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 1ds9_8_A DATA FIRST_RESID 1 DATA SEQUENCE MAKATTIKDA IRIFEERKSV VATEAEKVEL HGMIPPIEKM DATLSTLKAC DATA SEQUENCE KHLALSTNNI EKISSLSGME NLRILSLGRN LIKKIENLDA VADTLEELWI DATA SEQUENCE SYNQIASLSG IEKLVNLRVL YMSNNKITNW GEIDKLAALD KLEDLLLAGN DATA SEQUENCE PLYNDYKENN ATSEYRIEVV KRLPNLKKLD GMPVDVDERE QANVARGG 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 M HA 0.000 4.535 4.480 0.091 0.000 0.227 1 M C 0.000 176.383 176.300 0.138 0.000 1.140 1 M CA 0.000 55.354 55.300 0.089 0.000 0.988 1 M CB 0.000 32.641 32.600 0.068 0.000 1.302 2 A N 0.531 123.459 122.820 0.180 0.000 2.351 2 A HA 0.104 4.714 4.320 0.483 0.000 0.257 2 A C -1.525 176.239 177.584 0.300 0.000 1.087 2 A CA -0.259 51.997 52.037 0.365 0.000 0.798 2 A CB 1.354 20.507 19.000 0.255 0.000 1.033 2 A HN 0.295 8.523 8.150 0.130 0.000 0.488 3 K N -0.454 120.175 120.400 0.382 0.000 2.307 3 K HA 0.170 4.580 4.320 0.151 0.000 0.239 3 K C -1.382 175.378 176.600 0.266 0.000 1.083 3 K CA -1.270 55.141 56.287 0.206 0.000 0.913 3 K CB 2.306 34.851 32.500 0.075 0.000 1.322 3 K HN 0.211 8.762 8.250 0.501 0.000 0.514 4 A N -0.447 122.459 122.820 0.144 0.000 3.158 4 A HA 0.274 4.720 4.320 0.209 0.000 0.302 4 A C -1.920 175.707 177.584 0.071 0.000 1.162 4 A CA 0.181 52.301 52.037 0.139 0.000 0.824 4 A CB 0.499 19.564 19.000 0.108 0.000 1.322 4 A HN 0.201 8.406 8.150 0.093 0.000 0.510 5 T N -0.442 114.138 114.554 0.043 0.000 3.359 5 T HA 0.183 4.547 4.350 0.023 0.000 0.160 5 T C -0.921 173.782 174.700 0.004 0.000 0.924 5 T CA -0.084 62.026 62.100 0.017 0.000 0.951 5 T CB 0.642 69.511 68.868 0.002 0.000 1.404 5 T HN -0.397 7.865 8.240 0.036 0.000 0.309 6 T N 1.987 116.529 114.554 -0.020 0.000 2.882 6 T HA 0.150 4.493 4.350 -0.012 0.000 0.287 6 T C 1.382 176.062 174.700 -0.033 0.000 1.014 6 T CA 0.266 62.351 62.100 -0.025 0.000 1.049 6 T CB 0.922 69.767 68.868 -0.038 0.000 1.001 6 T HN -0.194 8.026 8.240 -0.033 0.000 0.525 7 I N 2.746 123.305 120.570 -0.019 0.000 2.141 7 I HA -0.438 3.740 4.170 0.014 0.000 0.236 7 I C 1.666 177.757 176.117 -0.045 0.000 1.071 7 I CA 4.491 65.785 61.300 -0.009 0.000 1.345 7 I CB -0.248 37.755 38.000 0.006 0.000 1.066 7 I HN 0.143 8.345 8.210 -0.013 0.000 0.406 8 K N -0.912 119.461 120.400 -0.045 0.000 2.063 8 K HA -0.318 3.973 4.320 -0.049 0.000 0.208 8 K C 2.036 178.571 176.600 -0.109 0.000 1.048 8 K CA 3.464 59.715 56.287 -0.059 0.000 0.928 8 K CB -0.826 31.649 32.500 -0.041 0.000 0.713 8 K HN 0.079 8.310 8.250 -0.032 0.000 0.442 9 D N -2.336 117.995 120.400 -0.116 0.000 2.183 9 D HA -0.141 4.412 4.640 -0.145 0.000 0.203 9 D C 1.640 177.758 176.300 -0.303 0.000 0.969 9 D CA 2.583 56.487 54.000 -0.159 0.000 0.842 9 D CB -0.340 40.394 40.800 -0.110 0.000 0.957 9 D HN 0.016 8.328 8.370 -0.085 0.007 0.484 10 A N 0.446 123.068 122.820 -0.330 0.000 1.858 10 A HA -0.239 3.625 4.320 -0.760 0.000 0.216 10 A C 2.211 178.957 177.584 -1.398 0.000 1.190 10 A CA 3.142 54.759 52.037 -0.700 0.000 0.617 10 A CB -0.581 18.310 19.000 -0.182 0.000 0.827 10 A HN -0.225 7.581 8.150 -0.194 0.227 0.443 11 I N -2.218 118.019 120.570 -0.554 0.000 2.252 11 I HA -0.588 3.594 4.170 0.019 0.000 0.245 11 I C 2.289 178.240 176.117 -0.277 0.000 1.102 11 I CA 4.083 65.234 61.300 -0.248 0.000 1.385 11 I CB -0.377 37.623 38.000 -0.000 0.000 1.064 11 I HN -0.177 7.869 8.210 -0.273 0.000 0.414 12 R N -1.398 118.952 120.500 -0.251 0.000 2.120 12 R HA -0.326 3.959 4.340 -0.092 0.000 0.234 12 R C 2.788 178.969 176.300 -0.199 0.000 1.123 12 R CA 3.593 59.596 56.100 -0.161 0.000 0.975 12 R CB -0.199 30.027 30.300 -0.123 0.000 0.866 12 R HN -0.206 7.918 8.270 -0.243 0.000 0.446 13 I N 0.030 120.376 120.570 -0.375 0.000 2.252 13 I HA -0.418 3.660 4.170 -0.153 0.000 0.245 13 I C 1.764 177.793 176.117 -0.148 0.000 1.102 13 I CA 4.225 65.347 61.300 -0.297 0.000 1.385 13 I CB -0.003 37.760 38.000 -0.395 0.000 1.064 13 I HN 0.272 7.947 8.210 -0.523 0.221 0.414 14 F N -1.744 118.213 119.950 0.013 0.000 2.325 14 F HA -0.297 4.242 4.527 0.021 0.000 0.299 14 F C 2.380 178.189 175.800 0.015 0.000 1.090 14 F CA 1.138 59.149 58.000 0.017 0.000 1.392 14 F CB -1.539 37.473 39.000 0.020 0.000 1.053 14 F HN 0.028 7.637 8.300 -1.015 0.082 0.521 15 E N 0.204 120.476 120.200 0.121 0.000 2.230 15 E HA -0.135 4.504 4.350 0.095 -0.233 0.192 15 E C 2.395 179.020 176.600 0.041 0.000 0.987 15 E CA 2.618 59.062 56.400 0.074 0.000 0.841 15 E CB 0.292 30.015 29.700 0.038 0.000 0.783 15 E HN -0.048 8.212 8.360 0.029 0.117 0.481 16 E N -2.561 117.650 120.200 0.018 0.000 2.251 16 E HA -0.005 4.351 4.350 0.010 0.000 0.194 16 E C 1.568 178.183 176.600 0.025 0.000 0.964 16 E CA 1.844 58.250 56.400 0.009 0.000 0.868 16 E CB 0.531 30.223 29.700 -0.014 0.000 0.828 16 E HN -0.177 8.085 8.360 -0.002 0.097 0.481 17 R N -1.286 119.242 120.500 0.047 0.000 2.039 17 R HA 0.017 4.382 4.340 0.042 0.000 0.218 17 R C 1.799 178.146 176.300 0.078 0.000 1.220 17 R CA 1.276 57.414 56.100 0.063 0.000 0.993 17 R CB 0.772 31.123 30.300 0.086 0.000 0.881 17 R HN 0.248 8.430 8.270 0.051 0.120 0.450 18 K N -2.938 117.536 120.400 0.123 0.000 2.365 18 K HA -0.023 4.344 4.320 0.077 0.000 0.199 18 K C -0.204 176.440 176.600 0.073 0.000 1.045 18 K CA -0.169 56.180 56.287 0.104 0.000 0.962 18 K CB 0.042 32.626 32.500 0.139 0.000 0.759 18 K HN -0.262 8.094 8.250 0.177 0.000 0.469 19 S N -1.862 113.883 115.700 0.075 0.000 3.783 19 S HA -0.353 4.319 4.470 0.047 -0.174 0.360 19 S C -0.369 174.263 174.600 0.054 0.000 1.006 19 S CA 0.548 58.778 58.200 0.050 0.000 1.115 19 S CB -1.227 61.988 63.200 0.026 0.000 0.893 19 S HN -0.334 7.982 8.310 0.089 0.047 0.475 20 V N -5.289 114.674 119.914 0.083 0.000 3.345 20 V HA 0.353 4.504 4.120 0.051 0.000 0.308 20 V C -1.415 174.722 176.094 0.072 0.000 1.168 20 V CA -2.476 59.868 62.300 0.074 0.000 1.024 20 V CB 2.056 33.931 31.823 0.087 0.000 1.211 20 V HN -0.344 7.806 8.190 0.114 0.108 0.461 21 V N 0.204 120.153 119.914 0.059 0.000 2.320 21 V HA 0.127 4.281 4.120 0.056 0.000 0.257 21 V C -0.476 175.652 176.094 0.057 0.000 0.996 21 V CA -0.692 61.639 62.300 0.052 0.000 0.928 21 V CB -0.890 30.952 31.823 0.031 0.000 1.169 21 V HN 0.284 8.505 8.190 0.051 0.000 0.475 22 A N 3.871 126.745 122.820 0.090 0.000 1.862 22 A HA 0.171 4.529 4.320 0.064 0.000 0.211 22 A C 0.185 177.815 177.584 0.076 0.000 1.220 22 A CA 0.946 53.039 52.037 0.093 0.000 0.616 22 A CB 1.336 20.437 19.000 0.168 0.000 0.878 22 A HN -0.004 8.216 8.150 0.117 0.000 0.453 23 T N -0.324 114.278 114.554 0.080 0.000 3.852 23 T HA -0.398 3.978 4.350 0.044 0.000 0.361 23 T C -0.728 174.001 174.700 0.049 0.000 0.759 23 T CA 0.983 63.114 62.100 0.051 0.000 1.899 23 T CB -1.633 67.256 68.868 0.036 0.000 1.822 23 T HN 0.049 8.349 8.240 0.100 0.000 0.778 24 E N -4.731 115.509 120.200 0.066 0.000 2.586 24 E HA -0.449 3.941 4.350 0.067 0.000 0.259 24 E C -1.578 175.047 176.600 0.042 0.000 1.107 24 E CA 1.006 57.438 56.400 0.055 0.000 0.754 24 E CB -0.390 29.333 29.700 0.038 0.000 1.335 24 E HN 0.034 8.440 8.360 0.092 0.009 0.411 25 A N -2.369 120.478 122.820 0.044 0.000 2.306 25 A HA 0.234 4.571 4.320 0.028 0.000 0.330 25 A C -0.098 177.506 177.584 0.032 0.000 1.146 25 A CA -0.847 51.209 52.037 0.033 0.000 0.827 25 A CB 1.544 20.561 19.000 0.029 0.000 1.178 25 A HN -0.382 7.674 8.150 0.055 0.128 0.490 26 E N -0.913 119.305 120.200 0.030 0.000 2.267 26 E HA -0.302 4.141 4.350 0.032 -0.073 0.197 26 E C -0.030 176.599 176.600 0.047 0.000 0.998 26 E CA 2.616 59.038 56.400 0.036 0.000 0.830 26 E CB 0.161 29.883 29.700 0.037 0.000 0.751 26 E HN 0.268 8.644 8.360 0.026 0.000 0.491 27 K N -1.489 118.927 120.400 0.027 0.000 2.296 27 K HA 0.296 4.774 4.320 0.004 -0.155 0.257 27 K C -0.734 175.865 176.600 -0.001 0.000 1.088 27 K CA -0.628 55.657 56.287 -0.004 0.000 0.980 27 K CB -0.433 32.044 32.500 -0.039 0.000 1.430 27 K HN -0.306 7.910 8.250 0.022 0.047 0.441 28 V N 7.266 127.186 119.914 0.010 0.000 2.180 28 V HA 0.021 4.146 4.120 0.008 0.000 0.265 28 V C -1.506 174.577 176.094 -0.019 0.000 1.214 28 V CA -0.751 61.547 62.300 -0.004 0.000 1.130 28 V CB -0.424 31.389 31.823 -0.018 0.000 1.266 28 V HN 0.609 8.819 8.190 0.033 0.000 0.473 29 E N 5.271 125.461 120.200 -0.016 0.000 1.802 29 E HA -0.060 4.386 4.350 0.007 -0.093 0.265 29 E C -0.573 176.034 176.600 0.011 0.000 1.168 29 E CA 0.234 56.632 56.400 -0.003 0.000 1.033 29 E CB -1.203 28.491 29.700 -0.011 0.000 1.095 29 E HN -0.248 8.102 8.360 -0.016 0.000 0.436 30 L N 2.043 123.253 121.223 -0.021 0.000 2.569 30 L HA 0.197 4.547 4.340 0.017 0.000 0.247 30 L C -0.010 176.894 176.870 0.056 0.000 1.135 30 L CA -0.847 53.980 54.840 -0.021 0.000 0.812 30 L CB 0.888 42.843 42.059 -0.173 0.000 1.431 30 L HN 0.028 8.204 8.230 -0.046 0.027 0.499 31 H N -1.802 117.244 119.070 -0.040 0.000 2.381 31 H HA 0.139 4.694 4.556 -0.003 0.000 0.252 31 H C 0.212 175.529 175.328 -0.019 0.000 0.920 31 H CA 1.361 57.401 56.048 -0.013 0.000 1.100 31 H CB 2.851 32.615 29.762 0.002 0.000 1.435 31 H HN 0.389 8.732 8.280 0.105 0.000 0.454 32 G N -3.517 105.324 108.800 0.068 0.000 2.533 32 G HA2 0.473 4.511 3.960 -0.033 0.000 0.304 32 G HA3 0.473 4.469 3.960 0.060 0.000 0.304 32 G C -1.983 172.908 174.900 -0.016 0.000 1.263 32 G CA -0.894 44.215 45.100 0.015 0.000 0.964 32 G HN -0.368 7.988 8.290 0.110 0.000 0.479 33 M N -0.779 118.809 119.600 -0.019 0.000 2.777 33 M HA 0.416 4.879 4.480 -0.028 0.000 0.288 33 M C -0.831 175.483 176.300 0.023 0.000 1.181 33 M CA -2.221 53.068 55.300 -0.019 0.000 0.758 33 M CB 4.584 37.156 32.600 -0.047 0.000 1.757 33 M HN 0.256 8.536 8.290 -0.016 0.000 0.453 34 I N 1.210 121.804 120.570 0.040 0.000 2.354 34 I HA 0.393 4.588 4.170 0.042 0.000 0.292 34 I C -0.598 175.536 176.117 0.027 0.000 0.989 34 I CA -4.078 57.249 61.300 0.045 0.000 1.188 34 I CB 2.359 40.401 38.000 0.070 0.000 1.342 34 I HN 0.274 8.509 8.210 0.042 0.000 0.457 35 P HA 0.140 4.667 4.420 0.008 -0.102 0.218 35 P C -1.603 175.706 177.300 0.014 0.000 1.149 35 P CA 2.239 65.346 63.100 0.012 0.000 0.817 35 P CB -1.658 30.047 31.700 0.008 0.000 0.785 36 P HA 0.041 4.469 4.420 0.014 0.000 0.257 36 P C -0.618 176.695 177.300 0.022 0.000 1.325 36 P CA -1.571 61.539 63.100 0.018 0.000 0.850 36 P CB -1.055 30.656 31.700 0.018 0.000 1.324 37 I N 0.069 120.655 120.570 0.026 0.000 2.821 37 I HA -0.442 3.752 4.170 0.041 0.000 0.294 37 I C -0.995 175.136 176.117 0.023 0.000 1.210 37 I CA 1.072 62.391 61.300 0.032 0.000 1.430 37 I CB 1.143 39.162 38.000 0.032 0.000 1.356 37 I HN -0.566 7.469 8.210 0.025 0.189 0.563 38 E N 9.336 129.550 120.200 0.024 0.000 2.940 38 E HA 0.019 4.399 4.350 0.014 -0.021 0.203 38 E C -1.036 175.574 176.600 0.018 0.000 0.995 38 E CA 0.421 56.831 56.400 0.017 0.000 1.396 38 E CB 2.477 32.186 29.700 0.014 0.000 1.310 38 E HN 0.408 8.785 8.360 0.029 0.000 0.613 39 K N 0.208 120.621 120.400 0.021 0.000 2.296 39 K HA 0.399 4.728 4.320 0.016 0.000 0.257 39 K C -0.193 176.425 176.600 0.030 0.000 1.088 39 K CA -1.861 54.439 56.287 0.021 0.000 0.980 39 K CB -0.158 32.352 32.500 0.017 0.000 1.430 39 K HN 0.023 8.287 8.250 0.023 0.000 0.441 40 M N 7.242 126.860 119.600 0.031 0.000 3.709 40 M HA -0.090 4.428 4.480 0.063 0.000 0.197 40 M C -0.494 175.831 176.300 0.042 0.000 1.511 40 M CA 0.704 56.030 55.300 0.044 0.000 1.688 40 M CB -1.827 30.793 32.600 0.033 0.000 1.109 40 M HN 0.721 9.025 8.290 0.023 0.000 0.561 41 D N 2.824 123.247 120.400 0.039 0.000 2.144 41 D HA -0.323 4.331 4.640 0.023 0.000 0.199 41 D C 1.036 177.360 176.300 0.041 0.000 0.984 41 D CA 4.359 58.377 54.000 0.030 0.000 0.834 41 D CB -0.117 40.695 40.800 0.021 0.000 0.955 41 D HN 0.271 8.596 8.370 0.039 0.068 0.465 42 A N -0.710 122.149 122.820 0.066 0.000 1.883 42 A HA -0.360 4.000 4.320 0.067 0.000 0.217 42 A C 1.283 178.918 177.584 0.085 0.000 1.186 42 A CA 3.845 55.939 52.037 0.093 0.000 0.624 42 A CB -1.368 17.745 19.000 0.188 0.000 0.822 42 A HN 0.647 8.829 8.150 0.075 0.013 0.444 43 T N 1.019 115.617 114.554 0.074 0.000 2.746 43 T HA -0.320 4.058 4.350 0.046 0.000 0.267 43 T C 2.117 176.834 174.700 0.029 0.000 1.039 43 T CA 4.011 66.138 62.100 0.044 0.000 1.142 43 T CB -0.541 68.343 68.868 0.027 0.000 0.866 43 T HN -0.187 8.023 8.240 0.081 0.079 0.444 44 L N 0.264 121.503 121.223 0.027 0.000 2.012 44 L HA -0.352 3.995 4.340 0.011 0.000 0.210 44 L C 1.823 178.703 176.870 0.017 0.000 1.073 44 L CA 3.669 58.519 54.840 0.017 0.000 0.748 44 L CB -0.354 41.714 42.059 0.015 0.000 0.891 44 L HN -0.084 8.086 8.230 0.032 0.078 0.431 45 S N -2.818 112.896 115.700 0.023 0.000 2.329 45 S HA -0.210 4.269 4.470 0.015 0.000 0.215 45 S C 2.332 176.946 174.600 0.024 0.000 1.031 45 S CA 3.487 61.699 58.200 0.021 0.000 0.985 45 S CB 0.150 63.363 63.200 0.022 0.000 0.917 45 S HN -0.217 8.111 8.310 0.029 0.000 0.441 46 T N 4.169 118.744 114.554 0.035 0.000 2.918 46 T HA -0.259 4.111 4.350 0.034 0.000 0.271 46 T C 2.303 177.017 174.700 0.024 0.000 1.104 46 T CA 2.551 64.673 62.100 0.037 0.000 1.114 46 T CB -0.627 68.275 68.868 0.057 0.000 0.855 46 T HN -0.101 8.166 8.240 0.044 0.000 0.518 47 L N 2.182 123.416 121.223 0.019 0.000 2.051 47 L HA -0.380 3.963 4.340 0.005 0.000 0.214 47 L C 1.765 178.639 176.870 0.006 0.000 1.076 47 L CA 3.553 58.398 54.840 0.008 0.000 0.758 47 L CB -1.171 40.891 42.059 0.005 0.000 0.890 47 L HN 0.121 8.209 8.230 0.022 0.155 0.433 48 K N -0.056 120.349 120.400 0.009 0.000 2.063 48 K HA -0.260 4.062 4.320 0.004 0.000 0.208 48 K C 0.550 177.156 176.600 0.009 0.000 1.048 48 K CA 2.108 58.400 56.287 0.007 0.000 0.928 48 K CB -0.199 32.306 32.500 0.008 0.000 0.713 48 K HN -0.272 7.979 8.250 0.011 0.006 0.442 49 A N -3.066 119.762 122.820 0.014 0.000 3.181 49 A HA 0.088 4.416 4.320 0.014 0.000 0.293 49 A C -1.533 176.062 177.584 0.018 0.000 1.346 49 A CA -1.085 50.962 52.037 0.017 0.000 1.018 49 A CB -0.322 18.690 19.000 0.021 0.000 1.093 49 A HN -0.128 7.929 8.150 0.016 0.103 0.629 50 C N -1.475 117.832 119.300 0.012 0.000 2.456 50 C HA 0.151 4.621 4.460 0.017 0.000 0.325 50 C C -1.077 173.915 174.990 0.003 0.000 1.217 50 C CA 0.321 59.344 59.018 0.009 0.000 1.687 50 C CB 2.183 29.923 27.740 -0.000 0.000 2.270 50 C HN -0.258 7.847 8.230 0.008 0.130 0.499 51 K N 0.743 121.149 120.400 0.010 0.000 3.035 51 K HA 0.153 4.457 4.320 -0.026 0.000 0.186 51 K C -1.937 174.662 176.600 -0.001 0.000 1.903 51 K CA 0.724 57.011 56.287 0.001 0.000 1.445 51 K CB 3.142 35.658 32.500 0.026 0.000 2.187 51 K HN -0.123 8.141 8.250 0.023 0.000 0.619 52 H N 0.923 119.956 119.070 -0.061 0.000 2.727 52 H HA 0.571 5.216 4.556 -0.141 -0.174 0.330 52 H C -2.653 172.626 175.328 -0.082 0.000 0.986 52 H CA -1.159 54.835 56.048 -0.090 0.000 1.251 52 H CB 2.917 32.648 29.762 -0.052 0.000 1.493 52 H HN 0.123 8.360 8.280 0.119 0.114 0.515 53 L N 6.827 128.137 121.223 0.146 0.000 2.346 53 L HA 0.279 4.667 4.340 0.080 0.000 0.274 53 L C -3.091 173.854 176.870 0.125 0.000 1.007 53 L CA -1.180 53.712 54.840 0.087 0.000 0.818 53 L CB 4.664 46.705 42.059 -0.031 0.000 1.284 53 L HN 0.464 8.642 8.230 -0.086 0.000 0.424 54 A N 3.725 126.591 122.820 0.077 0.000 2.398 54 A HA 0.950 5.456 4.320 0.098 -0.128 0.301 54 A C -2.475 175.112 177.584 0.004 0.000 1.041 54 A CA -1.695 50.389 52.037 0.079 0.000 0.711 54 A CB 3.045 22.110 19.000 0.109 0.000 1.240 54 A HN 0.647 8.719 8.150 0.032 0.096 0.420 55 L N 0.945 122.160 121.223 -0.014 0.000 2.518 55 L HA 0.471 4.956 4.340 -0.088 -0.198 0.257 55 L C -1.304 175.493 176.870 -0.122 0.000 0.980 55 L CA -0.455 54.339 54.840 -0.078 0.000 0.837 55 L CB 4.982 46.991 42.059 -0.082 0.000 1.410 55 L HN 0.442 8.682 8.230 0.017 0.000 0.410 56 S N 0.585 116.128 115.700 -0.262 0.000 2.783 56 S HA 0.252 4.604 4.470 -0.197 0.000 0.205 56 S C -0.670 173.824 174.600 -0.176 0.000 0.910 56 S CA 1.282 59.289 58.200 -0.323 0.000 0.861 56 S CB 1.906 64.596 63.200 -0.850 0.000 0.830 56 S HN 0.895 8.889 8.310 -0.286 0.145 0.630 57 T N 3.438 117.892 114.554 -0.166 0.000 2.929 57 T HA 0.515 5.037 4.350 -0.066 -0.211 0.331 57 T C -1.946 172.722 174.700 -0.053 0.000 1.120 57 T CA -1.590 60.464 62.100 -0.076 0.000 0.973 57 T CB -0.208 68.634 68.868 -0.043 0.000 1.036 57 T HN -0.202 7.901 8.240 -0.229 0.000 0.502 58 N N 8.106 126.779 118.700 -0.045 0.000 2.448 58 N HA 0.340 5.061 4.740 -0.031 0.000 0.279 58 N C -1.614 173.884 175.510 -0.021 0.000 1.025 58 N CA -1.321 51.708 53.050 -0.035 0.000 0.898 58 N CB 2.605 41.064 38.487 -0.047 0.000 1.303 58 N HN 0.477 8.832 8.380 -0.041 0.000 0.495 59 N N 2.259 120.951 118.700 -0.014 0.000 2.430 59 N HA 0.161 4.983 4.740 -0.008 -0.087 0.292 59 N C -1.007 174.501 175.510 -0.003 0.000 1.051 59 N CA -0.097 52.949 53.050 -0.008 0.000 0.917 59 N CB 2.274 40.757 38.487 -0.007 0.000 1.164 59 N HN 0.507 8.880 8.380 -0.012 0.000 0.484 60 I N 3.525 124.095 120.570 -0.000 0.000 2.448 60 I HA 0.119 4.292 4.170 0.004 0.000 0.281 60 I C -1.821 174.298 176.117 0.005 0.000 1.027 60 I CA -0.368 60.933 61.300 0.002 0.000 1.111 60 I CB 0.702 38.701 38.000 -0.002 0.000 1.236 60 I HN 0.610 8.820 8.210 0.000 0.000 0.452 61 E N 6.442 126.646 120.200 0.007 0.000 2.112 61 E HA -0.091 4.263 4.350 0.007 0.000 0.190 61 E C 0.134 176.738 176.600 0.007 0.000 0.979 61 E CA 2.011 58.415 56.400 0.007 0.000 0.814 61 E CB 0.914 30.619 29.700 0.009 0.000 0.762 61 E HN 0.160 8.525 8.360 0.009 0.000 0.460 62 K N -3.720 116.685 120.400 0.008 0.000 2.509 62 K HA 0.283 4.606 4.320 0.005 0.000 0.266 62 K C -2.238 174.366 176.600 0.006 0.000 0.987 62 K CA -1.526 54.764 56.287 0.006 0.000 0.868 62 K CB 4.099 36.604 32.500 0.008 0.000 1.421 62 K HN -0.229 8.026 8.250 0.009 0.000 0.444 63 I N 0.777 121.350 120.570 0.004 0.000 2.654 63 I HA 0.166 4.340 4.170 0.007 0.000 0.282 63 I C -1.446 174.672 176.117 0.001 0.000 1.258 63 I CA -0.529 60.773 61.300 0.003 0.000 1.088 63 I CB 1.417 39.416 38.000 -0.002 0.000 1.316 63 I HN 0.069 8.281 8.210 0.003 0.000 0.448 64 S N 7.367 123.069 115.700 0.004 0.000 2.511 64 S HA 0.195 4.838 4.470 0.000 -0.172 0.214 64 S C 1.064 175.665 174.600 0.002 0.000 0.997 64 S CA 0.088 58.289 58.200 0.003 0.000 0.908 64 S CB 0.845 64.048 63.200 0.005 0.000 0.803 64 S HN -0.051 8.264 8.310 0.008 0.000 0.504 65 S N 3.077 118.779 115.700 0.003 0.000 3.864 65 S HA 0.022 4.494 4.470 0.003 0.000 0.202 65 S C 0.154 174.751 174.600 -0.005 0.000 1.402 65 S CA -0.471 57.730 58.200 0.002 0.000 1.072 65 S CB -1.588 61.616 63.200 0.007 0.000 1.383 65 S HN -0.252 8.061 8.310 0.005 0.000 0.458 66 L N 4.554 125.773 121.223 -0.007 0.000 1.988 66 L HA -0.216 4.115 4.340 -0.016 0.000 0.207 66 L C 1.315 178.177 176.870 -0.014 0.000 1.071 66 L CA 3.407 58.239 54.840 -0.012 0.000 0.744 66 L CB -0.005 42.047 42.059 -0.012 0.000 0.893 66 L HN 0.227 8.378 8.230 -0.005 0.076 0.433 67 S N -2.836 112.858 115.700 -0.011 0.000 2.419 67 S HA -0.322 4.305 4.470 -0.014 -0.166 0.235 67 S C 1.453 176.047 174.600 -0.010 0.000 1.019 67 S CA 2.271 60.464 58.200 -0.011 0.000 0.982 67 S CB -0.466 62.730 63.200 -0.007 0.000 0.789 67 S HN 0.306 8.611 8.310 -0.008 0.000 0.490 68 G N -0.701 108.095 108.800 -0.007 0.000 2.421 68 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.216 68 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.216 68 G C 1.666 176.558 174.900 -0.013 0.000 1.171 68 G CA 1.637 46.734 45.100 -0.005 0.000 0.775 68 G HN -0.013 8.146 8.290 -0.006 0.127 0.543 69 M N 0.059 119.647 119.600 -0.020 0.000 2.558 69 M HA -0.043 4.415 4.480 -0.035 0.000 0.255 69 M C 1.481 177.759 176.300 -0.038 0.000 1.113 69 M CA 0.733 56.014 55.300 -0.033 0.000 1.097 69 M CB -0.440 32.138 32.600 -0.038 0.000 1.426 69 M HN -0.251 7.950 8.290 -0.017 0.079 0.488 70 E N -0.613 119.569 120.200 -0.029 0.000 2.510 70 E HA -0.258 4.071 4.350 -0.035 0.000 0.202 70 E C -0.038 176.543 176.600 -0.032 0.000 1.072 70 E CA 1.973 58.355 56.400 -0.031 0.000 0.883 70 E CB -0.323 29.364 29.700 -0.023 0.000 0.818 70 E HN -0.249 7.909 8.360 -0.023 0.188 0.548 71 N N -3.482 115.198 118.700 -0.033 0.000 2.238 71 N HA 0.161 4.881 4.740 -0.032 0.000 0.235 71 N C -1.536 173.948 175.510 -0.044 0.000 1.209 71 N CA -0.433 52.598 53.050 -0.032 0.000 0.879 71 N CB 1.496 39.971 38.487 -0.020 0.000 1.136 71 N HN -0.741 7.530 8.380 -0.032 0.090 0.517 72 L N -0.919 120.267 121.223 -0.060 0.000 2.312 72 L HA 0.168 4.462 4.340 -0.075 0.000 0.281 72 L C -1.482 175.317 176.870 -0.119 0.000 1.070 72 L CA 0.071 54.858 54.840 -0.088 0.000 0.805 72 L CB 1.289 43.288 42.059 -0.100 0.000 1.174 72 L HN -0.288 7.812 8.230 -0.059 0.095 0.434 73 R N 3.207 123.619 120.500 -0.148 0.000 2.225 73 R HA 0.089 4.343 4.340 -0.144 0.000 0.194 73 R C 0.025 176.148 176.300 -0.294 0.000 0.949 73 R CA 0.994 56.992 56.100 -0.169 0.000 1.088 73 R CB 2.384 32.615 30.300 -0.115 0.000 1.106 73 R HN 0.206 8.390 8.270 -0.143 0.000 0.566 74 I N -0.222 120.090 120.570 -0.430 0.000 2.354 74 I HA 0.266 4.077 4.170 -0.801 -0.121 0.286 74 I C -2.153 173.457 176.117 -0.845 0.000 1.007 74 I CA -0.432 60.372 61.300 -0.826 0.000 1.167 74 I CB 1.859 39.121 38.000 -1.229 0.000 1.320 74 I HN 0.042 8.044 8.210 -0.346 0.000 0.458 75 L N 8.721 129.458 121.223 -0.810 0.000 2.321 75 L HA 0.441 4.555 4.340 -0.376 0.000 0.272 75 L C -2.113 174.449 176.870 -0.513 0.000 1.050 75 L CA -1.167 53.367 54.840 -0.512 0.000 0.893 75 L CB 1.437 43.301 42.059 -0.326 0.000 1.272 75 L HN 1.025 8.714 8.230 -0.902 0.000 0.435 76 S N 6.602 122.102 115.700 -0.334 0.000 2.448 76 S HA 0.144 4.750 4.470 0.227 0.000 0.279 76 S C -1.973 172.685 174.600 0.097 0.000 1.195 76 S CA 1.337 59.575 58.200 0.062 0.000 1.051 76 S CB 0.258 63.657 63.200 0.333 0.000 0.948 76 S HN 0.824 8.871 8.310 -0.285 0.092 0.493 77 L N 5.177 126.495 121.223 0.159 0.000 2.415 77 L HA 0.884 5.465 4.340 0.048 -0.213 0.256 77 L C -1.360 175.585 176.870 0.125 0.000 1.010 77 L CA -1.250 53.646 54.840 0.094 0.000 0.826 77 L CB 4.291 46.383 42.059 0.056 0.000 1.405 77 L HN 0.457 8.854 8.230 0.278 0.000 0.410 78 G N -0.221 108.623 108.800 0.073 0.000 2.597 78 G HA2 0.357 4.449 3.960 0.116 0.000 0.196 78 G HA3 0.357 4.347 3.960 0.051 0.000 0.196 78 G C -1.710 173.254 174.900 0.107 0.000 1.176 78 G CA 0.883 46.034 45.100 0.084 0.000 0.747 78 G HN -0.000 8.309 8.290 0.032 0.000 0.821 79 R N 2.444 122.982 120.500 0.062 0.000 2.585 79 R HA 0.524 5.181 4.340 0.172 -0.214 0.288 79 R C -2.862 173.450 176.300 0.019 0.000 1.194 79 R CA -0.597 55.544 56.100 0.068 0.000 1.006 79 R CB 2.085 32.382 30.300 -0.005 0.000 1.229 79 R HN 0.025 8.306 8.270 0.020 0.000 0.412 80 N N 3.266 121.993 118.700 0.045 0.000 2.494 80 N HA 0.589 5.380 4.740 -0.008 -0.057 0.270 80 N C -2.705 172.820 175.510 0.024 0.000 1.285 80 N CA -0.600 52.460 53.050 0.016 0.000 0.812 80 N CB 3.944 42.440 38.487 0.015 0.000 1.557 80 N HN 0.606 9.048 8.380 0.102 0.000 0.487 81 L N 0.375 121.602 121.223 0.007 0.000 2.298 81 L HA 0.633 4.988 4.340 0.025 0.000 0.284 81 L C -1.385 175.494 176.870 0.014 0.000 1.013 81 L CA -0.797 54.050 54.840 0.011 0.000 0.824 81 L CB 0.583 42.640 42.059 -0.003 0.000 1.221 81 L HN 0.188 8.417 8.230 -0.003 0.000 0.418 82 I N 3.666 124.249 120.570 0.022 0.000 2.418 82 I HA 0.314 4.490 4.170 0.010 0.000 0.287 82 I C -0.760 175.367 176.117 0.017 0.000 1.008 82 I CA -0.324 60.985 61.300 0.015 0.000 1.104 82 I CB 2.644 40.653 38.000 0.014 0.000 1.264 82 I HN 0.759 8.989 8.210 0.033 0.000 0.438 83 K N 5.922 126.329 120.400 0.012 0.000 2.216 83 K HA 0.112 4.442 4.320 0.016 0.000 0.207 83 K C 0.346 176.951 176.600 0.009 0.000 1.041 83 K CA 0.484 56.779 56.287 0.012 0.000 0.966 83 K CB 0.901 33.408 32.500 0.011 0.000 0.955 83 K HN 0.343 8.598 8.250 0.009 0.000 0.468 84 K N -1.844 118.559 120.400 0.006 0.000 2.520 84 K HA 0.019 4.341 4.320 0.003 0.000 0.256 84 K C -0.186 176.414 176.600 -0.000 0.000 1.033 84 K CA -0.758 55.531 56.287 0.003 0.000 1.007 84 K CB 1.091 33.592 32.500 0.002 0.000 1.330 84 K HN -0.132 8.122 8.250 0.006 0.000 0.507 85 I N 0.990 121.559 120.570 -0.003 0.000 2.439 85 I HA 0.126 4.291 4.170 -0.007 0.000 0.285 85 I C -1.306 174.806 176.117 -0.008 0.000 1.021 85 I CA -0.333 60.962 61.300 -0.007 0.000 1.091 85 I CB 0.461 38.456 38.000 -0.009 0.000 1.242 85 I HN -0.073 8.136 8.210 -0.002 0.000 0.439 86 E N 8.503 128.697 120.200 -0.009 0.000 3.303 86 E HA 0.038 4.381 4.350 -0.010 0.000 0.142 86 E C -1.988 174.604 176.600 -0.012 0.000 0.921 86 E CA 0.455 56.849 56.400 -0.009 0.000 1.460 86 E CB 1.190 30.886 29.700 -0.006 0.000 1.036 86 E HN 0.311 8.665 8.360 -0.010 0.000 0.407 87 N N -2.257 116.433 118.700 -0.017 0.000 2.143 87 N HA -0.025 4.702 4.740 -0.021 0.000 0.294 87 N C -0.085 175.407 175.510 -0.029 0.000 0.929 87 N CA 1.537 54.574 53.050 -0.022 0.000 0.723 87 N CB -0.001 38.473 38.487 -0.022 0.000 1.981 87 N HN -0.337 8.033 8.380 -0.017 0.000 0.854 88 L N 0.357 121.563 121.223 -0.028 0.000 2.261 88 L HA -0.289 4.026 4.340 -0.042 0.000 0.216 88 L C 1.541 178.389 176.870 -0.035 0.000 1.114 88 L CA 3.192 58.011 54.840 -0.034 0.000 0.777 88 L CB -0.450 41.591 42.059 -0.030 0.000 0.910 88 L HN 0.013 8.229 8.230 -0.023 0.000 0.440 89 D N -0.099 120.284 120.400 -0.029 0.000 2.077 89 D HA -0.257 4.365 4.640 -0.030 0.000 0.197 89 D C 1.955 178.236 176.300 -0.032 0.000 0.983 89 D CA 3.595 57.578 54.000 -0.029 0.000 0.841 89 D CB -0.095 40.691 40.800 -0.023 0.000 0.992 89 D HN 0.166 8.473 8.370 -0.026 0.048 0.450 90 A N -1.530 121.272 122.820 -0.030 0.000 1.908 90 A HA -0.240 4.062 4.320 -0.030 0.000 0.218 90 A C 2.518 180.077 177.584 -0.041 0.000 1.181 90 A CA 2.933 54.951 52.037 -0.032 0.000 0.627 90 A CB -0.348 18.635 19.000 -0.028 0.000 0.818 90 A HN 0.011 8.144 8.150 -0.027 0.000 0.445 91 V N -0.905 118.980 119.914 -0.047 0.000 2.343 91 V HA -0.449 3.630 4.120 -0.068 0.000 0.247 91 V C 2.276 178.331 176.094 -0.065 0.000 1.051 91 V CA 4.627 66.889 62.300 -0.062 0.000 1.036 91 V CB -0.240 31.542 31.823 -0.067 0.000 0.654 91 V HN -0.082 8.076 8.190 -0.042 0.006 0.451 92 A N -1.865 120.922 122.820 -0.055 0.000 2.119 92 A HA -0.223 4.059 4.320 -0.063 0.000 0.217 92 A C 1.354 178.909 177.584 -0.049 0.000 1.153 92 A CA 2.517 54.521 52.037 -0.055 0.000 0.692 92 A CB -0.753 18.218 19.000 -0.048 0.000 0.799 92 A HN 0.253 8.170 8.150 -0.049 0.204 0.458 93 D N -3.871 116.503 120.400 -0.044 0.000 2.327 93 D HA 0.034 4.652 4.640 -0.036 0.000 0.205 93 D C 1.357 177.634 176.300 -0.039 0.000 0.989 93 D CA 2.684 56.662 54.000 -0.038 0.000 0.873 93 D CB 1.082 41.863 40.800 -0.032 0.000 0.955 93 D HN -0.129 8.042 8.370 -0.043 0.173 0.515 94 T N -1.986 112.541 114.554 -0.046 0.000 3.010 94 T HA 0.103 4.429 4.350 -0.040 0.000 0.252 94 T C 0.377 175.040 174.700 -0.061 0.000 0.963 94 T CA 0.168 62.240 62.100 -0.047 0.000 0.952 94 T CB 1.311 70.153 68.868 -0.042 0.000 1.182 94 T HN -0.253 7.857 8.240 -0.050 0.100 0.495 95 L N 1.003 122.180 121.223 -0.076 0.000 2.367 95 L HA -0.082 4.374 4.340 -0.112 -0.183 0.215 95 L C -0.657 176.153 176.870 -0.099 0.000 1.197 95 L CA 1.615 56.392 54.840 -0.105 0.000 0.836 95 L CB 0.996 42.978 42.059 -0.128 0.000 1.242 95 L HN -0.112 7.963 8.230 -0.072 0.112 0.553 96 E N -4.141 115.984 120.200 -0.124 0.000 2.714 96 E HA 0.061 4.362 4.350 -0.081 0.000 0.240 96 E C -1.343 175.188 176.600 -0.115 0.000 1.102 96 E CA 0.740 57.082 56.400 -0.097 0.000 1.758 96 E CB 3.202 32.862 29.700 -0.067 0.000 2.849 96 E HN -0.225 8.035 8.360 -0.166 0.000 1.071 97 E N 1.555 121.650 120.200 -0.175 0.000 2.055 97 E HA 0.364 4.806 4.350 -0.057 -0.126 0.274 97 E C -1.964 174.366 176.600 -0.451 0.000 0.949 97 E CA -0.715 55.564 56.400 -0.201 0.000 0.775 97 E CB 1.662 31.270 29.700 -0.153 0.000 1.097 97 E HN -0.235 7.999 8.360 -0.210 0.000 0.404 98 L N 5.900 126.955 121.223 -0.281 0.000 2.337 98 L HA 0.356 4.473 4.340 -0.372 0.000 0.269 98 L C -2.258 174.614 176.870 0.004 0.000 1.018 98 L CA -1.168 53.525 54.840 -0.244 0.000 0.876 98 L CB 2.107 44.081 42.059 -0.142 0.000 1.236 98 L HN 0.711 8.840 8.230 -0.168 0.000 0.436 99 W N 5.074 126.395 121.300 0.034 0.000 2.342 99 W HA 0.357 5.193 4.660 0.293 0.000 0.310 99 W C -0.817 175.762 176.519 0.100 0.000 1.128 99 W CA -2.790 54.658 57.345 0.171 0.000 1.322 99 W CB -0.605 28.979 29.460 0.208 0.000 1.251 99 W HN 0.502 8.403 8.180 -0.465 0.000 0.439 100 I N -1.900 118.848 120.570 0.297 0.000 2.583 100 I HA 0.512 4.829 4.170 0.167 -0.046 0.276 100 I C -0.951 175.259 176.117 0.155 0.000 1.089 100 I CA -1.450 59.956 61.300 0.176 0.000 1.103 100 I CB -0.689 37.374 38.000 0.106 0.000 1.209 100 I HN 0.325 8.735 8.210 0.334 0.000 0.484 101 S N 7.237 123.025 115.700 0.147 0.000 2.351 101 S HA -0.315 4.195 4.470 0.066 0.000 0.220 101 S C -0.456 174.179 174.600 0.059 0.000 1.035 101 S CA 4.306 62.561 58.200 0.092 0.000 1.031 101 S CB 0.419 63.675 63.200 0.095 0.000 0.928 101 S HN -0.143 8.264 8.310 0.161 0.000 0.433 102 Y N 0.172 120.497 120.300 0.041 0.000 2.328 102 Y HA 0.315 5.008 4.550 0.033 -0.123 0.333 102 Y C -2.245 173.672 175.900 0.028 0.000 0.958 102 Y CA -1.600 56.518 58.100 0.030 0.000 1.167 102 Y CB 2.211 40.683 38.460 0.019 0.000 1.151 102 Y HN -0.151 8.122 8.280 0.224 0.141 0.470 103 N N 4.882 123.747 118.700 0.276 0.000 2.500 103 N HA 0.366 5.359 4.740 0.169 -0.151 0.291 103 N C -1.371 174.242 175.510 0.171 0.000 1.092 103 N CA -0.841 52.316 53.050 0.180 0.000 0.890 103 N CB 3.015 41.559 38.487 0.095 0.000 1.466 103 N HN 0.473 8.840 8.380 0.157 0.107 0.507 104 Q N 3.724 123.616 119.800 0.153 0.000 2.296 104 Q HA 0.536 5.035 4.340 0.139 -0.076 0.257 104 Q C -1.301 174.740 176.000 0.069 0.000 0.942 104 Q CA 0.025 55.899 55.803 0.119 0.000 0.939 104 Q CB 1.552 30.348 28.738 0.096 0.000 1.198 104 Q HN 0.360 8.709 8.270 0.133 0.000 0.429 105 I N 2.163 122.768 120.570 0.057 0.000 2.802 105 I HA 0.574 5.005 4.170 0.030 -0.243 0.298 105 I C -1.869 174.267 176.117 0.031 0.000 1.176 105 I CA -1.399 59.922 61.300 0.035 0.000 1.025 105 I CB 4.688 42.703 38.000 0.024 0.000 1.243 105 I HN 0.360 8.610 8.210 0.066 0.000 0.424 106 A N 2.343 125.176 122.820 0.022 0.000 2.671 106 A HA 0.350 4.684 4.320 0.024 0.000 0.265 106 A C -1.106 176.485 177.584 0.011 0.000 1.148 106 A CA -0.327 51.722 52.037 0.020 0.000 0.977 106 A CB 1.874 20.889 19.000 0.024 0.000 1.242 106 A HN 0.512 8.673 8.150 0.018 0.000 0.591 107 S N -0.332 115.371 115.700 0.005 0.000 2.422 107 S HA 0.186 4.656 4.470 0.000 0.000 0.308 107 S C 0.460 175.054 174.600 -0.010 0.000 1.097 107 S CA -1.276 56.923 58.200 -0.002 0.000 1.099 107 S CB 1.011 64.209 63.200 -0.003 0.000 0.976 107 S HN -0.574 7.740 8.310 0.006 0.000 0.471 108 L N 6.728 127.944 121.223 -0.013 0.000 2.042 108 L HA -0.358 3.963 4.340 -0.030 0.000 0.210 108 L C 1.519 178.372 176.870 -0.029 0.000 1.076 108 L CA 3.538 58.363 54.840 -0.024 0.000 0.749 108 L CB 0.034 42.079 42.059 -0.024 0.000 0.893 108 L HN 0.775 9.000 8.230 -0.008 0.000 0.432 109 S N -1.362 114.324 115.700 -0.023 0.000 2.368 109 S HA -0.245 4.208 4.470 -0.029 0.000 0.225 109 S C 2.336 176.920 174.600 -0.026 0.000 1.030 109 S CA 3.422 61.607 58.200 -0.025 0.000 0.999 109 S CB -1.019 62.170 63.200 -0.019 0.000 0.844 109 S HN 0.316 8.615 8.310 -0.018 0.000 0.459 110 G N 1.419 110.207 108.800 -0.021 0.000 2.446 110 G HA2 -0.234 3.712 3.960 -0.023 0.000 0.217 110 G HA3 -0.234 3.716 3.960 -0.016 0.000 0.217 110 G C 1.396 176.281 174.900 -0.026 0.000 1.168 110 G CA 1.968 47.055 45.100 -0.021 0.000 0.771 110 G HN 0.084 8.294 8.290 -0.017 0.070 0.551 111 I N 1.942 122.496 120.570 -0.027 0.000 2.090 111 I HA -0.624 3.530 4.170 -0.028 0.000 0.236 111 I C 1.494 177.586 176.117 -0.043 0.000 1.064 111 I CA 4.379 65.659 61.300 -0.033 0.000 1.324 111 I CB -0.136 37.840 38.000 -0.039 0.000 1.044 111 I HN -0.074 8.122 8.210 -0.024 0.000 0.399 112 E N -0.730 119.441 120.200 -0.048 0.000 2.187 112 E HA -0.544 3.770 4.350 -0.060 0.000 0.199 112 E C 2.497 179.069 176.600 -0.047 0.000 1.004 112 E CA 3.448 59.816 56.400 -0.052 0.000 0.813 112 E CB -0.296 29.373 29.700 -0.051 0.000 0.736 112 E HN -0.126 8.206 8.360 -0.047 0.000 0.468 113 K N -1.380 118.995 120.400 -0.041 0.000 1.991 113 K HA -0.171 4.124 4.320 -0.041 0.000 0.208 113 K C 2.511 179.084 176.600 -0.046 0.000 1.038 113 K CA 2.735 58.997 56.287 -0.041 0.000 0.943 113 K CB 0.127 32.606 32.500 -0.036 0.000 0.736 113 K HN -0.192 7.918 8.250 -0.038 0.118 0.440 114 L N -3.118 118.079 121.223 -0.044 0.000 2.187 114 L HA -0.250 4.055 4.340 -0.058 0.000 0.213 114 L C 2.182 179.019 176.870 -0.055 0.000 1.100 114 L CA 3.044 57.854 54.840 -0.051 0.000 0.765 114 L CB -0.816 41.217 42.059 -0.043 0.000 0.904 114 L HN -0.238 7.968 8.230 -0.039 0.000 0.437 115 V N -2.545 117.339 119.914 -0.050 0.000 2.346 115 V HA -0.438 3.650 4.120 -0.054 0.000 0.244 115 V C 1.601 177.662 176.094 -0.055 0.000 1.037 115 V CA 4.155 66.424 62.300 -0.052 0.000 1.029 115 V CB 0.058 31.852 31.823 -0.048 0.000 0.663 115 V HN 0.313 8.348 8.190 -0.046 0.127 0.454 116 N N -2.094 116.574 118.700 -0.053 0.000 2.443 116 N HA -0.266 4.444 4.740 -0.050 0.000 0.184 116 N C 1.622 177.101 175.510 -0.051 0.000 1.037 116 N CA 1.912 54.932 53.050 -0.050 0.000 0.896 116 N CB 0.145 38.603 38.487 -0.047 0.000 0.959 116 N HN -0.540 7.689 8.380 -0.051 0.120 0.442 117 L N -1.085 120.104 121.223 -0.057 0.000 1.952 117 L HA -0.307 4.147 4.340 -0.056 -0.147 0.236 117 L C 1.194 178.028 176.870 -0.060 0.000 1.092 117 L CA 2.721 57.524 54.840 -0.061 0.000 0.817 117 L CB 0.114 42.127 42.059 -0.075 0.000 0.907 117 L HN -0.309 7.728 8.230 -0.058 0.159 0.438 118 R N -6.760 113.698 120.500 -0.070 0.000 5.238 118 R HA 0.094 4.575 4.340 -0.049 -0.170 0.061 118 R C -2.014 174.239 176.300 -0.078 0.000 0.721 118 R CA -0.007 56.057 56.100 -0.061 0.000 1.410 118 R CB 2.147 32.417 30.300 -0.051 0.000 1.353 118 R HN -0.400 7.821 8.270 -0.083 0.000 0.401 119 V N 0.824 120.673 119.914 -0.109 0.000 2.447 119 V HA 0.764 5.028 4.120 -0.177 -0.250 0.292 119 V C -2.590 173.314 176.094 -0.317 0.000 1.021 119 V CA -2.709 59.474 62.300 -0.194 0.000 0.850 119 V CB 1.878 33.612 31.823 -0.147 0.000 1.005 119 V HN -0.191 7.938 8.190 -0.101 0.000 0.426 120 L N 4.376 125.387 121.223 -0.354 0.000 2.362 120 L HA 1.023 5.428 4.340 -0.260 -0.221 0.271 120 L C -1.989 174.656 176.870 -0.374 0.000 1.002 120 L CA -2.236 52.424 54.840 -0.300 0.000 0.818 120 L CB 2.930 44.916 42.059 -0.122 0.000 1.298 120 L HN 0.341 8.404 8.230 -0.278 0.000 0.420 121 Y N 0.720 121.098 120.300 0.130 0.000 2.345 121 Y HA 0.445 5.025 4.550 0.049 0.000 0.331 121 Y C -0.975 174.957 175.900 0.054 0.000 0.959 121 Y CA -1.484 56.665 58.100 0.082 0.000 1.204 121 Y CB 1.472 39.983 38.460 0.086 0.000 1.135 121 Y HN 0.480 8.791 8.280 0.051 0.000 0.477 122 M N 4.021 123.720 119.600 0.166 0.000 1.998 122 M HA 0.599 5.394 4.480 0.071 -0.272 0.289 122 M C -0.421 175.885 176.300 0.009 0.000 0.886 122 M CA -0.946 54.396 55.300 0.069 0.000 0.853 122 M CB 1.101 33.726 32.600 0.042 0.000 1.462 122 M HN 0.669 8.947 8.290 0.171 0.115 0.375 123 S N 2.397 118.084 115.700 -0.022 0.000 2.593 123 S HA -0.001 4.507 4.470 -0.075 -0.083 0.217 123 S C -0.353 174.127 174.600 -0.200 0.000 0.966 123 S CA 0.802 58.951 58.200 -0.086 0.000 0.914 123 S CB 0.342 63.502 63.200 -0.068 0.000 0.776 123 S HN 0.612 8.927 8.310 0.008 0.000 0.523 124 N N 0.560 119.078 118.700 -0.303 0.000 2.679 124 N HA 0.200 4.682 4.740 -0.535 -0.064 0.240 124 N C -2.147 173.017 175.510 -0.578 0.000 1.537 124 N CA -0.003 52.628 53.050 -0.698 0.000 0.793 124 N CB 1.700 39.303 38.487 -1.475 0.000 1.391 124 N HN -0.119 8.078 8.380 -0.200 0.063 0.524 125 N N 0.691 119.261 118.700 -0.217 0.000 2.509 125 N HA 0.360 5.363 4.740 -0.002 -0.265 0.287 125 N C -1.796 173.719 175.510 0.008 0.000 1.121 125 N CA -0.829 52.192 53.050 -0.050 0.000 0.977 125 N CB 1.724 40.210 38.487 -0.002 0.000 1.167 125 N HN 0.262 8.543 8.380 -0.165 0.000 0.476 126 K N 1.271 121.720 120.400 0.082 0.000 2.354 126 K HA 0.297 4.674 4.320 0.095 0.000 0.257 126 K C -2.060 174.584 176.600 0.073 0.000 1.062 126 K CA -0.890 55.458 56.287 0.101 0.000 0.971 126 K CB 0.302 32.888 32.500 0.144 0.000 1.305 126 K HN 0.568 8.775 8.250 0.099 0.103 0.449 127 I N 5.629 126.239 120.570 0.066 0.000 2.548 127 I HA 0.365 4.684 4.170 0.050 -0.119 0.287 127 I C -1.318 174.846 176.117 0.078 0.000 1.103 127 I CA -0.740 60.593 61.300 0.055 0.000 1.049 127 I CB 4.133 42.150 38.000 0.030 0.000 1.232 127 I HN -0.323 7.930 8.210 0.072 0.000 0.429 128 T N 1.637 116.239 114.554 0.081 0.000 3.339 128 T HA 0.139 4.575 4.350 0.144 0.000 0.292 128 T C -0.511 174.260 174.700 0.119 0.000 1.012 128 T CA -0.646 61.521 62.100 0.111 0.000 0.937 128 T CB 0.355 69.278 68.868 0.091 0.000 1.164 128 T HN 0.241 8.521 8.240 0.065 0.000 0.509 129 N N 0.813 119.571 118.700 0.096 0.000 2.558 129 N HA 0.105 4.908 4.740 0.104 0.000 0.281 129 N C 0.215 175.798 175.510 0.121 0.000 1.219 129 N CA -1.237 51.867 53.050 0.091 0.000 0.942 129 N CB -0.400 38.111 38.487 0.040 0.000 1.241 129 N HN -0.385 8.037 8.380 0.069 0.000 0.511 130 W N 0.192 121.488 121.300 -0.007 0.000 2.290 130 W HA -0.423 4.209 4.660 -0.046 0.000 0.323 130 W C 1.776 178.279 176.519 -0.026 0.000 1.260 130 W CA 4.020 61.349 57.345 -0.027 0.000 1.266 130 W CB -0.057 29.395 29.460 -0.014 0.000 1.149 130 W HN 0.024 8.299 8.180 0.313 0.093 0.482 131 G N -5.195 103.893 108.800 0.480 0.000 2.606 131 G HA2 -0.425 3.804 3.960 0.448 0.000 0.223 131 G HA3 -0.425 3.664 3.960 0.216 0.000 0.223 131 G C 0.259 175.267 174.900 0.181 0.000 1.106 131 G CA 2.103 47.404 45.100 0.334 0.000 0.745 131 G HN 0.378 8.918 8.290 0.417 0.000 0.597 132 E N -0.826 119.423 120.200 0.082 0.000 2.905 132 E HA 0.115 4.466 4.350 0.001 0.000 0.197 132 E C 1.819 178.367 176.600 -0.086 0.000 1.016 132 E CA 0.287 56.687 56.400 -0.001 0.000 1.307 132 E CB 1.483 31.188 29.700 0.008 0.000 1.255 132 E HN -0.473 7.795 8.360 0.092 0.147 0.527 133 I N 1.085 121.604 120.570 -0.084 0.000 2.248 133 I HA -0.564 3.541 4.170 -0.109 0.000 0.248 133 I C 1.699 177.655 176.117 -0.269 0.000 1.107 133 I CA 4.205 65.424 61.300 -0.134 0.000 1.373 133 I CB -0.217 37.729 38.000 -0.090 0.000 1.055 133 I HN 0.095 8.285 8.210 -0.034 0.000 0.418 134 D N -0.192 119.933 120.400 -0.459 0.000 2.126 134 D HA -0.298 3.842 4.640 -0.833 0.000 0.190 134 D C 1.260 177.206 176.300 -0.590 0.000 1.001 134 D CA 3.132 56.606 54.000 -0.877 0.000 0.841 134 D CB 0.070 39.666 40.800 -2.007 0.000 0.949 134 D HN -0.396 7.630 8.370 -0.368 0.124 0.446 135 K N -3.095 117.048 120.400 -0.429 0.000 2.190 135 K HA -0.069 4.069 4.320 -0.303 0.000 0.202 135 K C 2.024 178.513 176.600 -0.184 0.000 1.045 135 K CA 2.155 58.275 56.287 -0.279 0.000 0.976 135 K CB 1.273 33.652 32.500 -0.202 0.000 0.849 135 K HN -0.725 7.293 8.250 -0.386 0.000 0.468 136 L N -1.656 119.478 121.223 -0.149 0.000 2.263 136 L HA -0.225 4.064 4.340 -0.085 0.000 0.216 136 L C 1.563 178.372 176.870 -0.102 0.000 1.111 136 L CA 2.044 56.824 54.840 -0.101 0.000 0.773 136 L CB -1.462 40.551 42.059 -0.076 0.000 0.906 136 L HN 0.369 8.505 8.230 -0.155 0.000 0.439 137 A N -3.221 119.522 122.820 -0.129 0.000 2.916 137 A HA -0.047 4.222 4.320 -0.085 0.000 0.254 137 A C -1.515 176.009 177.584 -0.101 0.000 1.544 137 A CA -1.256 50.717 52.037 -0.107 0.000 1.224 137 A CB -1.957 16.971 19.000 -0.120 0.000 1.012 137 A HN -0.442 7.562 8.150 -0.168 0.046 0.636 138 A N -2.901 119.864 122.820 -0.092 0.000 2.783 138 A HA -0.375 3.899 4.320 -0.077 0.000 0.292 138 A C -0.206 177.320 177.584 -0.096 0.000 1.495 138 A CA 0.843 52.831 52.037 -0.082 0.000 0.787 138 A CB -1.814 17.147 19.000 -0.065 0.000 1.017 138 A HN -0.003 7.994 8.150 -0.088 0.100 0.516 139 L N -3.232 117.913 121.223 -0.129 0.000 2.376 139 L HA -0.190 4.073 4.340 -0.128 0.000 0.219 139 L C -0.230 176.552 176.870 -0.147 0.000 1.133 139 L CA 1.827 56.573 54.840 -0.156 0.000 0.816 139 L CB 0.165 42.080 42.059 -0.239 0.000 0.933 139 L HN -0.417 7.717 8.230 -0.141 0.011 0.449 140 D N -4.888 115.439 120.400 -0.122 0.000 2.491 140 D HA 0.137 4.707 4.640 -0.117 0.000 0.228 140 D C -0.672 175.583 176.300 -0.074 0.000 1.183 140 D CA 0.730 54.668 54.000 -0.103 0.000 0.827 140 D CB 0.023 40.768 40.800 -0.092 0.000 0.989 140 D HN 0.019 8.281 8.370 -0.115 0.039 0.494 141 K N -3.285 117.074 120.400 -0.069 0.000 2.907 141 K HA 0.010 4.302 4.320 -0.045 0.000 0.175 141 K C -0.618 175.955 176.600 -0.044 0.000 1.860 141 K CA 0.359 56.615 56.287 -0.051 0.000 1.404 141 K CB 2.504 34.976 32.500 -0.047 0.000 2.100 141 K HN -0.747 7.369 8.250 -0.077 0.088 0.616 142 L N 1.692 122.885 121.223 -0.049 0.000 3.088 142 L HA -0.384 3.930 4.340 -0.043 0.000 0.376 142 L C 0.285 177.137 176.870 -0.030 0.000 1.239 142 L CA 1.978 56.793 54.840 -0.042 0.000 0.807 142 L CB 0.182 42.216 42.059 -0.042 0.000 1.047 142 L HN -0.121 8.073 8.230 -0.059 0.000 0.635 143 E N 2.101 122.284 120.200 -0.029 0.000 2.045 143 E HA -0.109 4.232 4.350 -0.016 0.000 0.195 143 E C -0.514 176.078 176.600 -0.014 0.000 0.953 143 E CA 2.586 58.974 56.400 -0.021 0.000 0.859 143 E CB 1.274 30.960 29.700 -0.024 0.000 0.854 143 E HN 0.410 8.749 8.360 -0.036 0.000 0.471 144 D N -2.884 117.500 120.400 -0.027 0.000 2.649 144 D HA 0.649 5.458 4.640 0.007 -0.164 0.249 144 D C -1.442 174.825 176.300 -0.054 0.000 1.112 144 D CA -0.362 53.624 54.000 -0.022 0.000 0.850 144 D CB 2.854 43.639 40.800 -0.024 0.000 1.399 144 D HN -0.236 8.109 8.370 -0.042 0.000 0.503 145 L N -2.582 118.636 121.223 -0.009 0.000 2.565 145 L HA 0.937 5.475 4.340 -0.085 -0.249 0.261 145 L C -2.895 174.021 176.870 0.076 0.000 0.932 145 L CA -0.951 53.884 54.840 -0.008 0.000 0.878 145 L CB 3.778 45.839 42.059 0.004 0.000 1.333 145 L HN 0.934 9.183 8.230 0.031 0.000 0.409 146 L N 3.282 124.581 121.223 0.127 0.000 2.282 146 L HA 0.446 4.861 4.340 0.123 0.000 0.288 146 L C -2.334 174.593 176.870 0.095 0.000 1.033 146 L CA -1.429 53.508 54.840 0.161 0.000 0.807 146 L CB 2.345 44.589 42.059 0.308 0.000 1.209 146 L HN 0.668 8.957 8.230 0.099 0.000 0.423 147 L N 7.928 129.175 121.223 0.039 0.000 2.388 147 L HA 0.667 5.259 4.340 0.023 -0.239 0.267 147 L C -0.894 175.887 176.870 -0.148 0.000 0.995 147 L CA -0.750 54.092 54.840 0.004 0.000 0.864 147 L CB 1.443 43.590 42.059 0.146 0.000 1.216 147 L HN 0.714 9.332 8.230 0.021 -0.375 0.430 148 A N 3.251 126.000 122.820 -0.120 0.000 3.410 148 A HA 0.321 4.495 4.320 -0.243 0.000 0.276 148 A C -1.533 175.971 177.584 -0.134 0.000 0.995 148 A CA -0.643 51.297 52.037 -0.163 0.000 0.934 148 A CB 1.158 20.081 19.000 -0.127 0.000 1.191 148 A HN 0.556 8.661 8.150 -0.075 0.000 0.511 149 G N -0.039 108.689 108.800 -0.120 0.000 2.348 149 G HA2 -0.119 3.785 3.960 -0.094 0.000 0.196 149 G HA3 -0.119 3.955 3.960 -0.186 -0.226 0.196 149 G C -2.908 171.932 174.900 -0.101 0.000 2.862 149 G CA 0.505 45.529 45.100 -0.127 0.000 0.802 149 G HN -0.360 7.867 8.290 -0.104 0.000 0.500 150 N N 1.057 119.747 118.700 -0.017 0.000 4.107 150 N HA 0.463 5.297 4.740 0.013 -0.087 0.213 150 N C -2.644 172.922 175.510 0.092 0.000 1.216 150 N CA -0.716 52.355 53.050 0.034 0.000 0.925 150 N CB -0.002 38.519 38.487 0.057 0.000 1.541 150 N HN -0.036 8.657 8.380 0.001 -0.313 0.524 151 P HA -0.067 4.414 4.420 0.102 0.000 0.217 151 P C 0.803 178.208 177.300 0.175 0.000 1.151 151 P CA 2.087 65.257 63.100 0.117 0.000 0.828 151 P CB 0.746 32.506 31.700 0.100 0.000 0.788 152 L N -1.067 120.278 121.223 0.203 0.000 1.943 152 L HA -0.425 4.181 4.340 0.444 0.000 0.215 152 L C 1.979 179.110 176.870 0.436 0.000 1.074 152 L CA 4.191 59.239 54.840 0.346 0.000 0.759 152 L CB -0.357 41.807 42.059 0.174 0.000 0.888 152 L HN -0.346 7.978 8.230 0.155 0.000 0.433 153 Y N -1.558 118.856 120.300 0.191 0.000 2.128 153 Y HA -0.483 4.177 4.550 0.185 0.000 0.284 153 Y C 2.256 178.232 175.900 0.127 0.000 1.154 153 Y CA 3.545 61.722 58.100 0.129 0.000 1.149 153 Y CB -0.456 37.998 38.460 -0.010 0.000 0.976 153 Y HN -0.220 8.418 8.280 0.301 -0.177 0.505 154 N N -1.996 116.886 118.700 0.304 0.000 2.272 154 N HA -0.393 4.440 4.740 0.154 0.000 0.185 154 N C 1.949 177.544 175.510 0.142 0.000 1.014 154 N CA 3.261 56.414 53.050 0.171 0.000 0.870 154 N CB -0.286 38.260 38.487 0.099 0.000 0.975 154 N HN -0.257 8.476 8.380 0.270 -0.191 0.433 155 D N -0.363 120.132 120.400 0.158 0.000 2.117 155 D HA -0.168 4.495 4.640 0.037 0.000 0.198 155 D C 1.254 177.571 176.300 0.029 0.000 0.982 155 D CA 2.836 56.878 54.000 0.070 0.000 0.828 155 D CB -0.037 40.802 40.800 0.064 0.000 0.967 155 D HN -0.121 8.145 8.370 0.212 0.231 0.464 156 Y N -1.145 119.100 120.300 -0.091 0.000 2.070 156 Y HA -0.322 4.011 4.550 -0.361 0.000 0.280 156 Y C -0.033 175.836 175.900 -0.052 0.000 1.148 156 Y CA 2.386 60.387 58.100 -0.165 0.000 1.125 156 Y CB 1.235 39.670 38.460 -0.043 0.000 0.975 156 Y HN -0.554 7.816 8.280 0.285 0.082 0.492 157 K N -4.273 116.187 120.400 0.100 0.000 2.132 157 K HA 0.098 4.407 4.320 -0.019 0.000 0.377 157 K C -0.699 175.959 176.600 0.096 0.000 1.694 157 K CA 0.132 56.426 56.287 0.012 0.000 1.105 157 K CB -0.377 32.059 32.500 -0.105 0.000 1.396 157 K HN -0.298 8.117 8.250 0.275 0.000 0.463 158 E N 4.234 124.477 120.200 0.071 0.000 2.242 158 E HA -0.534 3.838 4.350 0.037 0.000 0.247 158 E C 0.005 176.602 176.600 -0.004 0.000 1.056 158 E CA 3.325 59.743 56.400 0.031 0.000 0.999 158 E CB 0.021 29.724 29.700 0.005 0.000 0.891 158 E HN 0.231 8.624 8.360 0.055 0.000 0.512 159 N N -4.735 113.962 118.700 -0.006 0.000 2.535 159 N HA 0.051 4.775 4.740 -0.026 0.000 0.294 159 N C -1.587 173.929 175.510 0.011 0.000 1.408 159 N CA -0.756 52.287 53.050 -0.012 0.000 0.927 159 N CB 0.118 38.592 38.487 -0.021 0.000 1.276 159 N HN -0.128 8.250 8.380 -0.004 0.000 0.505 160 N N -0.993 117.724 118.700 0.028 0.000 2.486 160 N HA 0.051 4.803 4.740 0.020 0.000 0.242 160 N C -0.145 175.399 175.510 0.056 0.000 1.083 160 N CA 1.121 54.184 53.050 0.021 0.000 0.844 160 N CB 2.444 40.921 38.487 -0.016 0.000 1.527 160 N HN -0.159 8.077 8.380 0.044 0.171 0.462 161 A N -0.903 121.976 122.820 0.097 0.000 2.197 161 A HA 0.371 4.794 4.320 0.171 0.000 0.210 161 A C 1.025 178.830 177.584 0.368 0.000 1.180 161 A CA 1.771 53.932 52.037 0.208 0.000 0.846 161 A CB 0.985 20.060 19.000 0.125 0.000 0.884 161 A HN -0.408 7.800 8.150 0.095 0.000 0.487 162 T N 1.449 116.194 114.554 0.318 0.000 2.720 162 T HA -0.436 4.247 4.350 0.555 0.000 0.268 162 T C 1.918 176.789 174.700 0.285 0.000 1.037 162 T CA 4.488 66.780 62.100 0.321 0.000 1.144 162 T CB -0.578 68.283 68.868 -0.013 0.000 0.864 162 T HN -0.517 7.860 8.240 0.229 0.000 0.444 163 S N 0.458 116.270 115.700 0.187 0.000 2.399 163 S HA -0.402 4.150 4.470 0.137 0.000 0.231 163 S C 1.522 176.243 174.600 0.202 0.000 1.022 163 S CA 3.745 62.038 58.200 0.155 0.000 0.983 163 S CB -0.297 62.962 63.200 0.098 0.000 0.803 163 S HN 0.318 8.716 8.310 0.147 0.000 0.480 164 E N 2.519 122.872 120.200 0.255 0.000 2.150 164 E HA -0.245 4.218 4.350 0.188 0.000 0.193 164 E C 2.079 178.888 176.600 0.348 0.000 0.985 164 E CA 2.407 58.971 56.400 0.273 0.000 0.814 164 E CB -0.634 29.251 29.700 0.308 0.000 0.752 164 E HN -0.131 8.258 8.360 0.257 0.124 0.466 165 Y N 0.739 121.165 120.300 0.210 0.000 2.114 165 Y HA -0.307 4.318 4.550 0.125 0.000 0.284 165 Y C 2.295 178.267 175.900 0.120 0.000 1.143 165 Y CA 3.214 61.415 58.100 0.170 0.000 1.135 165 Y CB -0.171 38.444 38.460 0.260 0.000 0.980 165 Y HN 0.144 8.662 8.280 0.620 0.135 0.499 166 R N -0.850 119.822 120.500 0.286 0.000 2.081 166 R HA -0.368 4.056 4.340 0.141 0.000 0.235 166 R C 2.518 178.880 176.300 0.102 0.000 1.131 166 R CA 2.939 59.134 56.100 0.159 0.000 0.960 166 R CB -0.515 29.866 30.300 0.136 0.000 0.856 166 R HN -0.335 8.140 8.270 0.340 0.000 0.436 167 I N -0.709 119.928 120.570 0.110 0.000 2.226 167 I HA -0.490 3.716 4.170 0.060 0.000 0.245 167 I C 1.697 177.845 176.117 0.051 0.000 1.100 167 I CA 4.679 66.024 61.300 0.075 0.000 1.374 167 I CB -0.115 37.935 38.000 0.083 0.000 1.057 167 I HN 0.255 8.553 8.210 0.146 0.000 0.413 168 E N 0.092 120.322 120.200 0.049 0.000 2.150 168 E HA -0.330 4.022 4.350 0.004 0.000 0.193 168 E C 2.431 179.011 176.600 -0.033 0.000 0.985 168 E CA 2.976 59.372 56.400 -0.006 0.000 0.814 168 E CB -0.087 29.579 29.700 -0.056 0.000 0.752 168 E HN 0.108 8.332 8.360 0.088 0.189 0.466 169 V N 1.130 121.032 119.914 -0.020 0.000 2.216 169 V HA -0.582 3.505 4.120 -0.055 0.000 0.243 169 V C 2.013 178.102 176.094 -0.008 0.000 1.044 169 V CA 4.391 66.678 62.300 -0.023 0.000 0.995 169 V CB 0.034 31.864 31.823 0.012 0.000 0.633 169 V HN 0.167 8.140 8.190 0.013 0.225 0.446 170 V N -1.327 118.593 119.914 0.011 0.000 2.469 170 V HA -0.491 3.633 4.120 0.007 0.000 0.251 170 V C 1.671 177.768 176.094 0.005 0.000 1.064 170 V CA 3.242 65.548 62.300 0.010 0.000 1.066 170 V CB -0.274 31.560 31.823 0.019 0.000 0.667 170 V HN -0.293 7.911 8.190 0.024 0.000 0.461 171 K N -0.810 119.593 120.400 0.005 0.000 1.967 171 K HA -0.296 4.028 4.320 0.006 0.000 0.212 171 K C 2.443 179.039 176.600 -0.007 0.000 1.044 171 K CA 3.298 59.587 56.287 0.003 0.000 0.942 171 K CB 0.078 32.583 32.500 0.007 0.000 0.726 171 K HN -0.128 8.035 8.250 0.009 0.092 0.440 172 R N -5.148 115.342 120.500 -0.017 0.000 2.225 172 R HA -0.066 4.264 4.340 -0.017 0.000 0.194 172 R C 0.568 176.850 176.300 -0.031 0.000 0.957 172 R CA 0.065 56.151 56.100 -0.024 0.000 1.042 172 R CB 1.213 31.495 30.300 -0.030 0.000 1.004 172 R HN -0.321 7.937 8.270 -0.021 0.000 0.509 173 L N 0.740 121.941 121.223 -0.038 0.000 2.281 173 L HA 0.212 4.525 4.340 -0.045 0.000 0.285 173 L C -1.785 175.070 176.870 -0.025 0.000 1.074 173 L CA -1.944 52.871 54.840 -0.041 0.000 0.817 173 L CB -0.111 41.915 42.059 -0.055 0.000 1.168 173 L HN -0.456 7.671 8.230 -0.038 0.080 0.434 174 P HA 0.062 4.476 4.420 -0.012 0.000 0.213 174 P C 0.648 177.939 177.300 -0.014 0.000 1.156 174 P CA 1.216 64.307 63.100 -0.016 0.000 0.884 174 P CB 0.476 32.166 31.700 -0.016 0.000 0.774 175 N N -1.469 117.219 118.700 -0.019 0.000 2.009 175 N HA -0.193 4.539 4.740 -0.013 0.000 0.195 175 N C 0.877 176.379 175.510 -0.014 0.000 1.076 175 N CA 1.435 54.475 53.050 -0.017 0.000 0.863 175 N CB -0.293 38.180 38.487 -0.023 0.000 1.062 175 N HN -0.120 8.247 8.380 -0.023 0.000 0.425 176 L N 1.127 122.338 121.223 -0.019 0.000 3.257 176 L HA -0.356 4.322 4.340 -0.010 -0.344 0.317 176 L C 0.189 177.060 176.870 0.002 0.000 0.906 176 L CA 0.716 55.549 54.840 -0.012 0.000 1.032 176 L CB -0.979 41.066 42.059 -0.022 0.000 1.616 176 L HN -0.199 8.015 8.230 -0.027 0.000 0.447 177 K N 3.256 123.660 120.400 0.007 0.000 2.284 177 K HA -0.042 4.286 4.320 0.014 0.000 0.198 177 K C -0.152 176.464 176.600 0.028 0.000 1.048 177 K CA 1.079 57.376 56.287 0.015 0.000 0.987 177 K CB 1.341 33.849 32.500 0.014 0.000 0.800 177 K HN -0.201 8.051 8.250 0.003 0.000 0.486 178 K N -0.814 119.606 120.400 0.032 0.000 2.752 178 K HA 0.289 4.641 4.320 0.054 0.000 0.199 178 K C -2.415 174.222 176.600 0.063 0.000 1.069 178 K CA -1.420 54.897 56.287 0.051 0.000 1.033 178 K CB 1.076 33.611 32.500 0.058 0.000 1.229 178 K HN -0.293 7.971 8.250 0.023 0.000 0.572 179 L N 4.368 125.638 121.223 0.079 0.000 2.449 179 L HA 0.167 4.569 4.340 0.103 0.000 0.255 179 L C -0.568 176.403 176.870 0.168 0.000 1.167 179 L CA -0.710 54.201 54.840 0.119 0.000 1.090 179 L CB -0.517 41.612 42.059 0.117 0.000 1.385 179 L HN 0.128 8.402 8.230 0.074 0.000 0.411 180 D N 4.067 124.547 120.400 0.133 0.000 3.187 180 D HA -0.256 4.424 4.640 0.067 0.000 0.244 180 D C -0.583 175.762 176.300 0.076 0.000 1.114 180 D CA 1.075 55.132 54.000 0.095 0.000 0.920 180 D CB -0.005 40.857 40.800 0.103 0.000 0.970 180 D HN 0.251 8.690 8.370 0.114 0.000 0.418 181 G N -1.800 107.037 108.800 0.062 0.000 3.026 181 G HA2 -0.090 3.907 3.960 0.062 0.000 0.208 181 G HA3 -0.090 3.898 3.960 0.047 0.000 0.208 181 G C 1.512 176.424 174.900 0.021 0.000 1.169 181 G CA -0.234 44.895 45.100 0.049 0.000 0.788 181 G HN 0.491 8.822 8.290 0.067 0.000 0.533 182 M N 1.445 121.044 119.600 -0.001 0.000 2.082 182 M HA -0.217 4.248 4.480 -0.024 0.000 0.258 182 M C -0.826 175.462 176.300 -0.019 0.000 1.069 182 M CA 4.130 59.414 55.300 -0.026 0.000 1.102 182 M CB -2.192 30.371 32.600 -0.062 0.000 1.336 182 M HN -0.075 8.120 8.290 -0.002 0.093 0.404 183 P HA 0.088 4.503 4.420 -0.007 0.000 0.249 183 P C -0.609 176.704 177.300 0.022 0.000 1.241 183 P CA 0.110 63.213 63.100 0.004 0.000 0.781 183 P CB -0.350 31.359 31.700 0.015 0.000 1.088 184 V N -1.234 118.695 119.914 0.024 0.000 2.216 184 V HA -0.414 3.729 4.120 0.038 0.000 0.243 184 V C 0.507 176.612 176.094 0.018 0.000 1.044 184 V CA 2.987 65.304 62.300 0.028 0.000 0.995 184 V CB 0.190 32.029 31.823 0.027 0.000 0.633 184 V HN -0.491 7.500 8.190 0.019 0.210 0.446 185 D N -2.715 117.691 120.400 0.010 0.000 2.697 185 D HA -0.362 4.279 4.640 0.001 0.000 0.238 185 D C -0.775 175.529 176.300 0.008 0.000 1.152 185 D CA 1.077 55.080 54.000 0.005 0.000 0.666 185 D CB -1.026 39.776 40.800 0.003 0.000 1.037 185 D HN 0.105 8.480 8.370 0.008 0.000 0.423 186 V N -4.166 115.754 119.914 0.010 0.000 3.669 186 V HA -0.421 3.705 4.120 0.012 0.000 0.202 186 V C -1.030 175.072 176.094 0.013 0.000 0.483 186 V CA 1.754 64.060 62.300 0.010 0.000 1.003 186 V CB -0.023 31.804 31.823 0.007 0.000 1.111 186 V HN 0.006 8.202 8.190 0.010 0.000 1.168 187 D N 0.045 120.456 120.400 0.017 0.000 2.392 187 D HA 0.001 4.651 4.640 0.017 0.000 0.206 187 D C 1.229 177.544 176.300 0.025 0.000 1.046 187 D CA 0.940 54.953 54.000 0.020 0.000 0.865 187 D CB 0.757 41.571 40.800 0.023 0.000 0.969 187 D HN 0.022 8.234 8.370 0.018 0.170 0.509 188 E N 0.210 120.426 120.200 0.028 0.000 2.209 188 E HA -0.313 4.059 4.350 0.038 0.000 0.196 188 E C 0.351 176.966 176.600 0.025 0.000 0.993 188 E CA 2.581 58.999 56.400 0.031 0.000 0.819 188 E CB -0.625 29.094 29.700 0.032 0.000 0.745 188 E HN 0.291 8.667 8.360 0.026 0.000 0.477 189 R N -4.983 115.529 120.500 0.020 0.000 2.313 189 R HA -0.075 4.275 4.340 0.016 0.000 0.199 189 R C 0.294 176.603 176.300 0.016 0.000 0.958 189 R CA 0.367 56.477 56.100 0.016 0.000 1.047 189 R CB -0.236 30.072 30.300 0.013 0.000 0.955 189 R HN -0.028 8.222 8.270 0.019 0.032 0.481 190 E N -0.795 119.416 120.200 0.018 0.000 2.629 190 E HA 0.194 4.553 4.350 0.015 0.000 0.197 190 E C 1.168 177.780 176.600 0.021 0.000 0.955 190 E CA 1.333 57.743 56.400 0.017 0.000 1.191 190 E CB 1.516 31.226 29.700 0.016 0.000 1.175 190 E HN 0.182 8.334 8.360 0.021 0.221 0.501 191 Q N 0.801 120.617 119.800 0.026 0.000 2.046 191 Q HA -0.185 4.172 4.340 0.028 0.000 0.200 191 Q C 2.147 178.167 176.000 0.034 0.000 0.975 191 Q CA 3.515 59.337 55.803 0.031 0.000 0.836 191 Q CB 0.234 28.996 28.738 0.039 0.000 0.896 191 Q HN 0.342 8.870 8.270 0.026 -0.243 0.428 192 A N -2.197 120.644 122.820 0.035 0.000 2.119 192 A HA -0.270 4.072 4.320 0.038 0.000 0.217 192 A C 1.660 179.259 177.584 0.025 0.000 1.153 192 A CA 2.956 55.014 52.037 0.034 0.000 0.692 192 A CB -0.890 18.132 19.000 0.036 0.000 0.799 192 A HN -0.202 7.969 8.150 0.036 0.000 0.458 193 N N -2.004 116.709 118.700 0.022 0.000 2.207 193 N HA -0.193 4.556 4.740 0.016 0.000 0.182 193 N C 1.894 177.414 175.510 0.016 0.000 1.020 193 N CA 3.181 56.241 53.050 0.017 0.000 0.858 193 N CB -0.247 38.249 38.487 0.015 0.000 0.991 193 N HN -0.305 7.939 8.380 0.023 0.151 0.427 194 V N 0.477 120.401 119.914 0.018 0.000 2.548 194 V HA -0.355 3.774 4.120 0.014 0.000 0.249 194 V C 1.755 177.860 176.094 0.018 0.000 1.055 194 V CA 3.946 66.256 62.300 0.017 0.000 1.065 194 V CB -0.364 31.470 31.823 0.017 0.000 0.681 194 V HN -0.061 8.140 8.190 0.020 0.000 0.462 195 A N -1.301 121.533 122.820 0.022 0.000 1.970 195 A HA -0.117 4.217 4.320 0.023 0.000 0.216 195 A C 2.549 180.144 177.584 0.019 0.000 1.170 195 A CA 2.697 54.748 52.037 0.024 0.000 0.645 195 A CB -0.612 18.407 19.000 0.033 0.000 0.816 195 A HN 0.096 8.167 8.150 0.025 0.094 0.447 196 R N -1.241 119.270 120.500 0.018 0.000 2.066 196 R HA -0.250 4.097 4.340 0.012 0.000 0.232 196 R C 2.176 178.483 176.300 0.011 0.000 1.131 196 R CA 2.712 58.820 56.100 0.013 0.000 0.955 196 R CB 0.222 30.530 30.300 0.013 0.000 0.851 196 R HN 0.130 8.205 8.270 0.019 0.206 0.432 197 G N -4.442 104.365 108.800 0.011 0.000 2.453 197 G HA2 -0.036 3.928 3.960 0.008 0.000 0.215 197 G HA3 -0.036 3.929 3.960 0.009 0.000 0.215 197 G C -0.327 174.579 174.900 0.009 0.000 1.147 197 G CA -0.276 44.829 45.100 0.009 0.000 0.802 197 G HN -0.326 7.971 8.290 0.012 0.000 0.535 198 G N 0.000 108.807 108.800 0.011 0.000 5.446 198 G HA2 0.000 nan 3.960 nan 0.000 0.244 198 G HA3 0.000 3.966 3.960 0.011 0.000 0.244 198 G CA 0.000 45.107 45.100 0.012 0.000 0.502 198 G HN 0.000 8.189 8.290 0.013 0.109 0.925