L C 2.225 179.002 176.870 -0.155 0.000 1.073 143 L CA 2.276 56.924 54.840 -0.319 0.000 0.748 143 L CB -0.893 40.869 42.059 -0.494 0.000 0.891 143 L HN 0.110 nan 8.230 nan 0.000 0.431 144 T N 0.035 114.536 114.554 -0.089 0.000 2.962 144 T HA -0.064 4.286 4.350 -0.001 0.000 0.270 144 T C 1.961 176.693 174.700 0.054 0.000 1.088 144 T CA 1.064 63.167 62.100 0.005 0.000 1.127 144 T CB -0.178 68.663 68.868 -0.045 0.000 0.883 144 T HN 0.186 nan 8.240 nan 0.000 0.493 145 I N 0.417 120.936 120.570 -0.085 0.000 2.286 145 I HA -0.064 4.105 4.170 -0.001 0.000 0.245 145 I C 2.009 178.007 176.117 -0.199 0.000 1.104 145 I CA 1.385 62.540 61.300 -0.242 0.000 1.397 145 I CB -0.906 36.847 38.000 -0.413 0.000 1.072 145 I HN 0.258 nan 8.210 nan 0.000 0.417 146 Y N 1.341 121.583 120.300 -0.097 0.000 2.220 146 Y HA -0.161 4.388 4.550 -0.001 0.000 0.291 146 Y C 2.930 178.781 175.900 -0.083 0.000 1.129 146 Y CA 1.441 59.467 58.100 -0.122 0.000 1.161 146 Y CB -1.679 36.705 38.460 -0.128 0.000 0.997 146 Y HN 0.289 nan 8.280 nan 0.000 0.522 147 T N -3.435 111.175 114.554 0.094 0.000 2.777 147 T HA -0.191 4.158 4.350 -0.001 0.000 0.266 147 T C 2.244 176.991 174.700 0.079 0.000 1.040 147 T CA 1.423 63.569 62.100 0.076 0.000 1.141 147 T CB -0.924 67.978 68.868 0.057 0.000 0.868 147 T HN 0.261 nan 8.240 nan 0.000 0.444 148 S N 1.887 117.622 115.700 0.059 0.000 2.348 148 S HA -0.167 4.302 4.470 -0.001 0.000 0.221 148 S C 2.451 177.019 174.600 -0.054 0.000 1.033 148 S CA 2.037 60.248 58.200 0.018 0.000 1.010 148 S CB -0.929 62.277 63.200 0.009 0.000 0.891 148 S HN 0.828 nan 8.310 nan 0.000 0.442 149 S N 1.772 117.434 115.700 -0.062 0.000 2.368 149 S HA 0.051 4.520 4.470 -0.001 0.000 0.225 149 S C 2.146 176.728 174.600 -0.031 0.000 1.030 149 S CA 1.168 59.328 58.200 -0.066 0.000 0.999 149 S CB -1.059 62.090 63.200 -0.084 0.000 0.844 149 S HN 0.696 nan 8.310 nan 0.000 0.459 150 A N 0.749 123.567 122.820 -0.004 0.000 1.902 150 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 150 A C 2.496 180.087 177.584 0.012 0.000 1.181 150 A CA 1.489 53.532 52.037 0.011 0.000 0.623 150 A CB -1.423 17.590 19.000 0.022 0.000 0.818 150 A HN 0.703 nan 8.150 nan 0.000 0.443 151 C N -1.052 118.236 119.300 -0.020 0.000 2.486 151 C HA 0.115 4.574 4.460 -0.001 0.000 0.279 151 C C 2.604 177.485 174.990 -0.182 0.000 1.302 151 C CA 0.842 59.789 59.018 -0.119 0.000 1.720 151 C CB -1.278 26.279 27.740 -0.305 0.000 2.030 151 C HN 0.604 nan 8.230 nan 0.000 0.490 152 L N -0.206 120.895 121.223 -0.204 0.000 2.249 152 L HA 0.098 4.437 4.340 -0.001 0.000 0.207 152 L C 2.097 178.848 176.870 -0.198 0.000 1.090 152 L CA 1.294 56.008 54.840 -0.210 0.000 0.802 152 L CB -0.298 41.628 42.059 -0.222 0.000 0.947 152 L HN 0.327 nan 8.230 nan 0.000 0.453 153 I N -1.358 119.067 120.570 -0.241 0.000 3.300 153 I HA 0.301 4.470 4.170 -0.001 0.000 0.279 153 I C 0.773 176.784 176.117 -0.176 0.000 1.172 153 I CA 0.397 61.478 61.300 -0.365 0.000 1.431 153 I CB 0.510 38.036 38.000 -0.790 0.000 1.240 153 I HN 0.212 nan 8.210 nan 0.000 0.453 154 G N 0.828 109.589 108.800 -0.066 0.000 2.318 154 G HA2 0.009 3.968 3.960 -0.001 0.000 0.302 154 G HA3 0.009 3.968 3.960 -0.001 0.000 0.302 154 G C -0.265 174.660 174.900 0.042 0.000 1.633 154 G CA -0.702 44.402 45.100 0.007 0.000 0.965 154 G HN -0.040 nan 8.290 nan 0.000 0.698 155 K N 0.256 120.674 120.400 0.031 0.000 2.103 155 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 155 K C 2.440 179.043 176.600 0.004 0.000 1.048 155 K CA 1.535 57.828 56.287 0.010 0.000 0.930 155 K CB 0.055 32.559 32.500 0.006 0.000 0.716 155 K HN 0.477 nan 8.250 nan 0.000 0.444 156 K N 0.600 121.019 120.400 0.032 0.000 2.032 156 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 156 K C 2.027 178.662 176.600 0.058 0.000 1.048 156 K CA 1.445 57.755 56.287 0.038 0.000 0.927 156 K CB -0.171 32.364 32.500 0.060 0.000 0.712 156 K HN 0.049 nan 8.250 nan 0.000 0.441 157 F N 2.063 121.971 119.950 -0.069 0.000 2.113 157 F HA -0.127 4.400 4.527 -0.001 0.000 0.297 157 F C 2.498 178.224 175.800 -0.123 0.000 1.103 157 F CA 1.336 59.282 58.000 -0.090 0.000 1.248 157 F CB -0.292 38.614 39.000 -0.157 0.000 0.999 157 F HN -0.041 nan 8.300 nan 0.000 0.475 158 R N 0.904 121.323 120.500 -0.134 0.000 2.105 158 R HA -0.177 4.163 4.340 -0.001 0.000 0.239 158 R C 1.459 177.597 176.300 -0.270 0.000 1.135 158 R CA 2.086 58.044 56.100 -0.238 0.000 0.967 158 R CB -1.150 29.088 30.300 -0.102 0.000 0.861 158 R HN 0.270 nan 8.270 nan 0.000 0.442 159 D N 0.742 121.026 120.400 -0.193 0.000 2.309 159 D HA -0.119 4.521 4.640 -0.001 0.000 0.212 159 D C 1.178 177.370 176.300 -0.179 0.000 0.968 159 D CA 0.884 54.777 54.000 -0.177 0.000 0.882 159 D CB -0.002 40.731 40.800 -0.111 0.000 0.918 159 D HN 0.450 nan 8.370 nan 0.000 0.503 160 Q N -0.386 119.278 119.800 -0.227 0.000 2.280 160 Q HA 0.218 4.558 4.340 -0.001 0.000 0.201 160 Q C 0.179 176.032 176.000 -0.244 0.000 0.890 160 Q CA -0.001 55.682 55.803 -0.200 0.000 0.947 160 Q CB 0.913 29.550 28.738 -0.169 0.000 1.081 160 Q HN 0.230 nan 8.270 nan 0.000 0.502 161 L N 0.888 121.935 121.223 -0.293 0.000 2.334 161 L HA 0.424 4.764 4.340 -0.001 0.000 0.270 161 L C -0.401 176.445 176.870 -0.040 0.000 1.018 161 L CA -0.788 53.930 54.840 -0.204 0.000 0.811 161 L CB 1.355 43.213 42.059 -0.336 0.000 1.271 161 L HN 0.100 nan 8.230 nan 0.000 0.443 162 D N -0.473 119.989 120.400 0.103 0.000 2.867 162 D HA 0.259 4.898 4.640 -0.001 0.000 0.308 162 D C 0.886 177.340 176.300 0.257 0.000 1.202 162 D CA -0.212 53.884 54.000 0.159 0.000 1.035 162 D CB 0.588 41.432 40.800 0.073 0.000 1.427 162 D HN 0.430 nan 8.370 nan 0.000 0.570 163 G N -0.715 108.209 108.800 0.206 0.000 2.485 163 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.221 163 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.221 163 G C 1.288 176.264 174.900 0.125 0.000 1.115 163 G CA 0.804 45.995 45.100 0.151 0.000 0.751 163 G HN 0.375 nan 8.290 nan 0.000 0.567 164 R N -0.910 119.670 120.500 0.133 0.000 2.091 164 R HA -0.073 4.266 4.340 -0.001 0.000 0.238 164 R C 2.256 178.644 176.300 0.147 0.000 1.136 164 R CA 1.348 57.519 56.100 0.119 0.000 0.959 164 R CB -0.570 29.794 30.300 0.108 0.000 0.856 164 R HN 0.409 nan 8.270 nan 0.000 0.437 165 F N 1.368 121.349 119.950 0.052 0.000 2.126 165 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 165 F C 2.340 178.174 175.800 0.056 0.000 1.096 165 F CA 1.510 59.548 58.000 0.065 0.000 1.255 165 F CB -0.339 38.685 39.000 0.040 0.000 0.997 165 F HN 0.013 nan 8.300 nan 0.000 0.479 166 A N 0.135 123.094 122.820 0.233 0.000 1.902 166 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 166 A C 2.259 179.907 177.584 0.108 0.000 1.181 166 A CA 1.512 53.608 52.037 0.098 0.000 0.623 166 A CB -0.532 18.436 19.000 -0.052 0.000 0.818 166 A HN 0.245 nan 8.150 nan 0.000 0.443 167 K N -0.093 120.359 120.400 0.086 0.000 2.057 167 K HA -0.028 4.291 4.320 -0.001 0.000 0.207 167 K C 1.898 178.561 176.600 0.105 0.000 1.049 167 K CA 1.150 57.492 56.287 0.092 0.000 0.931 167 K CB -0.721 31.818 32.500 0.065 0.000 0.714 167 K HN 0.559 nan 8.250 nan 0.000 0.440 168 L N -0.740 120.506 121.223 0.039 0.000 2.056 168 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 168 L C 2.464 179.316 176.870 -0.029 0.000 1.078 168 L CA 1.116 55.943 54.840 -0.021 0.000 0.749 168 L CB -0.503 41.492 42.059 -0.105 0.000 0.901 168 L HN 0.071 nan 8.230 nan 0.000 0.433 169 Y N -0.206 120.003 120.300 -0.152 0.000 2.224 169 Y HA -0.330 4.219 4.550 -0.001 0.000 0.289 169 Y C 2.829 178.732 175.900 0.005 0.000 1.146 169 Y CA 1.923 59.951 58.100 -0.121 0.000 1.182 169 Y CB -0.139 38.207 38.460 -0.190 0.000 0.983 169 Y HN 0.221 nan 8.280 nan 0.000 0.524 170 H N 0.122 119.259 119.070 0.111 0.000 2.353 170 H HA -0.131 4.424 4.556 -0.001 0.000 0.300 170 H C 1.981 177.333 175.328 0.040 0.000 1.090 170 H CA 2.116 58.226 56.048 0.103 0.000 1.327 170 H CB 0.017 29.835 29.762 0.094 0.000 1.383 170 H HN 0.239 nan 8.280 nan 0.000 0.508 171 E N 0.357 120.553 120.200 -0.006 0.000 2.153 171 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 171 E C 2.552 179.092 176.600 -0.099 0.000 0.988 171 E CA 0.772 57.130 56.400 -0.070 0.000 0.811 171 E CB -0.194 29.500 29.700 -0.009 0.000 0.746 171 E HN 0.543 nan 8.360 nan 0.000 0.466 172 L N 0.721 121.872 121.223 -0.120 0.000 2.017 172 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 172 L C 2.339 179.182 176.870 -0.046 0.000 1.073 172 L CA 1.325 56.090 54.840 -0.125 0.000 0.745 172 L CB -0.411 41.499 42.059 -0.248 0.000 0.894 172 L HN 0.101 nan 8.230 nan 0.000 0.432 173 E N -0.324 119.849 120.200 -0.046 0.000 2.153 173 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 173 E C 2.177 178.719 176.600 -0.096 0.000 0.988 173 E CA 0.567 56.963 56.400 -0.007 0.000 0.811 173 E CB -0.002 29.669 29.700 -0.048 0.000 0.746 173 E HN 0.322 nan 8.360 nan 0.000 0.466 174 R N 0.235 120.623 120.500 -0.187 0.000 2.280 174 R HA -0.015 4.325 4.340 -0.001 0.000 0.207 174 R C 1.710 177.979 176.300 -0.052 0.000 1.043 174 R CA 0.737 56.738 56.100 -0.165 0.000 1.006 174 R CB -0.170 29.997 30.300 -0.223 0.000 0.885 174 R HN 0.112 nan 8.270 nan 0.000 0.467 175 G N 1.048 109.840 108.800 -0.014 0.000 3.440 175 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.263 175 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.263 175 G C 0.550 175.518 174.900 0.112 0.000 1.236 175 G CA 0.011 45.167 45.100 0.094 0.000 0.927 175 G HN 0.248 nan 8.290 nan 0.000 0.530 176 T N -2.478 112.093 114.554 0.028 0.000 3.258 176 T HA 0.195 4.545 4.350 -0.001 0.000 0.259 176 T C 0.041 174.691 174.700 -0.084 0.000 0.963 176 T CA -0.670 61.376 62.100 -0.091 0.000 0.919 176 T CB 0.494 69.178 68.868 -0.308 0.000 1.110 176 T HN 0.087 nan 8.240 nan 0.000 0.550 177 D N 2.392 122.874 120.400 0.137 0.000 2.472 177 D HA 0.067 4.706 4.640 -0.001 0.000 0.237 177 D C -1.526 174.880 176.300 0.176 0.000 1.141 177 D CA -1.610 52.443 54.000 0.089 0.000 0.875 177 D CB 1.674 42.459 40.800 -0.025 0.000 1.192 177 D HN 0.052 nan 8.370 nan 0.000 0.450 178 P HA -0.046 nan 4.420 nan 0.000 0.226 178 P C 1.424 178.953 177.300 0.381 0.000 1.146 178 P CA 0.566 63.898 63.100 0.387 0.000 0.773 178 P CB 0.156 32.130 31.700 0.457 0.000 0.772 179 L N -1.310 120.058 121.223 0.243 0.000 2.353 179 L HA -0.143 4.197 4.340 -0.001 0.000 0.220 179 L C 2.225 179.255 176.870 0.268 0.000 1.133 179 L CA 0.780 55.727 54.840 0.178 0.000 0.798 179 L CB -0.775 41.307 42.059 0.040 0.000 0.922 179 L HN 0.007 nan 8.230 nan 0.000 0.445 180 A N -0.849 122.180 122.820 0.348 0.000 2.076 180 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 180 A C 1.797 179.362 177.584 -0.031 0.000 1.160 180 A CA 1.226 53.343 52.037 0.133 0.000 0.653 180 A CB -0.669 18.361 19.000 0.050 0.000 0.801 180 A HN 0.447 nan 8.150 nan 0.000 0.455 181 Y N -1.174 119.200 120.300 0.122 0.000 2.571 181 Y HA -0.015 4.535 4.550 -0.001 0.000 0.294 181 Y C 2.178 178.081 175.900 0.005 0.000 1.141 181 Y CA 0.922 59.059 58.100 0.062 0.000 1.308 181 Y CB 0.077 38.571 38.460 0.057 0.000 1.002 181 Y HN 0.152 nan 8.280 nan 0.000 0.551 182 V N -0.978 118.988 119.914 0.087 0.000 2.436 182 V HA -0.003 4.117 4.120 -0.001 0.000 0.240 182 V C -0.241 175.878 176.094 0.041 0.000 1.040 182 V CA 1.223 63.523 62.300 -0.000 0.000 1.052 182 V CB 0.213 31.955 31.823 -0.136 0.000 0.707 182 V HN 0.206 nan 8.190 nan 0.000 0.469 183 D N -2.253 118.187 120.400 0.066 0.000 2.711 183 D HA 0.258 4.898 4.640 -0.001 0.000 0.204 183 D C -2.663 173.658 176.300 0.034 0.000 1.257 183 D CA -0.837 53.203 54.000 0.067 0.000 0.808 183 D CB 2.034 42.905 40.800 0.118 0.000 1.780 183 D HN -0.093 nan 8.370 nan 0.000 0.537 184 P HA 0.042 nan 4.420 nan 0.000 0.234 184 P C -0.143 176.581 177.300 -0.961 0.000 1.167 184 P CA 0.823 63.508 63.100 -0.692 0.000 0.763 184 P CB 0.015 31.218 31.700 -0.827 0.000 0.835 185 Y N -1.557 118.684 120.300 -0.098 0.000 2.720 185 Y HA 0.257 4.806 4.550 -0.001 0.000 0.268 185 Y C 0.818 176.812 175.900 0.158 0.000 1.142 185 Y CA -0.718 57.375 58.100 -0.012 0.000 1.193 185 Y CB -0.385 38.057 38.460 -0.031 0.000 1.176 185 Y HN -0.189 nan 8.280 nan 0.000 0.542 186 L N 3.956 125.423 121.223 0.406 0.000 2.483 186 L HA 0.093 4.433 4.340 -0.001 0.000 0.276 186 L C -1.579 175.454 176.870 0.271 0.000 1.213 186 L CA -1.507 53.517 54.840 0.307 0.000 0.843 186 L CB 0.515 42.719 42.059 0.241 0.000 1.107 186 L HN 0.022 nan 8.230 nan 0.000 0.487 187 P HA 0.105 nan 4.420 nan 0.000 0.226 187 P C -0.619 176.707 177.300 0.042 0.000 1.783 187 P CA 0.158 63.320 63.100 0.104 0.000 0.980 187 P CB -0.639 31.107 31.700 0.076 0.000 1.967 188 I N -3.135 117.435 120.570 -0.001 0.000 2.648 188 I HA 0.452 4.622 4.170 -0.001 0.000 0.304 188 I C 1.506 177.583 176.117 -0.067 0.000 1.009 188 I CA -1.122 60.112 61.300 -0.109 0.000 1.114 188 I CB 1.822 39.632 38.000 -0.317 0.000 1.293 188 I HN -0.258 nan 8.210 nan 0.000 0.449 189 E N 2.796 122.959 120.200 -0.062 0.000 2.070 189 E HA -0.242 4.108 4.350 -0.001 0.000 0.197 189 E C 1.968 178.561 176.600 -0.012 0.000 1.004 189 E CA 2.686 59.071 56.400 -0.024 0.000 0.805 189 E CB -0.156 29.527 29.700 -0.027 0.000 0.744 189 E HN 0.865 nan 8.360 nan 0.000 0.451 190 S N -0.717 114.943 115.700 -0.066 0.000 2.399 190 S HA -0.126 4.344 4.470 -0.001 0.000 0.231 190 S C 1.924 176.616 174.600 0.154 0.000 1.022 190 S CA 1.007 59.199 58.200 -0.013 0.000 0.983 190 S CB -0.547 62.603 63.200 -0.083 0.000 0.803 190 S HN 0.208 nan 8.310 nan 0.000 0.480 191 F N 2.197 122.126 119.950 -0.035 0.000 2.234 191 F HA 0.300 4.826 4.527 -0.001 0.000 0.296 191 F C 2.670 178.455 175.800 -0.024 0.000 1.089 191 F CA 0.140 58.113 58.000 -0.045 0.000 1.343 191 F CB -0.962 38.011 39.000 -0.044 0.000 1.040 191 F HN 0.251 nan 8.300 nan 0.000 0.498 192 R N 0.677 121.287 120.500 0.183 0.000 2.075 192 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 192 R C 2.307 178.650 176.300 0.071 0.000 1.126 192 R CA 1.301 57.464 56.100 0.106 0.000 0.963 192 R CB -0.091 30.253 30.300 0.073 0.000 0.858 192 R HN 0.155 nan 8.270 nan 0.000 0.435 193 R N -0.130 120.407 120.500 0.061 0.000 2.115 193 R HA -0.105 4.234 4.340 -0.001 0.000 0.230 193 R C 2.482 178.797 176.300 0.025 0.000 1.111 193 R CA 1.267 57.389 56.100 0.037 0.000 0.976 193 R CB -0.336 29.980 30.300 0.027 0.000 0.870 193 R HN 0.249 nan 8.270 nan 0.000 0.445 194 R N 1.165 121.689 120.500 0.039 0.000 2.073 194 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 194 R C 1.124 177.410 176.300 -0.024 0.000 1.134 194 R CA 2.018 58.116 56.100 -0.004 0.000 0.952 194 R CB -0.114 30.185 30.300 -0.002 0.000 0.850 194 R HN 0.127 nan 8.270 nan 0.000 0.433 195 D N 0.491 120.891 120.400 0.000 0.000 2.117 195 D HA -0.139 4.501 4.640 -0.001 0.000 0.198 195 D C 1.895 178.198 176.300 0.006 0.000 0.982 195 D CA 0.945 54.947 54.000 0.003 0.000 0.828 195 D CB -0.162 40.658 40.800 0.034 0.000 0.967 195 D HN 0.289 nan 8.370 nan 0.000 0.464 196 E N 0.867 121.076 120.200 0.014 0.000 2.077 196 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 196 E C 2.113 178.713 176.600 0.000 0.000 0.989 196 E CA 0.766 57.173 56.400 0.013 0.000 0.800 196 E CB -0.235 29.476 29.700 0.019 0.000 0.746 196 E HN 0.213 nan 8.360 nan 0.000 0.452 197 A N 1.412 124.225 122.820 -0.012 0.000 1.902 197 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 197 A C 2.222 179.776 177.584 -0.050 0.000 1.181 197 A CA 1.627 53.645 52.037 -0.032 0.000 0.623 197 A CB -0.473 18.500 19.000 -0.045 0.000 0.818 197 A HN 0.117 nan 8.150 nan 0.000 0.443 198 R N -0.240 120.232 120.500 -0.048 0.000 2.081 198 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 198 R C 1.702 177.994 176.300 -0.014 0.000 1.131 198 R CA 1.572 57.647 56.100 -0.043 0.000 0.960 198 R CB -0.271 30.006 30.300 -0.038 0.000 0.856 198 R HN 0.534 nan 8.270 nan 0.000 0.436 199 N N -0.130 118.569 118.700 -0.002 0.000 2.166 199 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 199 N C 1.680 177.199 175.510 0.016 0.000 1.019 199 N CA 1.456 54.513 53.050 0.012 0.000 0.856 199 N CB -0.466 38.030 38.487 0.015 0.000 0.993 199 N HN 0.388 nan 8.380 nan 0.000 0.426 200 G N 1.203 110.006 108.800 0.005 0.000 2.408 200 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.217 200 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.217 200 G C 1.725 176.631 174.900 0.010 0.000 1.150 200 G CA 0.222 45.327 45.100 0.010 0.000 0.776 200 G HN 0.209 nan 8.290 nan 0.000 0.542 201 L N 0.205 121.415 121.223 -0.021 0.000 2.056 201 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 201 L C 2.983 179.903 176.870 0.082 0.000 1.078 201 L CA 0.338 55.163 54.840 -0.025 0.000 0.749 201 L CB -0.372 41.624 42.059 -0.105 0.000 0.901 201 L HN 0.078 nan 8.230 nan 0.000 0.433 202 V N 0.129 120.081 119.914 0.064 0.000 2.332 202 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 202 V C 2.751 178.899 176.094 0.090 0.000 1.055 202 V CA 1.873 64.220 62.300 0.078 0.000 1.038 202 V CB -0.923 30.930 31.823 0.049 0.000 0.651 202 V HN 0.495 nan 8.190 nan 0.000 0.450 203 A N -0.400 122.464 122.820 0.074 0.000 1.902 203 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 203 A C 2.226 179.871 177.584 0.102 0.000 1.181 203 A CA 1.713 53.795 52.037 0.075 0.000 0.623 203 A CB -0.501 18.533 19.000 0.057 0.000 0.818 203 A HN 0.501 nan 8.150 nan 0.000 0.443 204 L N -0.632 120.667 121.223 0.127 0.000 2.046 204 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 204 L C 2.527 179.527 176.870 0.217 0.000 1.077 204 L CA 1.100 56.042 54.840 0.170 0.000 0.747 204 L CB -0.537 41.657 42.059 0.224 0.000 0.896 204 L HN 0.257 nan 8.230 nan 0.000 0.432 205 V N -0.004 120.069 119.914 0.264 0.000 2.358 205 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 205 V C 2.729 178.946 176.094 0.205 0.000 1.047 205 V CA 1.685 64.173 62.300 0.313 0.000 1.035 205 V CB -0.739 31.268 31.823 0.306 0.000 0.658 205 V HN 0.467 nan 8.190 nan 0.000 0.452 206 A N -0.159 122.747 122.820 0.143 0.000 1.902 206 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 206 A C 2.001 179.646 177.584 0.102 0.000 1.181 206 A CA 1.979 54.078 52.037 0.105 0.000 0.623 206 A CB -0.568 18.479 19.000 0.079 0.000 0.818 206 A HN 0.537 nan 8.150 nan 0.000 0.443 207 D N 0.030 120.493 120.400 0.104 0.000 2.117 207 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 207 D C 1.877 178.233 176.300 0.094 0.000 0.987 207 D CA 1.113 55.166 54.000 0.087 0.000 0.829 207 D CB -0.315 40.533 40.800 0.080 0.000 0.961 207 D HN 0.531 nan 8.370 nan 0.000 0.460 208 I N 0.468 121.114 120.570 0.126 0.000 2.226 208 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 208 I C 2.497 178.697 176.117 0.137 0.000 1.100 208 I CA 0.817 62.197 61.300 0.134 0.000 1.374 208 I CB -0.166 37.953 38.000 0.199 0.000 1.057 208 I HN -0.043 nan 8.210 nan 0.000 0.413 209 M N 0.222 119.910 119.600 0.147 0.000 2.080 209 M HA -0.246 4.234 4.480 -0.001 0.000 0.260 209 M C 1.941 178.294 176.300 0.088 0.000 1.068 209 M CA 2.173 57.545 55.300 0.121 0.000 1.109 209 M CB -0.718 31.946 32.600 0.107 0.000 1.342 209 M HN 0.268 nan 8.290 nan 0.000 0.405 210 N N -0.181 118.565 118.700 0.077 0.000 2.223 210 N HA -0.109 4.631 4.740 -0.001 0.000 0.185 210 N C 1.795 177.338 175.510 0.054 0.000 1.016 210 N CA 0.928 54.013 53.050 0.059 0.000 0.863 210 N CB -0.288 38.231 38.487 0.053 0.000 0.983 210 N HN 0.434 nan 8.380 nan 0.000 0.429 211 G N 1.304 110.139 108.800 0.060 0.000 2.422 211 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 211 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 211 G C 1.551 176.480 174.900 0.048 0.000 1.146 211 G CA 0.381 45.511 45.100 0.049 0.000 0.769 211 G HN 0.265 nan 8.290 nan 0.000 0.547 212 R N -0.265 120.272 120.500 0.061 0.000 2.148 212 R HA 0.152 4.491 4.340 -0.001 0.000 0.223 212 R C 2.454 178.783 176.300 0.048 0.000 1.088 212 R CA 0.522 56.657 56.100 0.058 0.000 0.985 212 R CB -0.253 30.093 30.300 0.076 0.000 0.880 212 R HN 0.397 nan 8.270 nan 0.000 0.451 213 I N 0.451 121.049 120.570 0.047 0.000 2.202 213 I HA -0.214 3.956 4.170 -0.001 0.000 0.242 213 I C 2.477 178.613 176.117 0.032 0.000 1.091 213 I CA 1.319 62.642 61.300 0.039 0.000 1.368 213 I CB -0.309 37.714 38.000 0.038 0.000 1.058 213 I HN 0.141 nan 8.210 nan 0.000 0.410 214 A N -0.036 122.803 122.820 0.031 0.000 2.016 214 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 214 A C 1.212 178.810 177.584 0.023 0.000 1.162 214 A CA 1.155 53.208 52.037 0.025 0.000 0.662 214 A CB -0.352 18.663 19.000 0.025 0.000 0.812 214 A HN 0.459 nan 8.150 nan 0.000 0.450 215 N N 0.180 118.896 118.700 0.025 0.000 2.765 215 N HA 0.372 5.111 4.740 -0.001 0.000 0.277 215 N C -2.894 172.630 175.510 0.024 0.000 1.750 215 N CA -1.342 51.721 53.050 0.022 0.000 0.827 215 N CB 0.399 38.897 38.487 0.019 0.000 1.200 215 N HN 0.031 nan 8.380 nan 0.000 0.494 223 R N 0.954 121.470 120.500 0.027 0.000 2.698 223 R HA 0.478 4.818 4.340 -0.001 0.000 0.266 223 R C -0.011 176.309 176.300 0.033 0.000 1.026 223 R CA 0.578 56.699 56.100 0.035 0.000 1.102 223 R CB 0.407 30.727 30.300 0.032 0.000 0.978 223 R HN 0.810 nan 8.270 nan 0.000 0.436 224 D N 0.805 121.229 120.400 0.040 0.000 2.758 224 D HA 0.069 4.709 4.640 -0.001 0.000 0.262 224 D C 0.556 176.868 176.300 0.021 0.000 1.113 224 D CA -0.828 53.187 54.000 0.025 0.000 1.114 224 D CB 0.245 41.062 40.800 0.028 0.000 1.363 224 D HN 0.390 nan 8.370 nan 0.000 0.617 225 M N -0.572 119.019 119.600 -0.014 0.000 2.374 225 M HA 0.004 4.484 4.480 -0.001 0.000 0.264 225 M C 1.398 177.752 176.300 0.091 0.000 1.067 225 M CA 0.872 56.181 55.300 0.014 0.000 1.103 225 M CB -0.117 32.459 32.600 -0.039 0.000 1.402 225 M HN 0.419 nan 8.290 nan 0.000 0.444 226 L N 0.529 121.819 121.223 0.113 0.000 2.056 226 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 226 L C 1.653 178.590 176.870 0.111 0.000 1.078 226 L CA 1.971 56.922 54.840 0.185 0.000 0.749 226 L CB -0.835 41.351 42.059 0.212 0.000 0.901 226 L HN 0.270 nan 8.230 nan 0.000 0.433 227 D N -0.785 119.671 120.400 0.094 0.000 2.144 227 D HA -0.153 4.486 4.640 -0.001 0.000 0.199 227 D C 2.315 178.658 176.300 0.071 0.000 0.984 227 D CA 1.576 55.624 54.000 0.079 0.000 0.834 227 D CB -0.128 40.712 40.800 0.066 0.000 0.955 227 D HN 0.292 nan 8.370 nan 0.000 0.465 228 V N 1.418 121.371 119.914 0.064 0.000 2.287 228 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 228 V C 2.679 178.828 176.094 0.091 0.000 1.053 228 V CA 1.241 63.579 62.300 0.064 0.000 1.027 228 V CB -0.481 31.370 31.823 0.047 0.000 0.646 228 V HN 0.183 nan 8.190 nan 0.000 0.447 229 L N -0.813 120.455 121.223 0.075 0.000 2.093 229 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 229 L C 2.349 179.351 176.870 0.220 0.000 1.085 229 L CA 1.495 56.402 54.840 0.112 0.000 0.755 229 L CB -0.494 41.493 42.059 -0.119 0.000 0.904 229 L HN 0.258 nan 8.230 nan 0.000 0.435 230 I N 0.132 120.779 120.570 0.128 0.000 2.361 230 I HA -0.271 3.898 4.170 -0.001 0.000 0.251 230 I C 2.697 178.872 176.117 0.098 0.000 1.133 230 I CA 1.106 62.475 61.300 0.114 0.000 1.413 230 I CB -0.389 37.663 38.000 0.087 0.000 1.073 230 I HN 0.207 nan 8.210 nan 0.000 0.424 231 A N 0.377 123.252 122.820 0.091 0.000 2.066 231 A HA 0.014 4.333 4.320 -0.001 0.000 0.218 231 A C 1.249 178.864 177.584 0.052 0.000 1.157 231 A CA 0.355 52.430 52.037 0.063 0.000 0.670 231 A CB -0.575 18.459 19.000 0.057 0.000 0.804 231 A HN 0.160 nan 8.150 nan 0.000 0.453 232 V N 2.340 122.303 119.914 0.083 0.000 2.529 232 V HA 0.099 4.218 4.120 -0.001 0.000 0.292 232 V C 0.084 176.133 176.094 -0.075 0.000 1.028 232 V CA 0.107 62.419 62.300 0.020 0.000 1.074 232 V CB 0.400 32.263 31.823 0.066 0.000 0.958 232 V HN 0.300 nan 8.190 nan 0.000 0.481 233 K N 3.307 123.658 120.400 -0.081 0.000 2.156 233 K HA 0.763 5.083 4.320 -0.001 0.000 0.250 233 K C 0.174 176.696 176.600 -0.131 0.000 0.955 233 K CA -0.377 55.854 56.287 -0.093 0.000 0.855 233 K CB 2.141 34.610 32.500 -0.051 0.000 1.101 233 K HN 0.732 nan 8.250 nan 0.000 0.434 234 A N 1.311 124.054 122.820 -0.129 0.000 2.259 234 A HA 0.400 4.719 4.320 -0.001 0.000 0.278 234 A C 1.051 178.586 177.584 -0.083 0.000 1.107 234 A CA 0.425 52.385 52.037 -0.128 0.000 0.828 234 A CB -0.239 18.690 19.000 -0.119 0.000 1.111 234 A HN 0.760 nan 8.150 nan 0.000 0.498 235 E N -1.140 119.017 120.200 -0.072 0.000 2.505 235 E HA 0.297 4.647 4.350 -0.001 0.000 0.197 235 E C 0.953 177.529 176.600 -0.040 0.000 1.111 235 E CA 1.620 57.990 56.400 -0.050 0.000 0.887 235 E CB -1.313 28.360 29.700 -0.044 0.000 0.913 235 E HN 1.251 nan 8.360 nan 0.000 0.517 236 T N -3.220 111.308 114.554 -0.043 0.000 3.058 236 T HA 0.514 4.863 4.350 -0.001 0.000 0.278 236 T C 1.815 176.497 174.700 -0.030 0.000 0.974 236 T CA 0.860 62.941 62.100 -0.033 0.000 0.893 236 T CB 0.265 69.114 68.868 -0.032 0.000 1.138 236 T HN 1.305 nan 8.240 nan 0.000 0.529 237 G N 1.485 110.264 108.800 -0.035 0.000 2.213 237 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.236 237 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.236 237 G C 0.615 175.497 174.900 -0.031 0.000 0.991 237 G CA 0.807 45.889 45.100 -0.029 0.000 0.629 237 G HN 1.455 nan 8.290 nan 0.000 0.517 238 T N -0.173 114.358 114.554 -0.038 0.000 2.882 238 T HA 0.595 4.944 4.350 -0.001 0.000 0.287 238 T C -2.451 172.216 174.700 -0.055 0.000 1.014 238 T CA -1.433 60.645 62.100 -0.037 0.000 1.049 238 T CB 1.896 70.743 68.868 -0.035 0.000 1.001 238 T HN 0.063 nan 8.240 nan 0.000 0.525 239 P HA 0.157 nan 4.420 nan 0.000 0.264 239 P C 0.589 177.819 177.300 -0.117 0.000 1.193 239 P CA -0.290 62.777 63.100 -0.054 0.000 0.763 239 P CB 0.499 32.194 31.700 -0.010 0.000 0.810 240 R N 3.170 123.529 120.500 -0.234 0.000 2.073 240 R HA 0.011 4.350 4.340 -0.001 0.000 0.229 240 R C 0.049 176.058 176.300 -0.484 0.000 1.120 240 R CA 1.085 56.913 56.100 -0.453 0.000 0.967 240 R CB -0.056 29.780 30.300 -0.774 0.000 0.862 240 R HN 0.316 nan 8.270 nan 0.000 0.436 241 F N 0.913 120.845 119.950 -0.030 0.000 2.420 241 F HA 0.279 4.806 4.527 -0.001 0.000 0.342 241 F C 0.480 176.255 175.800 -0.041 0.000 1.113 241 F CA -1.004 56.970 58.000 -0.044 0.000 1.059 241 F CB 1.704 40.664 39.000 -0.066 0.000 1.128 241 F HN -0.013 nan 8.300 nan 0.000 0.475 242 S N 1.322 117.117 115.700 0.158 0.000 2.693 242 S HA 0.649 5.118 4.470 -0.001 0.000 0.276 242 S C 1.064 175.695 174.600 0.050 0.000 1.192 242 S CA -0.295 57.951 58.200 0.077 0.000 0.994 242 S CB 1.496 64.728 63.200 0.052 0.000 1.012 242 S HN 0.779 nan 8.310 nan 0.000 0.550 243 A N 0.531 123.372 122.820 0.035 0.000 1.940 243 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 243 A C 1.752 179.337 177.584 0.001 0.000 1.176 243 A CA 2.110 54.159 52.037 0.020 0.000 0.631 243 A CB -1.420 17.608 19.000 0.047 0.000 0.814 243 A HN 1.007 nan 8.150 nan 0.000 0.446 244 D N -0.510 119.899 120.400 0.015 0.000 2.097 244 D HA -0.164 4.475 4.640 -0.001 0.000 0.195 244 D C 1.910 178.203 176.300 -0.012 0.000 0.989 244 D CA 1.721 55.728 54.000 0.012 0.000 0.827 244 D CB -0.157 40.656 40.800 0.021 0.000 0.966 244 D HN 0.624 nan 8.370 nan 0.000 0.456 245 E N -0.161 120.035 120.200 -0.007 0.000 2.077 245 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 245 E C 2.409 178.910 176.600 -0.165 0.000 0.989 245 E CA 0.775 57.156 56.400 -0.031 0.000 0.800 245 E CB -0.081 29.663 29.700 0.073 0.000 0.746 245 E HN 0.447 nan 8.360 nan 0.000 0.452 246 I N 1.092 121.523 120.570 -0.232 0.000 2.226 246 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 246 I C 2.360 178.140 176.117 -0.562 0.000 1.100 246 I CA 1.133 62.124 61.300 -0.515 0.000 1.374 246 I CB -0.385 37.316 38.000 -0.498 0.000 1.057 246 I HN 0.109 nan 8.210 nan 0.000 0.413 247 T N 0.454 114.864 114.554 -0.240 0.000 2.746 247 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 247 T C 1.922 176.645 174.700 0.039 0.000 1.039 247 T CA 1.493 63.572 62.100 -0.036 0.000 1.142 247 T CB -0.713 68.194 68.868 0.065 0.000 0.866 247 T HN 0.582 nan 8.240 nan 0.000 0.444 248 G N 1.146 109.943 108.800 -0.005 0.000 2.422 248 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.218 248 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.218 248 G C 1.562 176.475 174.900 0.022 0.000 1.146 248 G CA 0.651 45.781 45.100 0.049 0.000 0.769 248 G HN 0.410 nan 8.290 nan 0.000 0.547 249 M N -0.246 119.300 119.600 -0.089 0.000 2.086 249 M HA 0.061 4.540 4.480 -0.001 0.000 0.261 249 M C 2.322 178.706 176.300 0.140 0.000 1.067 249 M CA 1.105 56.356 55.300 -0.083 0.000 1.116 249 M CB -0.384 32.080 32.600 -0.227 0.000 1.348 249 M HN 0.121 nan 8.290 nan 0.000 0.407 250 F N 0.724 120.671 119.950 -0.006 0.000 2.134 250 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 250 F C 2.276 178.212 175.800 0.226 0.000 1.097 250 F CA 0.894 58.926 58.000 0.055 0.000 1.264 250 F CB -1.171 37.863 39.000 0.056 0.000 1.001 250 F HN 0.092 nan 8.300 nan 0.000 0.479 251 I N -0.946 119.920 120.570 0.494 0.000 2.179 251 I HA -0.330 3.839 4.170 -0.001 0.000 0.242 251 I C 2.704 179.170 176.117 0.581 0.000 1.088 251 I CA 1.608 63.264 61.300 0.593 0.000 1.357 251 I CB -0.592 37.666 38.000 0.430 0.000 1.051 251 I HN 0.094 nan 8.210 nan 0.000 0.409 252 S N 0.652 116.535 115.700 0.304 0.000 2.368 252 S HA -0.201 4.269 4.470 -0.001 0.000 0.225 252 S C 2.137 176.811 174.600 0.123 0.000 1.030 252 S CA 1.436 59.623 58.200 -0.021 0.000 0.999 252 S CB -0.173 62.685 63.200 -0.570 0.000 0.844 252 S HN 0.276 nan 8.310 nan 0.000 0.459 253 M N 0.106 119.783 119.600 0.129 0.000 2.159 253 M HA -0.052 4.428 4.480 -0.001 0.000 0.263 253 M C 2.147 178.527 176.300 0.133 0.000 1.063 253 M CA 1.566 56.919 55.300 0.089 0.000 1.110 253 M CB -0.316 32.314 32.600 0.050 0.000 1.374 253 M HN 0.386 nan 8.290 nan 0.000 0.411 254 M N -1.963 117.780 119.600 0.239 0.000 2.510 254 M HA 0.015 4.494 4.480 -0.001 0.000 0.256 254 M C 1.741 178.255 176.300 0.356 0.000 1.132 254 M CA 0.580 56.005 55.300 0.209 0.000 1.105 254 M CB -0.074 32.587 32.600 0.102 0.000 1.375 254 M HN 0.111 nan 8.290 nan 0.000 0.477 255 F N 1.522 121.738 119.950 0.444 0.000 2.134 255 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 255 F C 2.443 178.499 175.800 0.428 0.000 1.097 255 F CA 1.762 60.086 58.000 0.539 0.000 1.264 255 F CB -0.176 39.164 39.000 0.567 0.000 1.001 255 F HN 0.099 nan 8.300 nan 0.000 0.479 256 A N -0.211 122.904 122.820 0.492 0.000 1.883 256 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 256 A C 2.400 180.051 177.584 0.113 0.000 1.186 256 A CA 1.839 54.066 52.037 0.317 0.000 0.624 256 A CB -1.689 17.458 19.000 0.246 0.000 0.822 256 A HN 0.459 nan 8.150 nan 0.000 0.444 257 G N -2.540 106.328 108.800 0.114 0.000 2.623 257 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.214 257 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.214 257 G C 1.431 176.346 174.900 0.025 0.000 1.138 257 G CA 0.855 45.996 45.100 0.068 0.000 0.794 257 G HN 0.715 nan 8.290 nan 0.000 0.535 258 H N 1.452 120.497 119.070 -0.042 0.000 2.268 258 H HA -0.154 4.401 4.556 -0.001 0.000 0.304 258 H C 2.503 177.805 175.328 -0.043 0.000 1.064 258 H CA 1.953 57.965 56.048 -0.060 0.000 1.316 258 H CB -0.211 29.489 29.762 -0.104 0.000 1.386 258 H HN 0.602 nan 8.280 nan 0.000 0.496 259 H N -0.224 118.740 119.070 -0.177 0.000 2.423 259 H HA -0.066 4.489 4.556 -0.001 0.000 0.297 259 H C 2.223 177.484 175.328 -0.111 0.000 1.075 259 H CA 2.070 58.011 56.048 -0.179 0.000 1.342 259 H CB -0.627 29.081 29.762 -0.091 0.000 1.395 259 H HN 0.361 nan 8.280 nan 0.000 0.530 260 T N -2.183 111.996 114.554 -0.625 0.000 2.770 260 T HA -0.095 4.254 4.350 -0.001 0.000 0.263 260 T C 2.214 176.815 174.700 -0.165 0.000 1.039 260 T CA 1.155 63.036 62.100 -0.365 0.000 1.142 260 T CB -0.730 67.936 68.868 -0.337 0.000 0.868 260 T HN 0.356 nan 8.240 nan 0.000 0.435 261 S N 1.364 116.978 115.700 -0.143 0.000 2.383 261 S HA -0.059 4.410 4.470 -0.001 0.000 0.227 261 S C 2.391 176.904 174.600 -0.144 0.000 1.026 261 S CA 1.142 59.286 58.200 -0.093 0.000 0.981 261 S CB -0.642 62.534 63.200 -0.041 0.000 0.818 261 S HN 0.650 nan 8.310 nan 0.000 0.472 262 S N 1.279 116.856 115.700 -0.204 0.000 2.348 262 S HA -0.081 4.389 4.470 -0.001 0.000 0.221 262 S C 2.107 176.637 174.600 -0.118 0.000 1.033 262 S CA 1.660 59.756 58.200 -0.174 0.000 1.010 262 S CB -0.894 62.141 63.200 -0.277 0.000 0.891 262 S HN 0.575 nan 8.310 nan 0.000 0.442 263 G N 0.105 108.873 108.800 -0.053 0.000 2.418 263 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.217 263 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.217 263 G C 1.524 176.470 174.900 0.077 0.000 1.158 263 G CA 1.464 46.600 45.100 0.060 0.000 0.771 263 G HN 0.570 nan 8.290 nan 0.000 0.545 264 T N 1.571 116.124 114.554 -0.002 0.000 2.788 264 T HA 0.044 4.393 4.350 -0.001 0.000 0.268 264 T C 2.795 177.450 174.700 -0.076 0.000 1.044 264 T CA 1.412 63.512 62.100 -0.001 0.000 1.139 264 T CB -0.290 68.557 68.868 -0.035 0.000 0.867 264 T HN 0.371 nan 8.240 nan 0.000 0.454 265 A N 1.278 123.954 122.820 -0.239 0.000 1.898 265 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 265 A C 2.622 179.834 177.584 -0.621 0.000 1.181 265 A CA 1.824 53.582 52.037 -0.464 0.000 0.620 265 A CB -0.857 17.529 19.000 -1.023 0.000 0.819 265 A HN 0.425 nan 8.150 nan 0.000 0.442 266 S N -1.348 113.997 115.700 -0.591 0.000 2.356 266 S HA -0.208 4.261 4.470 -0.001 0.000 0.223 266 S C 1.582 175.975 174.600 -0.346 0.000 1.032 266 S CA 1.487 59.488 58.200 -0.333 0.000 1.005 266 S CB -0.499 62.566 63.200 -0.226 0.000 0.867 266 S HN 0.780 nan 8.310 nan 0.000 0.449 267 W N 1.680 122.863 121.300 -0.195 0.000 2.425 267 W HA -0.032 4.627 4.660 -0.001 0.000 0.277 267 W C 2.631 179.035 176.519 -0.191 0.000 1.231 267 W CA 0.889 58.093 57.345 -0.236 0.000 1.248 267 W CB -0.771 28.517 29.460 -0.288 0.000 1.117 267 W HN 0.202 nan 8.180 nan 0.000 0.568 268 T N 0.795 115.337 114.554 -0.021 0.000 2.777 268 T HA -0.205 4.145 4.350 -0.001 0.000 0.266 268 T C 1.726 176.263 174.700 -0.272 0.000 1.040 268 T CA 1.327 63.317 62.100 -0.183 0.000 1.141 268 T CB -0.565 68.041 68.868 -0.436 0.000 0.868 268 T HN -0.042 nan 8.240 nan 0.000 0.444 269 L N 0.953 122.065 121.223 -0.185 0.000 2.056 269 L HA 0.119 4.459 4.340 -0.001 0.000 0.207 269 L C 2.101 178.880 176.870 -0.152 0.000 1.078 269 L CA 1.396 56.179 54.840 -0.094 0.000 0.749 269 L CB -0.682 41.438 42.059 0.101 0.000 0.901 269 L HN 0.269 nan 8.230 nan 0.000 0.433 270 I N -0.536 119.883 120.570 -0.251 0.000 2.179 270 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 270 I C 2.342 178.340 176.117 -0.199 0.000 1.088 270 I CA 1.163 62.233 61.300 -0.384 0.000 1.357 270 I CB -0.390 37.236 38.000 -0.623 0.000 1.051 270 I HN 0.284 nan 8.210 nan 0.000 0.409 271 E N 0.588 120.731 120.200 -0.094 0.000 2.150 271 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 271 E C 2.345 178.858 176.600 -0.146 0.000 0.985 271 E CA 0.982 57.286 56.400 -0.159 0.000 0.814 271 E CB -0.179 29.381 29.700 -0.233 0.000 0.752 271 E HN 0.520 nan 8.360 nan 0.000 0.466 272 L N 0.053 121.233 121.223 -0.072 0.000 2.056 272 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 272 L C 2.605 179.609 176.870 0.223 0.000 1.078 272 L CA 0.999 55.866 54.840 0.045 0.000 0.749 272 L CB -0.312 41.677 42.059 -0.117 0.000 0.901 272 L HN 0.134 nan 8.230 nan 0.000 0.433 273 M N -1.146 118.542 119.600 0.147 0.000 2.229 273 M HA -0.156 4.323 4.480 -0.001 0.000 0.264 273 M C 2.289 178.574 176.300 -0.025 0.000 1.063 273 M CA 1.488 56.864 55.300 0.127 0.000 1.114 273 M CB -0.315 32.314 32.600 0.047 0.000 1.387 273 M HN 0.118 nan 8.290 nan 0.000 0.420 274 R N -0.596 119.819 120.500 -0.140 0.000 2.189 274 R HA -0.024 4.315 4.340 -0.001 0.000 0.218 274 R C 0.158 176.110 176.300 -0.580 0.000 1.074 274 R CA 0.713 56.607 56.100 -0.343 0.000 0.991 274 R CB 0.055 30.092 30.300 -0.438 0.000 0.883 274 R HN 0.427 nan 8.270 nan 0.000 0.457 275 H N 0.098 119.131 119.070 -0.061 0.000 2.541 275 H HA 0.243 4.798 4.556 -0.001 0.000 0.246 275 H C 0.354 175.744 175.328 0.103 0.000 1.341 275 H CA -0.464 55.593 56.048 0.016 0.000 1.469 275 H CB 0.883 30.641 29.762 -0.007 0.000 1.472 275 H HN -0.054 nan 8.280 nan 0.000 0.503 276 R N 1.023 121.601 120.500 0.131 0.000 2.170 276 R HA -0.126 4.213 4.340 -0.001 0.000 0.242 276 R C 1.287 177.694 176.300 0.177 0.000 1.145 276 R CA 1.081 57.257 56.100 0.127 0.000 0.984 276 R CB -0.195 30.119 30.300 0.022 0.000 0.869 276 R HN 0.664 nan 8.270 nan 0.000 0.455 277 D N 0.301 120.809 120.400 0.180 0.000 2.144 277 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 277 D C 1.618 178.034 176.300 0.195 0.000 0.978 277 D CA 1.277 55.376 54.000 0.165 0.000 0.833 277 D CB -0.343 40.547 40.800 0.150 0.000 0.961 277 D HN 0.151 nan 8.370 nan 0.000 0.470 278 A N 0.037 123.006 122.820 0.248 0.000 1.897 278 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 278 A C 2.212 179.932 177.584 0.226 0.000 1.181 278 A CA 1.027 53.207 52.037 0.238 0.000 0.620 278 A CB -1.160 18.041 19.000 0.336 0.000 0.821 278 A HN 0.262 nan 8.150 nan 0.000 0.443 279 Y N 0.821 121.195 120.300 0.122 0.000 2.097 279 Y HA -0.183 4.367 4.550 -0.001 0.000 0.282 279 Y C 2.728 178.687 175.900 0.098 0.000 1.152 279 Y CA 1.291 59.452 58.100 0.102 0.000 1.136 279 Y CB -0.740 37.778 38.460 0.096 0.000 0.975 279 Y HN 0.305 nan 8.280 nan 0.000 0.498 280 A N 0.079 123.131 122.820 0.388 0.000 1.933 280 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 280 A C 2.433 180.125 177.584 0.181 0.000 1.175 280 A CA 1.986 54.179 52.037 0.260 0.000 0.628 280 A CB -1.443 17.653 19.000 0.160 0.000 0.814 280 A HN 0.577 nan 8.150 nan 0.000 0.444 281 A N -0.701 122.210 122.820 0.152 0.000 1.930 281 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 281 A C 2.211 179.849 177.584 0.091 0.000 1.175 281 A CA 1.672 53.772 52.037 0.106 0.000 0.627 281 A CB -0.808 18.249 19.000 0.095 0.000 0.815 281 A HN 0.365 nan 8.150 nan 0.000 0.443 282 V N 0.537 120.502 119.914 0.085 0.000 2.358 282 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 282 V C 2.431 178.565 176.094 0.066 0.000 1.047 282 V CA 1.553 63.880 62.300 0.045 0.000 1.035 282 V CB -0.598 31.210 31.823 -0.025 0.000 0.658 282 V HN 0.493 nan 8.190 nan 0.000 0.452 283 I N 0.273 120.905 120.570 0.103 0.000 2.179 283 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 283 I C 2.351 178.534 176.117 0.109 0.000 1.088 283 I CA 1.730 63.109 61.300 0.131 0.000 1.357 283 I CB -1.320 36.810 38.000 0.217 0.000 1.051 283 I HN 0.360 nan 8.210 nan 0.000 0.409 284 D N 0.406 120.867 120.400 0.102 0.000 2.123 284 D HA -0.230 4.410 4.640 -0.001 0.000 0.196 284 D C 2.082 178.423 176.300 0.069 0.000 0.992 284 D CA 1.232 55.280 54.000 0.080 0.000 0.833 284 D CB -0.149 40.694 40.800 0.072 0.000 0.954 284 D HN 0.465 nan 8.370 nan 0.000 0.455 285 E N 0.383 120.623 120.200 0.066 0.000 2.051 285 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 285 E C 2.416 179.054 176.600 0.064 0.000 0.991 285 E CA 0.557 56.989 56.400 0.053 0.000 0.799 285 E CB -0.062 29.667 29.700 0.047 0.000 0.748 285 E HN 0.196 nan 8.360 nan 0.000 0.449 286 L N 0.989 122.271 121.223 0.098 0.000 2.046 286 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 286 L C 2.220 179.203 176.870 0.189 0.000 1.077 286 L CA 1.202 56.145 54.840 0.171 0.000 0.747 286 L CB -0.412 41.735 42.059 0.147 0.000 0.896 286 L HN 0.161 nan 8.230 nan 0.000 0.432 287 D N -0.102 120.367 120.400 0.116 0.000 2.144 287 D HA -0.168 4.471 4.640 -0.001 0.000 0.199 287 D C 2.106 178.457 176.300 0.085 0.000 0.984 287 D CA 1.128 55.188 54.000 0.099 0.000 0.834 287 D CB -0.027 40.816 40.800 0.072 0.000 0.955 287 D HN 0.435 nan 8.370 nan 0.000 0.465 288 E N 0.395 120.631 120.200 0.060 0.000 2.028 288 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 288 E C 2.473 179.075 176.600 0.004 0.000 0.988 288 E CA 0.369 56.790 56.400 0.035 0.000 0.799 288 E CB -0.088 29.629 29.700 0.029 0.000 0.755 288 E HN 0.225 nan 8.360 nan 0.000 0.447 289 L N -0.001 121.191 121.223 -0.051 0.000 2.012 289 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 289 L C 2.216 178.844 176.870 -0.403 0.000 1.073 289 L CA 1.344 56.039 54.840 -0.241 0.000 0.748 289 L CB -0.462 41.350 42.059 -0.412 0.000 0.891 289 L HN 0.197 nan 8.230 nan 0.000 0.431 290 Y N -0.073 120.077 120.300 -0.250 0.000 2.632 290 Y HA -0.041 4.509 4.550 -0.001 0.000 0.301 290 Y C 2.278 178.177 175.900 -0.003 0.000 1.172 290 Y CA 0.606 58.631 58.100 -0.126 0.000 1.328 290 Y CB -0.556 37.862 38.460 -0.070 0.000 1.016 290 Y HN 0.114 nan 8.280 nan 0.000 0.529 291 G N -0.081 108.770 108.800 0.084 0.000 2.598 291 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.215 291 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.215 291 G C 1.103 176.038 174.900 0.058 0.000 1.131 291 G CA 0.906 46.049 45.100 0.071 0.000 0.785 291 G HN 0.484 nan 8.290 nan 0.000 0.539 292 D N -0.624 119.816 120.400 0.067 0.000 2.349 292 D HA 0.160 4.800 4.640 -0.001 0.000 0.224 292 D C 1.768 178.079 176.300 0.017 0.000 1.029 292 D CA 0.564 54.591 54.000 0.044 0.000 0.879 292 D CB -0.562 40.274 40.800 0.059 0.000 0.906 292 D HN 0.377 nan 8.370 nan 0.000 0.528 293 G N 0.175 109.014 108.800 0.065 0.000 2.162 293 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.260 293 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.260 293 G C 0.228 175.144 174.900 0.026 0.000 0.976 293 G CA -0.061 45.068 45.100 0.049 0.000 0.655 293 G HN 0.337 nan 8.290 nan 0.000 0.533 294 R N 0.952 121.458 120.500 0.010 0.000 2.500 294 R HA 0.602 4.942 4.340 -0.001 0.000 0.275 294 R C 1.172 177.577 176.300 0.175 0.000 1.051 294 R CA 0.212 56.242 56.100 -0.118 0.000 1.088 294 R CB 0.933 30.830 30.300 -0.672 0.000 1.063 294 R HN 0.635 nan 8.270 nan 0.000 0.511 295 S N -0.405 115.385 115.700 0.150 0.000 2.617 295 S HA 0.057 4.527 4.470 -0.001 0.000 0.259 295 S C 1.450 176.312 174.600 0.436 0.000 1.301 295 S CA -0.753 57.612 58.200 0.276 0.000 0.984 295 S CB 0.538 63.833 63.200 0.159 0.000 0.954 295 S HN 0.258 nan 8.310 nan 0.000 0.572 296 V N 1.731 121.897 119.914 0.420 0.000 2.515 296 V HA -0.143 3.977 4.120 -0.001 0.000 0.250 296 V C 2.918 179.169 176.094 0.261 0.000 1.058 296 V CA 2.097 64.654 62.300 0.427 0.000 1.064 296 V CB -1.447 30.523 31.823 0.244 0.000 0.675 296 V HN 1.052 nan 8.190 nan 0.000 0.461 297 S N -0.377 115.436 115.700 0.188 0.000 2.447 297 S HA -0.184 4.285 4.470 -0.001 0.000 0.233 297 S C 1.832 176.501 174.600 0.114 0.000 1.006 297 S CA 1.461 59.736 58.200 0.124 0.000 0.957 297 S CB -0.566 62.691 63.200 0.096 0.000 0.773 297 S HN 0.593 nan 8.310 nan 0.000 0.507 298 F N 2.296 122.225 119.950 -0.035 0.000 2.188 298 F HA 0.160 4.687 4.527 -0.000 0.000 0.289 298 F C 2.604 178.277 175.800 -0.211 0.000 1.082 298 F CA 1.228 59.132 58.000 -0.161 0.000 1.282 298 F CB -0.283 38.550 39.000 -0.278 0.000 1.060 298 F HN 0.155 nan 8.300 nan 0.000 0.493 299 H N -0.058 119.051 119.070 0.065 0.000 2.462 299 H HA 0.126 4.681 4.556 -0.001 0.000 0.292 299 H C 2.192 177.474 175.328 -0.077 0.000 1.049 299 H CA 1.049 57.028 56.048 -0.116 0.000 1.334 299 H CB -0.526 29.054 29.762 -0.304 0.000 1.404 299 H HN 0.387 nan 8.280 nan 0.000 0.544 300 A N 0.558 123.446 122.820 0.112 0.000 2.209 300 A HA 0.023 4.343 4.320 -0.001 0.000 0.212 300 A C 2.083 179.657 177.584 -0.017 0.000 1.158 300 A CA 0.485 52.564 52.037 0.071 0.000 0.742 300 A CB -0.361 18.688 19.000 0.082 0.000 0.790 300 A HN 0.283 nan 8.150 nan 0.000 0.472 301 L N -1.399 119.770 121.223 -0.091 0.000 2.808 301 L HA 0.271 4.610 4.340 -0.001 0.000 0.246 301 L C 0.645 177.406 176.870 -0.181 0.000 1.153 301 L CA -0.067 54.697 54.840 -0.126 0.000 0.956 301 L CB 0.137 42.112 42.059 -0.140 0.000 1.270 301 L HN 0.242 nan 8.230 nan 0.000 0.528 302 R N -0.770 119.617 120.500 -0.189 0.000 2.930 302 R HA 0.423 4.762 4.340 -0.001 0.000 0.257 302 R C -0.576 175.677 176.300 -0.079 0.000 1.107 302 R CA -0.853 55.135 56.100 -0.187 0.000 0.999 302 R CB 1.182 31.278 30.300 -0.340 0.000 1.209 302 R HN 0.005 nan 8.270 nan 0.000 0.486 303 Q N 1.041 120.805 119.800 -0.059 0.000 2.286 303 Q HA 0.122 4.462 4.340 -0.001 0.000 0.290 303 Q C -0.295 175.705 176.000 -0.000 0.000 1.049 303 Q CA 0.830 56.617 55.803 -0.026 0.000 0.923 303 Q CB 0.464 29.188 28.738 -0.024 0.000 1.183 303 Q HN 0.384 nan 8.270 nan 0.000 0.383 304 I N 4.272 124.844 120.570 0.004 0.000 2.867 304 I HA 0.130 4.299 4.170 -0.001 0.000 0.282 304 I C -2.070 174.052 176.117 0.008 0.000 1.437 304 I CA -1.805 59.505 61.300 0.017 0.000 0.918 304 I CB 1.138 39.163 38.000 0.042 0.000 1.612 304 I HN 0.372 nan 8.210 nan 0.000 0.592 305 P HA -0.279 nan 4.420 nan 0.000 0.216 305 P C 1.485 178.786 177.300 0.003 0.000 1.167 305 P CA 1.746 64.846 63.100 -0.001 0.000 0.933 305 P CB 0.161 31.863 31.700 0.002 0.000 0.793 306 Q N -1.372 118.436 119.800 0.013 0.000 2.096 306 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 306 Q C 2.219 178.224 176.000 0.008 0.000 0.982 306 Q CA 1.222 57.036 55.803 0.019 0.000 0.850 306 Q CB -1.368 27.390 28.738 0.033 0.000 0.901 306 Q HN 0.241 nan 8.270 nan 0.000 0.422 307 L N 1.390 122.612 121.223 -0.001 0.000 2.093 307 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 307 L C 1.940 178.789 176.870 -0.036 0.000 1.085 307 L CA 1.734 56.557 54.840 -0.029 0.000 0.755 307 L CB -0.396 41.652 42.059 -0.018 0.000 0.904 307 L HN 0.147 nan 8.230 nan 0.000 0.435 308 E N -0.575 119.611 120.200 -0.023 0.000 2.110 308 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 308 E C 1.739 178.298 176.600 -0.067 0.000 0.988 308 E CA 1.204 57.582 56.400 -0.037 0.000 0.804 308 E CB -0.139 29.539 29.700 -0.036 0.000 0.745 308 E HN 0.548 nan 8.360 nan 0.000 0.458 309 N N 0.260 118.934 118.700 -0.043 0.000 2.270 309 N HA -0.088 4.652 4.740 -0.001 0.000 0.181 309 N C 1.855 177.343 175.510 -0.036 0.000 1.016 309 N CA 0.555 53.587 53.050 -0.029 0.000 0.870 309 N CB -0.146 38.366 38.487 0.043 0.000 0.979 309 N HN -0.006 nan 8.380 nan 0.000 0.431 310 V N 1.339 121.246 119.914 -0.011 0.000 2.358 310 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 310 V C 2.295 178.419 176.094 0.050 0.000 1.047 310 V CA 0.934 63.271 62.300 0.061 0.000 1.035 310 V CB -0.432 31.461 31.823 0.116 0.000 0.658 310 V HN 0.190 nan 8.190 nan 0.000 0.452 311 L N 0.229 121.438 121.223 -0.023 0.000 2.046 311 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 311 L C 2.355 179.211 176.870 -0.023 0.000 1.077 311 L CA 1.981 56.807 54.840 -0.023 0.000 0.747 311 L CB -0.761 41.282 42.059 -0.025 0.000 0.896 311 L HN 0.198 nan 8.230 nan 0.000 0.432 312 K N -0.617 119.713 120.400 -0.116 0.000 2.063 312 K HA -0.237 4.082 4.320 -0.001 0.000 0.208 312 K C 2.097 178.637 176.600 -0.101 0.000 1.048 312 K CA 1.652 57.815 56.287 -0.207 0.000 0.928 312 K CB -0.148 31.771 32.500 -0.968 0.000 0.713 312 K HN 0.280 nan 8.250 nan 0.000 0.442 313 E N 0.358 120.535 120.200 -0.038 0.000 2.150 313 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 313 E C 1.656 178.321 176.600 0.109 0.000 0.985 313 E CA 1.500 57.970 56.400 0.117 0.000 0.814 313 E CB -0.064 29.512 29.700 -0.207 0.000 0.752 313 E HN 0.146 nan 8.360 nan 0.000 0.466 314 T N 0.541 115.200 114.554 0.175 0.000 2.777 314 T HA -0.079 4.271 4.350 -0.001 0.000 0.266 314 T C 1.761 176.493 174.700 0.053 0.000 1.040 314 T CA 1.156 63.401 62.100 0.243 0.000 1.141 314 T CB -0.187 68.820 68.868 0.232 0.000 0.868 314 T HN 0.129 nan 8.240 nan 0.000 0.444 315 L N 0.349 121.532 121.223 -0.066 0.000 2.141 315 L HA 0.016 4.356 4.340 -0.001 0.000 0.209 315 L C 2.834 179.484 176.870 -0.367 0.000 1.094 315 L CA 1.057 55.744 54.840 -0.255 0.000 0.763 315 L CB -0.393 41.429 42.059 -0.395 0.000 0.908 315 L HN 0.135 nan 8.230 nan 0.000 0.437 316 R N 0.454 120.782 120.500 -0.287 0.000 2.075 316 R HA -0.141 4.198 4.340 -0.001 0.000 0.232 316 R C 2.238 178.325 176.300 -0.355 0.000 1.126 316 R CA 1.381 57.258 56.100 -0.373 0.000 0.963 316 R CB -0.103 30.139 30.300 -0.097 0.000 0.858 316 R HN 0.306 nan 8.270 nan 0.000 0.435 317 L N -0.718 120.304 121.223 -0.335 0.000 2.179 317 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 317 L C 0.704 177.100 176.870 -0.789 0.000 1.096 317 L CA 0.664 55.176 54.840 -0.547 0.000 0.779 317 L CB 0.023 41.700 42.059 -0.637 0.000 0.922 317 L HN 0.271 nan 8.230 nan 0.000 0.443 318 H N -0.355 118.525 119.070 -0.316 0.000 2.471 318 H HA 0.270 4.826 4.556 -0.001 0.000 0.234 318 H C -2.333 172.806 175.328 -0.316 0.000 1.388 318 H CA -2.042 53.739 56.048 -0.444 0.000 1.198 318 H CB -0.208 29.055 29.762 -0.833 0.000 1.714 318 H HN 0.062 nan 8.280 nan 0.000 0.536 319 P HA 0.065 nan 4.420 nan 0.000 0.266 319 P C -2.115 175.121 177.300 -0.107 0.000 1.215 319 P CA -1.054 61.916 63.100 -0.216 0.000 0.763 319 P CB 1.474 33.027 31.700 -0.245 0.000 0.806 320 P HA -0.061 nan 4.420 nan 0.000 0.218 320 P C 0.303 177.658 177.300 0.092 0.000 1.148 320 P CA 1.392 64.500 63.100 0.013 0.000 0.822 320 P CB 0.167 31.844 31.700 -0.039 0.000 0.784 321 L N 0.316 121.572 121.223 0.055 0.000 2.277 321 L HA 0.305 4.645 4.340 -0.001 0.000 0.284 321 L C 1.568 178.482 176.870 0.073 0.000 1.028 321 L CA -0.488 54.423 54.840 0.119 0.000 0.835 321 L CB 1.170 43.317 42.059 0.147 0.000 1.215 321 L HN -0.075 nan 8.230 nan 0.000 0.425 322 I N 1.073 121.695 120.570 0.085 0.000 3.226 322 I HA 0.255 4.425 4.170 -0.001 0.000 0.277 322 I C 0.580 176.748 176.117 0.085 0.000 1.243 322 I CA 0.783 62.112 61.300 0.048 0.000 1.459 322 I CB 0.569 38.581 38.000 0.021 0.000 1.093 322 I HN 0.441 nan 8.210 nan 0.000 0.453 323 I N 1.448 122.114 120.570 0.161 0.000 2.722 323 I HA 0.454 4.623 4.170 -0.001 0.000 0.295 323 I C -1.737 174.544 176.117 0.274 0.000 1.161 323 I CA -0.866 60.557 61.300 0.205 0.000 1.032 323 I CB 2.492 40.676 38.000 0.306 0.000 1.244 323 I HN -0.015 nan 8.210 nan 0.000 0.421 324 L N 7.177 128.539 121.223 0.232 0.000 2.362 324 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 324 L C -0.699 176.368 176.870 0.329 0.000 0.998 324 L CA -0.655 54.402 54.840 0.361 0.000 0.820 324 L CB 1.884 44.156 42.059 0.354 0.000 1.270 324 L HN 0.482 nan 8.230 nan 0.000 0.415 325 M N 3.096 122.915 119.600 0.365 0.000 2.598 325 M HA 0.652 5.132 4.480 -0.001 0.000 0.317 325 M C -0.582 175.695 176.300 -0.039 0.000 1.179 325 M CA -0.678 54.680 55.300 0.096 0.000 0.936 325 M CB 2.287 34.835 32.600 -0.087 0.000 1.713 325 M HN 0.516 nan 8.290 nan 0.000 0.460 326 R N 0.520 120.996 120.500 -0.039 0.000 2.764 326 R HA 0.737 5.076 4.340 -0.001 0.000 0.270 326 R C -1.662 174.578 176.300 -0.100 0.000 1.014 326 R CA -0.808 55.212 56.100 -0.134 0.000 0.904 326 R CB 2.117 32.292 30.300 -0.209 0.000 1.236 326 R HN 0.516 nan 8.270 nan 0.000 0.466 327 V N 1.305 121.156 119.914 -0.104 0.000 2.409 327 V HA 0.468 4.588 4.120 -0.001 0.000 0.291 327 V C 0.241 176.321 176.094 -0.023 0.000 1.020 327 V CA -1.043 61.225 62.300 -0.052 0.000 0.848 327 V CB 1.544 33.337 31.823 -0.049 0.000 0.990 327 V HN 0.903 nan 8.190 nan 0.000 0.430 328 A N 4.960 127.798 122.820 0.030 0.000 2.511 328 A HA 0.398 4.718 4.320 -0.001 0.000 0.242 328 A C 0.939 178.604 177.584 0.135 0.000 1.069 328 A CA 0.016 52.121 52.037 0.113 0.000 0.763 328 A CB 0.199 19.317 19.000 0.197 0.000 1.001 328 A HN 0.755 nan 8.150 nan 0.000 0.498 329 K N 1.431 121.950 120.400 0.198 0.000 2.358 329 K HA 0.258 4.577 4.320 -0.001 0.000 0.200 329 K C 0.690 177.382 176.600 0.155 0.000 1.030 329 K CA 0.880 57.255 56.287 0.146 0.000 1.097 329 K CB 0.755 33.321 32.500 0.109 0.000 0.862 329 K HN 0.893 nan 8.250 nan 0.000 0.534 330 G N -0.021 108.920 108.800 0.236 0.000 2.619 330 G HA2 0.438 4.398 3.960 -0.001 0.000 0.305 330 G HA3 0.438 4.398 3.960 -0.001 0.000 0.305 330 G C -1.592 173.113 174.900 -0.324 0.000 1.330 330 G CA -0.428 44.616 45.100 -0.093 0.000 0.789 330 G HN -0.025 nan 8.290 nan 0.000 0.487 331 E N -0.693 119.133 120.200 -0.625 0.000 2.174 331 E HA 0.729 5.079 4.350 -0.001 0.000 0.282 331 E C -1.331 174.722 176.600 -0.913 0.000 0.992 331 E CA -0.651 55.417 56.400 -0.552 0.000 0.803 331 E CB 0.974 30.472 29.700 -0.337 0.000 1.090 331 E HN 0.490 nan 8.360 nan 0.000 0.396 332 F N -0.455 119.423 119.950 -0.120 0.000 2.629 332 F HA 0.759 5.285 4.527 -0.001 0.000 0.316 332 F C 0.604 176.263 175.800 -0.235 0.000 1.081 332 F CA -0.593 57.327 58.000 -0.133 0.000 0.954 332 F CB 2.476 41.443 39.000 -0.054 0.000 1.337 332 F HN 0.548 nan 8.300 nan 0.000 0.474 333 E N 0.002 120.153 120.200 -0.083 0.000 2.246 333 E HA 0.722 5.072 4.350 -0.001 0.000 0.266 333 E C -2.023 174.439 176.600 -0.229 0.000 0.880 333 E CA -0.772 55.545 56.400 -0.139 0.000 0.762 333 E CB 1.834 31.475 29.700 -0.097 0.000 1.180 333 E HN 0.478 nan 8.360 nan 0.000 0.416 334 V N 3.619 123.413 119.914 -0.200 0.000 2.380 334 V HA 0.342 4.462 4.120 -0.001 0.000 0.286 334 V C 0.360 176.456 176.094 0.004 0.000 1.015 334 V CA -0.384 61.806 62.300 -0.182 0.000 0.834 334 V CB 0.670 32.318 31.823 -0.292 0.000 1.009 334 V HN 1.024 nan 8.190 nan 0.000 0.428 335 Q N 3.373 123.200 119.800 0.045 0.000 2.475 335 Q HA -0.270 4.070 4.340 -0.001 0.000 0.280 335 Q C 1.303 177.192 176.000 -0.186 0.000 1.234 335 Q CA 0.955 56.761 55.803 0.004 0.000 0.873 335 Q CB -1.319 27.481 28.738 0.102 0.000 1.256 335 Q HN 1.596 nan 8.270 nan 0.000 0.475 336 G N -1.066 107.630 108.800 -0.174 0.000 2.225 336 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.254 336 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.254 336 G C -0.118 174.615 174.900 -0.280 0.000 0.988 336 G CA 0.324 45.276 45.100 -0.246 0.000 0.625 336 G HN 0.540 nan 8.290 nan 0.000 0.527 337 H N 0.769 119.815 119.070 -0.040 0.000 2.620 337 H HA 0.476 5.032 4.556 -0.001 0.000 0.313 337 H C 0.477 175.762 175.328 -0.073 0.000 1.075 337 H CA -0.277 55.747 56.048 -0.039 0.000 1.397 337 H CB 1.048 30.792 29.762 -0.031 0.000 1.446 337 H HN 0.067 nan 8.280 nan 0.000 0.493 338 R N 3.258 123.788 120.500 0.049 0.000 2.297 338 R HA 0.343 4.683 4.340 -0.001 0.000 0.308 338 R C -0.312 175.904 176.300 -0.139 0.000 1.029 338 R CA -0.578 55.464 56.100 -0.096 0.000 0.929 338 R CB 0.202 30.426 30.300 -0.127 0.000 1.046 338 R HN 0.614 nan 8.270 nan 0.000 0.461 339 I N 4.301 124.755 120.570 -0.194 0.000 2.404 339 I HA 0.258 4.428 4.170 -0.001 0.000 0.293 339 I C -0.226 175.765 176.117 -0.211 0.000 0.992 339 I CA -0.758 60.504 61.300 -0.064 0.000 1.149 339 I CB 1.472 39.542 38.000 0.117 0.000 1.315 339 I HN 0.550 nan 8.210 nan 0.000 0.446 340 H N 3.173 122.290 119.070 0.078 0.000 2.651 340 H HA 0.288 4.843 4.556 -0.001 0.000 0.353 340 H C -0.194 175.174 175.328 0.068 0.000 1.178 340 H CA -0.808 55.268 56.048 0.046 0.000 1.224 340 H CB 0.992 30.763 29.762 0.015 0.000 1.702 340 H HN 0.408 nan 8.280 nan 0.000 0.550 341 E N 1.024 121.325 120.200 0.167 0.000 2.465 341 E HA 0.031 4.380 4.350 -0.001 0.000 0.260 341 E C 0.805 177.463 176.600 0.095 0.000 0.980 341 E CA 1.249 57.719 56.400 0.116 0.000 0.927 341 E CB 0.283 30.025 29.700 0.070 0.000 0.934 341 E HN 0.968 nan 8.360 nan 0.000 0.459 342 G N 4.692 113.537 108.800 0.075 0.000 2.213 342 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.236 342 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.236 342 G C -0.014 174.908 174.900 0.038 0.000 0.991 342 G CA 0.184 45.311 45.100 0.045 0.000 0.629 342 G HN 0.608 nan 8.290 nan 0.000 0.517 343 D N 0.778 121.215 120.400 0.062 0.000 2.382 343 D HA 0.397 5.036 4.640 -0.001 0.000 0.245 343 D C 0.890 177.194 176.300 0.007 0.000 1.120 343 D CA 0.014 54.037 54.000 0.038 0.000 0.890 343 D CB 1.121 41.967 40.800 0.076 0.000 1.201 343 D HN 0.253 nan 8.370 nan 0.000 0.433 344 L N 2.023 123.221 121.223 -0.042 0.000 2.319 344 L HA 0.227 4.566 4.340 -0.001 0.000 0.280 344 L C -0.214 176.614 176.870 -0.070 0.000 1.099 344 L CA -0.497 54.300 54.840 -0.071 0.000 0.828 344 L CB 1.079 43.059 42.059 -0.132 0.000 1.150 344 L HN -0.008 nan 8.230 nan 0.000 0.442 345 V N 2.958 122.865 119.914 -0.011 0.000 2.540 345 V HA 0.804 4.923 4.120 -0.001 0.000 0.302 345 V C -0.026 176.141 176.094 0.121 0.000 1.035 345 V CA -0.545 61.789 62.300 0.057 0.000 0.873 345 V CB 1.627 33.536 31.823 0.142 0.000 0.992 345 V HN 0.874 nan 8.190 nan 0.000 0.428 346 A N 3.248 126.065 122.820 -0.006 0.000 2.469 346 A HA 1.043 5.363 4.320 -0.001 0.000 0.299 346 A C -0.517 176.773 177.584 -0.491 0.000 1.098 346 A CA -0.267 51.689 52.037 -0.136 0.000 0.737 346 A CB 2.022 20.991 19.000 -0.052 0.000 1.312 346 A HN 1.486 nan 8.150 nan 0.000 0.414 347 A N -0.064 122.288 122.820 -0.779 0.000 2.423 347 A HA 0.869 5.188 4.320 -0.001 0.000 0.304 347 A C -0.336 177.096 177.584 -0.253 0.000 1.104 347 A CA -0.154 51.434 52.037 -0.748 0.000 0.757 347 A CB 1.561 19.697 19.000 -1.441 0.000 1.313 347 A HN 1.851 nan 8.150 nan 0.000 0.423 348 S N 1.255 116.899 115.700 -0.094 0.000 2.774 348 S HA 0.566 5.036 4.470 -0.001 0.000 0.297 348 S C -2.373 172.240 174.600 0.022 0.000 1.143 348 S CA -1.252 56.949 58.200 0.001 0.000 1.090 348 S CB 1.337 64.547 63.200 0.016 0.000 1.019 348 S HN 0.312 nan 8.310 nan 0.000 0.482 349 P HA 0.002 nan 4.420 nan 0.000 0.217 349 P C 1.483 178.730 177.300 -0.088 0.000 1.150 349 P CA 1.232 64.309 63.100 -0.038 0.000 0.832 349 P CB 0.132 31.787 31.700 -0.074 0.000 0.787 350 A N -0.333 122.446 122.820 -0.069 0.000 1.883 350 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 350 A C 2.042 179.583 177.584 -0.071 0.000 1.186 350 A CA 1.755 53.737 52.037 -0.092 0.000 0.624 350 A CB -1.465 17.485 19.000 -0.084 0.000 0.822 350 A HN 0.043 nan 8.150 nan 0.000 0.444 351 I N -0.557 119.994 120.570 -0.031 0.000 2.339 351 I HA -0.068 4.101 4.170 -0.001 0.000 0.245 351 I C 2.563 178.699 176.117 0.032 0.000 1.096 351 I CA 1.445 62.745 61.300 -0.000 0.000 1.408 351 I CB -1.635 36.372 38.000 0.011 0.000 1.092 351 I HN 0.196 nan 8.210 nan 0.000 0.423 352 S N 1.602 117.333 115.700 0.052 0.000 2.382 352 S HA -0.144 4.325 4.470 -0.001 0.000 0.228 352 S C 1.616 176.314 174.600 0.164 0.000 1.027 352 S CA 1.150 59.427 58.200 0.129 0.000 0.991 352 S CB -0.340 62.957 63.200 0.161 0.000 0.823 352 S HN 0.436 nan 8.310 nan 0.000 0.469 353 N N 1.101 119.785 118.700 -0.028 0.000 2.519 353 N HA -0.006 4.734 4.740 -0.001 0.000 0.186 353 N C 0.889 176.201 175.510 -0.329 0.000 1.062 353 N CA 0.638 53.515 53.050 -0.289 0.000 0.910 353 N CB -0.030 38.211 38.487 -0.410 0.000 0.958 353 N HN 0.402 nan 8.380 nan 0.000 0.445 354 R N -0.196 120.275 120.500 -0.049 0.000 2.629 354 R HA 0.316 4.655 4.340 -0.001 0.000 0.386 354 R C -0.219 176.140 176.300 0.099 0.000 1.071 354 R CA -0.287 55.797 56.100 -0.028 0.000 1.104 354 R CB 0.647 30.886 30.300 -0.101 0.000 1.370 354 R HN 0.112 nan 8.270 nan 0.000 0.574 355 I N 3.154 123.883 120.570 0.266 0.000 2.664 355 I HA -0.007 4.163 4.170 -0.001 0.000 0.284 355 I C -1.353 174.844 176.117 0.133 0.000 1.154 355 I CA -1.511 59.892 61.300 0.172 0.000 1.402 355 I CB 0.962 39.062 38.000 0.166 0.000 1.395 355 I HN -0.181 nan 8.210 nan 0.000 0.545 356 P HA -0.222 nan 4.420 nan 0.000 0.216 356 P C 1.352 178.645 177.300 -0.012 0.000 1.150 356 P CA 1.080 64.187 63.100 0.011 0.000 0.843 356 P CB 0.280 31.982 31.700 0.004 0.000 0.787 357 E N -0.461 119.725 120.200 -0.023 0.000 2.150 357 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 357 E C 1.291 177.812 176.600 -0.132 0.000 0.985 357 E CA 1.430 57.797 56.400 -0.055 0.000 0.814 357 E CB -0.665 29.014 29.700 -0.034 0.000 0.752 357 E HN 0.176 nan 8.360 nan 0.000 0.466 358 D N -1.255 119.007 120.400 -0.230 0.000 2.277 358 D HA 0.008 4.647 4.640 -0.001 0.000 0.209 358 D C -0.341 175.470 176.300 -0.814 0.000 0.970 358 D CA 0.551 54.213 54.000 -0.562 0.000 0.874 358 D CB 0.176 40.494 40.800 -0.804 0.000 0.982 358 D HN 0.127 nan 8.370 nan 0.000 0.504 359 F N 0.813 120.751 119.950 -0.019 0.000 2.552 359 F HA 0.358 4.884 4.527 -0.001 0.000 0.369 359 F C -2.357 173.398 175.800 -0.075 0.000 1.112 359 F CA -2.764 55.207 58.000 -0.048 0.000 1.129 359 F CB 1.449 40.434 39.000 -0.025 0.000 1.360 359 F HN -0.381 nan 8.300 nan 0.000 0.473 360 P HA -0.032 nan 4.420 nan 0.000 0.261 360 P C -0.355 176.948 177.300 0.004 0.000 1.173 360 P CA 0.675 63.773 63.100 -0.003 0.000 0.760 360 P CB 0.338 32.021 31.700 -0.029 0.000 0.783 361 D N 3.060 123.457 120.400 -0.006 0.000 2.812 361 D HA -0.142 4.498 4.640 -0.001 0.000 0.237 361 D C -1.208 175.070 176.300 -0.038 0.000 1.162 361 D CA 0.247 54.242 54.000 -0.008 0.000 0.740 361 D CB -0.873 39.933 40.800 0.010 0.000 1.000 361 D HN 0.378 nan 8.370 nan 0.000 0.416 362 P HA -0.187 nan 4.420 nan 0.000 0.219 362 P C 0.981 178.125 177.300 -0.261 0.000 1.146 362 P CA 1.288 64.272 63.100 -0.193 0.000 0.808 362 P CB 0.145 31.683 31.700 -0.269 0.000 0.779 363 H N -1.046 118.034 119.070 0.018 0.000 2.539 363 H HA 0.197 4.753 4.556 -0.001 0.000 0.269 363 H C 0.272 175.626 175.328 0.042 0.000 0.980 363 H CA 0.054 56.108 56.048 0.010 0.000 1.152 363 H CB -0.006 29.766 29.762 0.017 0.000 1.407 363 H HN 0.257 nan 8.280 nan 0.000 0.564 364 D N 0.629 121.100 120.400 0.118 0.000 2.210 364 D HA 0.030 4.670 4.640 -0.001 0.000 0.249 364 D C -0.325 176.039 176.300 0.107 0.000 1.062 364 D CA -0.520 53.558 54.000 0.131 0.000 0.891 364 D CB 1.564 42.420 40.800 0.093 0.000 1.186 364 D HN 0.019 nan 8.370 nan 0.000 0.432 365 F N 2.389 122.322 119.950 -0.027 0.000 2.439 365 F HA 0.212 4.739 4.527 -0.001 0.000 0.356 365 F C -0.476 175.231 175.800 -0.155 0.000 1.161 365 F CA -0.328 57.585 58.000 -0.144 0.000 1.151 365 F CB 0.243 39.001 39.000 -0.404 0.000 1.222 365 F HN -0.050 nan 8.300 nan 0.000 0.558 366 V N 9.387 129.034 119.914 -0.446 0.000 2.380 366 V HA 0.188 4.308 4.120 -0.001 0.000 0.268 366 V C -1.868 173.975 176.094 -0.418 0.000 1.008 366 V CA -1.123 60.966 62.300 -0.352 0.000 0.823 366 V CB 1.066 32.771 31.823 -0.197 0.000 1.053 366 V HN 0.549 nan 8.190 nan 0.000 0.446 367 P HA -0.138 nan 4.420 nan 0.000 0.219 367 P C 1.646 178.876 177.300 -0.117 0.000 1.146 367 P CA 1.483 64.442 63.100 -0.234 0.000 0.808 367 P CB 0.357 31.931 31.700 -0.210 0.000 0.779 368 A N 0.816 123.542 122.820 -0.156 0.000 2.125 368 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 368 A C 2.129 179.591 177.584 -0.203 0.000 1.156 368 A CA 1.193 53.154 52.037 -0.126 0.000 0.671 368 A CB -1.141 17.802 19.000 -0.095 0.000 0.794 368 A HN 0.282 nan 8.150 nan 0.000 0.459 369 R N -2.037 118.242 120.500 -0.368 0.000 2.328 369 R HA -0.069 4.270 4.340 -0.001 0.000 0.207 369 R C 0.543 176.452 176.300 -0.652 0.000 1.056 369 R CA 1.361 57.157 56.100 -0.507 0.000 1.016 369 R CB -0.467 29.473 30.300 -0.600 0.000 0.872 369 R HN 0.513 nan 8.270 nan 0.000 0.471 370 Y N 0.893 121.106 120.300 -0.146 0.000 2.467 370 Y HA 0.329 4.879 4.550 -0.001 0.000 0.250 370 Y C 0.166 175.982 175.900 -0.140 0.000 1.155 370 Y CA -0.824 57.168 58.100 -0.179 0.000 1.249 370 Y CB 0.286 38.621 38.460 -0.209 0.000 1.146 370 Y HN 0.077 nan 8.280 nan 0.000 0.524 371 E N 0.243 120.427 120.200 -0.026 0.000 2.409 371 E HA 0.100 4.449 4.350 -0.001 0.000 0.257 371 E C 1.613 178.187 176.600 -0.043 0.000 1.150 371 E CA 0.547 56.931 56.400 -0.028 0.000 0.942 371 E CB 0.589 30.267 29.700 -0.036 0.000 0.979 371 E HN 0.406 nan 8.360 nan 0.000 0.447 372 Q N 1.947 121.725 119.800 -0.036 0.000 2.142 372 Q HA -0.225 4.115 4.340 -0.001 0.000 0.213 372 Q C -0.577 175.395 176.000 -0.047 0.000 1.004 372 Q CA 2.621 58.400 55.803 -0.040 0.000 0.883 372 Q CB -2.372 26.347 28.738 -0.032 0.000 0.939 372 Q HN 0.485 nan 8.270 nan 0.000 0.413 373 P HA -0.131 nan 4.420 nan 0.000 0.215 373 P C 1.190 178.451 177.300 -0.065 0.000 1.153 373 P CA 1.535 64.604 63.100 -0.051 0.000 0.853 373 P CB -0.082 31.590 31.700 -0.047 0.000 0.788 374 R N -1.520 118.930 120.500 -0.084 0.000 2.123 374 R HA 0.160 4.499 4.340 -0.001 0.000 0.209 374 R C 0.612 176.842 176.300 -0.116 0.000 1.078 374 R CA 0.057 56.093 56.100 -0.107 0.000 1.028 374 R CB -0.379 29.837 30.300 -0.140 0.000 0.939 374 R HN 0.085 nan 8.270 nan 0.000 0.463 375 Q N 0.914 120.646 119.800 -0.114 0.000 2.406 375 Q HA -0.253 4.086 4.340 -0.001 0.000 0.339 375 Q C -0.012 175.914 176.000 -0.123 0.000 1.337 375 Q CA 0.488 56.231 55.803 -0.100 0.000 0.985 375 Q CB -0.945 27.742 28.738 -0.086 0.000 1.216 375 Q HN 0.473 nan 8.270 nan 0.000 0.415 376 E N 0.451 120.549 120.200 -0.169 0.000 2.265 376 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 376 E C 1.515 178.091 176.600 -0.040 0.000 0.996 376 E CA 1.178 57.514 56.400 -0.106 0.000 0.832 376 E CB 0.097 29.744 29.700 -0.087 0.000 0.756 376 E HN 0.625 nan 8.360 nan 0.000 0.491 377 D N 0.799 121.054 120.400 -0.241 0.000 2.123 377 D HA -0.169 4.470 4.640 -0.001 0.000 0.200 377 D C 1.987 178.119 176.300 -0.280 0.000 0.976 377 D CA 0.843 54.404 54.000 -0.732 0.000 0.831 377 D CB -0.524 39.296 40.800 -1.634 0.000 0.974 377 D HN 0.247 nan 8.370 nan 0.000 0.469 378 L N -0.414 120.679 121.223 -0.217 0.000 2.179 378 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 378 L C 2.578 179.384 176.870 -0.107 0.000 1.096 378 L CA 0.301 55.056 54.840 -0.143 0.000 0.779 378 L CB -0.367 41.615 42.059 -0.129 0.000 0.922 378 L HN 0.035 nan 8.230 nan 0.000 0.443 379 L N -0.095 121.072 121.223 -0.093 0.000 2.141 379 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 379 L C 1.061 177.889 176.870 -0.070 0.000 1.094 379 L CA 1.624 56.416 54.840 -0.081 0.000 0.763 379 L CB -0.353 41.652 42.059 -0.089 0.000 0.908 379 L HN 0.228 nan 8.230 nan 0.000 0.437 380 N N 0.771 119.450 118.700 -0.035 0.000 3.301 380 N HA 0.090 4.830 4.740 -0.001 0.000 0.289 380 N C 0.864 176.406 175.510 0.054 0.000 1.343 380 N CA -0.028 53.031 53.050 0.015 0.000 1.136 380 N CB 0.370 38.862 38.487 0.007 0.000 1.402 380 N HN 0.490 nan 8.380 nan 0.000 0.516 381 R N -0.518 119.891 120.500 -0.151 0.000 2.139 381 R HA -0.129 4.211 4.340 -0.001 0.000 0.243 381 R C 0.520 176.517 176.300 -0.505 0.000 1.145 381 R CA 1.280 57.119 56.100 -0.434 0.000 0.976 381 R CB -0.282 29.546 30.300 -0.786 0.000 0.866 381 R HN 0.380 nan 8.270 nan 0.000 0.449 382 W N 0.978 122.365 121.300 0.146 0.000 3.220 382 W HA 0.168 4.827 4.660 -0.001 0.000 0.328 382 W C 1.300 177.946 176.519 0.213 0.000 1.205 382 W CA 0.378 57.826 57.345 0.171 0.000 1.773 382 W CB 0.684 30.265 29.460 0.201 0.000 1.086 382 W HN 0.207 nan 8.180 nan 0.000 0.622 383 T N -5.587 109.197 114.554 0.383 0.000 2.958 383 T HA 0.025 4.374 4.350 -0.001 0.000 0.256 383 T C 0.037 175.027 174.700 0.483 0.000 0.983 383 T CA -0.299 62.049 62.100 0.412 0.000 0.924 383 T CB -0.350 68.748 68.868 0.384 0.000 1.136 383 T HN 0.016 nan 8.240 nan 0.000 0.506 384 W N 4.189 125.691 121.300 0.337 0.000 2.226 384 W HA 0.543 5.202 4.660 -0.001 0.000 0.379 384 W C 0.122 176.669 176.519 0.046 0.000 0.923 384 W CA -1.851 55.620 57.345 0.211 0.000 1.524 384 W CB 0.095 29.712 29.460 0.261 0.000 1.552 384 W HN 0.372 nan 8.180 nan 0.000 0.337 385 I N 4.569 125.005 120.570 -0.224 0.000 3.424 385 I HA 0.338 4.508 4.170 -0.001 0.000 0.339 385 I C -1.466 174.442 176.117 -0.347 0.000 1.549 385 I CA -1.621 59.539 61.300 -0.234 0.000 1.049 385 I CB 0.508 38.455 38.000 -0.088 0.000 1.439 385 I HN 0.003 nan 8.210 nan 0.000 0.500 386 P HA -0.074 nan 4.420 nan 0.000 0.223 386 P C 0.719 177.696 177.300 -0.538 0.000 1.151 386 P CA 1.277 63.969 63.100 -0.681 0.000 0.787 386 P CB 0.019 31.099 31.700 -1.032 0.000 0.788 387 F N -0.286 119.524 119.950 -0.232 0.000 2.668 387 F HA 0.442 4.968 4.527 -0.001 0.000 0.301 387 F C 1.702 177.477 175.800 -0.041 0.000 1.106 387 F CA 0.269 58.222 58.000 -0.079 0.000 1.289 387 F CB -0.116 38.865 39.000 -0.031 0.000 1.006 387 F HN 0.031 nan 8.300 nan 0.000 0.535 388 G N 1.117 109.945 108.800 0.048 0.000 2.645 388 G HA2 0.233 4.192 3.960 -0.001 0.000 0.239 388 G HA3 0.233 4.192 3.960 -0.001 0.000 0.239 388 G C -0.511 174.178 174.900 -0.350 0.000 1.331 388 G CA -0.303 44.747 45.100 -0.082 0.000 0.890 388 G HN 1.018 nan 8.290 nan 0.000 0.572 389 A N -2.484 120.043 122.820 -0.488 0.000 2.540 389 A HA 1.102 5.421 4.320 -0.001 0.000 0.291 389 A C 1.292 178.948 177.584 0.120 0.000 1.083 389 A CA 1.288 53.154 52.037 -0.284 0.000 0.650 389 A CB 0.551 19.278 19.000 -0.456 0.000 1.292 389 A HN 3.213 nan 8.150 nan 0.000 0.435 390 G N -0.754 108.178 108.800 0.219 0.000 2.566 390 G HA2 0.103 4.062 3.960 -0.001 0.000 0.280 390 G HA3 0.103 4.062 3.960 -0.001 0.000 0.280 390 G C 1.170 176.162 174.900 0.154 0.000 1.225 390 G CA 2.712 48.015 45.100 0.339 0.000 0.966 390 G HN 2.400 nan 8.290 nan 0.000 0.560 391 R N -1.094 119.443 120.500 0.062 0.000 2.152 391 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 391 R C 2.145 178.302 176.300 -0.238 0.000 1.117 391 R CA 2.588 58.595 56.100 -0.155 0.000 0.981 391 R CB -1.018 29.082 30.300 -0.333 0.000 0.870 391 R HN 0.885 nan 8.270 nan 0.000 0.451 392 H N -0.632 118.536 119.070 0.163 0.000 2.505 392 H HA 0.213 4.768 4.556 -0.001 0.000 0.286 392 H C 0.060 175.493 175.328 0.175 0.000 1.072 392 H CA -0.574 55.574 56.048 0.166 0.000 1.141 392 H CB -0.086 29.796 29.762 0.200 0.000 1.550 392 H HN 0.388 nan 8.280 nan 0.000 0.547 393 R N 0.970 121.588 120.500 0.197 0.000 2.583 393 R HA -0.049 4.290 4.340 -0.001 0.000 0.274 393 R C -0.011 176.366 176.300 0.128 0.000 0.998 393 R CA 0.017 56.197 56.100 0.134 0.000 1.081 393 R CB 0.265 30.600 30.300 0.058 0.000 0.940 393 R HN 0.259 nan 8.270 nan 0.000 0.413 394 C N 6.160 125.544 119.300 0.139 0.000 2.519 394 C HA 0.004 4.463 4.460 -0.001 0.000 0.402 394 C C 2.092 177.090 174.990 0.014 0.000 1.475 394 C CA -0.105 58.982 59.018 0.115 0.000 1.504 394 C CB -1.129 26.723 27.740 0.187 0.000 2.454 394 C HN 0.747 nan 8.230 nan 0.000 0.615 395 V N 4.404 124.343 119.914 0.042 0.000 3.461 395 V HA 0.242 4.362 4.120 -0.001 0.000 0.267 395 V C 1.660 177.753 176.094 -0.002 0.000 1.186 395 V CA 1.755 64.061 62.300 0.011 0.000 1.154 395 V CB -0.703 31.136 31.823 0.026 0.000 0.802 395 V HN 0.968 nan 8.190 nan 0.000 0.474 396 G N -0.840 107.969 108.800 0.014 0.000 3.126 396 G HA2 0.383 4.343 3.960 -0.001 0.000 0.224 396 G HA3 0.383 4.343 3.960 -0.001 0.000 0.224 396 G C 1.391 176.305 174.900 0.022 0.000 1.142 396 G CA 0.568 45.698 45.100 0.049 0.000 0.759 396 G HN 0.672 nan 8.290 nan 0.000 0.550 397 A N 1.382 124.079 122.820 -0.203 0.000 1.908 397 A HA 0.194 4.513 4.320 -0.001 0.000 0.218 397 A C 2.758 180.158 177.584 -0.307 0.000 1.181 397 A CA 2.202 53.872 52.037 -0.612 0.000 0.627 397 A CB -0.669 17.619 19.000 -1.187 0.000 0.818 397 A HN 0.696 nan 8.150 nan 0.000 0.445 398 A N -1.228 121.500 122.820 -0.154 0.000 1.902 398 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 398 A C 2.074 179.672 177.584 0.025 0.000 1.181 398 A CA 1.689 53.689 52.037 -0.061 0.000 0.623 398 A CB -0.726 18.261 19.000 -0.021 0.000 0.818 398 A HN 0.726 nan 8.150 nan 0.000 0.443 399 F N 0.917 120.835 119.950 -0.053 0.000 2.113 399 F HA -0.022 4.505 4.527 -0.001 0.000 0.297 399 F C 2.497 178.295 175.800 -0.003 0.000 1.103 399 F CA 1.224 59.215 58.000 -0.015 0.000 1.248 399 F CB -0.435 38.554 39.000 -0.019 0.000 0.999 399 F HN 0.241 nan 8.300 nan 0.000 0.475 400 A N 0.699 123.559 122.820 0.067 0.000 1.902 400 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 400 A C 2.294 179.864 177.584 -0.022 0.000 1.181 400 A CA 1.958 54.008 52.037 0.022 0.000 0.623 400 A CB -1.202 17.925 19.000 0.213 0.000 0.818 400 A HN 0.511 nan 8.150 nan 0.000 0.443 401 I N -0.775 119.793 120.570 -0.003 0.000 2.252 401 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 401 I C 2.723 178.817 176.117 -0.038 0.000 1.102 401 I CA 1.476 62.782 61.300 0.011 0.000 1.385 401 I CB -0.298 37.702 38.000 0.001 0.000 1.064 401 I HN 0.405 nan 8.210 nan 0.000 0.414 402 M N 0.793 120.338 119.600 -0.092 0.000 2.159 402 M HA -0.271 4.209 4.480 -0.001 0.000 0.263 402 M C 2.275 178.490 176.300 -0.142 0.000 1.063 402 M CA 1.935 57.174 55.300 -0.102 0.000 1.110 402 M CB -0.733 31.800 32.600 -0.111 0.000 1.374 402 M HN 0.303 nan 8.290 nan 0.000 0.411 403 Q N -0.010 119.621 119.800 -0.281 0.000 2.084 403 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 403 Q C 1.963 177.915 176.000 -0.079 0.000 0.978 403 Q CA 1.616 57.255 55.803 -0.272 0.000 0.844 403 Q CB -0.041 28.436 28.738 -0.434 0.000 0.898 403 Q HN 0.500 nan 8.270 nan 0.000 0.426 404 I N 1.073 121.639 120.570 -0.007 0.000 2.226 404 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 404 I C 2.095 178.344 176.117 0.220 0.000 1.100 404 I CA 1.563 62.953 61.300 0.150 0.000 1.374 404 I CB -0.823 37.247 38.000 0.117 0.000 1.057 404 I HN 0.277 nan 8.210 nan 0.000 0.413 405 K N 0.707 121.174 120.400 0.112 0.000 2.057 405 K HA -0.121 4.199 4.320 -0.001 0.000 0.207 405 K C 2.220 178.906 176.600 0.143 0.000 1.049 405 K CA 1.550 57.916 56.287 0.131 0.000 0.931 405 K CB -0.160 32.389 32.500 0.082 0.000 0.714 405 K HN 0.285 nan 8.250 nan 0.000 0.440 406 A N 1.482 124.350 122.820 0.079 0.000 1.873 406 A HA -0.125 4.194 4.320 -0.001 0.000 0.215 406 A C 2.131 179.733 177.584 0.029 0.000 1.186 406 A CA 1.174 53.249 52.037 0.064 0.000 0.616 406 A CB -0.556 18.453 19.000 0.015 0.000 0.823 406 A HN 0.148 nan 8.150 nan 0.000 0.442 407 I N -1.683 118.881 120.570 -0.011 0.000 2.127 407 I HA -0.271 3.898 4.170 -0.001 0.000 0.241 407 I C 2.202 178.191 176.117 -0.213 0.000 1.075 407 I CA 1.636 62.859 61.300 -0.129 0.000 1.334 407 I CB -0.418 37.450 38.000 -0.218 0.000 1.040 407 I HN 0.321 nan 8.210 nan 0.000 0.405 408 F N 0.272 120.241 119.950 0.031 0.000 2.407 408 F HA -0.101 4.425 4.527 -0.001 0.000 0.299 408 F C 2.688 178.498 175.800 0.018 0.000 1.097 408 F CA 0.744 58.757 58.000 0.020 0.000 1.422 408 F CB -0.498 38.489 39.000 -0.021 0.000 1.067 408 F HN -0.066 nan 8.300 nan 0.000 0.539 409 S N -0.240 115.543 115.700 0.138 0.000 2.382 409 S HA -0.121 4.348 4.470 -0.001 0.000 0.228 409 S C 2.198 176.743 174.600 -0.091 0.000 1.027 409 S CA 1.148 59.369 58.200 0.035 0.000 0.991 409 S CB -0.272 62.987 63.200 0.099 0.000 0.823 409 S HN 0.133 nan 8.310 nan 0.000 0.469 410 V N 1.686 121.569 119.914 -0.052 0.000 2.300 410 V HA -0.015 4.105 4.120 -0.001 0.000 0.241 410 V C 2.163 178.262 176.094 0.008 0.000 1.034 410 V CA 1.145 63.407 62.300 -0.063 0.000 1.021 410 V CB -0.706 31.077 31.823 -0.067 0.000 0.662 410 V HN 0.382 nan 8.190 nan 0.000 0.458 411 L N -0.200 121.037 121.223 0.023 0.000 2.013 411 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 411 L C 2.402 179.508 176.870 0.392 0.000 1.073 411 L CA 1.735 56.685 54.840 0.184 0.000 0.753 411 L CB -0.624 41.460 42.059 0.042 0.000 0.890 411 L HN 0.312 nan 8.230 nan 0.000 0.432 412 L N -0.923 120.479 121.223 0.299 0.000 2.291 412 L HA -0.111 4.229 4.340 -0.001 0.000 0.214 412 L C 2.589 179.584 176.870 0.209 0.000 1.120 412 L CA 0.764 55.795 54.840 0.318 0.000 0.799 412 L CB -0.430 41.750 42.059 0.201 0.000 0.925 412 L HN 0.251 nan 8.230 nan 0.000 0.446 413 R N -0.547 120.014 120.500 0.102 0.000 2.223 413 R HA -0.003 4.337 4.340 -0.001 0.000 0.198 413 R C 1.766 178.063 176.300 -0.005 0.000 0.984 413 R CA 0.370 56.483 56.100 0.021 0.000 1.018 413 R CB 0.238 30.483 30.300 -0.091 0.000 0.945 413 R HN 0.310 nan 8.270 nan 0.000 0.479 414 E N -0.362 119.849 120.200 0.018 0.000 2.166 414 E HA 0.056 4.406 4.350 -0.001 0.000 0.192 414 E C -0.060 176.350 176.600 -0.316 0.000 0.967 414 E CA 0.925 57.249 56.400 -0.126 0.000 0.840 414 E CB 0.287 29.967 29.700 -0.034 0.000 0.795 414 E HN 0.147 nan 8.360 nan 0.000 0.470 415 Y N 0.283 120.615 120.300 0.053 0.000 2.576 415 Y HA 0.341 4.891 4.550 -0.000 0.000 0.346 415 Y C 0.014 175.867 175.900 -0.078 0.000 1.018 415 Y CA -0.961 57.100 58.100 -0.064 0.000 1.050 415 Y CB 1.571 39.892 38.460 -0.232 0.000 1.280 415 Y HN -0.279 nan 8.280 nan 0.000 0.474 416 E N 1.570 121.771 120.200 0.002 0.000 2.191 416 E HA 0.462 4.812 4.350 -0.001 0.000 0.278 416 E C -1.662 174.848 176.600 -0.149 0.000 0.972 416 E CA -0.559 55.881 56.400 0.067 0.000 0.804 416 E CB 1.370 31.092 29.700 0.036 0.000 1.110 416 E HN 0.308 nan 8.360 nan 0.000 0.394 417 F N 1.322 121.451 119.950 0.299 0.000 2.508 417 F HA 0.408 4.935 4.527 -0.000 0.000 0.325 417 F C 0.360 176.215 175.800 0.092 0.000 1.090 417 F CA -0.667 57.464 58.000 0.218 0.000 0.945 417 F CB 1.744 40.918 39.000 0.291 0.000 1.156 417 F HN 0.294 nan 8.300 nan 0.000 0.463 418 E N 2.046 122.369 120.200 0.205 0.000 2.340 418 E HA 0.446 4.796 4.350 -0.001 0.000 0.273 418 E C -1.161 175.499 176.600 0.100 0.000 0.891 418 E CA -1.041 55.413 56.400 0.090 0.000 0.757 418 E CB 2.724 32.430 29.700 0.010 0.000 1.231 418 E HN 0.496 nan 8.360 nan 0.000 0.439 419 M N 1.341 120.993 119.600 0.088 0.000 2.217 419 M HA 0.226 4.705 4.480 -0.001 0.000 0.354 419 M C 0.528 176.891 176.300 0.106 0.000 1.225 419 M CA 0.214 55.606 55.300 0.153 0.000 1.137 419 M CB 0.830 33.553 32.600 0.206 0.000 1.576 419 M HN 0.708 nan 8.290 nan 0.000 0.461 420 A N 3.111 125.998 122.820 0.111 0.000 2.387 420 A HA 0.164 4.484 4.320 -0.001 0.000 0.234 420 A C 0.200 177.772 177.584 -0.021 0.000 1.253 420 A CA -0.007 52.040 52.037 0.017 0.000 0.894 420 A CB 0.093 19.084 19.000 -0.014 0.000 0.963 420 A HN 0.850 nan 8.150 nan 0.000 0.508 421 Q N -1.403 118.386 119.800 -0.019 0.000 2.590 421 Q HA 0.534 4.873 4.340 -0.001 0.000 0.295 421 Q C -3.206 172.748 176.000 -0.076 0.000 0.973 421 Q CA -2.343 53.390 55.803 -0.118 0.000 0.768 421 Q CB 0.587 29.155 28.738 -0.283 0.000 1.479 421 Q HN -0.055 nan 8.270 nan 0.000 0.419 422 P HA 0.053 nan 4.420 nan 0.000 0.262 422 P C -2.115 175.200 177.300 0.024 0.000 1.182 422 P CA -0.612 62.471 63.100 -0.028 0.000 0.761 422 P CB 0.218 31.892 31.700 -0.042 0.000 0.795 423 P HA -0.215 nan 4.420 nan 0.000 0.216 423 P C 0.995 178.438 177.300 0.239 0.000 1.154 423 P CA 1.556 64.789 63.100 0.221 0.000 0.865 423 P CB -0.037 31.716 31.700 0.088 0.000 0.789 424 E N -0.773 119.500 120.200 0.123 0.000 2.482 424 E HA -0.035 4.314 4.350 -0.001 0.000 0.196 424 E C 1.710 178.365 176.600 0.092 0.000 1.047 424 E CA 0.830 57.302 56.400 0.120 0.000 0.869 424 E CB -0.559 29.184 29.700 0.073 0.000 0.836 424 E HN 0.389 nan 8.360 nan 0.000 0.520 425 S N -0.668 115.032 115.700 0.000 0.000 2.562 425 S HA -0.018 4.451 4.470 -0.001 0.000 0.221 425 S C 0.633 175.146 174.600 -0.145 0.000 0.975 425 S CA -0.288 57.851 58.200 -0.102 0.000 0.918 425 S CB -0.404 62.673 63.200 -0.205 0.000 0.772 425 S HN 0.074 nan 8.310 nan 0.000 0.531 426 Y N 3.712 124.026 120.300 0.023 0.000 2.402 426 Y HA 0.497 5.047 4.550 -0.001 0.000 0.333 426 Y C 0.912 176.907 175.900 0.158 0.000 1.076 426 Y CA -0.454 57.628 58.100 -0.030 0.000 1.299 426 Y CB 0.613 38.964 38.460 -0.181 0.000 1.197 426 Y HN 0.361 nan 8.280 nan 0.000 0.517 427 R N 1.096 121.766 120.500 0.283 0.000 2.716 427 R HA 0.500 4.840 4.340 -0.001 0.000 0.271 427 R C -1.714 174.798 176.300 0.352 0.000 1.028 427 R CA -1.130 55.218 56.100 0.413 0.000 0.883 427 R CB 1.042 31.481 30.300 0.232 0.000 1.250 427 R HN 0.376 nan 8.270 nan 0.000 0.465 428 N N 0.473 119.360 118.700 0.313 0.000 2.508 428 N HA 0.153 4.893 4.740 -0.001 0.000 0.285 428 N C -1.389 174.016 175.510 -0.176 0.000 1.144 428 N CA -0.249 52.823 53.050 0.036 0.000 0.978 428 N CB 1.252 39.604 38.487 -0.224 0.000 1.180 428 N HN 0.554 nan 8.380 nan 0.000 0.484 429 D N 0.207 120.486 120.400 -0.200 0.000 2.329 429 D HA 0.144 4.783 4.640 -0.001 0.000 0.232 429 D C -0.418 175.723 176.300 -0.264 0.000 1.088 429 D CA -0.130 53.785 54.000 -0.140 0.000 0.835 429 D CB 0.221 40.992 40.800 -0.050 0.000 1.078 429 D HN 0.465 nan 8.370 nan 0.000 0.495 430 H N 0.923 119.972 119.070 -0.035 0.000 2.487 430 H HA 0.108 4.664 4.556 -0.001 0.000 0.290 430 H C 1.686 176.933 175.328 -0.135 0.000 1.081 430 H CA 0.126 56.117 56.048 -0.095 0.000 1.116 430 H CB 0.619 30.302 29.762 -0.132 0.000 1.560 430 H HN 0.309 nan 8.280 nan 0.000 0.548 431 S N -0.264 115.424 115.700 -0.021 0.000 2.489 431 S HA 0.018 4.487 4.470 -0.001 0.000 0.228 431 S C 0.846 175.410 174.600 -0.060 0.000 0.995 431 S CA 0.207 58.382 58.200 -0.043 0.000 0.934 431 S CB 0.291 63.472 63.200 -0.031 0.000 0.771 431 S HN 0.050 nan 8.310 nan 0.000 0.522 432 K N 0.287 120.641 120.400 -0.077 0.000 2.281 432 K HA 0.452 4.772 4.320 -0.001 0.000 0.242 432 K C 0.817 177.333 176.600 -0.141 0.000 0.971 432 K CA -0.959 55.268 56.287 -0.100 0.000 0.834 432 K CB 0.818 33.255 32.500 -0.106 0.000 1.181 432 K HN 0.011 nan 8.250 nan 0.000 0.435 433 M N 0.230 119.692 119.600 -0.230 0.000 2.149 433 M HA -0.046 4.433 4.480 -0.001 0.000 0.261 433 M C 0.725 176.890 176.300 -0.225 0.000 1.064 433 M CA 1.112 56.245 55.300 -0.279 0.000 1.102 433 M CB -0.426 31.699 32.600 -0.793 0.000 1.369 433 M HN 0.160 nan 8.290 nan 0.000 0.408 434 V N 2.112 121.870 119.914 -0.261 0.000 2.389 434 V HA 0.090 4.209 4.120 -0.001 0.000 0.264 434 V C 0.259 176.267 176.094 -0.144 0.000 1.049 434 V CA -0.584 61.549 62.300 -0.278 0.000 0.932 434 V CB 0.785 32.412 31.823 -0.326 0.000 1.011 434 V HN -0.064 nan 8.190 nan 0.000 0.475 435 V N 6.606 126.485 119.914 -0.058 0.000 2.637 435 V HA 0.250 4.369 4.120 -0.001 0.000 0.296 435 V C 0.236 176.340 176.094 0.017 0.000 1.046 435 V CA 0.015 62.296 62.300 -0.031 0.000 1.066 435 V CB 0.997 32.828 31.823 0.014 0.000 0.968 435 V HN 0.921 nan 8.190 nan 0.000 0.483 436 Q N 2.426 122.222 119.800 -0.007 0.000 2.421 436 Q HA 0.501 4.840 4.340 -0.001 0.000 0.280 436 Q C -1.224 174.813 176.000 0.061 0.000 1.085 436 Q CA -1.173 54.669 55.803 0.065 0.000 0.807 436 Q CB 2.790 31.585 28.738 0.096 0.000 1.405 436 Q HN 0.570 nan 8.270 nan 0.000 0.419 437 L N 1.574 122.853 121.223 0.093 0.000 2.456 437 L HA 0.363 4.702 4.340 -0.001 0.000 0.272 437 L C -0.551 176.346 176.870 0.045 0.000 1.189 437 L CA 0.631 55.511 54.840 0.066 0.000 0.846 437 L CB 0.654 42.697 42.059 -0.027 0.000 1.111 437 L HN 0.772 nan 8.230 nan 0.000 0.475 438 A N 4.931 127.774 122.820 0.038 0.000 2.271 438 A HA 0.588 4.908 4.320 -0.001 0.000 0.288 438 A C -0.432 177.155 177.584 0.005 0.000 1.094 438 A CA -0.448 51.603 52.037 0.023 0.000 0.828 438 A CB 0.451 19.464 19.000 0.022 0.000 1.091 438 A HN 0.785 nan 8.150 nan 0.000 0.493 439 Q N 0.747 120.546 119.800 -0.002 0.000 2.301 439 Q HA 0.503 4.842 4.340 -0.001 0.000 0.267 439 Q C -2.229 173.747 176.000 -0.041 0.000 1.035 439 Q CA -1.758 54.033 55.803 -0.021 0.000 0.856 439 Q CB 1.298 30.030 28.738 -0.010 0.000 1.337 439 Q HN 0.715 nan 8.270 nan 0.000 0.450 440 P HA 0.280 nan 4.420 nan 0.000 0.274 440 P C -1.392 175.839 177.300 -0.116 0.000 1.237 440 P CA -0.388 62.663 63.100 -0.083 0.000 0.793 440 P CB 0.886 32.526 31.700 -0.100 0.000 0.977 441 A N 0.675 123.464 122.820 -0.052 0.000 3.415 441 A HA 0.569 4.889 4.320 -0.001 0.000 0.244 441 A C 0.089 177.754 177.584 0.135 0.000 0.988 441 A CA -0.398 51.678 52.037 0.065 0.000 0.991 441 A CB -0.233 18.814 19.000 0.078 0.000 1.240 441 A HN 0.703 nan 8.150 nan 0.000 0.541 442 A N 0.396 123.254 122.820 0.062 0.000 2.331 442 A HA 0.711 5.031 4.320 -0.001 0.000 0.283 442 A C -0.238 177.422 177.584 0.127 0.000 1.142 442 A CA -0.137 51.931 52.037 0.051 0.000 0.812 442 A CB 0.581 19.566 19.000 -0.025 0.000 1.074 442 A HN 0.967 nan 8.150 nan 0.000 0.497 443 V N 3.300 123.254 119.914 0.067 0.000 2.841 443 V HA 0.501 4.621 4.120 -0.001 0.000 0.310 443 V C -0.101 175.995 176.094 0.004 0.000 1.090 443 V CA -0.778 61.575 62.300 0.088 0.000 0.930 443 V CB 2.079 33.979 31.823 0.129 0.000 1.014 443 V HN 1.014 nan 8.190 nan 0.000 0.425 444 R N 2.227 122.720 120.500 -0.013 0.000 2.604 444 R HA 0.708 5.047 4.340 -0.001 0.000 0.287 444 R C -1.495 174.709 176.300 -0.159 0.000 0.970 444 R CA -0.623 55.369 56.100 -0.181 0.000 0.946 444 R CB 2.154 32.337 30.300 -0.195 0.000 1.127 444 R HN 0.803 nan 8.270 nan 0.000 0.473 445 Y N -1.108 118.989 120.300 -0.338 0.000 2.570 445 Y HA 0.725 5.275 4.550 -0.001 0.000 0.345 445 Y C -0.786 174.977 175.900 -0.227 0.000 1.014 445 Y CA -1.497 56.325 58.100 -0.463 0.000 1.063 445 Y CB 1.628 39.577 38.460 -0.852 0.000 1.272 445 Y HN 0.523 nan 8.280 nan 0.000 0.477 446 R N 1.924 122.509 120.500 0.143 0.000 2.566 446 R HA 0.433 4.772 4.340 -0.001 0.000 0.271 446 R C -1.276 175.157 176.300 0.221 0.000 1.071 446 R CA -0.819 55.381 56.100 0.167 0.000 0.915 446 R CB 1.658 31.956 30.300 -0.002 0.000 1.228 446 R HN 0.992 nan 8.270 nan 0.000 0.449 447 R N 2.792 123.368 120.500 0.126 0.000 2.640 447 R HA 0.086 4.426 4.340 -0.001 0.000 0.270 447 R C 0.074 176.288 176.300 -0.142 0.000 1.024 447 R CA 0.358 56.312 56.100 -0.243 0.000 1.085 447 R CB 0.535 30.696 30.300 -0.232 0.000 0.963 447 R HN 0.437 nan 8.270 nan 0.000 0.426 448 R N 0.809 121.201 120.500 -0.180 0.000 2.577 448 R HA 0.443 4.783 4.340 -0.001 0.000 0.269 448 R C 0.339 176.595 176.300 -0.073 0.000 1.084 448 R CA 0.502 56.555 56.100 -0.079 0.000 1.163 448 R CB 1.063 31.337 30.300 -0.044 0.000 1.100 448 R HN 0.824 nan 8.270 nan 0.000 0.547 449 T N 0.000 114.530 114.554 -0.040 0.000 3.816 449 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 449 T CA 0.000 nan 62.100 nan 0.000 1.349 449 T CB 0.000 nan 68.868 nan 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658