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 1p7n_1_A DATA FIRST_RESID -28 DATA SEQUENCE GPTSPGPALT DWARVREELA STGPPVVAMP VVIKTEGPAW TPLEPKLITR DATA SEQUENCE LADTVRTKGL RSPITMAEVE ALMSSPLLPH DVTNLMRVIL GPAPYALWMD DATA SEQUENCE AWGVQLQTVI AAATRDPRHP ANGQGRGERT NLNRLKGLAD GMVGNPQGQA DATA SEQUENCE ALLRPGELVA ITASALQAFR EVARLA 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 -28 G HA2 0.000 nan 3.960 nan 0.000 0.244 -28 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -28 G C 0.000 174.894 174.900 -0.011 0.000 0.946 -28 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 -27 P HA 0.162 nan 4.420 nan 0.000 0.254 -27 P C 0.709 178.000 177.300 -0.014 0.000 1.186 -27 P CA 0.711 63.803 63.100 -0.014 0.000 0.868 -27 P CB 0.479 32.170 31.700 -0.015 0.000 0.856 -26 T N -2.929 111.615 114.554 -0.016 0.000 3.004 -26 T HA 0.087 4.437 4.350 0.000 0.000 0.266 -26 T C 1.476 176.162 174.700 -0.025 0.000 0.986 -26 T CA 0.086 62.173 62.100 -0.022 0.000 0.902 -26 T CB -0.058 68.798 68.868 -0.020 0.000 1.118 -26 T HN 0.060 nan 8.240 nan 0.000 0.522 -25 S N 2.892 118.580 115.700 -0.020 0.000 2.335 -25 S HA 0.091 4.561 4.470 0.000 0.000 0.217 -25 S C -0.305 174.282 174.600 -0.021 0.000 1.032 -25 S CA 0.994 59.182 58.200 -0.020 0.000 0.985 -25 S CB -1.253 61.938 63.200 -0.016 0.000 0.896 -25 S HN 0.476 nan 8.310 nan 0.000 0.445 -24 P HA 0.129 nan 4.420 nan 0.000 0.208 -24 P C 0.438 177.725 177.300 -0.022 0.000 1.195 -24 P CA 1.020 64.109 63.100 -0.018 0.000 0.927 -24 P CB -0.227 31.465 31.700 -0.015 0.000 0.778 -23 G N -0.963 107.824 108.800 -0.022 0.000 2.753 -23 G HA2 0.511 4.471 3.960 0.000 0.000 0.295 -23 G HA3 0.511 4.471 3.960 0.000 0.000 0.295 -23 G C -3.198 171.684 174.900 -0.029 0.000 1.437 -23 G CA -0.738 44.346 45.100 -0.027 0.000 1.094 -23 G HN -0.126 nan 8.290 nan 0.000 0.540 -22 P HA 0.391 nan 4.420 nan 0.000 0.274 -22 P C 0.964 178.243 177.300 -0.035 0.000 1.504 -22 P CA -0.202 62.870 63.100 -0.045 0.000 1.011 -22 P CB 1.480 33.134 31.700 -0.078 0.000 1.366 -21 A N 4.056 126.867 122.820 -0.015 0.000 1.884 -21 A HA -0.144 4.176 4.320 0.000 0.000 0.219 -21 A C 0.836 178.419 177.584 -0.001 0.000 1.197 -21 A CA 1.391 53.427 52.037 -0.001 0.000 0.637 -21 A CB -0.875 18.134 19.000 0.015 0.000 0.827 -21 A HN 0.438 nan 8.150 nan 0.000 0.450 -20 L N 0.465 121.690 121.223 0.004 0.000 2.295 -20 L HA 0.329 4.669 4.340 0.000 0.000 0.285 -20 L C 0.087 176.938 176.870 -0.033 0.000 1.035 -20 L CA 0.096 54.945 54.840 0.016 0.000 0.806 -20 L CB 1.116 43.206 42.059 0.052 0.000 1.214 -20 L HN 0.173 nan 8.230 nan 0.000 0.426 -19 T N 2.162 116.669 114.554 -0.079 0.000 2.765 -19 T HA -0.110 4.240 4.350 0.000 0.000 0.275 -19 T C 0.069 174.591 174.700 -0.296 0.000 1.007 -19 T CA 0.203 62.127 62.100 -0.293 0.000 1.175 -19 T CB -0.317 68.237 68.868 -0.523 0.000 0.993 -19 T HN 0.462 nan 8.240 nan 0.000 0.510 -18 D N 2.440 122.675 120.400 -0.274 0.000 2.435 -18 D HA 0.131 4.771 4.640 0.000 0.000 0.230 -18 D C 0.115 176.323 176.300 -0.153 0.000 1.215 -18 D CA -0.477 53.443 54.000 -0.134 0.000 0.947 -18 D CB 0.021 40.766 40.800 -0.092 0.000 1.048 -18 D HN 0.642 nan 8.370 nan 0.000 0.512 -17 W N 2.855 124.159 121.300 0.007 0.000 2.800 -17 W HA 0.122 4.782 4.660 0.000 0.000 0.249 -17 W C 2.192 178.714 176.519 0.005 0.000 1.294 -17 W CA 0.161 57.510 57.345 0.006 0.000 1.402 -17 W CB 0.171 29.635 29.460 0.007 0.000 1.126 -17 W HN 0.527 nan 8.180 nan 0.000 0.652 -16 A N 0.585 123.519 122.820 0.190 0.000 1.877 -16 A HA -0.197 4.123 4.320 0.000 0.000 0.216 -16 A C 1.980 179.617 177.584 0.088 0.000 1.186 -16 A CA 1.539 53.648 52.037 0.119 0.000 0.620 -16 A CB -0.495 18.551 19.000 0.076 0.000 0.822 -16 A HN 0.091 nan 8.150 nan 0.000 0.443 -15 R N -0.326 120.205 120.500 0.051 0.000 2.073 -15 R HA -0.082 4.258 4.340 0.000 0.000 0.234 -15 R C 2.062 178.388 176.300 0.042 0.000 1.134 -15 R CA 1.539 57.654 56.100 0.024 0.000 0.952 -15 R CB -1.251 29.039 30.300 -0.017 0.000 0.850 -15 R HN 0.364 nan 8.270 nan 0.000 0.433 -14 V N 0.932 120.884 119.914 0.062 0.000 2.282 -14 V HA -0.312 3.808 4.120 0.000 0.000 0.249 -14 V C 2.447 178.623 176.094 0.137 0.000 1.057 -14 V CA 2.254 64.621 62.300 0.111 0.000 1.032 -14 V CB -0.608 31.359 31.823 0.240 0.000 0.645 -14 V HN 0.354 nan 8.190 nan 0.000 0.447 -13 R N 0.376 120.972 120.500 0.160 0.000 2.122 -13 R HA -0.264 4.076 4.340 0.000 0.000 0.236 -13 R C 2.357 178.699 176.300 0.071 0.000 1.129 -13 R CA 2.534 58.700 56.100 0.110 0.000 0.925 -13 R CB -0.476 29.882 30.300 0.097 0.000 0.850 -13 R HN 0.628 nan 8.270 nan 0.000 0.431 -12 E N -0.169 120.066 120.200 0.058 0.000 2.086 -12 E HA -0.249 4.101 4.350 0.000 0.000 0.200 -12 E C 2.060 178.680 176.600 0.034 0.000 1.012 -12 E CA 1.708 58.131 56.400 0.039 0.000 0.812 -12 E CB -0.074 29.644 29.700 0.031 0.000 0.743 -12 E HN 0.443 nan 8.360 nan 0.000 0.453 -11 E N 0.763 120.984 120.200 0.036 0.000 2.002 -11 E HA -0.216 4.134 4.350 0.000 0.000 0.205 -11 E C 2.405 179.024 176.600 0.032 0.000 1.020 -11 E CA 1.057 57.474 56.400 0.029 0.000 0.856 -11 E CB -0.644 29.073 29.700 0.028 0.000 0.788 -11 E HN 0.281 nan 8.360 nan 0.000 0.477 -10 L N 0.807 122.057 121.223 0.044 0.000 2.123 -10 L HA -0.316 4.024 4.340 0.000 0.000 0.217 -10 L C 2.620 179.509 176.870 0.031 0.000 1.081 -10 L CA 1.663 56.528 54.840 0.041 0.000 0.772 -10 L CB -0.932 41.160 42.059 0.055 0.000 0.890 -10 L HN 0.125 nan 8.230 nan 0.000 0.437 -9 A N 0.550 123.388 122.820 0.031 0.000 1.845 -9 A HA -0.192 4.128 4.320 0.000 0.000 0.215 -9 A C 2.278 179.873 177.584 0.018 0.000 1.195 -9 A CA 1.853 53.904 52.037 0.023 0.000 0.616 -9 A CB -0.908 18.107 19.000 0.024 0.000 0.832 -9 A HN 0.527 nan 8.150 nan 0.000 0.443 -8 S N -0.611 115.100 115.700 0.018 0.000 2.894 -8 S HA 0.187 4.658 4.470 0.000 0.000 0.231 -8 S C -0.050 174.558 174.600 0.013 0.000 0.971 -8 S CA 0.713 58.922 58.200 0.014 0.000 1.005 -8 S CB -0.877 62.330 63.200 0.013 0.000 0.799 -8 S HN 0.366 nan 8.310 nan 0.000 0.527 -7 T N 1.216 115.779 114.554 0.014 0.000 3.578 -7 T HA 0.597 4.947 4.350 0.000 0.000 0.329 -7 T C -0.038 174.670 174.700 0.014 0.000 0.913 -7 T CA -0.068 62.040 62.100 0.013 0.000 1.029 -7 T CB 0.758 69.634 68.868 0.014 0.000 1.045 -7 T HN 1.007 nan 8.240 nan 0.000 0.460 -6 G N 4.899 113.705 108.800 0.011 0.000 2.978 -6 G HA2 -0.102 3.858 3.960 0.000 0.000 0.686 -6 G HA3 -0.102 3.858 3.960 0.000 0.000 0.686 -6 G C -2.404 172.502 174.900 0.011 0.000 1.288 -6 G CA -0.777 44.329 45.100 0.011 0.000 1.026 -6 G HN 0.533 nan 8.290 nan 0.000 0.587 -5 P HA 0.113 nan 4.420 nan 0.000 0.224 -5 P C -0.798 176.507 177.300 0.008 0.000 1.159 -5 P CA 0.621 63.726 63.100 0.008 0.000 0.824 -5 P CB -0.137 31.567 31.700 0.007 0.000 0.833 -4 P HA -0.231 nan 4.420 nan 0.000 0.235 -4 P C 0.709 178.013 177.300 0.006 0.000 0.775 -4 P CA 1.463 64.567 63.100 0.006 0.000 1.099 -4 P CB -0.662 31.043 31.700 0.007 0.000 0.733 -3 V N -2.881 117.038 119.914 0.008 0.000 3.438 -3 V HA 0.504 4.624 4.120 0.000 0.000 0.298 -3 V C 0.869 176.970 176.094 0.010 0.000 1.148 -3 V CA -0.150 62.154 62.300 0.007 0.000 0.994 -3 V CB 1.464 33.291 31.823 0.007 0.000 1.236 -3 V HN 0.167 nan 8.190 nan 0.000 0.455 -2 V N -2.850 117.071 119.914 0.012 0.000 3.651 -2 V HA 0.620 4.740 4.120 0.000 0.000 0.318 -2 V C 0.191 176.300 176.094 0.025 0.000 1.714 -2 V CA -0.543 61.768 62.300 0.018 0.000 0.912 -2 V CB 0.564 32.396 31.823 0.015 0.000 0.972 -2 V HN 1.048 nan 8.190 nan 0.000 0.482 -1 A N 1.093 123.929 122.820 0.028 0.000 3.076 -1 A HA 0.488 4.808 4.320 0.000 0.000 0.269 -1 A C 0.433 178.031 177.584 0.022 0.000 1.916 -1 A CA 0.674 52.733 52.037 0.038 0.000 1.492 -1 A CB -1.419 17.604 19.000 0.038 0.000 1.000 -1 A HN 1.037 nan 8.150 nan 0.000 0.615 0 M N 0.631 120.237 119.600 0.010 0.000 2.771 0 M HA 0.295 4.775 4.480 0.000 0.000 0.341 0 M C -2.440 173.826 176.300 -0.058 0.000 1.226 0 M CA -1.691 53.599 55.300 -0.018 0.000 0.955 0 M CB -0.287 32.301 32.600 -0.019 0.000 1.318 0 M HN 0.224 nan 8.290 nan 0.000 0.514 1 P HA 0.358 nan 4.420 nan 0.000 0.286 1 P C -0.509 176.674 177.300 -0.195 0.000 1.261 1 P CA -0.437 62.535 63.100 -0.213 0.000 0.821 1 P CB 1.797 33.354 31.700 -0.238 0.000 1.013 2 V N 3.038 122.791 119.914 -0.267 0.000 2.409 2 V HA -0.017 4.103 4.120 0.000 0.000 0.270 2 V C 0.659 176.664 176.094 -0.149 0.000 1.019 2 V CA 0.089 62.283 62.300 -0.177 0.000 1.066 2 V CB 0.392 32.111 31.823 -0.173 0.000 1.021 2 V HN 0.257 nan 8.190 nan 0.000 0.476 3 V N 7.808 127.696 119.914 -0.044 0.000 2.304 3 V HA 0.264 4.384 4.120 0.000 0.000 0.262 3 V C 0.968 177.081 176.094 0.033 0.000 1.061 3 V CA 0.018 62.338 62.300 0.035 0.000 0.872 3 V CB 0.704 32.571 31.823 0.073 0.000 1.077 3 V HN 0.745 nan 8.190 nan 0.000 0.480 4 I N 2.627 123.221 120.570 0.039 0.000 2.188 4 I HA -0.005 4.165 4.170 0.000 0.000 0.237 4 I C 1.156 177.303 176.117 0.050 0.000 1.073 4 I CA 0.533 61.855 61.300 0.037 0.000 1.359 4 I CB -0.046 37.975 38.000 0.035 0.000 1.083 4 I HN 0.620 nan 8.210 nan 0.000 0.412 5 K N 1.358 121.800 120.400 0.070 0.000 3.241 5 K HA -0.118 4.202 4.320 0.000 0.000 0.270 5 K C -0.564 176.066 176.600 0.050 0.000 1.118 5 K CA 0.013 56.337 56.287 0.061 0.000 0.792 5 K CB -2.022 30.508 32.500 0.051 0.000 1.283 5 K HN 0.280 nan 8.250 nan 0.000 0.480 6 T N 1.650 116.237 114.554 0.056 0.000 2.779 6 T HA 0.220 4.570 4.350 0.000 0.000 0.296 6 T C 0.223 174.954 174.700 0.051 0.000 0.938 6 T CA 0.078 62.209 62.100 0.053 0.000 1.119 6 T CB 0.779 69.683 68.868 0.059 0.000 0.891 6 T HN 0.232 nan 8.240 nan 0.000 0.526 7 E N 1.072 121.296 120.200 0.042 0.000 2.459 7 E HA 0.630 4.981 4.350 0.000 0.000 0.275 7 E C -0.106 176.505 176.600 0.019 0.000 0.987 7 E CA -1.500 54.918 56.400 0.030 0.000 0.828 7 E CB 1.472 31.184 29.700 0.020 0.000 1.428 7 E HN 0.735 nan 8.360 nan 0.000 0.457 8 G N 2.197 110.994 108.800 -0.005 0.000 2.547 8 G HA2 -0.146 3.814 3.960 0.000 0.000 0.226 8 G HA3 -0.146 3.814 3.960 0.000 0.000 0.226 8 G C -2.556 172.310 174.900 -0.056 0.000 0.871 8 G CA -0.936 44.143 45.100 -0.035 0.000 1.142 8 G HN 0.193 nan 8.290 nan 0.000 0.362 9 P HA 0.473 nan 4.420 nan 0.000 0.269 9 P C 0.877 177.972 177.300 -0.343 0.000 1.252 9 P CA 0.519 63.439 63.100 -0.300 0.000 0.780 9 P CB 1.150 32.483 31.700 -0.613 0.000 0.829 10 A N 4.155 126.895 122.820 -0.133 0.000 2.208 10 A HA 0.068 4.388 4.320 0.000 0.000 0.209 10 A C 0.582 178.165 177.584 -0.002 0.000 1.161 10 A CA -0.073 51.940 52.037 -0.040 0.000 0.782 10 A CB -0.428 18.616 19.000 0.072 0.000 0.816 10 A HN 0.648 nan 8.150 nan 0.000 0.477 11 W N -1.339 119.981 121.300 0.034 0.000 2.390 11 W HA 0.688 5.348 4.660 -0.000 0.000 0.362 11 W C -1.166 175.368 176.519 0.025 0.000 1.206 11 W CA -0.588 56.778 57.345 0.035 0.000 1.355 11 W CB -0.136 29.350 29.460 0.044 0.000 1.278 11 W HN -0.086 nan 8.180 nan 0.000 0.653 12 T N 3.309 117.997 114.554 0.224 0.000 2.861 12 T HA 0.387 4.737 4.350 0.000 0.000 0.287 12 T C -2.438 172.422 174.700 0.267 0.000 1.003 12 T CA -1.140 61.008 62.100 0.080 0.000 0.977 12 T CB 2.176 71.063 68.868 0.031 0.000 0.996 12 T HN 0.133 nan 8.240 nan 0.000 0.448 13 P HA 0.459 nan 4.420 nan 0.000 0.286 13 P C -0.862 176.508 177.300 0.117 0.000 1.261 13 P CA -0.644 62.612 63.100 0.259 0.000 0.821 13 P CB 1.093 32.962 31.700 0.281 0.000 1.013 14 L N 1.537 122.811 121.223 0.085 0.000 2.357 14 L HA 0.341 4.681 4.340 0.000 0.000 0.273 14 L C 1.060 177.943 176.870 0.021 0.000 1.080 14 L CA -0.594 54.264 54.840 0.030 0.000 0.803 14 L CB 0.580 42.638 42.059 -0.001 0.000 1.174 14 L HN 0.341 nan 8.230 nan 0.000 0.443 15 E N 3.521 123.723 120.200 0.003 0.000 2.167 15 E HA 0.188 4.538 4.350 0.000 0.000 0.284 15 E C -1.971 174.623 176.600 -0.011 0.000 1.016 15 E CA -1.974 54.426 56.400 -0.000 0.000 0.817 15 E CB 1.774 31.471 29.700 -0.005 0.000 1.080 15 E HN 0.281 nan 8.360 nan 0.000 0.397 16 P HA -0.226 nan 4.420 nan 0.000 0.217 16 P C 0.804 178.090 177.300 -0.023 0.000 1.162 16 P CA 1.946 65.035 63.100 -0.017 0.000 0.901 16 P CB 0.276 31.970 31.700 -0.011 0.000 0.793 17 K N -0.870 119.519 120.400 -0.019 0.000 2.063 17 K HA -0.132 4.188 4.320 0.000 0.000 0.208 17 K C 2.136 178.720 176.600 -0.026 0.000 1.048 17 K CA 1.081 57.356 56.287 -0.020 0.000 0.928 17 K CB -0.833 31.658 32.500 -0.016 0.000 0.713 17 K HN 0.125 nan 8.250 nan 0.000 0.442 18 L N 0.935 122.142 121.223 -0.027 0.000 2.191 18 L HA -0.160 4.180 4.340 0.000 0.000 0.212 18 L C 2.046 178.889 176.870 -0.045 0.000 1.103 18 L CA 1.038 55.858 54.840 -0.033 0.000 0.769 18 L CB -0.065 41.975 42.059 -0.031 0.000 0.908 18 L HN 0.252 nan 8.230 nan 0.000 0.438 19 I N -0.783 119.758 120.570 -0.048 0.000 2.353 19 I HA -0.257 3.913 4.170 0.000 0.000 0.248 19 I C 2.617 178.697 176.117 -0.061 0.000 1.119 19 I CA 1.520 62.781 61.300 -0.065 0.000 1.417 19 I CB -0.384 37.575 38.000 -0.068 0.000 1.078 19 I HN 0.404 nan 8.210 nan 0.000 0.421 20 T N 0.215 114.740 114.554 -0.047 0.000 2.708 20 T HA -0.237 4.113 4.350 0.000 0.000 0.266 20 T C 2.007 176.684 174.700 -0.039 0.000 1.037 20 T CA 1.374 63.449 62.100 -0.042 0.000 1.146 20 T CB -0.600 68.249 68.868 -0.032 0.000 0.865 20 T HN 0.431 nan 8.240 nan 0.000 0.435 21 R N 0.788 121.267 120.500 -0.035 0.000 2.152 21 R HA 0.061 4.401 4.340 0.000 0.000 0.232 21 R C 2.428 178.707 176.300 -0.036 0.000 1.117 21 R CA 1.290 57.372 56.100 -0.031 0.000 0.981 21 R CB -0.827 29.457 30.300 -0.027 0.000 0.870 21 R HN 0.416 nan 8.270 nan 0.000 0.451 22 L N 1.110 122.304 121.223 -0.049 0.000 2.109 22 L HA 0.093 4.433 4.340 0.000 0.000 0.207 22 L C 2.431 179.270 176.870 -0.052 0.000 1.086 22 L CA 1.783 56.588 54.840 -0.058 0.000 0.760 22 L CB -0.677 41.329 42.059 -0.088 0.000 0.910 22 L HN 0.269 nan 8.230 nan 0.000 0.437 23 A N -0.611 122.176 122.820 -0.054 0.000 1.858 23 A HA -0.223 4.097 4.320 0.000 0.000 0.216 23 A C 2.052 179.618 177.584 -0.031 0.000 1.190 23 A CA 1.876 53.884 52.037 -0.047 0.000 0.617 23 A CB -0.934 18.035 19.000 -0.052 0.000 0.827 23 A HN 0.522 nan 8.150 nan 0.000 0.443 24 D N -0.483 119.901 120.400 -0.028 0.000 2.106 24 D HA -0.127 4.513 4.640 0.000 0.000 0.191 24 D C 2.071 178.363 176.300 -0.014 0.000 0.997 24 D CA 2.068 56.057 54.000 -0.019 0.000 0.834 24 D CB -0.690 40.099 40.800 -0.018 0.000 0.956 24 D HN 0.418 nan 8.370 nan 0.000 0.448 25 T N 0.662 115.207 114.554 -0.015 0.000 2.746 25 T HA -0.098 4.252 4.350 0.000 0.000 0.267 25 T C 2.239 176.940 174.700 0.002 0.000 1.039 25 T CA 0.768 62.864 62.100 -0.007 0.000 1.142 25 T CB -0.325 68.537 68.868 -0.010 0.000 0.866 25 T HN -0.021 nan 8.240 nan 0.000 0.444 26 V N 1.152 121.066 119.914 0.001 0.000 2.515 26 V HA -0.134 3.986 4.120 0.000 0.000 0.250 26 V C 2.563 178.664 176.094 0.011 0.000 1.058 26 V CA 1.445 63.755 62.300 0.017 0.000 1.064 26 V CB -0.557 31.278 31.823 0.019 0.000 0.675 26 V HN 0.363 nan 8.190 nan 0.000 0.461 27 R N 0.401 120.900 120.500 -0.000 0.000 2.107 27 R HA -0.135 4.205 4.340 0.000 0.000 0.223 27 R C 2.550 178.851 176.300 0.001 0.000 1.138 27 R CA 2.304 58.403 56.100 -0.002 0.000 0.900 27 R CB -1.097 29.199 30.300 -0.008 0.000 0.814 27 R HN 0.700 nan 8.270 nan 0.000 0.437 28 T N 0.974 115.527 114.554 -0.001 0.000 2.413 28 T HA -0.186 4.164 4.350 0.000 0.000 0.244 28 T C 1.674 176.376 174.700 0.004 0.000 1.300 28 T CA 1.024 63.125 62.100 0.001 0.000 1.251 28 T CB -0.483 68.384 68.868 -0.001 0.000 0.865 28 T HN 0.066 nan 8.240 nan 0.000 0.395 29 K N 2.500 122.903 120.400 0.006 0.000 2.448 29 K HA 0.045 4.366 4.320 0.000 0.000 0.200 29 K C 1.582 178.190 176.600 0.013 0.000 1.045 29 K CA 1.061 57.354 56.287 0.009 0.000 0.933 29 K CB -1.433 31.074 32.500 0.011 0.000 0.755 29 K HN 0.939 nan 8.250 nan 0.000 0.481 30 G N -0.174 108.634 108.800 0.014 0.000 2.472 30 G HA2 -0.213 3.747 3.960 0.000 0.000 0.205 30 G HA3 -0.213 3.747 3.960 0.000 0.000 0.205 30 G C -0.061 174.855 174.900 0.026 0.000 1.270 30 G CA -0.148 44.961 45.100 0.015 0.000 0.974 30 G HN 0.123 nan 8.290 nan 0.000 0.542 31 L N -0.915 120.321 121.223 0.022 0.000 2.746 31 L HA 0.412 4.752 4.340 0.000 0.000 0.230 31 L C 2.415 179.290 176.870 0.008 0.000 1.034 31 L CA 1.037 55.896 54.840 0.032 0.000 0.922 31 L CB -0.418 41.647 42.059 0.011 0.000 1.496 31 L HN 0.695 nan 8.230 nan 0.000 0.498 32 R N 0.369 120.863 120.500 -0.010 0.000 2.316 32 R HA 0.027 4.367 4.340 0.000 0.000 0.202 32 R C 0.929 177.232 176.300 0.005 0.000 1.029 32 R CA 0.146 56.234 56.100 -0.020 0.000 1.018 32 R CB 0.041 30.330 30.300 -0.019 0.000 0.888 32 R HN 0.233 nan 8.270 nan 0.000 0.471 33 S N 1.109 116.820 115.700 0.019 0.000 2.552 33 S HA 0.041 4.511 4.470 0.000 0.000 0.289 33 S C -1.656 172.967 174.600 0.039 0.000 1.304 33 S CA -1.304 56.912 58.200 0.026 0.000 1.063 33 S CB 0.969 64.185 63.200 0.027 0.000 0.848 33 S HN -0.064 nan 8.310 nan 0.000 0.499 34 P HA 0.015 nan 4.420 nan 0.000 0.221 34 P C 1.204 178.529 177.300 0.041 0.000 1.150 34 P CA 0.878 64.001 63.100 0.038 0.000 0.800 34 P CB 0.042 31.757 31.700 0.026 0.000 0.787 35 I N -1.283 119.306 120.570 0.032 0.000 2.226 35 I HA -0.239 3.931 4.170 0.000 0.000 0.245 35 I C 2.058 178.196 176.117 0.034 0.000 1.100 35 I CA 1.606 62.922 61.300 0.026 0.000 1.374 35 I CB -1.230 36.780 38.000 0.018 0.000 1.057 35 I HN -0.005 nan 8.210 nan 0.000 0.413 36 T N 0.738 115.323 114.554 0.052 0.000 2.674 36 T HA -0.239 4.111 4.350 0.000 0.000 0.265 36 T C 1.866 176.629 174.700 0.105 0.000 1.039 36 T CA 1.730 63.874 62.100 0.074 0.000 1.150 36 T CB -0.254 68.680 68.868 0.110 0.000 0.864 36 T HN 0.183 nan 8.240 nan 0.000 0.427 37 M N 1.623 121.314 119.600 0.150 0.000 2.106 37 M HA -0.043 4.437 4.480 0.000 0.000 0.259 37 M C 2.275 178.629 176.300 0.090 0.000 1.068 37 M CA 1.676 57.091 55.300 0.192 0.000 1.100 37 M CB -0.820 31.873 32.600 0.156 0.000 1.351 37 M HN 0.234 nan 8.290 nan 0.000 0.404 38 A N -0.815 122.038 122.820 0.055 0.000 1.865 38 A HA -0.229 4.091 4.320 0.000 0.000 0.217 38 A C 2.184 179.769 177.584 0.001 0.000 1.191 38 A CA 2.075 54.128 52.037 0.027 0.000 0.623 38 A CB -1.017 17.996 19.000 0.021 0.000 0.826 38 A HN 0.659 nan 8.150 nan 0.000 0.444 39 E N -0.548 119.648 120.200 -0.008 0.000 2.150 39 E HA -0.093 4.257 4.350 0.000 0.000 0.193 39 E C 1.917 178.470 176.600 -0.078 0.000 0.985 39 E CA 1.113 57.492 56.400 -0.035 0.000 0.814 39 E CB -0.039 29.643 29.700 -0.031 0.000 0.752 39 E HN 0.396 nan 8.360 nan 0.000 0.466 40 V N 0.906 120.752 119.914 -0.114 0.000 2.302 40 V HA -0.197 3.923 4.120 0.000 0.000 0.243 40 V C 2.099 178.087 176.094 -0.176 0.000 1.036 40 V CA 1.527 63.679 62.300 -0.246 0.000 1.020 40 V CB -0.434 31.062 31.823 -0.545 0.000 0.657 40 V HN 0.240 nan 8.190 nan 0.000 0.453 41 E N 0.340 120.487 120.200 -0.089 0.000 2.068 41 E HA -0.347 4.003 4.350 0.000 0.000 0.207 41 E C 2.320 178.898 176.600 -0.037 0.000 1.032 41 E CA 1.841 58.221 56.400 -0.033 0.000 0.839 41 E CB -0.364 29.344 29.700 0.013 0.000 0.758 41 E HN 0.567 nan 8.360 nan 0.000 0.457 42 A N 1.001 123.801 122.820 -0.033 0.000 1.892 42 A HA -0.207 4.113 4.320 0.000 0.000 0.218 42 A C 2.134 179.695 177.584 -0.039 0.000 1.188 42 A CA 1.458 53.478 52.037 -0.028 0.000 0.631 42 A CB -0.643 18.342 19.000 -0.024 0.000 0.822 42 A HN 0.273 nan 8.150 nan 0.000 0.447 43 L N -1.057 120.128 121.223 -0.064 0.000 2.362 43 L HA 0.097 4.438 4.340 0.000 0.000 0.219 43 L C 1.490 178.319 176.870 -0.069 0.000 1.134 43 L CA 1.355 56.152 54.840 -0.071 0.000 0.807 43 L CB -0.327 41.670 42.059 -0.103 0.000 0.927 43 L HN 0.433 nan 8.230 nan 0.000 0.447 44 M N -1.511 118.047 119.600 -0.070 0.000 2.959 44 M HA 0.161 4.641 4.480 0.000 0.000 0.337 44 M C 1.099 177.395 176.300 -0.008 0.000 1.220 44 M CA 0.052 55.322 55.300 -0.049 0.000 0.893 44 M CB 0.271 32.819 32.600 -0.086 0.000 1.322 44 M HN 0.253 nan 8.290 nan 0.000 0.519 45 S N -2.033 113.665 115.700 -0.002 0.000 2.502 45 S HA 0.214 4.684 4.470 0.000 0.000 0.215 45 S C 0.713 175.327 174.600 0.022 0.000 1.009 45 S CA -0.375 57.833 58.200 0.012 0.000 0.908 45 S CB 0.299 63.502 63.200 0.005 0.000 0.801 45 S HN 0.272 nan 8.310 nan 0.000 0.505 46 S N 3.128 118.841 115.700 0.023 0.000 2.549 46 S HA 0.602 5.072 4.470 0.000 0.000 0.297 46 S C -2.841 171.797 174.600 0.064 0.000 1.115 46 S CA -1.238 56.983 58.200 0.035 0.000 1.059 46 S CB 1.265 64.478 63.200 0.022 0.000 1.046 46 S HN 0.110 nan 8.310 nan 0.000 0.506 47 P HA 0.251 nan 4.420 nan 0.000 0.266 47 P C -1.075 176.334 177.300 0.181 0.000 1.195 47 P CA 0.142 63.322 63.100 0.134 0.000 0.768 47 P CB 0.359 32.146 31.700 0.144 0.000 0.838 48 L N 2.335 123.665 121.223 0.177 0.000 2.333 48 L HA 0.475 4.815 4.340 0.000 0.000 0.263 48 L C -0.007 176.962 176.870 0.165 0.000 1.014 48 L CA -1.183 53.764 54.840 0.178 0.000 0.820 48 L CB 1.479 43.593 42.059 0.093 0.000 1.352 48 L HN 0.156 nan 8.230 nan 0.000 0.421 49 L N 1.770 123.057 121.223 0.107 0.000 2.418 49 L HA 0.236 4.576 4.340 0.000 0.000 0.265 49 L C -1.508 175.422 176.870 0.100 0.000 1.143 49 L CA -1.495 53.367 54.840 0.037 0.000 0.809 49 L CB 0.663 42.634 42.059 -0.145 0.000 1.124 49 L HN 0.364 nan 8.230 nan 0.000 0.456 50 P HA -0.221 nan 4.420 nan 0.000 0.216 50 P C 1.331 178.740 177.300 0.182 0.000 1.150 50 P CA 1.374 64.628 63.100 0.257 0.000 0.843 50 P CB 0.106 31.986 31.700 0.300 0.000 0.787 51 H N -0.399 118.699 119.070 0.046 0.000 2.353 51 H HA -0.126 4.430 4.556 0.000 0.000 0.300 51 H C 1.530 176.848 175.328 -0.016 0.000 1.090 51 H CA 1.961 58.017 56.048 0.013 0.000 1.327 51 H CB -0.546 29.193 29.762 -0.038 0.000 1.383 51 H HN -0.007 nan 8.280 nan 0.000 0.508 52 D N -0.390 119.992 120.400 -0.030 0.000 2.103 52 D HA -0.140 4.500 4.640 0.000 0.000 0.199 52 D C 2.532 178.740 176.300 -0.152 0.000 0.978 52 D CA 1.755 55.698 54.000 -0.094 0.000 0.829 52 D CB -0.649 40.150 40.800 -0.002 0.000 0.981 52 D HN 0.414 nan 8.370 nan 0.000 0.464 53 V N -0.699 119.143 119.914 -0.120 0.000 2.233 53 V HA -0.259 3.861 4.120 0.000 0.000 0.247 53 V C 2.214 178.108 176.094 -0.334 0.000 1.050 53 V CA 2.288 64.451 62.300 -0.227 0.000 1.010 53 V CB -1.468 30.232 31.823 -0.205 0.000 0.637 53 V HN 0.045 nan 8.190 nan 0.000 0.444 54 T N 1.041 115.481 114.554 -0.190 0.000 2.597 54 T HA -0.247 4.103 4.350 0.000 0.000 0.267 54 T C 1.928 176.494 174.700 -0.223 0.000 1.053 54 T CA 2.517 64.582 62.100 -0.059 0.000 1.165 54 T CB -0.628 68.296 68.868 0.094 0.000 0.863 54 T HN 0.601 nan 8.240 nan 0.000 0.427 55 N N 0.866 119.385 118.700 -0.301 0.000 2.120 55 N HA -0.028 4.712 4.740 0.000 0.000 0.188 55 N C 1.763 177.082 175.510 -0.318 0.000 1.024 55 N CA 0.650 53.501 53.050 -0.333 0.000 0.852 55 N CB -0.667 37.600 38.487 -0.367 0.000 1.003 55 N HN 0.236 nan 8.380 nan 0.000 0.424 56 L N 0.891 121.930 121.223 -0.307 0.000 1.990 56 L HA -0.124 4.216 4.340 0.000 0.000 0.213 56 L C 2.055 178.706 176.870 -0.365 0.000 1.072 56 L CA 1.642 56.301 54.840 -0.300 0.000 0.755 56 L CB -0.541 41.340 42.059 -0.296 0.000 0.889 56 L HN 0.074 nan 8.230 nan 0.000 0.432 57 M N -0.863 118.438 119.600 -0.498 0.000 2.117 57 M HA -0.191 4.289 4.480 0.000 0.000 0.262 57 M C 2.465 178.519 176.300 -0.410 0.000 1.065 57 M CA 1.512 56.486 55.300 -0.543 0.000 1.114 57 M CB -1.358 30.614 32.600 -1.046 0.000 1.361 57 M HN 0.332 nan 8.290 nan 0.000 0.408 58 R N 0.175 120.314 120.500 -0.603 0.000 2.170 58 R HA -0.129 4.211 4.340 0.000 0.000 0.242 58 R C 1.882 177.946 176.300 -0.394 0.000 1.145 58 R CA 1.279 56.903 56.100 -0.793 0.000 0.984 58 R CB 0.010 29.832 30.300 -0.796 0.000 0.869 58 R HN 0.260 nan 8.270 nan 0.000 0.455 59 V N 1.176 120.912 119.914 -0.297 0.000 2.446 59 V HA -0.174 3.946 4.120 0.000 0.000 0.244 59 V C 2.208 178.217 176.094 -0.142 0.000 1.039 59 V CA 1.658 63.842 62.300 -0.194 0.000 1.045 59 V CB -0.358 31.362 31.823 -0.172 0.000 0.681 59 V HN 0.411 nan 8.190 nan 0.000 0.459 60 I N -1.799 118.683 120.570 -0.148 0.000 2.333 60 I HA -0.071 4.099 4.170 0.000 0.000 0.246 60 I C 2.272 178.378 176.117 -0.019 0.000 1.106 60 I CA 1.532 62.783 61.300 -0.081 0.000 1.411 60 I CB -0.484 37.458 38.000 -0.096 0.000 1.082 60 I HN 0.131 nan 8.210 nan 0.000 0.420 61 L N 1.647 122.861 121.223 -0.016 0.000 2.156 61 L HA 0.193 4.533 4.340 0.000 0.000 0.208 61 L C 1.282 178.183 176.870 0.051 0.000 1.095 61 L CA 0.921 55.796 54.840 0.058 0.000 0.770 61 L CB -1.173 40.962 42.059 0.126 0.000 0.914 61 L HN 0.662 nan 8.230 nan 0.000 0.439 62 G N -1.012 107.789 108.800 0.003 0.000 2.712 62 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 62 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 62 G C -2.153 172.788 174.900 0.068 0.000 1.321 62 G CA -0.515 44.591 45.100 0.010 0.000 0.813 62 G HN -0.017 nan 8.290 nan 0.000 0.599 63 P HA -0.182 nan 4.420 nan 0.000 0.216 63 P C 2.358 179.753 177.300 0.158 0.000 1.167 63 P CA 3.434 66.597 63.100 0.106 0.000 0.914 63 P CB -0.029 31.707 31.700 0.061 0.000 0.793 64 A N -0.421 122.464 122.820 0.109 0.000 1.841 64 A HA -0.137 4.183 4.320 0.000 0.000 0.216 64 A C 0.027 177.682 177.584 0.119 0.000 1.199 64 A CA 2.507 54.602 52.037 0.098 0.000 0.621 64 A CB -2.417 16.621 19.000 0.063 0.000 0.835 64 A HN 0.222 nan 8.150 nan 0.000 0.445 65 P HA -0.144 nan 4.420 nan 0.000 0.218 65 P C 1.406 178.840 177.300 0.222 0.000 1.149 65 P CA 1.080 64.260 63.100 0.133 0.000 0.817 65 P CB -0.217 31.543 31.700 0.101 0.000 0.785 66 Y N 1.507 121.885 120.300 0.130 0.000 2.181 66 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 66 Y C 2.314 178.381 175.900 0.280 0.000 1.179 66 Y CA 1.463 59.687 58.100 0.207 0.000 1.179 66 Y CB -1.191 37.343 38.460 0.124 0.000 0.973 66 Y HN -0.079 nan 8.280 nan 0.000 0.519 67 A N -0.175 122.694 122.820 0.082 0.000 1.858 67 A HA -0.170 4.150 4.320 0.000 0.000 0.216 67 A C 2.166 179.739 177.584 -0.019 0.000 1.190 67 A CA 1.880 53.901 52.037 -0.026 0.000 0.617 67 A CB -1.184 17.840 19.000 0.040 0.000 0.827 67 A HN 0.436 nan 8.150 nan 0.000 0.443 68 L N -2.042 119.210 121.223 0.048 0.000 1.990 68 L HA -0.213 4.127 4.340 0.000 0.000 0.213 68 L C 2.290 179.190 176.870 0.049 0.000 1.072 68 L CA 2.216 57.081 54.840 0.042 0.000 0.755 68 L CB -1.208 40.888 42.059 0.062 0.000 0.889 68 L HN 0.751 nan 8.230 nan 0.000 0.432 69 W N -0.377 120.903 121.300 -0.034 0.000 2.317 69 W HA -0.305 4.355 4.660 0.000 0.000 0.318 69 W C 2.582 179.109 176.519 0.013 0.000 1.227 69 W CA 1.812 59.156 57.345 -0.001 0.000 1.269 69 W CB -0.254 29.219 29.460 0.023 0.000 1.155 69 W HN 0.075 nan 8.180 nan 0.000 0.484 70 M N 0.528 119.953 119.600 -0.292 0.000 2.088 70 M HA -0.265 4.215 4.480 0.000 0.000 0.256 70 M C 1.632 177.747 176.300 -0.308 0.000 1.071 70 M CA 2.453 57.495 55.300 -0.430 0.000 1.097 70 M CB -1.695 30.722 32.600 -0.306 0.000 1.315 70 M HN 0.007 nan 8.290 nan 0.000 0.406 71 D N 0.120 120.401 120.400 -0.198 0.000 2.087 71 D HA -0.088 4.552 4.640 0.000 0.000 0.192 71 D C 1.969 178.175 176.300 -0.157 0.000 0.993 71 D CA 1.970 55.882 54.000 -0.145 0.000 0.828 71 D CB -0.210 40.538 40.800 -0.087 0.000 0.968 71 D HN 0.370 nan 8.370 nan 0.000 0.448 72 A N -0.046 122.688 122.820 -0.143 0.000 1.908 72 A HA -0.200 4.120 4.320 0.000 0.000 0.218 72 A C 2.097 179.607 177.584 -0.123 0.000 1.181 72 A CA 1.639 53.615 52.037 -0.102 0.000 0.627 72 A CB -1.310 17.666 19.000 -0.041 0.000 0.818 72 A HN 0.470 nan 8.150 nan 0.000 0.445 73 W N 0.876 121.841 121.300 -0.559 0.000 2.363 73 W HA -0.067 4.593 4.660 0.000 0.000 0.296 73 W C 2.196 178.502 176.519 -0.355 0.000 1.212 73 W CA 1.534 58.526 57.345 -0.589 0.000 1.260 73 W CB -0.738 27.981 29.460 -1.235 0.000 1.131 73 W HN 0.238 nan 8.180 nan 0.000 0.530 74 G N 0.075 108.647 108.800 -0.381 0.000 2.402 74 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 74 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 74 G C 1.444 176.166 174.900 -0.297 0.000 1.162 74 G CA 1.836 46.677 45.100 -0.432 0.000 0.777 74 G HN 0.202 nan 8.290 nan 0.000 0.539 75 V N 0.613 120.410 119.914 -0.194 0.000 2.255 75 V HA -0.235 3.885 4.120 0.000 0.000 0.247 75 V C 2.954 178.977 176.094 -0.118 0.000 1.051 75 V CA 1.936 64.159 62.300 -0.129 0.000 1.018 75 V CB -0.672 31.101 31.823 -0.084 0.000 0.641 75 V HN 0.254 nan 8.190 nan 0.000 0.445 76 Q N -0.222 119.520 119.800 -0.098 0.000 2.112 76 Q HA -0.178 4.162 4.340 0.000 0.000 0.206 76 Q C 2.296 178.238 176.000 -0.096 0.000 0.987 76 Q CA 1.776 57.550 55.803 -0.047 0.000 0.858 76 Q CB -0.590 28.175 28.738 0.044 0.000 0.905 76 Q HN 0.596 nan 8.270 nan 0.000 0.420 77 L N 0.459 121.545 121.223 -0.229 0.000 2.083 77 L HA -0.223 4.117 4.340 0.000 0.000 0.209 77 L C 2.577 179.328 176.870 -0.198 0.000 1.083 77 L CA 1.098 55.773 54.840 -0.274 0.000 0.752 77 L CB -0.373 41.364 42.059 -0.537 0.000 0.899 77 L HN 0.297 nan 8.230 nan 0.000 0.433 78 Q N -0.696 118.992 119.800 -0.186 0.000 2.135 78 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 78 Q C 2.242 178.183 176.000 -0.098 0.000 0.981 78 Q CA 2.177 57.897 55.803 -0.138 0.000 0.856 78 Q CB -0.280 28.385 28.738 -0.122 0.000 0.902 78 Q HN 0.599 nan 8.270 nan 0.000 0.425 79 T N -1.898 112.611 114.554 -0.076 0.000 3.007 79 T HA -0.033 4.317 4.350 0.000 0.000 0.270 79 T C 1.741 176.417 174.700 -0.041 0.000 1.107 79 T CA 0.909 62.983 62.100 -0.044 0.000 1.118 79 T CB -0.065 68.792 68.868 -0.019 0.000 0.889 79 T HN 0.055 nan 8.240 nan 0.000 0.506 80 V N 1.482 121.357 119.914 -0.066 0.000 2.591 80 V HA 0.059 4.179 4.120 0.000 0.000 0.249 80 V C 2.556 178.551 176.094 -0.166 0.000 1.053 80 V CA 0.664 62.911 62.300 -0.087 0.000 1.068 80 V CB -0.501 31.271 31.823 -0.084 0.000 0.689 80 V HN 0.463 nan 8.190 nan 0.000 0.462 81 I N 0.882 121.368 120.570 -0.140 0.000 2.916 81 I HA -0.099 4.071 4.170 0.000 0.000 0.267 81 I C 2.371 178.424 176.117 -0.106 0.000 1.263 81 I CA 1.456 62.674 61.300 -0.137 0.000 1.471 81 I CB -1.587 36.343 38.000 -0.117 0.000 1.089 81 I HN 0.314 nan 8.210 nan 0.000 0.468 82 A N 1.113 123.885 122.820 -0.080 0.000 1.844 82 A HA 0.133 4.453 4.320 0.000 0.000 0.212 82 A C 2.504 180.073 177.584 -0.025 0.000 1.221 82 A CA 1.135 53.146 52.037 -0.044 0.000 0.607 82 A CB -0.877 18.107 19.000 -0.027 0.000 0.878 82 A HN 0.318 nan 8.150 nan 0.000 0.451 83 A N -0.258 122.563 122.820 0.002 0.000 2.131 83 A HA 0.178 4.498 4.320 0.000 0.000 0.220 83 A C 2.246 179.881 177.584 0.086 0.000 1.158 83 A CA 1.962 54.063 52.037 0.107 0.000 0.665 83 A CB -0.717 18.425 19.000 0.237 0.000 0.795 83 A HN 0.974 nan 8.150 nan 0.000 0.460 84 A N -1.360 121.360 122.820 -0.168 0.000 1.903 84 A HA 0.053 4.373 4.320 0.000 0.000 0.213 84 A C 2.272 179.815 177.584 -0.068 0.000 1.185 84 A CA 1.934 53.822 52.037 -0.249 0.000 0.628 84 A CB -0.755 18.053 19.000 -0.321 0.000 0.830 84 A HN 0.394 nan 8.150 nan 0.000 0.446 85 T N -0.328 114.194 114.554 -0.053 0.000 2.770 85 T HA -0.052 4.298 4.350 0.000 0.000 0.258 85 T C 2.075 176.775 174.700 0.000 0.000 1.039 85 T CA 0.929 63.014 62.100 -0.025 0.000 1.143 85 T CB -0.209 68.641 68.868 -0.031 0.000 0.866 85 T HN 0.294 nan 8.240 nan 0.000 0.428 86 R N 1.638 122.144 120.500 0.009 0.000 2.140 86 R HA -0.045 4.295 4.340 0.000 0.000 0.250 86 R C 0.542 176.862 176.300 0.033 0.000 1.150 86 R CA 1.150 57.263 56.100 0.021 0.000 0.966 86 R CB -0.699 29.619 30.300 0.031 0.000 0.869 86 R HN 0.393 nan 8.270 nan 0.000 0.445 87 D N -0.543 119.891 120.400 0.056 0.000 2.593 87 D HA 0.174 4.814 4.640 0.000 0.000 0.251 87 D C -2.066 174.278 176.300 0.073 0.000 1.140 87 D CA -2.467 51.572 54.000 0.065 0.000 0.855 87 D CB 2.075 42.925 40.800 0.083 0.000 1.267 87 D HN -0.130 nan 8.370 nan 0.000 0.532 88 P HA 0.072 nan 4.420 nan 0.000 0.245 88 P C 0.635 177.967 177.300 0.054 0.000 1.212 88 P CA 0.071 63.196 63.100 0.042 0.000 0.774 88 P CB 0.538 32.253 31.700 0.025 0.000 0.999 89 R N -1.252 119.286 120.500 0.063 0.000 2.397 89 R HA 0.111 4.451 4.340 0.000 0.000 0.241 89 R C 0.914 177.257 176.300 0.071 0.000 0.914 89 R CA -0.336 55.795 56.100 0.052 0.000 1.071 89 R CB -0.804 29.512 30.300 0.027 0.000 1.116 89 R HN 0.369 nan 8.270 nan 0.000 0.524 90 H N 2.246 121.321 119.070 0.009 0.000 2.948 90 H HA 0.028 4.584 4.556 -0.000 0.000 0.351 90 H C -1.613 173.725 175.328 0.016 0.000 1.079 90 H CA -1.127 54.928 56.048 0.011 0.000 1.407 90 H CB 1.492 31.259 29.762 0.009 0.000 1.373 90 H HN -0.193 nan 8.280 nan 0.000 0.605 91 P HA -0.053 nan 4.420 nan 0.000 0.222 91 P C 0.815 178.267 177.300 0.254 0.000 1.147 91 P CA 1.616 64.795 63.100 0.130 0.000 0.790 91 P CB 0.104 31.812 31.700 0.014 0.000 0.780 92 A N -1.420 121.696 122.820 0.493 0.000 2.119 92 A HA -0.047 4.273 4.320 0.000 0.000 0.216 92 A C 1.045 178.674 177.584 0.075 0.000 1.152 92 A CA 0.759 52.895 52.037 0.165 0.000 0.708 92 A CB -0.890 18.065 19.000 -0.075 0.000 0.805 92 A HN 0.275 nan 8.150 nan 0.000 0.460 93 N N -1.691 117.069 118.700 0.100 0.000 2.476 93 N HA 0.496 5.236 4.740 0.000 0.000 0.276 93 N C 0.523 176.067 175.510 0.057 0.000 1.204 93 N CA -0.150 52.932 53.050 0.054 0.000 0.974 93 N CB 1.111 39.627 38.487 0.049 0.000 1.204 93 N HN 0.220 nan 8.380 nan 0.000 0.543 94 G N -0.758 108.065 108.800 0.038 0.000 2.890 94 G HA2 0.084 4.044 3.960 0.000 0.000 0.189 94 G HA3 0.084 4.044 3.960 0.000 0.000 0.189 94 G C 0.263 175.181 174.900 0.030 0.000 1.342 94 G CA 0.040 45.161 45.100 0.035 0.000 1.026 94 G HN 0.409 nan 8.290 nan 0.000 0.579 95 Q N -0.353 119.462 119.800 0.024 0.000 2.226 95 Q HA 0.129 4.469 4.340 0.000 0.000 0.199 95 Q C 1.638 177.647 176.000 0.015 0.000 0.945 95 Q CA 0.611 56.426 55.803 0.019 0.000 0.861 95 Q CB -0.689 28.059 28.738 0.017 0.000 0.953 95 Q HN 0.477 nan 8.270 nan 0.000 0.490 96 G N 0.747 109.555 108.800 0.013 0.000 2.699 96 G HA2 0.019 3.979 3.960 0.000 0.000 0.246 96 G HA3 0.019 3.979 3.960 0.000 0.000 0.246 96 G C 0.665 175.570 174.900 0.008 0.000 1.219 96 G CA -0.402 44.704 45.100 0.009 0.000 0.866 96 G HN 0.134 nan 8.290 nan 0.000 0.572 97 R N 0.325 120.828 120.500 0.005 0.000 2.153 97 R HA -0.021 4.320 4.340 0.000 0.000 0.218 97 R C 2.483 178.783 176.300 0.001 0.000 1.072 97 R CA 0.936 57.038 56.100 0.003 0.000 0.990 97 R CB 0.010 30.310 30.300 0.001 0.000 0.889 97 R HN 0.557 nan 8.270 nan 0.000 0.452 98 G N 0.770 109.570 108.800 0.001 0.000 2.662 98 G HA2 -0.112 3.848 3.960 0.000 0.000 0.212 98 G HA3 -0.112 3.848 3.960 0.000 0.000 0.212 98 G C 0.517 175.416 174.900 -0.001 0.000 1.141 98 G CA -0.286 44.813 45.100 -0.002 0.000 0.797 98 G HN 0.240 nan 8.290 nan 0.000 0.531 99 E N 1.163 121.366 120.200 0.004 0.000 3.265 99 E HA 0.042 4.392 4.350 0.000 0.000 0.262 99 E C 0.000 176.604 176.600 0.006 0.000 1.480 99 E CA 0.110 56.515 56.400 0.008 0.000 1.548 99 E CB -0.164 29.544 29.700 0.014 0.000 1.330 99 E HN 0.363 nan 8.360 nan 0.000 0.431 100 R N 0.451 120.949 120.500 -0.004 0.000 2.445 100 R HA 0.245 4.585 4.340 0.000 0.000 0.308 100 R C 0.190 176.474 176.300 -0.028 0.000 0.961 100 R CA -0.526 55.565 56.100 -0.015 0.000 0.862 100 R CB 1.441 31.730 30.300 -0.019 0.000 1.144 100 R HN 0.012 nan 8.270 nan 0.000 0.447 101 T N 2.157 116.687 114.554 -0.042 0.000 2.649 101 T HA 0.011 4.361 4.350 0.000 0.000 0.337 101 T C 0.314 174.975 174.700 -0.065 0.000 1.070 101 T CA -0.029 62.039 62.100 -0.053 0.000 1.052 101 T CB 0.097 68.919 68.868 -0.076 0.000 0.994 101 T HN 0.838 nan 8.240 nan 0.000 0.544 102 N N -1.315 117.343 118.700 -0.070 0.000 2.598 102 N HA 0.240 4.980 4.740 0.000 0.000 0.263 102 N C 0.091 175.541 175.510 -0.099 0.000 1.254 102 N CA -0.851 52.152 53.050 -0.078 0.000 0.863 102 N CB 0.343 38.795 38.487 -0.059 0.000 1.586 102 N HN 0.317 nan 8.380 nan 0.000 0.491 103 L N 0.948 122.099 121.223 -0.120 0.000 2.021 103 L HA -0.164 4.176 4.340 0.000 0.000 0.215 103 L C 1.465 178.244 176.870 -0.151 0.000 1.074 103 L CA 1.955 56.697 54.840 -0.163 0.000 0.760 103 L CB -0.961 41.001 42.059 -0.161 0.000 0.889 103 L HN 0.703 nan 8.230 nan 0.000 0.433 104 N N -0.704 117.936 118.700 -0.100 0.000 2.149 104 N HA -0.185 4.555 4.740 0.000 0.000 0.188 104 N C 1.939 177.421 175.510 -0.046 0.000 1.019 104 N CA 1.349 54.358 53.050 -0.068 0.000 0.857 104 N CB -0.259 38.202 38.487 -0.044 0.000 0.997 104 N HN 0.430 nan 8.380 nan 0.000 0.426 105 R N 0.868 121.342 120.500 -0.044 0.000 2.070 105 R HA 0.012 4.352 4.340 0.000 0.000 0.232 105 R C 2.406 178.701 176.300 -0.007 0.000 1.138 105 R CA 0.914 57.003 56.100 -0.018 0.000 0.936 105 R CB -0.563 29.725 30.300 -0.019 0.000 0.839 105 R HN 0.184 nan 8.270 nan 0.000 0.429 106 L N 0.860 122.056 121.223 -0.045 0.000 2.189 106 L HA -0.224 4.116 4.340 0.000 0.000 0.214 106 L C 1.912 178.769 176.870 -0.021 0.000 1.097 106 L CA 1.478 56.292 54.840 -0.043 0.000 0.764 106 L CB -0.320 41.651 42.059 -0.146 0.000 0.900 106 L HN 0.207 nan 8.230 nan 0.000 0.436 107 K N -0.342 120.012 120.400 -0.076 0.000 2.393 107 K HA 0.174 4.494 4.320 0.000 0.000 0.193 107 K C 1.115 177.819 176.600 0.173 0.000 1.026 107 K CA 0.562 56.856 56.287 0.012 0.000 1.064 107 K CB 0.498 32.925 32.500 -0.121 0.000 0.833 107 K HN 0.331 nan 8.250 nan 0.000 0.521 108 G N 1.870 110.734 108.800 0.108 0.000 2.198 108 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 108 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 108 G C 0.411 175.359 174.900 0.080 0.000 1.042 108 G CA 0.047 45.209 45.100 0.103 0.000 0.791 108 G HN 0.267 nan 8.290 nan 0.000 0.502 109 L N -0.541 120.711 121.223 0.048 0.000 2.701 109 L HA 0.512 4.852 4.340 0.000 0.000 0.238 109 L C 1.983 178.861 176.870 0.014 0.000 1.106 109 L CA 0.326 55.187 54.840 0.034 0.000 0.898 109 L CB 0.027 42.099 42.059 0.021 0.000 1.188 109 L HN 0.469 nan 8.230 nan 0.000 0.508 110 A N 0.530 123.353 122.820 0.006 0.000 2.547 110 A HA -0.079 4.241 4.320 0.000 0.000 0.233 110 A C -0.092 177.493 177.584 0.002 0.000 1.067 110 A CA -0.062 51.974 52.037 -0.002 0.000 0.763 110 A CB -0.120 18.878 19.000 -0.003 0.000 1.007 110 A HN 0.263 nan 8.150 nan 0.000 0.506 111 D N 0.329 120.729 120.400 -0.001 0.000 2.472 111 D HA 0.367 5.007 4.640 0.000 0.000 0.248 111 D C 1.322 177.620 176.300 -0.002 0.000 1.174 111 D CA 2.115 56.115 54.000 -0.001 0.000 0.883 111 D CB 0.056 40.855 40.800 -0.002 0.000 1.149 111 D HN 1.208 nan 8.370 nan 0.000 0.488 112 G N 3.158 111.956 108.800 -0.004 0.000 2.213 112 G HA2 -0.302 3.658 3.960 0.000 0.000 0.236 112 G HA3 -0.302 3.658 3.960 0.000 0.000 0.236 112 G C 1.011 175.902 174.900 -0.016 0.000 0.991 112 G CA 0.543 45.637 45.100 -0.009 0.000 0.629 112 G HN 0.524 nan 8.290 nan 0.000 0.517 113 M N 0.547 120.141 119.600 -0.009 0.000 2.657 113 M HA 0.214 4.694 4.480 0.000 0.000 0.262 113 M C 1.480 177.779 176.300 -0.001 0.000 1.213 113 M CA 0.808 56.101 55.300 -0.010 0.000 1.182 113 M CB 0.370 32.974 32.600 0.006 0.000 1.303 113 M HN 0.343 nan 8.290 nan 0.000 0.501 114 V N 1.446 121.368 119.914 0.013 0.000 2.555 114 V HA 0.151 4.271 4.120 0.000 0.000 0.299 114 V C 1.175 177.274 176.094 0.009 0.000 1.012 114 V CA 0.465 62.781 62.300 0.027 0.000 1.180 114 V CB -1.587 30.251 31.823 0.024 0.000 0.887 114 V HN 0.832 nan 8.190 nan 0.000 0.476 115 G N 3.303 112.116 108.800 0.023 0.000 2.233 115 G HA2 -0.339 3.621 3.960 0.000 0.000 0.270 115 G HA3 -0.339 3.621 3.960 0.000 0.000 0.270 115 G C 0.229 175.069 174.900 -0.099 0.000 1.011 115 G CA 0.622 45.714 45.100 -0.014 0.000 0.762 115 G HN 1.304 nan 8.290 nan 0.000 0.511 116 N N -0.048 118.582 118.700 -0.115 0.000 2.790 116 N HA 0.363 5.103 4.740 0.000 0.000 0.256 116 N C -0.684 174.712 175.510 -0.191 0.000 1.409 116 N CA -1.795 51.171 53.050 -0.140 0.000 0.799 116 N CB 1.396 39.837 38.487 -0.077 0.000 1.170 116 N HN 0.067 nan 8.380 nan 0.000 0.507 117 P HA -0.214 nan 4.420 nan 0.000 0.218 117 P C 1.096 178.225 177.300 -0.285 0.000 1.148 117 P CA 1.123 64.025 63.100 -0.331 0.000 0.822 117 P CB 0.602 32.020 31.700 -0.470 0.000 0.784 118 Q N 0.845 120.516 119.800 -0.215 0.000 2.084 118 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 118 Q C 2.368 178.299 176.000 -0.116 0.000 0.978 118 Q CA 2.418 58.133 55.803 -0.147 0.000 0.844 118 Q CB -1.479 27.206 28.738 -0.088 0.000 0.898 118 Q HN 0.192 nan 8.270 nan 0.000 0.426 119 G N -0.085 108.654 108.800 -0.102 0.000 2.418 119 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 119 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 119 G C 1.285 176.142 174.900 -0.073 0.000 1.158 119 G CA 0.788 45.848 45.100 -0.066 0.000 0.771 119 G HN 0.472 nan 8.290 nan 0.000 0.545 120 Q N 0.235 119.969 119.800 -0.110 0.000 2.084 120 Q HA -0.002 4.338 4.340 0.000 0.000 0.202 120 Q C 2.973 178.882 176.000 -0.150 0.000 0.978 120 Q CA 1.281 57.019 55.803 -0.108 0.000 0.844 120 Q CB -0.287 28.381 28.738 -0.116 0.000 0.898 120 Q HN 0.474 nan 8.270 nan 0.000 0.426 121 A N 0.770 123.420 122.820 -0.283 0.000 2.019 121 A HA -0.085 4.235 4.320 0.000 0.000 0.219 121 A C 2.149 179.749 177.584 0.026 0.000 1.164 121 A CA 1.589 53.431 52.037 -0.325 0.000 0.644 121 A CB -0.489 18.216 19.000 -0.491 0.000 0.805 121 A HN 0.392 nan 8.150 nan 0.000 0.449 122 A N -1.137 121.689 122.820 0.010 0.000 2.081 122 A HA 0.367 4.687 4.320 0.000 0.000 0.214 122 A C 1.961 179.576 177.584 0.051 0.000 1.158 122 A CA 0.814 52.886 52.037 0.059 0.000 0.724 122 A CB -0.168 18.856 19.000 0.040 0.000 0.826 122 A HN 0.422 nan 8.150 nan 0.000 0.463 123 L N -0.708 120.531 121.223 0.027 0.000 2.362 123 L HA 0.248 4.588 4.340 0.000 0.000 0.204 123 L C 0.251 177.146 176.870 0.042 0.000 1.060 123 L CA -0.077 54.781 54.840 0.030 0.000 0.827 123 L CB -0.407 41.660 42.059 0.013 0.000 1.027 123 L HN 0.175 nan 8.230 nan 0.000 0.474 124 L N 1.250 122.498 121.223 0.043 0.000 2.453 124 L HA 0.094 4.434 4.340 0.000 0.000 0.272 124 L C 0.418 177.344 176.870 0.093 0.000 1.182 124 L CA 0.124 55.002 54.840 0.062 0.000 0.858 124 L CB 0.187 42.283 42.059 0.062 0.000 1.120 124 L HN 0.148 nan 8.230 nan 0.000 0.474 125 R N 3.318 123.870 120.500 0.087 0.000 2.500 125 R HA 0.199 4.539 4.340 0.000 0.000 0.275 125 R C -1.554 174.814 176.300 0.114 0.000 1.051 125 R CA -1.580 54.576 56.100 0.094 0.000 1.088 125 R CB 0.529 30.875 30.300 0.076 0.000 1.063 125 R HN 0.335 nan 8.270 nan 0.000 0.511 126 P HA -0.196 nan 4.420 nan 0.000 0.215 126 P C 1.186 178.553 177.300 0.111 0.000 1.157 126 P CA 1.564 64.733 63.100 0.115 0.000 0.874 126 P CB 0.054 31.805 31.700 0.085 0.000 0.790 127 G N -0.077 108.785 108.800 0.103 0.000 2.469 127 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 127 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 127 G C 1.370 176.354 174.900 0.140 0.000 1.136 127 G CA 0.870 46.042 45.100 0.120 0.000 0.759 127 G HN 0.329 nan 8.290 nan 0.000 0.562 128 E N 0.108 120.380 120.200 0.120 0.000 2.072 128 E HA 0.021 4.371 4.350 0.000 0.000 0.190 128 E C 2.566 179.246 176.600 0.133 0.000 0.982 128 E CA 0.343 56.808 56.400 0.108 0.000 0.803 128 E CB -0.202 29.545 29.700 0.079 0.000 0.755 128 E HN 0.385 nan 8.360 nan 0.000 0.453 129 L N 0.834 122.144 121.223 0.144 0.000 2.079 129 L HA -0.189 4.151 4.340 0.000 0.000 0.210 129 L C 2.474 179.442 176.870 0.163 0.000 1.081 129 L CA 0.802 55.742 54.840 0.168 0.000 0.752 129 L CB -0.507 41.667 42.059 0.192 0.000 0.896 129 L HN 0.063 nan 8.230 nan 0.000 0.433 130 V N -0.020 119.980 119.914 0.143 0.000 2.358 130 V HA -0.255 3.865 4.120 0.000 0.000 0.246 130 V C 2.754 178.938 176.094 0.150 0.000 1.047 130 V CA 1.717 64.096 62.300 0.131 0.000 1.035 130 V CB -0.843 31.044 31.823 0.107 0.000 0.658 130 V HN 0.465 nan 8.190 nan 0.000 0.452 131 A N 0.304 123.220 122.820 0.160 0.000 1.845 131 A HA -0.201 4.119 4.320 0.000 0.000 0.215 131 A C 2.179 179.883 177.584 0.200 0.000 1.195 131 A CA 2.105 54.240 52.037 0.163 0.000 0.616 131 A CB -0.642 18.439 19.000 0.134 0.000 0.832 131 A HN 0.463 nan 8.150 nan 0.000 0.443 132 I N -0.192 120.511 120.570 0.222 0.000 2.087 132 I HA -0.334 3.836 4.170 0.000 0.000 0.240 132 I C 2.627 178.987 176.117 0.404 0.000 1.054 132 I CA 2.127 63.642 61.300 0.358 0.000 1.311 132 I CB -0.841 37.359 38.000 0.333 0.000 1.024 132 I HN 0.316 nan 8.210 nan 0.000 0.402 133 T N 0.500 115.210 114.554 0.259 0.000 2.821 133 T HA -0.098 4.252 4.350 0.000 0.000 0.267 133 T C 2.007 176.819 174.700 0.188 0.000 1.046 133 T CA 1.272 63.487 62.100 0.191 0.000 1.139 133 T CB -0.341 68.607 68.868 0.132 0.000 0.871 133 T HN 0.497 nan 8.240 nan 0.000 0.454 134 A N 1.727 124.660 122.820 0.188 0.000 1.873 134 A HA -0.077 4.243 4.320 0.000 0.000 0.215 134 A C 2.617 180.337 177.584 0.225 0.000 1.186 134 A CA 1.875 54.014 52.037 0.171 0.000 0.616 134 A CB -0.968 18.118 19.000 0.144 0.000 0.823 134 A HN 0.442 nan 8.150 nan 0.000 0.442 135 S N 0.365 116.237 115.700 0.287 0.000 2.365 135 S HA -0.159 4.311 4.470 0.000 0.000 0.225 135 S C 2.312 177.213 174.600 0.502 0.000 1.039 135 S CA 1.458 59.878 58.200 0.368 0.000 1.033 135 S CB -0.677 62.755 63.200 0.387 0.000 0.887 135 S HN 0.841 nan 8.310 nan 0.000 0.447 136 A N 1.533 124.641 122.820 0.481 0.000 1.892 136 A HA -0.116 4.204 4.320 0.000 0.000 0.218 136 A C 2.156 179.979 177.584 0.398 0.000 1.188 136 A CA 1.682 53.909 52.037 0.316 0.000 0.631 136 A CB -0.854 18.197 19.000 0.085 0.000 0.822 136 A HN 0.400 nan 8.150 nan 0.000 0.447 137 L N -0.482 120.892 121.223 0.252 0.000 2.046 137 L HA -0.180 4.160 4.340 0.000 0.000 0.208 137 L C 2.509 179.559 176.870 0.301 0.000 1.077 137 L CA 2.032 57.005 54.840 0.221 0.000 0.747 137 L CB -0.787 41.350 42.059 0.131 0.000 0.896 137 L HN 0.399 nan 8.230 nan 0.000 0.432 138 Q N -0.180 119.779 119.800 0.265 0.000 1.948 138 Q HA -0.177 4.163 4.340 0.000 0.000 0.205 138 Q C 2.300 178.456 176.000 0.260 0.000 0.992 138 Q CA 1.941 57.877 55.803 0.222 0.000 0.849 138 Q CB -1.072 27.772 28.738 0.177 0.000 0.918 138 Q HN 0.601 nan 8.270 nan 0.000 0.421 139 A N 0.610 123.608 122.820 0.298 0.000 2.054 139 A HA -0.231 4.090 4.320 0.000 0.000 0.223 139 A C 1.934 179.782 177.584 0.440 0.000 1.169 139 A CA 1.739 53.946 52.037 0.282 0.000 0.655 139 A CB -0.898 18.195 19.000 0.154 0.000 0.812 139 A HN 0.405 nan 8.150 nan 0.000 0.462 140 F N 0.311 120.491 119.950 0.384 0.000 2.113 140 F HA -0.096 4.431 4.527 0.000 0.000 0.297 140 F C 2.355 178.244 175.800 0.149 0.000 1.103 140 F CA 1.759 59.914 58.000 0.257 0.000 1.248 140 F CB -0.298 38.754 39.000 0.088 0.000 0.999 140 F HN 0.124 nan 8.300 nan 0.000 0.475 141 R N 0.030 120.605 120.500 0.126 0.000 2.091 141 R HA -0.200 4.140 4.340 0.000 0.000 0.238 141 R C 2.113 178.380 176.300 -0.056 0.000 1.136 141 R CA 1.674 57.771 56.100 -0.005 0.000 0.959 141 R CB -0.586 29.781 30.300 0.111 0.000 0.856 141 R HN 0.238 nan 8.270 nan 0.000 0.437 142 E N 0.208 120.421 120.200 0.022 0.000 2.130 142 E HA -0.154 4.196 4.350 0.000 0.000 0.196 142 E C 1.694 178.280 176.600 -0.023 0.000 0.998 142 E CA 1.216 57.626 56.400 0.016 0.000 0.806 142 E CB 0.120 29.853 29.700 0.054 0.000 0.738 142 E HN 0.089 nan 8.360 nan 0.000 0.459 143 V N -0.425 119.458 119.914 -0.051 0.000 2.992 143 V HA 0.069 4.189 4.120 0.000 0.000 0.250 143 V C 1.997 177.983 176.094 -0.180 0.000 1.090 143 V CA 1.087 63.344 62.300 -0.072 0.000 1.101 143 V CB -0.034 31.803 31.823 0.022 0.000 0.743 143 V HN 0.341 nan 8.190 nan 0.000 0.468 144 A N 0.539 123.142 122.820 -0.361 0.000 1.929 144 A HA -0.168 4.152 4.320 0.000 0.000 0.216 144 A C 2.356 179.835 177.584 -0.176 0.000 1.176 144 A CA 1.892 53.703 52.037 -0.377 0.000 0.628 144 A CB -0.335 18.294 19.000 -0.618 0.000 0.816 144 A HN 0.486 nan 8.150 nan 0.000 0.444 145 R N -0.381 120.042 120.500 -0.129 0.000 2.055 145 R HA 0.172 4.512 4.340 0.000 0.000 0.221 145 R C 0.546 176.818 176.300 -0.046 0.000 1.154 145 R CA 0.548 56.609 56.100 -0.065 0.000 0.975 145 R CB -0.333 29.943 30.300 -0.041 0.000 0.869 145 R HN 0.388 nan 8.270 nan 0.000 0.437 146 L N 1.913 123.111 121.223 -0.042 0.000 2.858 146 L HA 0.238 4.578 4.340 0.000 0.000 0.243 146 L C -0.103 176.752 176.870 -0.026 0.000 1.416 146 L CA -0.173 54.652 54.840 -0.025 0.000 1.182 146 L CB -0.206 41.843 42.059 -0.016 0.000 1.564 146 L HN 0.398 nan 8.230 nan 0.000 0.436 147 A N 0.000 122.801 122.820 -0.031 0.000 2.254 147 A HA 0.000 4.320 4.320 0.000 0.000 0.244 147 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 147 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 147 A HN 0.000 nan 8.150 nan 0.000 0.486