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 2k70_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSFTEGWVRF SPGPNAAAYL TLENPGDLPL RLVGARTPVA ERVELHETFM DATA SEQUENCE REVEGKKVMG MRPVPFLEVP PKGRVELKPG GYHFMLLGLK RPLKAGEEVE DATA SEQUENCE LDLLFAGGKV LKVVLPVEAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.973 3.960 0.022 0.000 0.244 1 G C 0.000 174.898 174.900 -0.003 0.000 0.946 1 G CA 0.000 45.112 45.100 0.020 0.000 0.502 2 S N 2.156 117.871 115.700 0.024 0.000 5.237 2 S HA -0.105 4.411 4.470 0.076 0.000 0.207 2 S C -2.141 172.545 174.600 0.145 0.000 1.592 2 S CA 0.335 58.542 58.200 0.011 0.000 2.928 2 S CB -0.459 62.638 63.200 -0.172 0.000 0.871 2 S HN 0.320 8.669 8.310 0.065 0.000 0.432 3 F N 0.148 120.134 119.950 0.061 0.000 2.553 3 F HA 0.401 5.014 4.527 0.083 -0.036 0.335 3 F C -0.182 175.671 175.800 0.088 0.000 1.148 3 F CA -0.972 57.077 58.000 0.080 0.000 0.963 3 F CB 0.969 40.022 39.000 0.088 0.000 1.217 3 F HN -0.351 7.566 8.300 -0.639 0.000 0.441 4 T N 0.254 114.892 114.554 0.141 0.000 5.979 4 T HA -0.376 4.045 4.350 0.118 0.000 0.273 4 T C -0.944 173.874 174.700 0.196 0.000 2.195 4 T CA 1.990 64.178 62.100 0.146 0.000 3.693 4 T CB -0.283 68.642 68.868 0.096 0.000 0.944 4 T HN 0.459 8.763 8.240 0.106 0.000 1.117 5 E N -2.365 117.999 120.200 0.274 0.000 2.412 5 E HA 0.227 4.700 4.350 0.206 0.000 0.255 5 E C -2.462 174.311 176.600 0.288 0.000 0.933 5 E CA -1.594 54.963 56.400 0.261 0.000 0.823 5 E CB 3.592 33.453 29.700 0.270 0.000 1.352 5 E HN -0.609 7.871 8.360 0.353 0.091 0.406 6 G N -2.297 106.678 108.800 0.292 0.000 2.663 6 G HA2 0.748 4.909 3.960 0.358 0.000 0.299 6 G HA3 0.748 4.886 3.960 0.145 -0.091 0.299 6 G C -2.880 172.289 174.900 0.449 0.000 1.372 6 G CA -0.245 45.032 45.100 0.297 0.000 0.781 6 G HN 0.115 8.565 8.290 0.267 0.000 0.491 7 W N -4.019 117.381 121.300 0.167 0.000 3.217 7 W HA 0.640 5.502 4.660 0.105 -0.139 0.323 7 W C -2.501 174.104 176.519 0.144 0.000 1.216 7 W CA -1.763 55.667 57.345 0.141 0.000 1.194 7 W CB 2.317 31.858 29.460 0.135 0.000 1.397 7 W HN 0.462 8.524 8.180 -0.196 0.000 0.537 8 V N 1.860 121.879 119.914 0.174 0.000 2.567 8 V HA 0.038 4.104 4.120 -0.090 0.000 0.289 8 V C -0.979 175.235 176.094 0.201 0.000 1.049 8 V CA -0.813 61.523 62.300 0.060 0.000 0.969 8 V CB 1.875 33.723 31.823 0.041 0.000 0.995 8 V HN 0.804 9.153 8.190 0.265 0.000 0.471 9 R N 4.952 125.526 120.500 0.124 0.000 2.308 9 R HA 0.221 4.970 4.340 0.441 -0.144 0.305 9 R C 0.356 176.798 176.300 0.236 0.000 1.053 9 R CA -1.054 55.203 56.100 0.263 0.000 0.957 9 R CB 1.761 32.179 30.300 0.198 0.000 1.022 9 R HN 0.386 8.635 8.270 -0.036 0.000 0.461 10 F N 9.434 129.462 119.950 0.129 0.000 2.623 10 F HA -0.343 4.370 4.527 0.070 -0.143 0.381 10 F C -1.084 174.750 175.800 0.058 0.000 1.081 10 F CA 2.210 60.260 58.000 0.082 0.000 1.293 10 F CB 0.427 39.474 39.000 0.078 0.000 1.006 10 F HN 0.190 8.676 8.300 0.471 0.096 0.578 11 S N 6.328 121.762 115.700 -0.443 0.000 2.596 11 S HA 0.272 4.583 4.470 -0.266 0.000 0.305 11 S C -2.225 172.109 174.600 -0.443 0.000 1.086 11 S CA -1.800 56.189 58.200 -0.352 0.000 0.909 11 S CB 1.454 64.614 63.200 -0.067 0.000 1.106 11 S HN 0.769 8.570 8.310 -0.654 0.117 0.450 12 P HA 0.262 4.543 4.420 -0.231 0.000 0.255 12 P C -0.178 177.059 177.300 -0.106 0.000 1.248 12 P CA -0.446 62.518 63.100 -0.226 0.000 0.807 12 P CB 0.237 31.832 31.700 -0.175 0.000 1.150 13 G N 1.145 109.901 108.800 -0.075 0.000 2.531 13 G HA2 0.295 4.241 3.960 -0.023 0.000 0.281 13 G HA3 0.295 4.250 3.960 -0.008 0.000 0.281 13 G C -1.147 173.736 174.900 -0.029 0.000 1.382 13 G CA -1.655 43.427 45.100 -0.030 0.000 1.045 13 G HN -0.626 7.530 8.290 -0.091 0.079 0.533 14 P HA -0.034 4.376 4.420 -0.017 0.000 0.225 14 P C -1.530 175.764 177.300 -0.010 0.000 1.156 14 P CA 1.295 64.389 63.100 -0.010 0.000 0.787 14 P CB 0.496 32.196 31.700 0.000 0.000 0.802 15 N N -3.344 115.355 118.700 -0.003 0.000 2.455 15 N HA 0.519 5.373 4.740 -0.007 -0.118 0.278 15 N C -2.325 173.187 175.510 0.003 0.000 1.291 15 N CA -1.734 51.317 53.050 0.002 0.000 0.780 15 N CB 2.757 41.257 38.487 0.022 0.000 1.520 15 N HN -0.581 7.801 8.380 0.003 0.000 0.486 16 A N -2.684 120.136 122.820 0.001 0.000 2.529 16 A HA 0.477 4.810 4.320 0.022 0.000 0.296 16 A C -2.795 174.776 177.584 -0.022 0.000 1.205 16 A CA -0.889 51.147 52.037 -0.002 0.000 0.671 16 A CB 2.992 21.982 19.000 -0.018 0.000 1.301 16 A HN 0.984 9.028 8.150 -0.004 0.104 0.450 17 A N -3.035 119.742 122.820 -0.073 0.000 2.587 17 A HA 0.938 5.367 4.320 -0.079 -0.157 0.293 17 A C -2.623 174.743 177.584 -0.362 0.000 1.087 17 A CA -0.951 50.981 52.037 -0.174 0.000 0.692 17 A CB 3.810 22.664 19.000 -0.244 0.000 1.291 17 A HN 0.296 8.409 8.150 -0.062 0.000 0.407 18 A N -0.308 122.240 122.820 -0.452 0.000 2.398 18 A HA 0.783 4.893 4.320 -0.550 -0.120 0.301 18 A C -2.452 174.759 177.584 -0.622 0.000 1.041 18 A CA -1.125 50.629 52.037 -0.472 0.000 0.711 18 A CB 3.229 22.162 19.000 -0.112 0.000 1.240 18 A HN 0.772 8.653 8.150 -0.274 0.105 0.420 19 Y N 0.965 121.020 120.300 -0.408 0.000 2.429 19 Y HA 0.584 5.063 4.550 -0.272 -0.092 0.342 19 Y C -1.257 174.386 175.900 -0.428 0.000 1.004 19 Y CA -1.591 56.188 58.100 -0.535 0.000 1.075 19 Y CB 2.447 40.236 38.460 -1.118 0.000 1.214 19 Y HN 0.156 7.998 8.280 -0.729 0.000 0.455 20 L N -5.680 115.524 121.223 -0.031 0.000 2.794 20 L HA 0.605 5.148 4.340 0.091 -0.149 0.261 20 L C -1.716 175.225 176.870 0.118 0.000 0.989 20 L CA -0.176 54.706 54.840 0.070 0.000 0.900 20 L CB 3.646 45.770 42.059 0.108 0.000 1.473 20 L HN 0.651 8.785 8.230 0.024 0.110 0.414 21 T N 2.616 117.262 114.554 0.154 0.000 2.762 21 T HA 0.255 4.681 4.350 0.127 0.000 0.303 21 T C -1.028 173.749 174.700 0.128 0.000 0.977 21 T CA 0.897 63.083 62.100 0.143 0.000 0.961 21 T CB -0.028 68.941 68.868 0.169 0.000 0.944 21 T HN 0.144 8.373 8.240 0.177 0.117 0.481 22 L N 7.302 128.589 121.223 0.106 0.000 2.305 22 L HA 0.218 4.652 4.340 0.158 0.000 0.281 22 L C -1.813 175.096 176.870 0.065 0.000 1.085 22 L CA -1.162 53.742 54.840 0.107 0.000 0.813 22 L CB 1.063 43.167 42.059 0.075 0.000 1.157 22 L HN 0.023 8.305 8.230 0.087 0.000 0.436 23 E N 4.009 124.256 120.200 0.078 0.000 2.272 23 E HA 0.259 4.750 4.350 0.022 -0.127 0.269 23 E C -1.652 174.978 176.600 0.049 0.000 0.877 23 E CA -1.396 55.032 56.400 0.048 0.000 0.755 23 E CB 3.810 33.539 29.700 0.050 0.000 1.192 23 E HN 0.225 8.659 8.360 0.123 0.000 0.422 24 N N 4.545 123.254 118.700 0.014 0.000 2.469 24 N HA 0.431 5.189 4.740 0.030 0.000 0.253 24 N C -1.347 174.175 175.510 0.019 0.000 0.970 24 N CA -3.498 49.556 53.050 0.008 0.000 0.940 24 N CB 0.947 39.412 38.487 -0.037 0.000 1.128 24 N HN 0.511 8.892 8.380 0.001 0.000 0.503 25 P HA 0.084 4.517 4.420 0.022 0.000 0.240 25 P C -0.014 177.299 177.300 0.022 0.000 1.190 25 P CA 0.101 63.219 63.100 0.030 0.000 0.781 25 P CB 0.738 32.462 31.700 0.041 0.000 0.931 26 G N 0.216 109.029 108.800 0.021 0.000 2.580 26 G HA2 0.001 3.971 3.960 0.017 0.000 0.278 26 G HA3 0.001 3.971 3.960 0.017 0.000 0.278 26 G C -1.479 173.423 174.900 0.003 0.000 1.212 26 G CA -1.299 43.810 45.100 0.015 0.000 0.939 26 G HN -0.214 8.341 8.290 0.023 -0.251 0.513 27 D N -1.970 118.431 120.400 0.002 0.000 2.349 27 D HA 0.039 4.677 4.640 -0.004 0.000 0.214 27 D C -0.829 175.466 176.300 -0.008 0.000 1.063 27 D CA 0.974 54.972 54.000 -0.003 0.000 0.847 27 D CB 0.206 41.005 40.800 -0.000 0.000 0.933 27 D HN 0.177 8.549 8.370 0.005 0.000 0.513 28 L N -4.519 116.698 121.223 -0.010 0.000 2.319 28 L HA 0.592 4.920 4.340 -0.019 0.000 0.267 28 L C -2.765 174.087 176.870 -0.030 0.000 1.011 28 L CA -3.737 51.093 54.840 -0.018 0.000 0.818 28 L CB 1.121 43.171 42.059 -0.014 0.000 1.316 28 L HN -0.942 7.202 8.230 -0.006 0.083 0.432 29 P HA 0.123 4.596 4.420 -0.065 -0.093 0.279 29 P C -1.087 176.154 177.300 -0.097 0.000 1.239 29 P CA -0.632 62.428 63.100 -0.067 0.000 0.789 29 P CB 1.023 32.685 31.700 -0.063 0.000 0.933 30 L N 0.711 121.841 121.223 -0.154 0.000 2.344 30 L HA 0.365 4.581 4.340 -0.206 0.000 0.272 30 L C -0.619 176.059 176.870 -0.320 0.000 1.035 30 L CA -0.971 53.701 54.840 -0.279 0.000 0.807 30 L CB 2.774 44.549 42.059 -0.473 0.000 1.237 30 L HN 0.391 8.534 8.230 -0.146 0.000 0.442 31 R N 1.926 122.212 120.500 -0.358 0.000 2.539 31 R HA 0.375 4.766 4.340 -0.173 -0.155 0.295 31 R C -1.982 174.229 176.300 -0.149 0.000 1.138 31 R CA -0.943 55.023 56.100 -0.224 0.000 0.936 31 R CB 2.777 32.946 30.300 -0.219 0.000 1.182 31 R HN 0.290 8.335 8.270 -0.375 0.000 0.459 32 L N 8.590 129.770 121.223 -0.071 0.000 2.295 32 L HA 0.409 5.122 4.340 0.354 -0.161 0.288 32 L C -1.370 175.650 176.870 0.250 0.000 1.079 32 L CA -0.655 54.285 54.840 0.167 0.000 0.830 32 L CB 0.813 42.966 42.059 0.157 0.000 1.200 32 L HN 0.771 8.954 8.230 -0.079 0.000 0.438 33 V N 2.458 122.526 119.914 0.257 0.000 3.621 33 V HA 0.592 4.897 4.120 0.309 0.000 0.263 33 V C -0.471 175.760 176.094 0.229 0.000 1.272 33 V CA -1.286 61.158 62.300 0.239 0.000 1.080 33 V CB 1.529 33.440 31.823 0.146 0.000 0.816 33 V HN 0.659 9.011 8.190 0.271 0.000 0.451 34 G N -2.057 106.884 108.800 0.236 0.000 2.663 34 G HA2 0.187 4.265 3.960 0.196 0.000 0.299 34 G HA3 0.187 4.201 3.960 0.090 0.000 0.299 34 G C -3.146 171.782 174.900 0.047 0.000 1.372 34 G CA -0.213 44.982 45.100 0.159 0.000 0.781 34 G HN -0.805 7.647 8.290 0.271 0.000 0.491 35 A N -1.935 120.781 122.820 -0.172 0.000 2.557 35 A HA 0.793 5.039 4.320 -0.315 -0.115 0.292 35 A C -2.307 175.098 177.584 -0.298 0.000 1.139 35 A CA -0.440 51.340 52.037 -0.428 0.000 0.665 35 A CB 3.321 21.556 19.000 -1.275 0.000 1.285 35 A HN 0.117 8.201 8.150 -0.109 0.000 0.433 36 R N -2.653 117.662 120.500 -0.308 0.000 2.733 36 R HA 0.375 4.606 4.340 -0.182 0.000 0.272 36 R C -2.206 173.973 176.300 -0.203 0.000 1.029 36 R CA -0.414 55.563 56.100 -0.205 0.000 0.888 36 R CB 4.328 34.542 30.300 -0.144 0.000 1.251 36 R HN 0.436 8.476 8.270 -0.382 0.000 0.464 37 T N -1.149 113.319 114.554 -0.143 0.000 2.927 37 T HA 0.405 4.783 4.350 -0.106 -0.092 0.350 37 T C -1.935 172.716 174.700 -0.081 0.000 1.746 37 T CA -2.040 59.992 62.100 -0.114 0.000 1.081 37 T CB 1.854 70.647 68.868 -0.125 0.000 1.551 37 T HN 0.192 8.360 8.240 -0.122 0.000 0.489 38 P HA 0.207 4.598 4.420 -0.048 0.000 0.241 38 P C -0.731 176.542 177.300 -0.044 0.000 1.191 38 P CA 1.090 64.161 63.100 -0.048 0.000 0.771 38 P CB 0.151 31.828 31.700 -0.039 0.000 0.929 39 V N -5.089 114.796 119.914 -0.049 0.000 2.894 39 V HA 0.319 4.468 4.120 -0.041 -0.054 0.373 39 V C -1.889 174.175 176.094 -0.050 0.000 1.286 39 V CA -1.833 60.440 62.300 -0.045 0.000 1.331 39 V CB -0.575 31.224 31.823 -0.040 0.000 1.415 39 V HN -0.669 7.428 8.190 -0.056 0.060 0.585 40 A N 0.069 122.857 122.820 -0.053 0.000 2.610 40 A HA 0.186 4.503 4.320 -0.042 -0.022 0.291 40 A C -2.005 175.552 177.584 -0.044 0.000 1.086 40 A CA -0.505 51.502 52.037 -0.049 0.000 0.677 40 A CB 2.442 21.405 19.000 -0.061 0.000 1.278 40 A HN -0.869 7.189 8.150 -0.053 0.060 0.414 41 E N 0.383 120.562 120.200 -0.035 0.000 2.175 41 E HA 0.017 4.349 4.350 -0.030 0.000 0.195 41 E C 0.768 177.351 176.600 -0.028 0.000 0.934 41 E CA 0.825 57.208 56.400 -0.029 0.000 0.870 41 E CB 1.704 31.392 29.700 -0.019 0.000 0.838 41 E HN 0.539 8.766 8.360 -0.032 0.114 0.474 42 R N -0.864 119.621 120.500 -0.025 0.000 2.407 42 R HA 0.271 4.598 4.340 -0.023 0.000 0.303 42 R C -1.646 174.628 176.300 -0.043 0.000 0.981 42 R CA -0.741 55.345 56.100 -0.023 0.000 0.905 42 R CB 1.965 32.262 30.300 -0.004 0.000 1.099 42 R HN -0.032 8.223 8.270 -0.024 0.000 0.459 43 V N 3.623 123.502 119.914 -0.058 0.000 2.716 43 V HA 0.682 4.931 4.120 -0.069 -0.171 0.304 43 V C -0.544 175.540 176.094 -0.017 0.000 1.053 43 V CA -2.316 59.942 62.300 -0.069 0.000 0.984 43 V CB 2.271 33.995 31.823 -0.165 0.000 1.021 43 V HN 0.430 8.592 8.190 -0.046 0.000 0.467 44 E N 4.816 125.007 120.200 -0.016 0.000 2.340 44 E HA 0.252 4.643 4.350 0.068 0.000 0.273 44 E C -2.458 174.142 176.600 -0.000 0.000 0.891 44 E CA -1.889 54.507 56.400 -0.006 0.000 0.757 44 E CB 4.093 33.763 29.700 -0.049 0.000 1.231 44 E HN 0.480 8.816 8.360 -0.039 0.000 0.439 45 L N 3.917 125.202 121.223 0.103 0.000 2.265 45 L HA 0.289 4.556 4.340 -0.122 0.000 0.289 45 L C -2.061 174.844 176.870 0.057 0.000 1.033 45 L CA -0.468 54.386 54.840 0.025 0.000 0.814 45 L CB 1.261 43.393 42.059 0.122 0.000 1.203 45 L HN 0.471 8.786 8.230 0.142 0.000 0.423 46 H N 5.755 124.652 119.070 -0.289 0.000 2.731 46 H HA 0.797 5.416 4.556 -0.136 -0.144 0.368 46 H C -0.656 174.513 175.328 -0.265 0.000 1.168 46 H CA -2.303 53.554 56.048 -0.318 0.000 1.181 46 H CB 4.249 33.690 29.762 -0.536 0.000 1.743 46 H HN 1.025 9.060 8.280 -0.408 0.000 0.547 47 E N 0.254 120.438 120.200 -0.025 0.000 2.302 47 E HA 0.279 4.302 4.350 -0.545 0.000 0.255 47 E C -1.657 174.896 176.600 -0.079 0.000 1.099 47 E CA -0.789 55.462 56.400 -0.249 0.000 0.929 47 E CB 2.117 31.661 29.700 -0.261 0.000 1.203 47 E HN 0.616 8.980 8.360 0.007 0.000 0.459 48 T N -0.413 114.056 114.554 -0.141 0.000 2.932 48 T HA 0.791 5.130 4.350 -0.311 -0.176 0.318 48 T C -1.084 173.563 174.700 -0.088 0.000 1.265 48 T CA -0.370 61.644 62.100 -0.143 0.000 1.036 48 T CB 3.442 72.285 68.868 -0.042 0.000 1.209 48 T HN -0.013 8.005 8.240 -0.369 0.000 0.484 49 F N 0.236 120.133 119.950 -0.088 0.000 2.741 49 F HA 0.457 4.930 4.527 -0.090 0.000 0.313 49 F C -2.929 172.842 175.800 -0.049 0.000 1.153 49 F CA -1.000 56.951 58.000 -0.082 0.000 0.931 49 F CB 1.937 40.883 39.000 -0.090 0.000 1.335 49 F HN 0.857 8.686 8.300 -0.784 0.000 0.460 50 M N 2.477 122.225 119.600 0.247 0.000 2.318 50 M HA 0.453 5.125 4.480 0.095 -0.135 0.347 50 M C -1.203 175.259 176.300 0.270 0.000 1.175 50 M CA -0.106 55.297 55.300 0.172 0.000 1.075 50 M CB 2.405 35.055 32.600 0.084 0.000 1.614 50 M HN 0.243 8.686 8.290 0.254 0.000 0.456 51 R N 3.065 123.686 120.500 0.201 0.000 2.707 51 R HA 0.342 4.756 4.340 0.124 0.000 0.272 51 R C -2.736 173.616 176.300 0.088 0.000 1.011 51 R CA -1.306 54.898 56.100 0.172 0.000 0.893 51 R CB 4.758 35.236 30.300 0.296 0.000 1.233 51 R HN 0.881 9.128 8.270 0.131 0.102 0.464 52 E N 3.665 123.898 120.200 0.055 0.000 2.179 52 E HA 0.369 4.878 4.350 0.032 -0.140 0.275 52 E C -1.126 175.492 176.600 0.030 0.000 0.945 52 E CA -1.162 55.258 56.400 0.034 0.000 0.792 52 E CB 1.509 31.221 29.700 0.020 0.000 1.125 52 E HN 0.231 8.618 8.360 0.045 0.000 0.397 53 V N 6.771 126.700 119.914 0.024 0.000 2.623 53 V HA 0.195 4.324 4.120 0.016 0.000 0.304 53 V C -0.589 175.513 176.094 0.013 0.000 1.054 53 V CA -0.317 61.994 62.300 0.019 0.000 0.882 53 V CB 2.330 34.166 31.823 0.022 0.000 1.002 53 V HN 0.261 8.357 8.190 0.023 0.108 0.424 54 E N 6.370 126.576 120.200 0.009 0.000 3.170 54 E HA -0.336 4.017 4.350 0.005 0.000 0.284 54 E C -0.372 176.231 176.600 0.006 0.000 0.967 54 E CA 0.660 57.064 56.400 0.006 0.000 0.919 54 E CB -1.197 28.506 29.700 0.006 0.000 1.469 54 E HN 0.957 9.322 8.360 0.008 0.000 0.444 55 G N -5.735 103.069 108.800 0.007 0.000 2.148 55 G HA2 -0.426 3.538 3.960 0.006 0.000 0.254 55 G HA3 -0.426 3.537 3.960 0.005 0.000 0.254 55 G C -1.141 173.763 174.900 0.007 0.000 0.981 55 G CA 0.085 45.188 45.100 0.006 0.000 0.670 55 G HN -0.063 8.193 8.290 0.008 0.039 0.528 56 K N 1.882 122.288 120.400 0.009 0.000 2.339 56 K HA 0.264 4.588 4.320 0.007 0.000 0.264 56 K C -1.155 175.453 176.600 0.014 0.000 0.986 56 K CA -1.542 54.750 56.287 0.009 0.000 0.866 56 K CB 1.531 34.036 32.500 0.007 0.000 1.103 56 K HN -0.162 7.930 8.250 0.010 0.164 0.441 57 K N 5.885 126.293 120.400 0.013 0.000 2.248 57 K HA 0.476 5.021 4.320 0.026 -0.209 0.281 57 K C -0.598 176.011 176.600 0.015 0.000 1.054 57 K CA -0.466 55.832 56.287 0.019 0.000 0.903 57 K CB 0.042 32.552 32.500 0.017 0.000 1.077 57 K HN 0.396 8.652 8.250 0.010 0.000 0.474 58 V N -0.715 119.212 119.914 0.022 0.000 3.182 58 V HA 0.589 4.707 4.120 -0.004 0.000 0.311 58 V C -1.403 174.692 176.094 0.001 0.000 1.221 58 V CA -2.870 59.434 62.300 0.007 0.000 1.060 58 V CB 3.009 34.837 31.823 0.009 0.000 1.164 58 V HN 1.005 9.114 8.190 0.036 0.103 0.466 59 M N -0.419 119.152 119.600 -0.048 0.000 2.724 59 M HA 0.804 5.368 4.480 -0.097 -0.143 0.310 59 M C -0.538 175.603 176.300 -0.265 0.000 1.217 59 M CA -0.932 54.288 55.300 -0.133 0.000 0.894 59 M CB 3.763 36.279 32.600 -0.139 0.000 1.719 59 M HN 0.059 8.318 8.290 -0.051 0.000 0.479 60 G N -1.268 107.121 108.800 -0.684 0.000 2.687 60 G HA2 0.497 4.171 3.960 -0.476 0.000 0.291 60 G HA3 0.497 3.857 3.960 -0.999 0.000 0.291 60 G C -3.657 170.388 174.900 -1.424 0.000 1.420 60 G CA -0.162 44.353 45.100 -0.976 0.000 0.796 60 G HN 0.588 8.379 8.290 -0.832 0.000 0.485 61 M N -1.155 117.966 119.600 -0.799 0.000 2.465 61 M HA 0.363 4.753 4.480 -0.342 -0.115 0.284 61 M C -2.175 174.066 176.300 -0.098 0.000 1.212 61 M CA -0.355 54.738 55.300 -0.345 0.000 0.910 61 M CB 3.593 36.099 32.600 -0.156 0.000 1.725 61 M HN 0.039 8.050 8.290 -0.466 0.000 0.477 62 R N 1.361 121.830 120.500 -0.053 0.000 2.707 62 R HA 0.639 4.899 4.340 -0.134 0.000 0.272 62 R C -2.702 173.471 176.300 -0.211 0.000 1.011 62 R CA -3.393 52.660 56.100 -0.078 0.000 0.893 62 R CB 3.725 34.091 30.300 0.109 0.000 1.233 62 R HN 0.059 8.305 8.270 -0.039 0.000 0.464 63 P HA 0.435 5.143 4.420 0.219 -0.157 0.274 63 P C -1.048 176.283 177.300 0.053 0.000 1.231 63 P CA -0.650 62.475 63.100 0.043 0.000 0.790 63 P CB 0.827 32.589 31.700 0.103 0.000 0.951 64 V N -3.869 116.092 119.914 0.079 0.000 3.007 64 V HA 0.517 4.638 4.120 0.001 0.000 0.311 64 V C -1.381 174.717 176.094 0.007 0.000 1.120 64 V CA -4.115 58.198 62.300 0.022 0.000 0.980 64 V CB 2.456 34.302 31.823 0.039 0.000 1.033 64 V HN 0.293 8.459 8.190 0.125 0.099 0.429 65 P HA 0.139 4.628 4.420 0.116 0.000 0.224 65 P C -1.670 175.751 177.300 0.203 0.000 1.157 65 P CA 1.057 64.203 63.100 0.077 0.000 0.799 65 P CB 0.546 32.318 31.700 0.119 0.000 0.809 66 F N -8.012 111.941 119.950 0.004 0.000 2.829 66 F HA 0.339 4.972 4.527 0.003 -0.105 0.319 66 F C -2.581 173.154 175.800 -0.107 0.000 1.153 66 F CA -1.366 56.619 58.000 -0.025 0.000 0.912 66 F CB 1.239 40.228 39.000 -0.019 0.000 1.292 66 F HN -0.792 7.241 8.300 -0.445 0.000 0.447 67 L N -1.436 119.812 121.223 0.042 0.000 2.330 67 L HA 0.477 4.622 4.340 -0.326 0.000 0.271 67 L C -1.570 175.364 176.870 0.107 0.000 1.013 67 L CA -1.074 53.694 54.840 -0.120 0.000 0.816 67 L CB 3.534 45.438 42.059 -0.257 0.000 1.287 67 L HN 0.709 8.952 8.230 0.206 0.111 0.435 68 E N 2.408 122.616 120.200 0.014 0.000 2.207 68 E HA 0.428 4.894 4.350 0.008 -0.112 0.270 68 E C -1.420 175.129 176.600 -0.084 0.000 0.927 68 E CA -1.400 55.007 56.400 0.012 0.000 0.799 68 E CB 2.272 32.016 29.700 0.073 0.000 1.172 68 E HN 0.146 8.435 8.360 -0.119 0.000 0.404 69 V N 4.498 124.343 119.914 -0.116 0.000 2.482 69 V HA 0.523 4.594 4.120 -0.081 0.000 0.295 69 V C -2.545 173.497 176.094 -0.087 0.000 1.026 69 V CA -3.884 58.351 62.300 -0.108 0.000 0.856 69 V CB 3.536 35.276 31.823 -0.139 0.000 1.001 69 V HN 1.035 9.041 8.190 -0.139 0.100 0.424 70 P HA 0.320 4.713 4.420 -0.045 0.000 0.274 70 P C -1.992 175.285 177.300 -0.039 0.000 1.237 70 P CA -2.262 60.813 63.100 -0.042 0.000 0.793 70 P CB -0.768 30.915 31.700 -0.028 0.000 0.977 71 P HA -0.252 4.197 4.420 -0.024 -0.044 0.268 71 P C -0.506 176.785 177.300 -0.015 0.000 1.204 71 P CA 0.781 63.868 63.100 -0.022 0.000 0.768 71 P CB 0.046 31.736 31.700 -0.017 0.000 0.842 72 K N -5.136 115.258 120.400 -0.009 0.000 3.495 72 K HA -0.394 4.023 4.320 -0.001 -0.097 0.315 72 K C -0.217 176.378 176.600 -0.008 0.000 1.301 72 K CA 1.400 57.684 56.287 -0.005 0.000 0.985 72 K CB -2.636 29.861 32.500 -0.005 0.000 1.244 72 K HN 0.075 8.321 8.250 -0.007 0.000 0.433 73 G N -0.533 108.259 108.800 -0.013 0.000 2.537 73 G HA2 0.089 4.042 3.960 -0.012 0.000 0.297 73 G HA3 0.089 4.038 3.960 -0.018 0.000 0.297 73 G C -2.388 172.504 174.900 -0.014 0.000 1.310 73 G CA -1.219 43.872 45.100 -0.015 0.000 1.027 73 G HN -0.407 7.739 8.290 -0.017 0.133 0.505 74 R N -1.681 118.811 120.500 -0.013 0.000 2.680 74 R HA 0.590 5.021 4.340 -0.008 -0.096 0.269 74 R C -2.134 174.162 176.300 -0.005 0.000 1.026 74 R CA -1.138 54.958 56.100 -0.006 0.000 0.889 74 R CB 3.246 33.547 30.300 0.002 0.000 1.241 74 R HN -0.265 7.997 8.270 -0.013 0.000 0.463 75 V N 0.732 120.645 119.914 -0.001 0.000 2.697 75 V HA 0.215 4.345 4.120 0.017 0.000 0.300 75 V C -1.492 174.618 176.094 0.027 0.000 1.115 75 V CA -1.052 61.250 62.300 0.003 0.000 0.912 75 V CB 4.445 36.245 31.823 -0.037 0.000 1.024 75 V HN 0.889 8.973 8.190 0.005 0.108 0.431 76 E N 5.554 125.790 120.200 0.060 0.000 2.331 76 E HA 0.163 4.679 4.350 0.086 -0.115 0.272 76 E C 0.354 177.009 176.600 0.092 0.000 1.036 76 E CA -1.038 55.415 56.400 0.088 0.000 0.864 76 E CB 0.714 30.487 29.700 0.122 0.000 1.035 76 E HN 0.327 8.727 8.360 0.065 0.000 0.408 77 L N 5.245 126.515 121.223 0.078 0.000 2.583 77 L HA -0.128 4.368 4.340 0.153 -0.064 0.280 77 L C -0.708 176.262 176.870 0.167 0.000 1.261 77 L CA 0.326 55.229 54.840 0.106 0.000 1.164 77 L CB -2.295 39.764 42.059 -0.000 0.000 1.402 77 L HN 0.781 9.055 8.230 0.074 0.000 0.443 78 K N 1.827 122.329 120.400 0.170 0.000 2.144 78 K HA 0.347 4.702 4.320 0.058 0.000 0.270 78 K C -0.746 175.848 176.600 -0.011 0.000 1.005 78 K CA -2.235 54.107 56.287 0.091 0.000 0.932 78 K CB -0.155 32.408 32.500 0.104 0.000 1.021 78 K HN -0.568 7.787 8.250 0.199 0.014 0.462 79 P HA -0.119 3.568 4.420 -1.222 0.000 0.222 79 P C 0.164 177.326 177.300 -0.230 0.000 1.147 79 P CA 1.402 64.086 63.100 -0.693 0.000 0.790 79 P CB -0.035 31.250 31.700 -0.692 0.000 0.780 80 G N -3.166 105.580 108.800 -0.090 0.000 3.234 80 G HA2 -0.036 3.890 3.960 -0.057 0.000 0.221 80 G HA3 -0.036 3.913 3.960 -0.017 0.000 0.221 80 G C -0.901 173.988 174.900 -0.019 0.000 1.229 80 G CA -0.961 44.115 45.100 -0.040 0.000 0.909 80 G HN -0.029 8.203 8.290 -0.060 0.022 0.510 81 G N -1.838 106.965 108.800 0.006 0.000 2.570 81 G HA2 0.033 4.119 3.960 -0.110 0.000 0.072 81 G HA3 0.033 3.943 3.960 -0.082 0.000 0.072 81 G C -2.260 172.685 174.900 0.075 0.000 1.030 81 G CA 0.272 45.344 45.100 -0.047 0.000 1.277 81 G HN -0.611 7.583 8.290 0.026 0.112 0.559 82 Y N 2.841 123.223 120.300 0.136 0.000 2.411 82 Y HA 0.333 5.045 4.550 0.005 -0.158 0.333 82 Y C 0.249 176.196 175.900 0.078 0.000 1.186 82 Y CA 1.367 59.493 58.100 0.043 0.000 1.381 82 Y CB 0.666 39.087 38.460 -0.065 0.000 1.273 82 Y HN 0.040 8.395 8.280 0.126 0.000 0.546 83 H N -2.852 116.232 119.070 0.023 0.000 3.037 83 H HA 0.305 4.800 4.556 -0.222 -0.072 0.336 83 H C -2.200 172.907 175.328 -0.368 0.000 1.323 83 H CA -1.442 54.502 56.048 -0.173 0.000 1.159 83 H CB 2.453 32.149 29.762 -0.110 0.000 1.882 83 H HN 0.872 8.869 8.280 -0.297 0.105 0.535 84 F N -0.862 118.990 119.950 -0.162 0.000 2.399 84 F HA 0.389 4.893 4.527 -0.294 -0.154 0.342 84 F C -0.321 175.346 175.800 -0.221 0.000 1.106 84 F CA -0.407 57.455 58.000 -0.231 0.000 1.196 84 F CB 1.278 40.183 39.000 -0.159 0.000 1.163 84 F HN 0.177 8.376 8.300 -0.170 0.000 0.547 85 M N 2.771 122.243 119.600 -0.215 0.000 2.188 85 M HA 0.215 4.785 4.480 -0.041 -0.114 0.357 85 M C -1.777 174.474 176.300 -0.083 0.000 1.204 85 M CA -1.005 54.188 55.300 -0.177 0.000 1.095 85 M CB 1.546 33.900 32.600 -0.410 0.000 1.604 85 M HN 0.950 8.934 8.290 -0.321 0.113 0.464 86 L N 5.491 126.686 121.223 -0.046 0.000 2.313 86 L HA 0.535 4.985 4.340 -0.055 -0.142 0.283 86 L C -1.626 175.227 176.870 -0.028 0.000 1.013 86 L CA -0.667 54.146 54.840 -0.045 0.000 0.816 86 L CB 1.106 43.134 42.059 -0.050 0.000 1.236 86 L HN 0.728 8.813 8.230 -0.035 0.124 0.419 87 L N 1.128 122.336 121.223 -0.024 0.000 2.401 87 L HA 0.561 5.016 4.340 -0.008 -0.120 0.266 87 L C 0.493 177.353 176.870 -0.016 0.000 0.991 87 L CA -0.891 53.943 54.840 -0.010 0.000 0.818 87 L CB 2.744 44.807 42.059 0.007 0.000 1.321 87 L HN 0.813 9.023 8.230 -0.032 0.000 0.413 88 G N 1.530 110.321 108.800 -0.015 0.000 2.248 88 G HA2 -0.446 3.505 3.960 -0.015 0.000 0.263 88 G HA3 -0.446 3.504 3.960 -0.017 0.000 0.263 88 G C -0.880 174.004 174.900 -0.026 0.000 1.082 88 G CA 0.298 45.387 45.100 -0.018 0.000 0.863 88 G HN 0.542 8.825 8.290 -0.011 0.000 0.495 89 L N -6.772 114.432 121.223 -0.031 0.000 2.499 89 L HA -0.009 4.375 4.340 -0.039 -0.067 0.281 89 L C 0.233 177.082 176.870 -0.037 0.000 1.234 89 L CA 0.193 55.010 54.840 -0.038 0.000 0.839 89 L CB 0.103 42.134 42.059 -0.046 0.000 1.104 89 L HN -0.942 7.271 8.230 -0.029 0.000 0.500 90 K N -0.270 120.107 120.400 -0.038 0.000 2.425 90 K HA 0.076 4.378 4.320 -0.030 0.000 0.201 90 K C -0.368 176.211 176.600 -0.034 0.000 1.128 90 K CA 0.115 56.382 56.287 -0.033 0.000 1.000 90 K CB 0.437 32.918 32.500 -0.031 0.000 0.961 90 K HN 0.307 8.446 8.250 -0.040 0.087 0.555 91 R N 0.497 120.974 120.500 -0.039 0.000 2.387 91 R HA 0.374 4.691 4.340 -0.039 0.000 0.314 91 R C -2.394 173.868 176.300 -0.063 0.000 0.958 91 R CA -3.188 52.886 56.100 -0.044 0.000 0.846 91 R CB 1.092 31.369 30.300 -0.038 0.000 1.147 91 R HN -0.618 7.626 8.270 -0.042 0.000 0.447 92 P HA -0.052 4.295 4.420 -0.121 0.000 0.269 92 P C -1.807 175.406 177.300 -0.146 0.000 1.252 92 P CA -0.251 62.782 63.100 -0.112 0.000 0.780 92 P CB 0.092 31.733 31.700 -0.098 0.000 0.829 93 L N -0.034 121.074 121.223 -0.191 0.000 2.334 93 L HA 1.086 5.607 4.340 -0.110 -0.247 0.273 93 L C -1.037 175.666 176.870 -0.279 0.000 1.013 93 L CA -2.171 52.574 54.840 -0.158 0.000 0.816 93 L CB 2.956 44.970 42.059 -0.076 0.000 1.278 93 L HN 0.154 8.257 8.230 -0.212 0.000 0.431 94 K N -1.290 119.043 120.400 -0.110 0.000 2.578 94 K HA 0.290 4.611 4.320 0.001 0.000 0.287 94 K C -1.870 174.850 176.600 0.200 0.000 1.010 94 K CA -1.964 54.333 56.287 0.016 0.000 0.889 94 K CB 2.928 35.413 32.500 -0.025 0.000 1.514 94 K HN -0.134 8.286 8.250 -0.050 -0.200 0.424 95 A N 0.967 123.985 122.820 0.330 0.000 2.548 95 A HA -0.318 4.276 4.320 0.190 -0.160 0.247 95 A C 1.457 179.110 177.584 0.115 0.000 1.067 95 A CA 1.404 53.559 52.037 0.198 0.000 0.757 95 A CB -1.520 17.569 19.000 0.148 0.000 0.996 95 A HN 0.373 8.810 8.150 0.478 0.000 0.504 96 G N 5.584 114.437 108.800 0.088 0.000 2.175 96 G HA2 -0.446 3.543 3.960 0.049 0.000 0.244 96 G HA3 -0.446 3.543 3.960 0.049 0.000 0.244 96 G C -0.432 174.501 174.900 0.056 0.000 0.982 96 G CA -0.359 44.776 45.100 0.059 0.000 0.641 96 G HN 0.682 9.033 8.290 0.101 0.000 0.527 97 E N 0.761 120.999 120.200 0.064 0.000 3.196 97 E HA 0.068 4.441 4.350 0.037 0.000 0.268 97 E C -1.409 175.225 176.600 0.057 0.000 1.430 97 E CA -0.396 56.033 56.400 0.048 0.000 1.176 97 E CB 1.239 30.959 29.700 0.034 0.000 1.228 97 E HN -0.284 8.069 8.360 0.082 0.056 0.730 98 E N -3.223 117.004 120.200 0.045 0.000 2.343 98 E HA 0.529 5.060 4.350 0.055 -0.148 0.288 98 E C -1.784 174.833 176.600 0.029 0.000 0.907 98 E CA -0.453 55.972 56.400 0.041 0.000 0.792 98 E CB 1.969 31.687 29.700 0.030 0.000 1.275 98 E HN 0.235 8.615 8.360 0.033 0.000 0.402 99 V N 3.376 123.309 119.914 0.032 0.000 2.777 99 V HA 0.262 4.383 4.120 0.002 0.000 0.306 99 V C -1.626 174.473 176.094 0.008 0.000 1.112 99 V CA -1.181 61.127 62.300 0.013 0.000 0.917 99 V CB 4.227 36.058 31.823 0.013 0.000 1.018 99 V HN 0.959 9.177 8.190 0.048 0.000 0.426 100 E N 5.687 125.880 120.200 -0.011 0.000 2.354 100 E HA 0.317 4.828 4.350 -0.011 -0.168 0.269 100 E C -1.081 175.491 176.600 -0.047 0.000 1.036 100 E CA 0.226 56.611 56.400 -0.024 0.000 0.876 100 E CB 1.368 31.047 29.700 -0.036 0.000 1.009 100 E HN 0.354 8.704 8.360 -0.017 0.000 0.416 101 L N 3.165 124.357 121.223 -0.052 0.000 2.362 101 L HA 0.513 4.929 4.340 -0.135 -0.157 0.271 101 L C -1.676 175.126 176.870 -0.112 0.000 1.002 101 L CA -0.889 53.890 54.840 -0.102 0.000 0.818 101 L CB 3.869 45.871 42.059 -0.095 0.000 1.298 101 L HN 0.543 8.754 8.230 -0.032 0.000 0.420 102 D N 2.628 122.930 120.400 -0.163 0.000 2.168 102 D HA 0.610 5.304 4.640 -0.164 -0.153 0.246 102 D C -1.084 175.082 176.300 -0.224 0.000 1.050 102 D CA -0.790 53.103 54.000 -0.177 0.000 0.857 102 D CB 2.401 43.105 40.800 -0.160 0.000 1.169 102 D HN 0.503 8.651 8.370 -0.200 0.102 0.453 103 L N 2.406 123.490 121.223 -0.231 0.000 2.377 103 L HA 0.310 4.697 4.340 -0.112 -0.114 0.270 103 L C -0.878 175.871 176.870 -0.201 0.000 0.991 103 L CA -0.575 54.178 54.840 -0.146 0.000 0.851 103 L CB 1.928 44.000 42.059 0.022 0.000 1.218 103 L HN 0.866 8.922 8.230 -0.289 0.000 0.420 104 L N 4.133 125.361 121.223 0.007 0.000 2.385 104 L HA 0.068 4.379 4.340 -0.048 0.000 0.281 104 L C -1.185 175.870 176.870 0.309 0.000 1.106 104 L CA 0.008 54.882 54.840 0.057 0.000 0.856 104 L CB -0.443 41.640 42.059 0.040 0.000 1.186 104 L HN 0.547 8.677 8.230 0.030 0.118 0.453 105 F N 4.026 123.985 119.950 0.014 0.000 2.421 105 F HA 0.667 5.431 4.527 0.023 -0.224 0.337 105 F C -0.075 175.717 175.800 -0.013 0.000 1.105 105 F CA -4.144 53.862 58.000 0.010 0.000 1.049 105 F CB 2.058 41.063 39.000 0.009 0.000 1.139 105 F HN 0.173 8.543 8.300 0.116 0.000 0.479 106 A N 3.360 126.255 122.820 0.125 0.000 2.524 106 A HA -0.031 4.305 4.320 0.026 0.000 0.250 106 A C -0.238 177.360 177.584 0.023 0.000 1.078 106 A CA 1.359 53.409 52.037 0.022 0.000 0.761 106 A CB 0.548 19.499 19.000 -0.083 0.000 1.012 106 A HN 0.701 8.792 8.150 0.082 0.109 0.500 107 G N 1.726 110.535 108.800 0.014 0.000 2.623 107 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.281 107 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.281 107 G C 0.138 175.051 174.900 0.022 0.000 1.087 107 G CA -0.762 44.343 45.100 0.008 0.000 1.244 107 G HN 0.106 8.403 8.290 0.011 0.000 0.544 108 G N -0.265 108.547 108.800 0.021 0.000 2.160 108 G HA2 -0.386 3.578 3.960 0.006 0.000 0.251 108 G HA3 -0.386 3.580 3.960 0.009 0.000 0.251 108 G C -0.829 174.082 174.900 0.018 0.000 1.008 108 G CA -0.118 44.990 45.100 0.013 0.000 0.724 108 G HN 0.135 8.435 8.290 0.017 0.000 0.514 109 K N -0.754 119.669 120.400 0.038 0.000 2.395 109 K HA 0.449 4.772 4.320 0.005 0.000 0.247 109 K C -1.894 174.675 176.600 -0.051 0.000 0.973 109 K CA -1.175 55.133 56.287 0.035 0.000 0.828 109 K CB 3.274 35.865 32.500 0.151 0.000 1.272 109 K HN -0.645 7.639 8.250 0.057 0.000 0.439 110 V N 0.732 120.532 119.914 -0.191 0.000 3.120 110 V HA 0.585 4.561 4.120 -0.551 -0.186 0.303 110 V C -1.918 173.850 176.094 -0.545 0.000 1.238 110 V CA -1.419 60.641 62.300 -0.399 0.000 1.008 110 V CB 3.273 34.960 31.823 -0.227 0.000 1.064 110 V HN 0.080 8.186 8.190 -0.140 0.000 0.434 111 L N 7.305 128.062 121.223 -0.776 0.000 2.362 111 L HA 0.614 4.769 4.340 -0.308 0.000 0.271 111 L C -2.469 174.236 176.870 -0.275 0.000 1.002 111 L CA -1.374 53.175 54.840 -0.485 0.000 0.818 111 L CB 3.957 45.678 42.059 -0.563 0.000 1.298 111 L HN 0.252 7.934 8.230 -0.912 0.000 0.420 112 K N 6.491 126.801 120.400 -0.149 0.000 2.206 112 K HA 0.724 5.140 4.320 -0.107 -0.160 0.264 112 K C -1.066 175.510 176.600 -0.041 0.000 0.967 112 K CA -1.398 54.834 56.287 -0.092 0.000 0.844 112 K CB 0.978 33.435 32.500 -0.072 0.000 1.099 112 K HN 0.119 8.296 8.250 -0.123 0.000 0.441 113 V N 2.508 122.410 119.914 -0.020 0.000 2.864 113 V HA 0.554 4.690 4.120 0.027 0.000 0.314 113 V C -1.600 174.504 176.094 0.017 0.000 1.073 113 V CA -2.156 60.156 62.300 0.019 0.000 0.956 113 V CB 3.587 35.442 31.823 0.052 0.000 1.023 113 V HN 1.003 9.170 8.190 -0.039 0.000 0.435 114 V N 2.189 122.124 119.914 0.035 0.000 2.448 114 V HA 0.333 4.606 4.120 0.026 -0.137 0.295 114 V C -0.579 175.554 176.094 0.066 0.000 1.025 114 V CA -1.151 61.171 62.300 0.038 0.000 0.859 114 V CB 0.991 32.833 31.823 0.031 0.000 0.988 114 V HN 0.088 8.306 8.190 0.047 0.000 0.431 115 L N 6.737 128.004 121.223 0.074 0.000 2.354 115 L HA 0.659 5.080 4.340 0.134 0.000 0.269 115 L C -2.645 174.295 176.870 0.116 0.000 1.005 115 L CA -3.389 51.520 54.840 0.115 0.000 0.819 115 L CB 2.078 44.209 42.059 0.121 0.000 1.311 115 L HN 0.903 9.165 8.230 0.055 0.000 0.423 116 P HA 0.248 4.875 4.420 0.100 -0.147 0.274 116 P C -1.020 176.392 177.300 0.186 0.000 1.246 116 P CA -1.035 62.148 63.100 0.137 0.000 0.795 116 P CB 0.706 32.479 31.700 0.121 0.000 1.006 117 V N -1.714 118.294 119.914 0.157 0.000 2.472 117 V HA 0.536 5.012 4.120 0.244 -0.209 0.290 117 V C -0.692 175.529 176.094 0.211 0.000 1.037 117 V CA -0.987 61.429 62.300 0.194 0.000 0.908 117 V CB 2.300 34.201 31.823 0.131 0.000 0.985 117 V HN 0.556 8.686 8.190 0.117 0.130 0.454 118 E N 6.066 126.439 120.200 0.288 0.000 2.340 118 E HA 0.255 4.686 4.350 0.135 0.000 0.273 118 E C -1.746 175.008 176.600 0.256 0.000 0.891 118 E CA -2.093 54.430 56.400 0.204 0.000 0.757 118 E CB 4.836 34.568 29.700 0.052 0.000 1.231 118 E HN 0.460 9.052 8.360 0.387 0.000 0.439 119 A N 3.767 126.656 122.820 0.116 0.000 3.074 119 A HA 0.026 4.372 4.320 0.044 0.000 0.251 119 A C -0.930 176.636 177.584 -0.030 0.000 1.695 119 A CA 0.272 52.289 52.037 -0.033 0.000 1.343 119 A CB -1.479 17.360 19.000 -0.270 0.000 1.078 119 A HN 0.710 8.883 8.150 0.039 0.000 0.644 120 R N 0.000 120.575 120.500 0.124 0.000 2.786 120 R HA 0.000 4.353 4.340 0.022 0.000 0.208 120 R CA 0.000 56.183 56.100 0.139 0.000 0.921 120 R CB 0.000 30.344 30.300 0.074 0.000 0.687 120 R HN 0.000 8.337 8.270 0.254 0.085 0.535