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 1nfz_1_A DATA FIRST_RESID 4 DATA SEQUENCE EHVILLNAQG VPTGTLEKYA AHTADTRLHL AFSSWLFNAK GQLLVTRRAL DATA SEQUENCE SKKAWPGVWT NSVCGHPQLG ESNEDAVIRR CRYELGVEIT PPESIYPDFR DATA SEQUENCE YRATDPSGIV ENEVCPVFAA RTTSALQIND DEVMDYQWCD LADVLHGIDA DATA SEQUENCE TPWAFSPWMV MQATNREARK RLSAFT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.549 176.600 -0.085 0.000 1.382 4 E CA 0.000 56.317 56.400 -0.139 0.000 0.976 4 E CB 0.000 29.622 29.700 -0.130 0.000 0.812 5 H N 0.692 119.742 119.070 -0.035 0.000 2.931 5 H HA 0.807 5.348 4.556 -0.025 0.000 0.331 5 H C -0.626 174.651 175.328 -0.085 0.000 1.273 5 H CA -0.598 55.411 56.048 -0.064 0.000 1.171 5 H CB 1.342 31.075 29.762 -0.048 0.000 1.898 5 H HN 0.353 nan 8.280 nan 0.000 0.562 6 V N -0.874 119.085 119.914 0.074 0.000 2.919 6 V HA 0.568 4.684 4.120 -0.008 0.000 0.316 6 V C -0.241 175.918 176.094 0.109 0.000 1.077 6 V CA -1.110 61.198 62.300 0.014 0.000 0.977 6 V CB 1.647 33.244 31.823 -0.378 0.000 1.039 6 V HN 0.658 nan 8.190 nan 0.000 0.441 7 I N 3.740 124.410 120.570 0.166 0.000 2.312 7 I HA 0.370 4.535 4.170 -0.008 0.000 0.290 7 I C -0.134 176.044 176.117 0.101 0.000 1.008 7 I CA -0.372 60.996 61.300 0.114 0.000 1.226 7 I CB 1.331 39.415 38.000 0.140 0.000 1.371 7 I HN 0.503 nan 8.210 nan 0.000 0.468 8 L N 7.241 128.486 121.223 0.037 0.000 2.426 8 L HA 0.366 4.702 4.340 -0.008 0.000 0.271 8 L C -0.358 176.528 176.870 0.028 0.000 1.169 8 L CA -0.091 54.769 54.840 0.034 0.000 0.836 8 L CB 0.579 42.633 42.059 -0.008 0.000 1.112 8 L HN 0.441 nan 8.230 nan 0.000 0.465 9 L N 3.390 124.628 121.223 0.024 0.000 2.381 9 L HA 0.434 4.769 4.340 -0.008 0.000 0.268 9 L C 0.046 176.913 176.870 -0.004 0.000 0.997 9 L CA -0.642 54.203 54.840 0.009 0.000 0.818 9 L CB 1.883 43.945 42.059 0.006 0.000 1.310 9 L HN 0.719 nan 8.230 nan 0.000 0.416 10 N N 1.414 120.111 118.700 -0.005 0.000 2.431 10 N HA 0.309 5.044 4.740 -0.008 0.000 0.289 10 N C 0.920 176.423 175.510 -0.012 0.000 1.277 10 N CA -0.216 52.829 53.050 -0.009 0.000 0.972 10 N CB 1.073 39.556 38.487 -0.007 0.000 1.143 10 N HN 0.620 nan 8.380 nan 0.000 0.578 11 A N -0.399 122.414 122.820 -0.012 0.000 2.015 11 A HA -0.148 4.167 4.320 -0.008 0.000 0.219 11 A C 1.753 179.332 177.584 -0.009 0.000 1.163 11 A CA 1.251 53.280 52.037 -0.012 0.000 0.646 11 A CB -0.544 18.450 19.000 -0.010 0.000 0.806 11 A HN 0.696 nan 8.150 nan 0.000 0.448 12 Q N -1.102 118.695 119.800 -0.005 0.000 2.322 12 Q HA 0.350 4.685 4.340 -0.008 0.000 0.203 12 Q C 1.024 177.024 176.000 0.000 0.000 0.923 12 Q CA 0.644 56.446 55.803 -0.001 0.000 0.949 12 Q CB -0.061 28.678 28.738 0.001 0.000 1.039 12 Q HN 0.828 nan 8.270 nan 0.000 0.496 13 G N -0.448 108.350 108.800 -0.003 0.000 2.160 13 G HA2 -0.257 3.698 3.960 -0.008 0.000 0.251 13 G HA3 -0.257 3.698 3.960 -0.008 0.000 0.251 13 G C -0.084 174.821 174.900 0.008 0.000 1.008 13 G CA 0.231 45.331 45.100 -0.000 0.000 0.724 13 G HN 0.244 nan 8.290 nan 0.000 0.514 14 V N 1.056 120.974 119.914 0.007 0.000 2.465 14 V HA 0.405 4.520 4.120 -0.008 0.000 0.279 14 V C -1.481 174.618 176.094 0.009 0.000 1.045 14 V CA -1.703 60.602 62.300 0.009 0.000 0.938 14 V CB 1.569 33.395 31.823 0.005 0.000 0.986 14 V HN 0.094 nan 8.190 nan 0.000 0.467 15 P HA 0.091 nan 4.420 nan 0.000 0.264 15 P C 0.706 178.004 177.300 -0.003 0.000 1.193 15 P CA 0.313 63.419 63.100 0.010 0.000 0.763 15 P CB 0.529 32.237 31.700 0.014 0.000 0.810 16 T N -0.047 114.501 114.554 -0.009 0.000 2.975 16 T HA 0.515 4.860 4.350 -0.008 0.000 0.257 16 T C 0.652 175.334 174.700 -0.030 0.000 1.003 16 T CA 0.296 62.386 62.100 -0.017 0.000 0.932 16 T CB 0.024 68.883 68.868 -0.014 0.000 1.087 16 T HN 0.544 nan 8.240 nan 0.000 0.512 17 G N 0.779 109.555 108.800 -0.039 0.000 2.317 17 G HA2 0.458 4.414 3.960 -0.008 0.000 0.293 17 G HA3 0.458 4.414 3.960 -0.008 0.000 0.293 17 G C -1.225 173.622 174.900 -0.089 0.000 1.287 17 G CA -0.172 44.889 45.100 -0.065 0.000 0.850 17 G HN 0.785 nan 8.290 nan 0.000 0.515 18 T N -1.942 112.538 114.554 -0.125 0.000 2.906 18 T HA 0.819 5.164 4.350 -0.008 0.000 0.295 18 T C -0.777 173.859 174.700 -0.107 0.000 1.075 18 T CA -0.800 61.207 62.100 -0.155 0.000 1.005 18 T CB 1.987 70.636 68.868 -0.366 0.000 1.136 18 T HN 0.809 nan 8.240 nan 0.000 0.498 19 L N 0.773 121.944 121.223 -0.086 0.000 2.388 19 L HA 0.555 4.890 4.340 -0.008 0.000 0.264 19 L C 0.116 176.961 176.870 -0.041 0.000 0.998 19 L CA -1.208 53.584 54.840 -0.080 0.000 0.817 19 L CB 2.120 44.101 42.059 -0.129 0.000 1.338 19 L HN 0.755 nan 8.230 nan 0.000 0.414 20 E N 2.455 122.643 120.200 -0.020 0.000 2.452 20 E HA -0.078 4.267 4.350 -0.008 0.000 0.261 20 E C 0.465 177.051 176.600 -0.024 0.000 0.987 20 E CA 0.290 56.697 56.400 0.011 0.000 0.926 20 E CB 1.138 30.852 29.700 0.023 0.000 0.934 20 E HN 0.588 nan 8.360 nan 0.000 0.452 21 K N 4.065 124.453 120.400 -0.019 0.000 2.009 21 K HA -0.249 4.066 4.320 -0.008 0.000 0.210 21 K C 1.918 178.535 176.600 0.028 0.000 1.049 21 K CA 1.514 57.757 56.287 -0.073 0.000 0.929 21 K CB -0.305 32.151 32.500 -0.074 0.000 0.714 21 K HN 0.599 nan 8.250 nan 0.000 0.440 22 Y N 0.489 120.779 120.300 -0.016 0.000 2.181 22 Y HA -0.178 4.360 4.550 -0.019 0.000 0.288 22 Y C 1.989 177.896 175.900 0.012 0.000 1.146 22 Y CA 1.697 59.810 58.100 0.022 0.000 1.164 22 Y CB -0.206 38.258 38.460 0.007 0.000 0.982 22 Y HN 0.212 nan 8.280 nan 0.000 0.515 23 A N -0.328 122.580 122.820 0.147 0.000 2.121 23 A HA 0.002 4.317 4.320 -0.008 0.000 0.218 23 A C 2.213 179.756 177.584 -0.070 0.000 1.154 23 A CA 1.267 53.338 52.037 0.056 0.000 0.679 23 A CB -1.097 17.930 19.000 0.044 0.000 0.795 23 A HN 0.524 nan 8.150 nan 0.000 0.458 24 A N -1.003 121.716 122.820 -0.169 0.000 2.016 24 A HA 0.073 4.388 4.320 -0.008 0.000 0.217 24 A C 0.677 177.990 177.584 -0.452 0.000 1.162 24 A CA 0.474 52.292 52.037 -0.365 0.000 0.662 24 A CB -0.384 18.253 19.000 -0.606 0.000 0.812 24 A HN 0.604 nan 8.150 nan 0.000 0.450 25 H N 0.260 119.209 119.070 -0.203 0.000 2.641 25 H HA 0.469 5.020 4.556 -0.008 0.000 0.295 25 H C 0.476 175.719 175.328 -0.142 0.000 1.070 25 H CA 0.522 56.478 56.048 -0.152 0.000 1.257 25 H CB 0.877 30.537 29.762 -0.170 0.000 1.393 25 H HN 0.410 nan 8.280 nan 0.000 0.464 26 T N -1.208 113.338 114.554 -0.012 0.000 2.626 26 T HA 0.558 4.903 4.350 -0.008 0.000 0.279 26 T C 1.274 175.966 174.700 -0.013 0.000 0.983 26 T CA -0.401 61.683 62.100 -0.026 0.000 1.059 26 T CB 0.820 69.668 68.868 -0.033 0.000 1.396 26 T HN 0.333 nan 8.240 nan 0.000 0.519 27 A N -0.357 122.452 122.820 -0.018 0.000 2.209 27 A HA 0.198 4.513 4.320 -0.008 0.000 0.212 27 A C 0.870 178.453 177.584 -0.002 0.000 1.158 27 A CA 0.850 52.880 52.037 -0.013 0.000 0.742 27 A CB -0.620 18.370 19.000 -0.016 0.000 0.790 27 A HN 0.721 nan 8.150 nan 0.000 0.472 28 D N -0.077 120.319 120.400 -0.006 0.000 2.788 28 D HA 0.138 4.773 4.640 -0.008 0.000 0.289 28 D C -0.460 175.832 176.300 -0.012 0.000 1.340 28 D CA 0.072 54.068 54.000 -0.007 0.000 0.831 28 D CB 0.124 40.917 40.800 -0.012 0.000 1.103 28 D HN 0.052 nan 8.370 nan 0.000 0.476 29 T N 1.254 115.807 114.554 -0.002 0.000 2.866 29 T HA 0.061 4.406 4.350 -0.008 0.000 0.293 29 T C 0.932 175.633 174.700 0.002 0.000 1.005 29 T CA 0.350 62.445 62.100 -0.009 0.000 1.162 29 T CB 0.907 69.807 68.868 0.054 0.000 0.968 29 T HN -0.013 nan 8.240 nan 0.000 0.530 30 R N 1.482 121.978 120.500 -0.006 0.000 2.596 30 R HA 0.496 4.831 4.340 -0.008 0.000 0.267 30 R C -0.156 176.184 176.300 0.066 0.000 1.026 30 R CA -1.094 55.011 56.100 0.008 0.000 1.087 30 R CB 0.577 30.868 30.300 -0.015 0.000 1.132 30 R HN 0.416 nan 8.270 nan 0.000 0.531 31 L N 3.568 124.795 121.223 0.006 0.000 2.499 31 L HA 0.042 4.377 4.340 -0.008 0.000 0.273 31 L C -0.230 176.663 176.870 0.038 0.000 1.195 31 L CA 1.017 55.831 54.840 -0.043 0.000 0.882 31 L CB -0.051 41.966 42.059 -0.069 0.000 1.133 31 L HN 0.647 nan 8.230 nan 0.000 0.483 32 H N 3.151 122.184 119.070 -0.062 0.000 2.966 32 H HA 0.406 4.965 4.556 0.004 0.000 0.330 32 H C -1.505 173.833 175.328 0.017 0.000 1.292 32 H CA -1.321 54.715 56.048 -0.020 0.000 1.127 32 H CB 0.936 30.683 29.762 -0.024 0.000 1.863 32 H HN 0.530 nan 8.280 nan 0.000 0.543 33 L N 1.024 122.360 121.223 0.188 0.000 2.350 33 L HA 0.659 4.994 4.340 -0.008 0.000 0.275 33 L C -0.152 176.851 176.870 0.221 0.000 1.099 33 L CA 0.259 55.182 54.840 0.140 0.000 0.808 33 L CB 0.585 42.739 42.059 0.158 0.000 1.149 33 L HN 0.961 nan 8.230 nan 0.000 0.442 34 A N 3.585 126.471 122.820 0.110 0.000 2.533 34 A HA 0.852 5.167 4.320 -0.008 0.000 0.293 34 A C -1.405 176.279 177.584 0.167 0.000 1.228 34 A CA -0.415 51.651 52.037 0.048 0.000 0.689 34 A CB 1.098 19.990 19.000 -0.179 0.000 1.303 34 A HN 0.714 nan 8.150 nan 0.000 0.444 35 F N -1.370 118.576 119.950 -0.007 0.000 2.629 35 F HA 0.886 5.405 4.527 -0.014 0.000 0.316 35 F C -0.345 175.493 175.800 0.064 0.000 1.081 35 F CA -0.652 57.421 58.000 0.121 0.000 0.954 35 F CB 1.584 40.702 39.000 0.197 0.000 1.337 35 F HN 0.672 nan 8.300 nan 0.000 0.474 36 S N 0.843 116.699 115.700 0.260 0.000 2.570 36 S HA 0.825 5.290 4.470 -0.008 0.000 0.286 36 S C -1.267 173.596 174.600 0.439 0.000 1.099 36 S CA -0.064 58.208 58.200 0.120 0.000 0.913 36 S CB 1.538 64.777 63.200 0.066 0.000 1.085 36 S HN 1.447 nan 8.310 nan 0.000 0.480 37 S N 2.517 118.403 115.700 0.310 0.000 2.536 37 S HA 0.729 5.194 4.470 -0.008 0.000 0.271 37 S C -2.078 172.624 174.600 0.170 0.000 1.134 37 S CA -0.760 57.670 58.200 0.385 0.000 0.897 37 S CB 0.582 64.017 63.200 0.390 0.000 1.094 37 S HN 0.661 nan 8.310 nan 0.000 0.473 38 W N 2.612 123.937 121.300 0.041 0.000 2.411 38 W HA 0.658 5.313 4.660 -0.008 0.000 0.317 38 W C -0.787 175.683 176.519 -0.081 0.000 1.030 38 W CA -0.812 56.490 57.345 -0.071 0.000 1.239 38 W CB 1.319 30.744 29.460 -0.059 0.000 1.304 38 W HN 0.571 nan 8.180 nan 0.000 0.437 39 L N 4.012 125.221 121.223 -0.024 0.000 2.329 39 L HA 0.641 4.976 4.340 -0.008 0.000 0.279 39 L C -0.761 176.069 176.870 -0.067 0.000 1.014 39 L CA -0.909 53.975 54.840 0.074 0.000 0.814 39 L CB 0.905 43.009 42.059 0.075 0.000 1.257 39 L HN 0.159 nan 8.230 nan 0.000 0.424 40 F N 0.957 121.108 119.950 0.334 0.000 2.546 40 F HA 0.417 4.939 4.527 -0.008 0.000 0.320 40 F C 0.399 176.442 175.800 0.404 0.000 1.076 40 F CA -0.982 57.272 58.000 0.424 0.000 0.928 40 F CB 1.467 40.713 39.000 0.410 0.000 1.189 40 F HN 0.512 nan 8.300 nan 0.000 0.465 41 N N 1.012 120.002 118.700 0.483 0.000 2.476 41 N HA 0.422 5.157 4.740 -0.008 0.000 0.287 41 N C 0.814 176.408 175.510 0.139 0.000 1.262 41 N CA -0.159 52.976 53.050 0.143 0.000 0.980 41 N CB 0.023 38.301 38.487 -0.348 0.000 1.163 41 N HN 0.620 nan 8.380 nan 0.000 0.592 42 A N -0.190 122.654 122.820 0.040 0.000 1.986 42 A HA -0.204 4.112 4.320 -0.008 0.000 0.220 42 A C 1.665 179.265 177.584 0.026 0.000 1.171 42 A CA 1.434 53.488 52.037 0.029 0.000 0.640 42 A CB -0.677 18.318 19.000 -0.008 0.000 0.811 42 A HN 0.699 nan 8.150 nan 0.000 0.451 43 K N -1.743 118.663 120.400 0.010 0.000 2.459 43 K HA 0.165 4.480 4.320 -0.008 0.000 0.193 43 K C 1.107 177.758 176.600 0.085 0.000 1.030 43 K CA 0.614 56.914 56.287 0.022 0.000 1.026 43 K CB -0.028 32.466 32.500 -0.010 0.000 0.809 43 K HN 0.759 nan 8.250 nan 0.000 0.504 44 G N 1.921 110.821 108.800 0.167 0.000 2.157 44 G HA2 -0.271 3.684 3.960 -0.008 0.000 0.239 44 G HA3 -0.271 3.684 3.960 -0.008 0.000 0.239 44 G C -0.216 174.943 174.900 0.431 0.000 0.982 44 G CA -0.205 45.062 45.100 0.278 0.000 0.650 44 G HN 0.351 nan 8.290 nan 0.000 0.527 45 Q N -0.409 119.601 119.800 0.350 0.000 2.352 45 Q HA 0.546 4.881 4.340 -0.008 0.000 0.260 45 Q C 0.284 176.576 176.000 0.486 0.000 0.976 45 Q CA -0.520 55.516 55.803 0.389 0.000 0.881 45 Q CB 1.559 30.495 28.738 0.331 0.000 1.235 45 Q HN 0.384 nan 8.270 nan 0.000 0.419 46 L N 3.317 124.691 121.223 0.252 0.000 2.349 46 L HA 0.268 4.603 4.340 -0.008 0.000 0.275 46 L C -1.161 175.654 176.870 -0.093 0.000 1.115 46 L CA -0.290 54.447 54.840 -0.173 0.000 0.820 46 L CB 0.748 42.665 42.059 -0.236 0.000 1.135 46 L HN 0.527 nan 8.230 nan 0.000 0.445 47 L N 6.544 127.547 121.223 -0.367 0.000 2.257 47 L HA 0.517 4.853 4.340 -0.008 0.000 0.290 47 L C -0.876 175.748 176.870 -0.410 0.000 1.044 47 L CA 0.019 54.448 54.840 -0.684 0.000 0.810 47 L CB 1.004 42.403 42.059 -1.100 0.000 1.193 47 L HN 0.430 nan 8.230 nan 0.000 0.425 48 V N 3.841 123.606 119.914 -0.249 0.000 2.472 48 V HA 0.716 4.831 4.120 -0.008 0.000 0.290 48 V C 0.401 176.563 176.094 0.112 0.000 1.037 48 V CA -0.243 62.008 62.300 -0.082 0.000 0.908 48 V CB 1.602 33.422 31.823 -0.005 0.000 0.985 48 V HN 0.899 nan 8.190 nan 0.000 0.454 49 T N 1.704 116.316 114.554 0.095 0.000 2.924 49 T HA 0.680 5.026 4.350 -0.008 0.000 0.291 49 T C -0.620 173.990 174.700 -0.151 0.000 1.045 49 T CA -0.944 61.176 62.100 0.034 0.000 1.015 49 T CB 2.153 70.970 68.868 -0.085 0.000 1.103 49 T HN 0.620 nan 8.240 nan 0.000 0.496 50 R N 0.948 121.135 120.500 -0.522 0.000 2.360 50 R HA 0.429 4.764 4.340 -0.008 0.000 0.318 50 R C -0.190 175.876 176.300 -0.392 0.000 0.950 50 R CA -0.738 54.859 56.100 -0.837 0.000 0.837 50 R CB 0.886 30.218 30.300 -1.614 0.000 1.165 50 R HN 0.663 nan 8.270 nan 0.000 0.458 51 R N 1.906 122.264 120.500 -0.237 0.000 2.679 51 R HA 0.109 4.444 4.340 -0.008 0.000 0.268 51 R C 0.187 176.430 176.300 -0.094 0.000 1.044 51 R CA 0.176 56.222 56.100 -0.091 0.000 1.105 51 R CB 0.580 30.898 30.300 0.030 0.000 0.989 51 R HN 0.610 nan 8.270 nan 0.000 0.447 52 A N 2.852 125.645 122.820 -0.046 0.000 2.466 52 A HA 0.020 4.335 4.320 -0.008 0.000 0.238 52 A C 1.219 178.793 177.584 -0.016 0.000 1.074 52 A CA -0.206 51.810 52.037 -0.035 0.000 0.774 52 A CB 0.119 19.115 19.000 -0.007 0.000 1.015 52 A HN 0.840 nan 8.150 nan 0.000 0.498 53 L N 1.629 122.841 121.223 -0.019 0.000 2.465 53 L HA -0.110 4.225 4.340 -0.008 0.000 0.224 53 L C 2.339 179.219 176.870 0.016 0.000 1.145 53 L CA 1.358 56.194 54.840 -0.007 0.000 0.834 53 L CB -0.315 41.737 42.059 -0.012 0.000 0.944 53 L HN 0.907 nan 8.230 nan 0.000 0.451 54 S N -2.295 113.422 115.700 0.028 0.000 2.558 54 S HA 0.065 4.530 4.470 -0.008 0.000 0.217 54 S C 0.902 175.555 174.600 0.089 0.000 0.975 54 S CA -0.309 57.924 58.200 0.054 0.000 0.912 54 S CB -0.046 63.183 63.200 0.048 0.000 0.776 54 S HN 0.066 nan 8.310 nan 0.000 0.526 55 K N 2.374 122.819 120.400 0.075 0.000 2.485 55 K HA 0.143 4.459 4.320 -0.008 0.000 0.277 55 K C 0.923 177.563 176.600 0.067 0.000 0.990 55 K CA 0.051 56.390 56.287 0.087 0.000 0.994 55 K CB 0.532 33.084 32.500 0.087 0.000 0.906 55 K HN 0.240 nan 8.250 nan 0.000 0.488 56 K N 0.739 121.149 120.400 0.017 0.000 2.155 56 K HA -0.027 4.288 4.320 -0.008 0.000 0.203 56 K C 0.213 176.760 176.600 -0.089 0.000 1.052 56 K CA 0.784 57.010 56.287 -0.101 0.000 0.948 56 K CB 0.309 32.527 32.500 -0.469 0.000 0.728 56 K HN 0.625 nan 8.250 nan 0.000 0.448 57 A N 0.081 122.891 122.820 -0.017 0.000 2.342 57 A HA 0.321 4.637 4.320 -0.008 0.000 0.323 57 A C -0.843 176.954 177.584 0.355 0.000 1.125 57 A CA -0.592 51.498 52.037 0.088 0.000 0.785 57 A CB 0.279 19.426 19.000 0.245 0.000 1.221 57 A HN 0.434 nan 8.150 nan 0.000 0.463 58 W N 0.898 122.279 121.300 0.136 0.000 6.840 58 W HA -0.126 4.526 4.660 -0.013 0.000 0.413 58 W C -2.148 174.415 176.519 0.074 0.000 1.605 58 W CA 0.466 57.895 57.345 0.139 0.000 1.122 58 W CB -1.962 27.661 29.460 0.272 0.000 2.811 58 W HN 0.521 nan 8.180 nan 0.000 1.578 59 P HA 0.173 nan 4.420 nan 0.000 0.269 59 P C 1.003 178.326 177.300 0.038 0.000 1.209 59 P CA 1.726 64.869 63.100 0.072 0.000 0.776 59 P CB 0.720 32.436 31.700 0.026 0.000 0.876 60 G N 0.719 109.506 108.800 -0.022 0.000 2.153 60 G HA2 -0.191 3.764 3.960 -0.008 0.000 0.252 60 G HA3 -0.191 3.764 3.960 -0.008 0.000 0.252 60 G C -0.080 174.739 174.900 -0.135 0.000 0.994 60 G CA -0.021 45.024 45.100 -0.092 0.000 0.698 60 G HN 0.537 nan 8.290 nan 0.000 0.521 61 V N -0.074 119.789 119.914 -0.086 0.000 2.483 61 V HA 0.630 4.745 4.120 -0.008 0.000 0.295 61 V C 0.428 176.420 176.094 -0.170 0.000 1.035 61 V CA -0.980 61.287 62.300 -0.054 0.000 0.896 61 V CB 1.234 33.124 31.823 0.113 0.000 0.986 61 V HN 0.303 nan 8.190 nan 0.000 0.447 62 W N 2.923 124.171 121.300 -0.087 0.000 2.238 62 W HA 0.545 5.202 4.660 -0.006 0.000 0.321 62 W C 0.710 177.176 176.519 -0.088 0.000 1.293 62 W CA 0.597 57.900 57.345 -0.069 0.000 1.204 62 W CB 1.067 30.481 29.460 -0.077 0.000 1.167 62 W HN 0.630 nan 8.180 nan 0.000 0.553 63 T N 1.649 116.275 114.554 0.121 0.000 2.711 63 T HA 0.241 4.586 4.350 -0.008 0.000 0.302 63 T C -0.454 174.097 174.700 -0.248 0.000 1.373 63 T CA -0.951 61.056 62.100 -0.155 0.000 1.000 63 T CB 0.346 69.093 68.868 -0.203 0.000 1.483 63 T HN 0.476 nan 8.240 nan 0.000 0.499 64 N N 0.642 119.043 118.700 -0.499 0.000 2.263 64 N HA 0.242 4.977 4.740 -0.008 0.000 0.239 64 N C 1.296 176.514 175.510 -0.487 0.000 1.317 64 N CA 0.223 52.759 53.050 -0.856 0.000 0.909 64 N CB 0.225 37.672 38.487 -1.733 0.000 1.171 64 N HN 0.372 nan 8.380 nan 0.000 0.492 65 S N -0.955 114.453 115.700 -0.487 0.000 2.351 65 S HA -0.053 4.413 4.470 -0.008 0.000 0.220 65 S C 0.528 175.028 174.600 -0.165 0.000 1.035 65 S CA 0.826 58.857 58.200 -0.281 0.000 1.031 65 S CB -0.161 62.900 63.200 -0.230 0.000 0.928 65 S HN 0.423 nan 8.310 nan 0.000 0.433 66 V N -0.392 119.455 119.914 -0.112 0.000 2.851 66 V HA 0.463 4.578 4.120 -0.008 0.000 0.307 66 V C -0.943 175.086 176.094 -0.108 0.000 1.129 66 V CA -0.962 61.314 62.300 -0.040 0.000 0.932 66 V CB 1.759 33.629 31.823 0.079 0.000 1.024 66 V HN 0.440 nan 8.190 nan 0.000 0.426 67 C N 3.043 122.182 119.300 -0.269 0.000 2.626 67 C HA 1.027 5.482 4.460 -0.008 0.000 0.310 67 C C 0.559 175.025 174.990 -0.872 0.000 1.191 67 C CA 0.628 59.264 59.018 -0.636 0.000 1.517 67 C CB 0.802 28.243 27.740 -0.499 0.000 2.102 67 C HN 1.273 nan 8.230 nan 0.000 0.479 68 G N 2.290 110.154 108.800 -1.560 0.000 2.570 68 G HA2 0.540 4.495 3.960 -0.008 0.000 0.310 68 G HA3 0.540 4.495 3.960 -0.008 0.000 0.310 68 G C -2.067 172.391 174.900 -0.735 0.000 1.266 68 G CA -0.418 44.162 45.100 -0.866 0.000 0.825 68 G HN 0.722 nan 8.290 nan 0.000 0.483 69 H N 0.744 119.877 119.070 0.105 0.000 2.860 69 H HA 0.474 5.032 4.556 0.003 0.000 0.312 69 H C -2.498 172.954 175.328 0.206 0.000 0.995 69 H CA -1.273 54.878 56.048 0.172 0.000 1.311 69 H CB 1.845 31.675 29.762 0.113 0.000 1.478 69 H HN 0.204 nan 8.280 nan 0.000 0.508 70 P HA -0.037 nan 4.420 nan 0.000 0.266 70 P C -0.186 177.195 177.300 0.136 0.000 1.195 70 P CA -0.144 63.067 63.100 0.186 0.000 0.768 70 P CB 0.855 32.655 31.700 0.167 0.000 0.838 71 Q N 1.331 121.161 119.800 0.050 0.000 2.199 71 Q HA 0.296 4.631 4.340 -0.008 0.000 0.232 71 Q C -0.100 176.020 176.000 0.200 0.000 0.969 71 Q CA -1.073 54.755 55.803 0.041 0.000 0.925 71 Q CB 0.214 28.858 28.738 -0.156 0.000 1.198 71 Q HN 0.277 nan 8.270 nan 0.000 0.494 72 L N 1.198 122.671 121.223 0.416 0.000 2.640 72 L HA 0.006 4.341 4.340 -0.008 0.000 0.280 72 L C 1.428 178.366 176.870 0.113 0.000 1.229 72 L CA 2.167 57.130 54.840 0.204 0.000 0.919 72 L CB -0.987 41.154 42.059 0.136 0.000 1.168 72 L HN 0.971 nan 8.230 nan 0.000 0.496 73 G N 2.496 111.339 108.800 0.071 0.000 2.155 73 G HA2 -0.303 3.652 3.960 -0.008 0.000 0.257 73 G HA3 -0.303 3.652 3.960 -0.008 0.000 0.257 73 G C 0.384 175.304 174.900 0.033 0.000 0.983 73 G CA 0.458 45.585 45.100 0.045 0.000 0.676 73 G HN 0.642 nan 8.290 nan 0.000 0.528 74 E N 0.977 121.199 120.200 0.036 0.000 2.175 74 E HA 0.558 4.904 4.350 -0.008 0.000 0.278 74 E C 0.947 177.544 176.600 -0.006 0.000 0.969 74 E CA -0.029 56.374 56.400 0.005 0.000 0.796 74 E CB 0.754 30.451 29.700 -0.004 0.000 1.104 74 E HN 0.441 nan 8.360 nan 0.000 0.395 75 S N 2.894 118.575 115.700 -0.032 0.000 2.579 75 S HA 0.049 4.514 4.470 -0.008 0.000 0.275 75 S C 0.776 175.308 174.600 -0.113 0.000 1.345 75 S CA -0.134 58.038 58.200 -0.047 0.000 1.031 75 S CB 0.940 64.106 63.200 -0.056 0.000 0.892 75 S HN 0.709 nan 8.310 nan 0.000 0.529 76 N N 1.363 120.002 118.700 -0.103 0.000 2.104 76 N HA -0.155 4.580 4.740 -0.008 0.000 0.190 76 N C 1.462 176.631 175.510 -0.569 0.000 1.024 76 N CA 1.647 54.562 53.050 -0.223 0.000 0.853 76 N CB -0.191 38.317 38.487 0.036 0.000 1.008 76 N HN 0.713 nan 8.380 nan 0.000 0.424 77 E N 0.696 120.619 120.200 -0.462 0.000 2.106 77 E HA -0.127 4.218 4.350 -0.008 0.000 0.192 77 E C 1.202 177.577 176.600 -0.374 0.000 0.984 77 E CA 0.891 56.997 56.400 -0.490 0.000 0.806 77 E CB -0.018 29.518 29.700 -0.273 0.000 0.750 77 E HN 0.286 nan 8.360 nan 0.000 0.458 78 D N -0.103 120.139 120.400 -0.263 0.000 2.178 78 D HA -0.051 4.584 4.640 -0.008 0.000 0.202 78 D C 1.764 177.913 176.300 -0.253 0.000 0.974 78 D CA 1.209 55.090 54.000 -0.199 0.000 0.841 78 D CB -0.206 40.522 40.800 -0.121 0.000 0.953 78 D HN 0.197 nan 8.370 nan 0.000 0.478 79 A N 0.431 123.034 122.820 -0.361 0.000 1.898 79 A HA -0.116 4.199 4.320 -0.008 0.000 0.216 79 A C 2.482 179.633 177.584 -0.720 0.000 1.181 79 A CA 1.010 52.784 52.037 -0.438 0.000 0.620 79 A CB -0.658 18.091 19.000 -0.419 0.000 0.819 79 A HN 0.131 nan 8.150 nan 0.000 0.442 80 V N 0.215 119.513 119.914 -1.027 0.000 2.287 80 V HA -0.294 3.821 4.120 -0.008 0.000 0.248 80 V C 2.425 178.367 176.094 -0.254 0.000 1.053 80 V CA 2.178 64.003 62.300 -0.792 0.000 1.027 80 V CB -0.707 30.750 31.823 -0.610 0.000 0.646 80 V HN 0.578 nan 8.190 nan 0.000 0.447 81 I N -0.303 120.132 120.570 -0.224 0.000 2.226 81 I HA -0.279 3.886 4.170 -0.008 0.000 0.245 81 I C 2.751 178.843 176.117 -0.041 0.000 1.100 81 I CA 1.959 63.203 61.300 -0.094 0.000 1.374 81 I CB -0.415 37.529 38.000 -0.093 0.000 1.057 81 I HN 0.240 nan 8.210 nan 0.000 0.413 82 R N 0.721 121.183 120.500 -0.063 0.000 2.073 82 R HA -0.170 4.166 4.340 -0.008 0.000 0.234 82 R C 2.378 178.725 176.300 0.079 0.000 1.134 82 R CA 1.405 57.504 56.100 -0.001 0.000 0.952 82 R CB -0.044 30.237 30.300 -0.031 0.000 0.850 82 R HN 0.125 nan 8.270 nan 0.000 0.433 83 R N 0.041 120.605 120.500 0.108 0.000 2.153 83 R HA -0.007 4.328 4.340 -0.008 0.000 0.218 83 R C 2.211 178.621 176.300 0.182 0.000 1.072 83 R CA 0.822 57.056 56.100 0.222 0.000 0.990 83 R CB -1.027 29.506 30.300 0.388 0.000 0.889 83 R HN 0.364 nan 8.270 nan 0.000 0.452 84 C N 0.007 119.379 119.300 0.119 0.000 2.440 84 C HA -0.013 4.442 4.460 -0.008 0.000 0.278 84 C C 2.637 177.667 174.990 0.066 0.000 1.295 84 C CA 0.491 59.557 59.018 0.081 0.000 1.738 84 C CB -0.635 27.142 27.740 0.062 0.000 1.987 84 C HN 0.448 nan 8.230 nan 0.000 0.492 85 R N -0.894 119.652 120.500 0.077 0.000 2.073 85 R HA -0.106 4.229 4.340 -0.008 0.000 0.229 85 R C 2.190 178.543 176.300 0.088 0.000 1.120 85 R CA 1.522 57.664 56.100 0.069 0.000 0.967 85 R CB -0.490 29.851 30.300 0.068 0.000 0.862 85 R HN 0.636 nan 8.270 nan 0.000 0.436 86 Y N 1.811 122.121 120.300 0.017 0.000 2.163 86 Y HA -0.142 4.410 4.550 0.003 0.000 0.288 86 Y C 1.724 177.631 175.900 0.012 0.000 1.136 86 Y CA 1.608 59.718 58.100 0.017 0.000 1.147 86 Y CB 0.202 38.679 38.460 0.028 0.000 0.987 86 Y HN 0.042 nan 8.280 nan 0.000 0.509 87 E N -0.634 119.604 120.200 0.063 0.000 2.140 87 E HA 0.015 4.360 4.350 -0.008 0.000 0.191 87 E C 1.442 177.990 176.600 -0.088 0.000 0.973 87 E CA 1.024 57.404 56.400 -0.034 0.000 0.829 87 E CB 0.142 29.878 29.700 0.060 0.000 0.781 87 E HN 0.429 nan 8.360 nan 0.000 0.466 88 L N -0.474 120.714 121.223 -0.058 0.000 2.966 88 L HA 0.307 4.642 4.340 -0.008 0.000 0.262 88 L C 0.972 177.808 176.870 -0.057 0.000 1.165 88 L CA -0.026 54.763 54.840 -0.084 0.000 0.978 88 L CB 0.846 42.852 42.059 -0.088 0.000 1.337 88 L HN 0.204 nan 8.230 nan 0.000 0.563 89 G N 1.569 110.345 108.800 -0.040 0.000 2.296 89 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.282 89 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.282 89 G C -0.056 174.848 174.900 0.006 0.000 1.014 89 G CA 0.766 45.854 45.100 -0.019 0.000 0.812 89 G HN 0.216 nan 8.290 nan 0.000 0.508 90 V N -0.351 119.573 119.914 0.018 0.000 2.628 90 V HA 0.656 4.772 4.120 -0.008 0.000 0.306 90 V C -0.160 175.962 176.094 0.048 0.000 1.045 90 V CA -1.131 61.193 62.300 0.040 0.000 0.905 90 V CB 1.810 33.666 31.823 0.055 0.000 0.997 90 V HN 0.275 nan 8.190 nan 0.000 0.436 91 E N 5.678 125.909 120.200 0.052 0.000 2.313 91 E HA 0.503 4.848 4.350 -0.008 0.000 0.272 91 E C -0.386 176.256 176.600 0.070 0.000 1.038 91 E CA -0.066 56.364 56.400 0.051 0.000 0.863 91 E CB 1.957 31.682 29.700 0.042 0.000 1.060 91 E HN 0.752 nan 8.360 nan 0.000 0.402 92 I N -2.568 118.042 120.570 0.067 0.000 3.174 92 I HA 0.492 4.657 4.170 -0.008 0.000 0.313 92 I C 0.227 176.394 176.117 0.084 0.000 1.155 92 I CA -1.064 60.292 61.300 0.093 0.000 0.977 92 I CB 2.061 40.120 38.000 0.100 0.000 1.248 92 I HN 0.348 nan 8.210 nan 0.000 0.453 93 T N -0.053 114.570 114.554 0.115 0.000 2.766 93 T HA 0.406 4.751 4.350 -0.008 0.000 0.295 93 T C -2.549 172.208 174.700 0.095 0.000 1.024 93 T CA -1.277 60.885 62.100 0.103 0.000 1.018 93 T CB 0.032 68.978 68.868 0.129 0.000 1.002 93 T HN 0.502 nan 8.240 nan 0.000 0.532 94 P HA 0.249 nan 4.420 nan 0.000 0.266 94 P C -2.349 175.010 177.300 0.099 0.000 1.215 94 P CA -0.877 62.258 63.100 0.058 0.000 0.763 94 P CB -0.603 31.128 31.700 0.050 0.000 0.806 95 P HA 0.051 nan 4.420 nan 0.000 0.265 95 P C -0.329 177.106 177.300 0.225 0.000 1.187 95 P CA 0.565 63.725 63.100 0.100 0.000 0.766 95 P CB 0.542 32.150 31.700 -0.153 0.000 0.820 96 E N 0.611 121.020 120.200 0.349 0.000 2.199 96 E HA 0.341 4.686 4.350 -0.008 0.000 0.269 96 E C -0.461 176.352 176.600 0.354 0.000 0.899 96 E CA -0.766 55.840 56.400 0.344 0.000 0.772 96 E CB 1.292 31.216 29.700 0.374 0.000 1.155 96 E HN 0.273 nan 8.360 nan 0.000 0.408 97 S N 3.332 119.172 115.700 0.232 0.000 2.549 97 S HA 0.188 4.653 4.470 -0.008 0.000 0.279 97 S C 0.620 175.201 174.600 -0.032 0.000 1.321 97 S CA -0.168 58.029 58.200 -0.005 0.000 1.054 97 S CB 0.323 63.513 63.200 -0.017 0.000 0.899 97 S HN 0.594 nan 8.310 nan 0.000 0.497 98 I N 3.128 123.623 120.570 -0.125 0.000 4.338 98 I HA 0.228 4.393 4.170 -0.008 0.000 0.315 98 I C -0.737 175.368 176.117 -0.021 0.000 1.262 98 I CA 0.203 61.456 61.300 -0.078 0.000 1.298 98 I CB 0.591 38.520 38.000 -0.117 0.000 1.257 98 I HN 0.705 nan 8.210 nan 0.000 0.444 99 Y N 3.144 123.328 120.300 -0.193 0.000 2.555 99 Y HA 0.298 4.845 4.550 -0.005 0.000 0.307 99 Y C -2.385 173.460 175.900 -0.093 0.000 1.138 99 Y CA -2.682 55.346 58.100 -0.120 0.000 1.335 99 Y CB 0.179 38.564 38.460 -0.125 0.000 1.115 99 Y HN -0.069 nan 8.280 nan 0.000 0.565 100 P HA -0.064 nan 4.420 nan 0.000 0.221 100 P C 0.493 177.811 177.300 0.030 0.000 1.150 100 P CA 1.473 64.565 63.100 -0.013 0.000 0.800 100 P CB 0.388 32.094 31.700 0.009 0.000 0.787 101 D N -1.437 119.037 120.400 0.122 0.000 2.427 101 D HA 0.005 4.640 4.640 -0.008 0.000 0.224 101 D C 0.149 176.433 176.300 -0.026 0.000 1.157 101 D CA -0.938 53.106 54.000 0.073 0.000 0.828 101 D CB -1.081 39.798 40.800 0.131 0.000 0.974 101 D HN 0.051 nan 8.370 nan 0.000 0.498 102 F N 2.448 122.110 119.950 -0.480 0.000 2.529 102 F HA 0.335 4.857 4.527 -0.008 0.000 0.365 102 F C 0.340 175.993 175.800 -0.245 0.000 1.102 102 F CA -0.400 57.169 58.000 -0.718 0.000 1.271 102 F CB 0.618 38.901 39.000 -1.195 0.000 1.120 102 F HN -0.119 nan 8.300 nan 0.000 0.579 103 R N 6.225 126.164 120.500 -0.934 0.000 2.626 103 R HA 0.436 4.771 4.340 -0.008 0.000 0.274 103 R C -2.100 173.791 176.300 -0.681 0.000 1.031 103 R CA -0.608 55.066 56.100 -0.710 0.000 0.898 103 R CB 1.910 32.018 30.300 -0.320 0.000 1.222 103 R HN 0.859 nan 8.270 nan 0.000 0.455 104 Y N -0.082 119.823 120.300 -0.658 0.000 2.689 104 Y HA 0.599 5.145 4.550 -0.007 0.000 0.333 104 Y C -1.894 173.908 175.900 -0.163 0.000 1.208 104 Y CA -1.205 56.680 58.100 -0.357 0.000 1.055 104 Y CB 1.536 39.833 38.460 -0.272 0.000 1.304 104 Y HN 0.645 nan 8.280 nan 0.000 0.455 105 R N 2.326 122.756 120.500 -0.116 0.000 2.621 105 R HA 0.919 5.254 4.340 -0.008 0.000 0.284 105 R C -1.880 174.536 176.300 0.194 0.000 0.998 105 R CA -0.619 55.405 56.100 -0.126 0.000 0.895 105 R CB 2.094 32.353 30.300 -0.069 0.000 1.195 105 R HN 1.238 nan 8.270 nan 0.000 0.450 106 A N 1.767 124.769 122.820 0.303 0.000 2.609 106 A HA 0.636 4.952 4.320 -0.008 0.000 0.291 106 A C -1.404 176.530 177.584 0.584 0.000 1.096 106 A CA -0.672 51.656 52.037 0.485 0.000 0.684 106 A CB 2.189 21.557 19.000 0.613 0.000 1.282 106 A HN 0.572 nan 8.150 nan 0.000 0.412 107 T N 1.835 116.683 114.554 0.490 0.000 2.824 107 T HA 0.548 4.893 4.350 -0.008 0.000 0.282 107 T C -0.718 174.032 174.700 0.082 0.000 0.993 107 T CA -0.426 61.810 62.100 0.227 0.000 0.967 107 T CB 1.277 70.213 68.868 0.114 0.000 0.960 107 T HN 0.823 nan 8.240 nan 0.000 0.441 108 D N 2.557 122.638 120.400 -0.531 0.000 2.387 108 D HA 0.271 4.906 4.640 -0.008 0.000 0.251 108 D C -1.852 174.209 176.300 -0.399 0.000 1.141 108 D CA -2.231 51.193 54.000 -0.960 0.000 0.987 108 D CB 0.721 40.393 40.800 -1.881 0.000 1.116 108 D HN 0.095 nan 8.370 nan 0.000 0.491 109 P HA -0.086 nan 4.420 nan 0.000 0.221 109 P C 1.038 178.260 177.300 -0.130 0.000 1.145 109 P CA 1.610 64.627 63.100 -0.139 0.000 0.795 109 P CB 0.047 31.689 31.700 -0.095 0.000 0.775 110 S N -2.387 113.209 115.700 -0.173 0.000 2.556 110 S HA 0.366 4.831 4.470 -0.008 0.000 0.216 110 S C 1.484 176.017 174.600 -0.111 0.000 0.970 110 S CA 0.373 58.503 58.200 -0.117 0.000 0.912 110 S CB -0.756 62.382 63.200 -0.104 0.000 0.790 110 S HN 0.262 nan 8.310 nan 0.000 0.504 111 G N 1.005 109.721 108.800 -0.139 0.000 2.176 111 G HA2 -0.163 3.792 3.960 -0.008 0.000 0.232 111 G HA3 -0.163 3.792 3.960 -0.008 0.000 0.232 111 G C -0.091 174.744 174.900 -0.108 0.000 0.986 111 G CA -0.083 44.959 45.100 -0.097 0.000 0.643 111 G HN 0.463 nan 8.290 nan 0.000 0.522 112 I N 1.580 122.041 120.570 -0.182 0.000 2.496 112 I HA 0.380 4.545 4.170 -0.008 0.000 0.285 112 I C 0.947 176.984 176.117 -0.133 0.000 1.080 112 I CA -0.636 60.575 61.300 -0.149 0.000 1.404 112 I CB 1.128 39.022 38.000 -0.177 0.000 1.403 112 I HN -0.099 nan 8.210 nan 0.000 0.539 113 V N 6.458 126.393 119.914 0.034 0.000 2.532 113 V HA 0.333 4.448 4.120 -0.008 0.000 0.295 113 V C 0.315 176.603 176.094 0.324 0.000 1.041 113 V CA -0.752 61.649 62.300 0.169 0.000 0.926 113 V CB 1.967 33.855 31.823 0.107 0.000 0.992 113 V HN 0.618 nan 8.190 nan 0.000 0.457 114 E N 3.186 123.664 120.200 0.464 0.000 2.183 114 E HA 0.418 4.763 4.350 -0.008 0.000 0.271 114 E C -1.043 175.484 176.600 -0.122 0.000 0.919 114 E CA -0.502 56.060 56.400 0.270 0.000 0.781 114 E CB 2.024 31.875 29.700 0.252 0.000 1.140 114 E HN 0.601 nan 8.360 nan 0.000 0.402 115 N N 2.667 121.220 118.700 -0.245 0.000 2.607 115 N HA 0.154 4.890 4.740 -0.008 0.000 0.271 115 N C -1.581 173.585 175.510 -0.573 0.000 1.142 115 N CA -0.066 52.756 53.050 -0.381 0.000 0.810 115 N CB 0.736 39.131 38.487 -0.154 0.000 1.306 115 N HN 0.340 nan 8.380 nan 0.000 0.536 116 E N 0.683 120.463 120.200 -0.700 0.000 2.340 116 E HA 0.398 4.743 4.350 -0.008 0.000 0.273 116 E C -0.912 175.444 176.600 -0.407 0.000 0.891 116 E CA -1.051 54.987 56.400 -0.603 0.000 0.757 116 E CB 2.635 32.001 29.700 -0.557 0.000 1.231 116 E HN 0.081 nan 8.360 nan 0.000 0.439 117 V N 1.743 121.496 119.914 -0.269 0.000 2.385 117 V HA 0.135 4.250 4.120 -0.008 0.000 0.269 117 V C -0.453 175.579 176.094 -0.104 0.000 1.043 117 V CA -0.282 61.913 62.300 -0.175 0.000 0.906 117 V CB 0.780 32.546 31.823 -0.095 0.000 0.995 117 V HN 0.773 nan 8.190 nan 0.000 0.467 118 C N 9.192 128.439 119.300 -0.088 0.000 3.164 118 C HA 0.463 4.918 4.460 -0.008 0.000 0.250 118 C C -2.431 172.652 174.990 0.154 0.000 1.151 118 C CA -1.906 57.153 59.018 0.067 0.000 1.449 118 C CB 0.509 28.339 27.740 0.151 0.000 1.825 118 C HN 0.714 nan 8.230 nan 0.000 0.478 119 P HA 0.190 nan 4.420 nan 0.000 0.269 119 P C -0.504 176.779 177.300 -0.028 0.000 1.209 119 P CA 0.516 63.612 63.100 -0.006 0.000 0.776 119 P CB 0.967 32.660 31.700 -0.013 0.000 0.876 120 V N 3.444 123.216 119.914 -0.237 0.000 2.581 120 V HA 0.506 4.621 4.120 -0.008 0.000 0.303 120 V C 0.024 175.875 176.094 -0.405 0.000 1.041 120 V CA -0.252 61.989 62.300 -0.099 0.000 0.907 120 V CB 0.956 32.783 31.823 0.007 0.000 0.994 120 V HN 0.395 nan 8.190 nan 0.000 0.442 121 F N 1.163 121.234 119.950 0.202 0.000 2.640 121 F HA 0.896 5.417 4.527 -0.009 0.000 0.324 121 F C 0.290 176.159 175.800 0.116 0.000 1.077 121 F CA -0.738 57.345 58.000 0.138 0.000 0.965 121 F CB 2.029 41.108 39.000 0.131 0.000 1.351 121 F HN 0.608 nan 8.300 nan 0.000 0.487 122 A N 0.574 123.506 122.820 0.186 0.000 2.454 122 A HA 1.010 5.326 4.320 -0.008 0.000 0.302 122 A C -1.419 176.168 177.584 0.005 0.000 1.079 122 A CA -0.309 51.667 52.037 -0.100 0.000 0.731 122 A CB 1.597 20.092 19.000 -0.842 0.000 1.299 122 A HN 1.359 nan 8.150 nan 0.000 0.413 123 A N 0.923 123.803 122.820 0.100 0.000 2.599 123 A HA 0.824 5.140 4.320 -0.008 0.000 0.290 123 A C -1.172 176.724 177.584 0.520 0.000 1.101 123 A CA -0.795 51.468 52.037 0.375 0.000 0.674 123 A CB 1.134 20.280 19.000 0.245 0.000 1.277 123 A HN 0.723 nan 8.150 nan 0.000 0.419 124 R N 0.920 121.701 120.500 0.469 0.000 2.532 124 R HA 0.554 4.889 4.340 -0.008 0.000 0.295 124 R C -0.196 176.265 176.300 0.270 0.000 0.968 124 R CA -0.122 56.220 56.100 0.403 0.000 0.916 124 R CB 1.545 32.020 30.300 0.293 0.000 1.124 124 R HN 0.959 nan 8.270 nan 0.000 0.463 125 T N -1.584 113.131 114.554 0.268 0.000 2.918 125 T HA 0.100 4.445 4.350 -0.008 0.000 0.302 125 T C 1.103 175.883 174.700 0.134 0.000 1.045 125 T CA -0.318 61.903 62.100 0.200 0.000 1.114 125 T CB 0.905 69.924 68.868 0.252 0.000 0.965 125 T HN 0.709 nan 8.240 nan 0.000 0.540 126 T N -1.837 112.775 114.554 0.098 0.000 3.145 126 T HA 0.424 4.769 4.350 -0.008 0.000 0.281 126 T C 0.480 175.209 174.700 0.049 0.000 1.003 126 T CA -0.011 62.128 62.100 0.065 0.000 0.901 126 T CB -0.336 68.566 68.868 0.056 0.000 1.112 126 T HN 1.008 nan 8.240 nan 0.000 0.535 127 S N 0.223 115.958 115.700 0.058 0.000 2.671 127 S HA 0.831 5.297 4.470 -0.008 0.000 0.277 127 S C -0.540 174.094 174.600 0.057 0.000 1.165 127 S CA -0.715 57.512 58.200 0.045 0.000 0.822 127 S CB 1.128 64.352 63.200 0.041 0.000 1.150 127 S HN 0.655 nan 8.310 nan 0.000 0.479 128 A N 0.943 123.792 122.820 0.047 0.000 2.407 128 A HA 0.603 4.918 4.320 -0.008 0.000 0.248 128 A C 0.306 177.934 177.584 0.075 0.000 1.082 128 A CA -0.672 51.404 52.037 0.064 0.000 0.785 128 A CB -0.468 18.562 19.000 0.051 0.000 1.020 128 A HN 0.814 nan 8.150 nan 0.000 0.489 129 L N 0.579 121.862 121.223 0.101 0.000 2.467 129 L HA 0.308 4.644 4.340 -0.008 0.000 0.270 129 L C 0.512 177.391 176.870 0.015 0.000 1.205 129 L CA 0.080 54.936 54.840 0.027 0.000 0.828 129 L CB 0.227 42.235 42.059 -0.084 0.000 1.101 129 L HN 0.871 nan 8.230 nan 0.000 0.479 130 Q N 2.859 122.649 119.800 -0.018 0.000 2.589 130 Q HA 0.355 4.690 4.340 -0.008 0.000 0.245 130 Q C -1.247 174.727 176.000 -0.043 0.000 0.931 130 Q CA -0.351 55.445 55.803 -0.011 0.000 0.730 130 Q CB 0.815 29.551 28.738 -0.005 0.000 1.315 130 Q HN 0.397 nan 8.270 nan 0.000 0.469 131 I N 2.948 123.498 120.570 -0.034 0.000 2.588 131 I HA 0.160 4.325 4.170 -0.008 0.000 0.283 131 I C 0.246 176.325 176.117 -0.064 0.000 1.119 131 I CA -0.122 61.145 61.300 -0.054 0.000 1.419 131 I CB 0.567 38.573 38.000 0.010 0.000 1.394 131 I HN 0.705 nan 8.210 nan 0.000 0.562 132 N N 5.372 124.009 118.700 -0.104 0.000 2.439 132 N HA 0.065 4.800 4.740 -0.008 0.000 0.249 132 N C 0.461 175.916 175.510 -0.090 0.000 1.003 132 N CA -0.459 52.508 53.050 -0.138 0.000 0.942 132 N CB 0.773 39.096 38.487 -0.273 0.000 1.115 132 N HN 0.442 nan 8.380 nan 0.000 0.505 133 D N 1.801 122.166 120.400 -0.058 0.000 2.363 133 D HA -0.073 4.562 4.640 -0.008 0.000 0.220 133 D C 0.213 176.496 176.300 -0.029 0.000 0.994 133 D CA 0.480 54.460 54.000 -0.032 0.000 0.890 133 D CB 0.144 40.934 40.800 -0.016 0.000 0.906 133 D HN 0.402 nan 8.370 nan 0.000 0.530 134 D N 0.337 120.715 120.400 -0.037 0.000 2.312 134 D HA -0.068 4.567 4.640 -0.008 0.000 0.211 134 D C 1.404 177.713 176.300 0.015 0.000 0.964 134 D CA 0.692 54.689 54.000 -0.005 0.000 0.877 134 D CB 0.370 41.175 40.800 0.008 0.000 0.924 134 D HN 0.357 nan 8.370 nan 0.000 0.515 135 E N -0.435 119.760 120.200 -0.009 0.000 2.367 135 E HA 0.120 4.466 4.350 -0.008 0.000 0.204 135 E C 0.187 176.778 176.600 -0.015 0.000 0.840 135 E CA 0.245 56.654 56.400 0.015 0.000 1.051 135 E CB 1.646 31.362 29.700 0.027 0.000 1.051 135 E HN -0.034 nan 8.360 nan 0.000 0.509 136 V N 3.499 123.391 119.914 -0.037 0.000 2.483 136 V HA 0.197 4.312 4.120 -0.008 0.000 0.297 136 V C 0.805 176.872 176.094 -0.044 0.000 1.027 136 V CA -0.224 62.045 62.300 -0.053 0.000 0.855 136 V CB 1.546 33.337 31.823 -0.055 0.000 0.995 136 V HN 0.205 nan 8.190 nan 0.000 0.424 137 M N 0.784 120.334 119.600 -0.084 0.000 2.465 137 M HA 0.516 4.991 4.480 -0.008 0.000 0.249 137 M C -0.035 176.217 176.300 -0.080 0.000 1.130 137 M CA 0.849 56.102 55.300 -0.078 0.000 1.067 137 M CB 0.637 33.173 32.600 -0.106 0.000 1.394 137 M HN 0.551 nan 8.290 nan 0.000 0.483 138 D N -0.040 120.295 120.400 -0.108 0.000 2.742 138 D HA 0.397 5.032 4.640 -0.008 0.000 0.262 138 D C -1.978 174.329 176.300 0.013 0.000 1.240 138 D CA -0.259 53.691 54.000 -0.083 0.000 0.752 138 D CB 1.555 42.257 40.800 -0.163 0.000 1.290 138 D HN 0.298 nan 8.370 nan 0.000 0.420 139 Y N -0.509 119.829 120.300 0.064 0.000 2.677 139 Y HA 0.691 5.236 4.550 -0.008 0.000 0.334 139 Y C -1.878 174.129 175.900 0.178 0.000 1.196 139 Y CA -0.904 57.269 58.100 0.122 0.000 1.059 139 Y CB 1.173 39.577 38.460 -0.093 0.000 1.315 139 Y HN 0.237 nan 8.280 nan 0.000 0.455 140 Q N 1.353 121.280 119.800 0.212 0.000 2.271 140 Q HA 0.422 4.757 4.340 -0.008 0.000 0.268 140 Q C -2.458 173.536 176.000 -0.009 0.000 1.021 140 Q CA -0.576 55.249 55.803 0.037 0.000 0.802 140 Q CB 1.446 30.152 28.738 -0.054 0.000 1.282 140 Q HN 0.731 nan 8.270 nan 0.000 0.431 141 W N 4.773 126.165 121.300 0.153 0.000 2.345 141 W HA 0.520 5.175 4.660 -0.007 0.000 0.308 141 W C -0.028 176.521 176.519 0.050 0.000 1.273 141 W CA -0.214 57.197 57.345 0.109 0.000 1.243 141 W CB 0.603 30.137 29.460 0.124 0.000 1.260 141 W HN 0.756 nan 8.180 nan 0.000 0.509 142 C N 0.082 119.533 119.300 0.251 0.000 3.336 142 C HA 0.529 4.985 4.460 -0.008 0.000 0.352 142 C C -0.627 174.455 174.990 0.153 0.000 1.567 142 C CA -1.183 57.923 59.018 0.147 0.000 1.328 142 C CB 1.231 29.000 27.740 0.048 0.000 1.922 142 C HN 0.418 nan 8.230 nan 0.000 0.439 143 D N 1.019 121.483 120.400 0.107 0.000 2.308 143 D HA 0.324 4.959 4.640 -0.008 0.000 0.251 143 D C 0.820 177.189 176.300 0.115 0.000 1.127 143 D CA -0.328 53.742 54.000 0.117 0.000 0.876 143 D CB 1.383 42.227 40.800 0.074 0.000 1.176 143 D HN 0.588 nan 8.370 nan 0.000 0.446 144 L N 3.655 124.984 121.223 0.177 0.000 2.079 144 L HA -0.177 4.158 4.340 -0.008 0.000 0.210 144 L C 1.956 178.897 176.870 0.119 0.000 1.081 144 L CA 1.946 56.894 54.840 0.181 0.000 0.752 144 L CB -0.641 41.594 42.059 0.294 0.000 0.896 144 L HN 0.483 nan 8.230 nan 0.000 0.433 145 A N -0.714 122.173 122.820 0.112 0.000 1.908 145 A HA -0.244 4.071 4.320 -0.008 0.000 0.218 145 A C 1.998 179.666 177.584 0.139 0.000 1.181 145 A CA 2.060 54.172 52.037 0.125 0.000 0.627 145 A CB -0.818 18.227 19.000 0.074 0.000 0.818 145 A HN 0.575 nan 8.150 nan 0.000 0.445 146 D N -0.483 119.943 120.400 0.043 0.000 2.149 146 D HA -0.058 4.577 4.640 -0.008 0.000 0.201 146 D C 2.066 178.378 176.300 0.020 0.000 0.972 146 D CA 1.256 55.257 54.000 0.001 0.000 0.835 146 D CB -0.366 40.417 40.800 -0.028 0.000 0.966 146 D HN 0.242 nan 8.370 nan 0.000 0.476 147 V N 1.371 121.280 119.914 -0.008 0.000 2.358 147 V HA -0.187 3.928 4.120 -0.008 0.000 0.246 147 V C 2.647 178.652 176.094 -0.150 0.000 1.047 147 V CA 1.002 63.234 62.300 -0.113 0.000 1.035 147 V CB -0.417 31.347 31.823 -0.097 0.000 0.658 147 V HN 0.183 nan 8.190 nan 0.000 0.452 148 L N -0.874 120.324 121.223 -0.041 0.000 2.046 148 L HA -0.206 4.129 4.340 -0.008 0.000 0.208 148 L C 2.595 179.411 176.870 -0.090 0.000 1.077 148 L CA 1.708 56.499 54.840 -0.080 0.000 0.747 148 L CB -0.907 41.122 42.059 -0.051 0.000 0.896 148 L HN 0.450 nan 8.230 nan 0.000 0.432 149 H N -0.543 118.474 119.070 -0.087 0.000 2.389 149 H HA -0.091 4.460 4.556 -0.008 0.000 0.299 149 H C 2.229 177.510 175.328 -0.077 0.000 1.081 149 H CA 1.253 57.260 56.048 -0.068 0.000 1.345 149 H CB 0.009 29.744 29.762 -0.045 0.000 1.393 149 H HN 0.401 nan 8.280 nan 0.000 0.520 150 G N 0.937 109.751 108.800 0.023 0.000 2.402 150 G HA2 -0.177 3.778 3.960 -0.008 0.000 0.216 150 G HA3 -0.177 3.778 3.960 -0.008 0.000 0.216 150 G C 1.821 176.700 174.900 -0.035 0.000 1.162 150 G CA 0.451 45.564 45.100 0.022 0.000 0.777 150 G HN 0.257 nan 8.290 nan 0.000 0.539 151 I N 0.929 121.339 120.570 -0.268 0.000 2.286 151 I HA -0.134 4.032 4.170 -0.008 0.000 0.248 151 I C 2.196 178.235 176.117 -0.130 0.000 1.115 151 I CA 1.126 62.258 61.300 -0.279 0.000 1.392 151 I CB -0.100 37.681 38.000 -0.365 0.000 1.065 151 I HN 0.042 nan 8.210 nan 0.000 0.418 152 D N 0.737 121.062 120.400 -0.125 0.000 2.144 152 D HA -0.100 4.535 4.640 -0.008 0.000 0.200 152 D C 2.178 178.440 176.300 -0.063 0.000 0.978 152 D CA 1.491 55.430 54.000 -0.102 0.000 0.833 152 D CB -0.057 40.654 40.800 -0.148 0.000 0.961 152 D HN 0.351 nan 8.370 nan 0.000 0.470 153 A N -0.128 122.661 122.820 -0.052 0.000 1.903 153 A HA 0.037 4.352 4.320 -0.008 0.000 0.213 153 A C 1.340 178.876 177.584 -0.080 0.000 1.185 153 A CA 1.415 53.435 52.037 -0.029 0.000 0.628 153 A CB -0.072 18.927 19.000 -0.002 0.000 0.830 153 A HN 0.262 nan 8.150 nan 0.000 0.446 154 T N -3.198 111.222 114.554 -0.223 0.000 3.504 154 T HA 0.414 4.760 4.350 -0.008 0.000 0.286 154 T C -2.097 172.155 174.700 -0.746 0.000 1.530 154 T CA -1.221 60.457 62.100 -0.704 0.000 1.652 154 T CB 1.322 69.600 68.868 -0.983 0.000 0.895 154 T HN 0.142 nan 8.240 nan 0.000 0.674 155 P HA -0.090 nan 4.420 nan 0.000 0.218 155 P C 1.733 178.985 177.300 -0.079 0.000 1.149 155 P CA 0.926 63.970 63.100 -0.093 0.000 0.817 155 P CB -0.228 31.472 31.700 0.001 0.000 0.785 156 W N -0.012 121.335 121.300 0.079 0.000 2.538 156 W HA 0.202 4.857 4.660 -0.009 0.000 0.254 156 W C 1.316 177.817 176.519 -0.029 0.000 1.249 156 W CA 0.470 57.837 57.345 0.037 0.000 1.253 156 W CB -1.681 27.797 29.460 0.029 0.000 1.130 156 W HN -0.065 nan 8.180 nan 0.000 0.618 157 A N -0.039 122.512 122.820 -0.448 0.000 2.238 157 A HA 0.245 4.560 4.320 -0.008 0.000 0.208 157 A C -0.012 177.117 177.584 -0.758 0.000 1.177 157 A CA 0.358 52.037 52.037 -0.597 0.000 0.804 157 A CB -0.605 17.727 19.000 -1.113 0.000 0.823 157 A HN 0.150 nan 8.150 nan 0.000 0.482 158 F N -0.926 118.956 119.950 -0.113 0.000 2.611 158 F HA 0.447 4.969 4.527 -0.009 0.000 0.324 158 F C 0.930 176.574 175.800 -0.260 0.000 1.061 158 F CA -0.795 57.113 58.000 -0.154 0.000 0.954 158 F CB 1.267 40.139 39.000 -0.213 0.000 1.301 158 F HN 0.000 nan 8.300 nan 0.000 0.482 159 S N 1.799 117.302 115.700 -0.328 0.000 2.568 159 S HA 0.117 4.582 4.470 -0.008 0.000 0.282 159 S C -1.893 172.267 174.600 -0.733 0.000 1.338 159 S CA -0.826 56.846 58.200 -0.879 0.000 1.045 159 S CB 0.743 62.718 63.200 -2.042 0.000 0.873 159 S HN 0.450 nan 8.310 nan 0.000 0.516 160 P HA -0.074 nan 4.420 nan 0.000 0.218 160 P C 1.307 178.441 177.300 -0.277 0.000 1.149 160 P CA 1.347 64.299 63.100 -0.247 0.000 0.817 160 P CB -0.271 31.413 31.700 -0.026 0.000 0.785 161 W N -0.693 120.345 121.300 -0.437 0.000 2.418 161 W HA 0.095 4.755 4.660 -0.000 0.000 0.292 161 W C 2.325 178.631 176.519 -0.354 0.000 1.213 161 W CA 0.491 57.513 57.345 -0.538 0.000 1.283 161 W CB -1.689 27.268 29.460 -0.838 0.000 1.119 161 W HN -0.218 nan 8.180 nan 0.000 0.542 162 M N 1.115 120.331 119.600 -0.641 0.000 2.080 162 M HA -0.217 4.259 4.480 -0.008 0.000 0.260 162 M C 1.827 178.048 176.300 -0.131 0.000 1.068 162 M CA 2.291 57.396 55.300 -0.325 0.000 1.109 162 M CB -0.455 31.849 32.600 -0.494 0.000 1.342 162 M HN 0.038 nan 8.290 nan 0.000 0.405 163 V N 1.160 120.964 119.914 -0.184 0.000 2.255 163 V HA -0.343 3.773 4.120 -0.008 0.000 0.247 163 V C 2.389 178.451 176.094 -0.053 0.000 1.051 163 V CA 2.329 64.572 62.300 -0.096 0.000 1.018 163 V CB -0.725 31.062 31.823 -0.059 0.000 0.641 163 V HN 0.578 nan 8.190 nan 0.000 0.445 164 M N -0.726 118.850 119.600 -0.039 0.000 2.117 164 M HA -0.246 4.229 4.480 -0.008 0.000 0.262 164 M C 2.317 178.593 176.300 -0.039 0.000 1.065 164 M CA 1.879 57.196 55.300 0.028 0.000 1.114 164 M CB -0.605 32.107 32.600 0.187 0.000 1.361 164 M HN 0.348 nan 8.290 nan 0.000 0.408 165 Q N 0.382 120.062 119.800 -0.200 0.000 2.084 165 Q HA -0.107 4.228 4.340 -0.008 0.000 0.202 165 Q C 2.272 178.205 176.000 -0.112 0.000 0.978 165 Q CA 1.637 57.352 55.803 -0.146 0.000 0.844 165 Q CB -0.311 28.382 28.738 -0.075 0.000 0.898 165 Q HN 0.616 nan 8.270 nan 0.000 0.426 166 A N 0.775 123.548 122.820 -0.079 0.000 2.067 166 A HA -0.095 4.221 4.320 -0.008 0.000 0.217 166 A C 2.111 179.600 177.584 -0.159 0.000 1.156 166 A CA 1.483 53.420 52.037 -0.167 0.000 0.683 166 A CB -0.401 18.564 19.000 -0.059 0.000 0.808 166 A HN 0.473 nan 8.150 nan 0.000 0.455 167 T N -2.490 112.001 114.554 -0.106 0.000 3.081 167 T HA 0.071 4.416 4.350 -0.008 0.000 0.250 167 T C 0.633 175.269 174.700 -0.106 0.000 1.100 167 T CA -0.054 61.990 62.100 -0.093 0.000 1.038 167 T CB -0.522 68.318 68.868 -0.047 0.000 0.962 167 T HN 0.402 nan 8.240 nan 0.000 0.516 168 N N 1.513 120.124 118.700 -0.148 0.000 2.475 168 N HA 0.075 4.810 4.740 -0.008 0.000 0.267 168 N C 1.116 176.465 175.510 -0.268 0.000 1.169 168 N CA -0.227 52.671 53.050 -0.253 0.000 0.947 168 N CB 0.710 38.856 38.487 -0.570 0.000 1.061 168 N HN 0.265 nan 8.380 nan 0.000 0.466 169 R N 2.258 122.632 120.500 -0.210 0.000 2.096 169 R HA -0.229 4.106 4.340 -0.008 0.000 0.240 169 R C 1.506 177.688 176.300 -0.197 0.000 1.139 169 R CA 1.953 57.950 56.100 -0.171 0.000 0.952 169 R CB -0.090 30.134 30.300 -0.126 0.000 0.854 169 R HN 0.679 nan 8.270 nan 0.000 0.436 170 E N 0.394 120.449 120.200 -0.241 0.000 2.112 170 E HA -0.060 4.285 4.350 -0.008 0.000 0.190 170 E C 1.764 178.215 176.600 -0.249 0.000 0.979 170 E CA 1.272 57.543 56.400 -0.214 0.000 0.814 170 E CB -0.106 29.476 29.700 -0.196 0.000 0.762 170 E HN 0.306 nan 8.360 nan 0.000 0.460 171 A N 1.229 123.829 122.820 -0.367 0.000 1.917 171 A HA -0.244 4.071 4.320 -0.008 0.000 0.219 171 A C 2.325 179.721 177.584 -0.313 0.000 1.182 171 A CA 1.909 53.739 52.037 -0.345 0.000 0.633 171 A CB -0.689 18.066 19.000 -0.407 0.000 0.819 171 A HN 0.285 nan 8.150 nan 0.000 0.448 172 R N -0.330 119.996 120.500 -0.289 0.000 2.092 172 R HA -0.100 4.235 4.340 -0.008 0.000 0.231 172 R C 2.078 178.268 176.300 -0.182 0.000 1.119 172 R CA 1.530 57.479 56.100 -0.252 0.000 0.970 172 R CB -0.193 29.982 30.300 -0.207 0.000 0.864 172 R HN 0.507 nan 8.270 nan 0.000 0.440 173 K N 0.018 120.325 120.400 -0.156 0.000 2.026 173 K HA -0.144 4.172 4.320 -0.008 0.000 0.208 173 K C 2.237 178.781 176.600 -0.093 0.000 1.048 173 K CA 1.505 57.726 56.287 -0.109 0.000 0.929 173 K CB -0.054 32.388 32.500 -0.096 0.000 0.713 173 K HN 0.141 nan 8.250 nan 0.000 0.439 174 R N 0.795 121.231 120.500 -0.106 0.000 2.092 174 R HA -0.018 4.317 4.340 -0.008 0.000 0.231 174 R C 2.343 178.611 176.300 -0.054 0.000 1.119 174 R CA 0.793 56.857 56.100 -0.061 0.000 0.970 174 R CB -0.268 29.995 30.300 -0.061 0.000 0.864 174 R HN 0.115 nan 8.270 nan 0.000 0.440 175 L N -0.149 120.983 121.223 -0.152 0.000 2.017 175 L HA -0.215 4.121 4.340 -0.008 0.000 0.208 175 L C 2.236 179.073 176.870 -0.055 0.000 1.073 175 L CA 1.358 56.112 54.840 -0.142 0.000 0.745 175 L CB -0.396 41.492 42.059 -0.285 0.000 0.894 175 L HN 0.180 nan 8.230 nan 0.000 0.432 176 S N -0.192 115.473 115.700 -0.059 0.000 2.368 176 S HA -0.146 4.319 4.470 -0.008 0.000 0.224 176 S C 2.168 176.746 174.600 -0.037 0.000 1.029 176 S CA 1.162 59.345 58.200 -0.029 0.000 0.988 176 S CB -0.308 62.869 63.200 -0.037 0.000 0.838 176 S HN 0.495 nan 8.310 nan 0.000 0.462 177 A N 0.708 123.504 122.820 -0.039 0.000 1.972 177 A HA -0.042 4.273 4.320 -0.008 0.000 0.219 177 A C 1.831 179.374 177.584 -0.069 0.000 1.169 177 A CA 1.104 53.113 52.037 -0.047 0.000 0.635 177 A CB -0.885 18.091 19.000 -0.039 0.000 0.810 177 A HN 0.468 nan 8.150 nan 0.000 0.446 178 F N 1.520 121.329 119.950 -0.235 0.000 2.236 178 F HA -0.127 4.395 4.527 -0.007 0.000 0.302 178 F C 1.503 177.066 175.800 -0.395 0.000 1.073 178 F CA 1.745 59.543 58.000 -0.336 0.000 1.336 178 F CB 0.015 38.715 39.000 -0.500 0.000 1.040 178 F HN 0.365 nan 8.300 nan 0.000 0.507 179 T N 0.000 114.422 114.554 -0.220 0.000 3.816 179 T HA 0.000 4.345 4.350 -0.008 0.000 0.228 179 T CA 0.000 61.998 62.100 -0.170 0.000 1.349 179 T CB 0.000 68.806 68.868 -0.104 0.000 0.612 179 T HN 0.000 nan 8.240 nan 0.000 0.658