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 1g7o_21_A DATA FIRST_RESID 1 DATA SEQUENCE MKLYIYDHCP YCLKARMIFG LKNIPVELHV LLNDDAETPT RMVGQKQVPI DATA SEQUENCE LQKDDSRYMP ESMDIVHYVD KLDGKPLLTG KRSPAIEEWL RKVNGYANKL DATA SEQUENCE LLPRFAKSAF DEFSTPAARK YFVDKKEASA GNFADLLAHS DGLIKNISDD DATA SEQUENCE LRALDKLIVK PNAVNGELSE DDIQLFPLLR NLTLVAGINW PSRVADYRDN DATA SEQUENCE MAKQTQINLL SSMAI 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 4.424 4.480 -0.094 0.000 0.227 1 M C 0.000 176.143 176.300 -0.261 0.000 1.140 1 M CA 0.000 55.217 55.300 -0.138 0.000 0.988 1 M CB 0.000 32.532 32.600 -0.113 0.000 1.302 2 K N 0.474 120.733 120.400 -0.235 0.000 2.274 2 K HA 0.521 4.636 4.320 -0.568 -0.136 0.262 2 K C -1.890 174.501 176.600 -0.347 0.000 0.961 2 K CA -1.268 54.770 56.287 -0.415 0.000 0.833 2 K CB 2.538 34.783 32.500 -0.424 0.000 1.102 2 K HN 0.497 8.565 8.250 -0.137 0.100 0.436 3 L N 4.447 125.378 121.223 -0.486 0.000 2.259 3 L HA 0.307 4.758 4.340 -0.077 -0.156 0.288 3 L C -1.101 175.574 176.870 -0.325 0.000 1.051 3 L CA -1.137 53.540 54.840 -0.272 0.000 0.824 3 L CB 0.628 42.543 42.059 -0.241 0.000 1.206 3 L HN 0.709 8.417 8.230 -0.660 0.126 0.429 4 Y N 4.341 124.612 120.300 -0.049 0.000 2.486 4 Y HA 0.272 5.013 4.550 0.039 -0.167 0.348 4 Y C 0.069 175.913 175.900 -0.095 0.000 1.000 4 Y CA 0.102 58.190 58.100 -0.019 0.000 1.253 4 Y CB -0.737 37.723 38.460 0.000 0.000 1.140 4 Y HN 0.694 9.171 8.280 0.329 0.000 0.526 5 I N -2.965 117.587 120.570 -0.031 0.000 3.354 5 I HA 0.416 4.487 4.170 -0.166 0.000 0.316 5 I C -2.653 173.408 176.117 -0.093 0.000 1.182 5 I CA -2.479 58.759 61.300 -0.105 0.000 0.942 5 I CB 4.494 42.466 38.000 -0.047 0.000 1.299 5 I HN 0.773 8.976 8.210 -0.012 0.000 0.473 6 Y N -0.921 119.305 120.300 -0.124 0.000 2.326 6 Y HA 0.423 4.758 4.550 -0.359 0.000 0.329 6 Y C 0.181 175.871 175.900 -0.349 0.000 0.973 6 Y CA -2.355 55.562 58.100 -0.305 0.000 1.162 6 Y CB 1.513 39.792 38.460 -0.302 0.000 1.147 6 Y HN 0.023 8.279 8.280 -0.039 0.000 0.456 7 D N 5.461 125.703 120.400 -0.263 0.000 2.133 7 D HA -0.351 4.247 4.640 -0.071 0.000 0.192 7 D C 1.378 177.585 176.300 -0.155 0.000 1.001 7 D CA 3.325 57.221 54.000 -0.173 0.000 0.844 7 D CB 0.579 41.321 40.800 -0.096 0.000 0.944 7 D HN 0.632 8.954 8.370 -0.291 -0.127 0.447 8 H N -3.935 114.938 119.070 -0.329 0.000 2.551 8 H HA -0.031 4.448 4.556 -0.129 0.000 0.266 8 H C 0.362 175.638 175.328 -0.087 0.000 0.977 8 H CA -0.253 55.591 56.048 -0.340 0.000 1.163 8 H CB 0.010 29.134 29.762 -1.064 0.000 1.381 8 H HN -0.145 7.743 8.280 -1.247 -0.357 0.581 9 C N 3.597 123.018 119.300 0.202 0.000 2.648 9 C HA 0.088 4.734 4.460 0.310 0.000 0.419 9 C C -0.097 175.012 174.990 0.200 0.000 1.352 9 C CA -2.334 56.833 59.018 0.249 0.000 1.816 9 C CB 2.149 30.027 27.740 0.231 0.000 2.598 9 C HN -0.207 7.885 8.230 0.064 0.177 0.598 10 P HA -0.233 4.279 4.420 0.153 0.000 0.215 10 P C 0.842 178.307 177.300 0.275 0.000 1.157 10 P CA 2.624 65.852 63.100 0.213 0.000 0.868 10 P CB -0.121 31.709 31.700 0.216 0.000 0.788 11 Y N -4.062 116.275 120.300 0.062 0.000 2.128 11 Y HA -0.283 4.292 4.550 0.041 0.000 0.284 11 Y C 2.014 177.942 175.900 0.046 0.000 1.154 11 Y CA 1.691 59.818 58.100 0.045 0.000 1.149 11 Y CB -1.530 36.952 38.460 0.035 0.000 0.976 11 Y HN -0.375 8.195 8.280 0.482 0.000 0.505 12 C N -0.585 118.829 119.300 0.190 0.000 2.393 12 C HA -0.556 3.960 4.460 0.095 0.000 0.276 12 C C 1.686 176.735 174.990 0.098 0.000 1.215 12 C CA 4.230 63.314 59.018 0.109 0.000 1.743 12 C CB -0.465 27.320 27.740 0.076 0.000 2.044 12 C HN -0.627 7.668 8.230 0.231 0.073 0.464 13 L N -0.597 120.685 121.223 0.099 0.000 2.083 13 L HA -0.507 3.883 4.340 0.084 0.000 0.209 13 L C 2.184 179.110 176.870 0.092 0.000 1.083 13 L CA 3.198 58.086 54.840 0.080 0.000 0.752 13 L CB -0.421 41.661 42.059 0.038 0.000 0.899 13 L HN 0.285 8.525 8.230 0.117 0.060 0.433 14 K N -1.133 119.311 120.400 0.073 0.000 2.009 14 K HA -0.427 3.935 4.320 0.070 0.000 0.210 14 K C 2.375 178.998 176.600 0.038 0.000 1.049 14 K CA 3.637 59.947 56.287 0.037 0.000 0.929 14 K CB -0.424 32.040 32.500 -0.059 0.000 0.714 14 K HN 0.263 8.385 8.250 0.081 0.177 0.440 15 A N -0.532 122.320 122.820 0.053 0.000 1.851 15 A HA -0.368 3.969 4.320 0.028 0.000 0.216 15 A C 1.641 179.386 177.584 0.267 0.000 1.195 15 A CA 3.278 55.391 52.037 0.127 0.000 0.622 15 A CB -0.682 18.430 19.000 0.187 0.000 0.831 15 A HN -0.005 8.173 8.150 0.047 0.000 0.444 16 R N -1.655 118.988 120.500 0.238 0.000 2.091 16 R HA -0.446 4.085 4.340 0.318 0.000 0.238 16 R C 2.230 178.662 176.300 0.219 0.000 1.136 16 R CA 3.573 59.816 56.100 0.238 0.000 0.959 16 R CB -0.037 30.345 30.300 0.136 0.000 0.856 16 R HN 0.204 8.575 8.270 0.167 0.000 0.437 17 M N 0.124 119.832 119.600 0.179 0.000 2.065 17 M HA -0.437 4.160 4.480 0.196 0.000 0.259 17 M C 1.482 177.840 176.300 0.096 0.000 1.071 17 M CA 4.361 59.764 55.300 0.172 0.000 1.109 17 M CB -0.013 32.716 32.600 0.215 0.000 1.313 17 M HN 0.253 8.531 8.290 0.163 0.110 0.408 18 I N -0.039 120.546 120.570 0.025 0.000 2.163 18 I HA -0.503 3.641 4.170 -0.044 0.000 0.243 18 I C 1.394 177.446 176.117 -0.108 0.000 1.085 18 I CA 2.973 64.220 61.300 -0.089 0.000 1.347 18 I CB -0.427 37.454 38.000 -0.198 0.000 1.044 18 I HN -0.176 8.052 8.210 0.030 0.000 0.408 19 F N -0.796 119.168 119.950 0.023 0.000 2.126 19 F HA -0.458 4.077 4.527 0.014 0.000 0.299 19 F C 2.042 177.847 175.800 0.009 0.000 1.096 19 F CA 4.506 62.514 58.000 0.014 0.000 1.255 19 F CB -0.707 38.296 39.000 0.005 0.000 0.997 19 F HN 0.060 8.354 8.300 -0.009 0.000 0.479 20 G N -1.097 107.819 108.800 0.193 0.000 2.433 20 G HA2 -0.330 3.694 3.960 0.106 0.000 0.216 20 G HA3 -0.330 3.828 3.960 0.104 -0.135 0.216 20 G C 1.665 176.598 174.900 0.055 0.000 1.186 20 G CA 1.810 46.977 45.100 0.111 0.000 0.779 20 G HN 0.256 8.492 8.290 0.215 0.184 0.543 21 L N 0.401 121.643 121.223 0.032 0.000 1.994 21 L HA -0.321 4.008 4.340 -0.019 0.000 0.208 21 L C 1.640 178.508 176.870 -0.003 0.000 1.071 21 L CA 2.294 57.132 54.840 -0.004 0.000 0.745 21 L CB 0.055 42.103 42.059 -0.017 0.000 0.892 21 L HN -0.029 8.228 8.230 0.045 0.000 0.431 22 K N -5.390 115.008 120.400 -0.004 0.000 2.283 22 K HA -0.158 4.155 4.320 -0.013 0.000 0.202 22 K C 0.308 176.922 176.600 0.022 0.000 1.048 22 K CA 0.952 57.236 56.287 -0.005 0.000 0.948 22 K CB 0.520 33.001 32.500 -0.031 0.000 0.742 22 K HN -0.044 8.199 8.250 -0.011 0.000 0.458 23 N N -3.448 115.282 118.700 0.050 0.000 2.814 23 N HA -0.393 4.513 4.740 0.069 -0.125 0.247 23 N C -1.267 174.287 175.510 0.075 0.000 1.089 23 N CA 1.164 54.247 53.050 0.056 0.000 0.682 23 N CB -1.197 37.305 38.487 0.025 0.000 0.970 23 N HN -0.145 8.077 8.380 0.064 0.197 0.554 24 I N 1.643 122.297 120.570 0.140 0.000 2.307 24 I HA 0.157 4.391 4.170 0.106 0.000 0.289 24 I C -2.351 173.856 176.117 0.150 0.000 1.021 24 I CA -2.632 58.772 61.300 0.173 0.000 1.224 24 I CB 0.523 38.688 38.000 0.276 0.000 1.376 24 I HN -0.131 8.084 8.210 0.183 0.105 0.470 25 P HA -0.024 4.373 4.420 -0.037 0.000 0.265 25 P C -1.845 175.368 177.300 -0.145 0.000 1.187 25 P CA 0.088 63.167 63.100 -0.036 0.000 0.766 25 P CB 0.418 32.098 31.700 -0.034 0.000 0.820 26 V N 1.341 121.096 119.914 -0.265 0.000 2.817 26 V HA 0.175 4.144 4.120 -0.456 -0.122 0.303 26 V C -1.233 174.631 176.094 -0.383 0.000 1.151 26 V CA -1.686 60.319 62.300 -0.492 0.000 0.929 26 V CB 2.851 34.037 31.823 -1.062 0.000 1.030 26 V HN -0.225 7.846 8.190 -0.198 0.000 0.427 27 E N 8.586 128.540 120.200 -0.411 0.000 1.814 27 E HA 0.082 4.270 4.350 -0.271 0.000 0.264 27 E C -0.724 175.502 176.600 -0.622 0.000 1.179 27 E CA -1.316 54.824 56.400 -0.434 0.000 0.972 27 E CB -0.416 29.020 29.700 -0.440 0.000 1.077 27 E HN 0.498 8.604 8.360 -0.424 0.000 0.417 28 L N 5.513 126.525 121.223 -0.350 0.000 2.513 28 L HA -0.221 4.049 4.340 -0.304 -0.112 0.272 28 L C -0.059 176.761 176.870 -0.084 0.000 1.187 28 L CA 0.778 55.470 54.840 -0.246 0.000 0.895 28 L CB 0.034 42.019 42.059 -0.122 0.000 1.147 28 L HN -0.334 7.747 8.230 -0.249 0.000 0.483 29 H N 5.691 124.610 119.070 -0.251 0.000 2.970 29 H HA 0.302 4.750 4.556 -0.180 0.000 0.315 29 H C -1.584 173.656 175.328 -0.147 0.000 0.992 29 H CA -2.231 53.671 56.048 -0.242 0.000 1.363 29 H CB 1.150 30.644 29.762 -0.447 0.000 1.532 29 H HN 0.990 9.139 8.280 -0.218 0.000 0.514 30 V N 6.889 126.815 119.914 0.019 0.000 2.370 30 V HA 0.004 4.323 4.120 0.023 -0.185 0.257 30 V C 0.035 176.155 176.094 0.043 0.000 1.064 30 V CA 0.420 62.727 62.300 0.012 0.000 0.975 30 V CB -0.534 31.268 31.823 -0.036 0.000 1.067 30 V HN 0.524 8.718 8.190 0.007 0.000 0.485 31 L N 6.854 128.152 121.223 0.124 0.000 2.475 31 L HA 0.116 4.515 4.340 0.098 0.000 0.250 31 L C -0.503 176.484 176.870 0.195 0.000 1.224 31 L CA -0.259 54.684 54.840 0.171 0.000 0.821 31 L CB 0.671 42.843 42.059 0.189 0.000 1.141 31 L HN 0.537 8.843 8.230 0.126 0.000 0.494 32 L N -3.027 118.263 121.223 0.111 0.000 2.375 32 L HA 0.025 4.391 4.340 -0.182 -0.136 0.271 32 L C 1.490 178.295 176.870 -0.109 0.000 1.107 32 L CA -0.863 53.944 54.840 -0.055 0.000 0.806 32 L CB 0.745 42.778 42.059 -0.043 0.000 1.146 32 L HN 0.130 8.426 8.230 0.109 0.000 0.447 33 N N 3.213 121.677 118.700 -0.393 0.000 2.149 33 N HA -0.406 3.762 4.740 -0.954 0.000 0.188 33 N C 0.685 176.156 175.510 -0.064 0.000 1.019 33 N CA 3.751 56.571 53.050 -0.384 0.000 0.857 33 N CB 0.364 38.811 38.487 -0.066 0.000 0.997 33 N HN 0.728 8.748 8.380 -0.411 0.112 0.426 34 D N -4.665 115.598 120.400 -0.229 0.000 2.363 34 D HA -0.142 3.801 4.640 -1.162 0.000 0.220 34 D C -0.381 175.749 176.300 -0.284 0.000 0.994 34 D CA 0.097 53.706 54.000 -0.652 0.000 0.890 34 D CB -0.954 39.358 40.800 -0.813 0.000 0.906 34 D HN 0.171 8.431 8.370 -0.150 0.020 0.530 35 D N 1.278 121.639 120.400 -0.065 0.000 2.489 35 D HA -0.122 4.774 4.640 -0.045 -0.283 0.237 35 D C -0.137 176.185 176.300 0.037 0.000 1.212 35 D CA -0.361 53.638 54.000 -0.001 0.000 1.058 35 D CB -0.829 40.003 40.800 0.054 0.000 1.098 35 D HN -0.391 7.780 8.370 -0.008 0.194 0.509 36 A N 5.426 128.246 122.820 -0.000 0.000 1.897 36 A HA -0.213 4.141 4.320 0.058 0.000 0.215 36 A C 1.382 178.964 177.584 -0.004 0.000 1.181 36 A CA 2.805 54.857 52.037 0.025 0.000 0.620 36 A CB 0.557 19.579 19.000 0.036 0.000 0.821 36 A HN 0.123 8.199 8.150 -0.052 0.043 0.443 37 E N -1.112 119.076 120.200 -0.020 0.000 2.021 37 E HA -0.390 3.941 4.350 -0.031 0.000 0.200 37 E C 2.081 178.642 176.600 -0.064 0.000 1.015 37 E CA 2.871 59.250 56.400 -0.036 0.000 0.824 37 E CB -1.686 27.994 29.700 -0.033 0.000 0.762 37 E HN 0.205 8.552 8.360 -0.022 0.000 0.454 38 T N 1.625 116.137 114.554 -0.070 0.000 2.622 38 T HA -0.129 4.137 4.350 -0.141 0.000 0.266 38 T C 0.140 174.732 174.700 -0.181 0.000 1.047 38 T CA 5.617 67.643 62.100 -0.124 0.000 1.159 38 T CB -2.425 66.385 68.868 -0.096 0.000 0.863 38 T HN 0.434 9.017 8.240 -0.046 -0.370 0.422 39 P HA -0.177 4.110 4.420 -0.223 0.000 0.215 39 P C 1.822 179.041 177.300 -0.135 0.000 1.153 39 P CA 3.391 66.397 63.100 -0.157 0.000 0.853 39 P CB -0.627 31.006 31.700 -0.112 0.000 0.788 40 T N 1.068 115.567 114.554 -0.091 0.000 2.684 40 T HA -0.392 4.022 4.350 -0.061 -0.101 0.267 40 T C 2.567 177.206 174.700 -0.100 0.000 1.036 40 T CA 4.744 66.801 62.100 -0.073 0.000 1.148 40 T CB -0.479 68.365 68.868 -0.041 0.000 0.863 40 T HN -0.288 7.909 8.240 -0.071 0.000 0.436 41 R N 0.528 120.953 120.500 -0.126 0.000 2.096 41 R HA -0.341 3.937 4.340 -0.104 0.000 0.240 41 R C 2.260 178.444 176.300 -0.193 0.000 1.139 41 R CA 2.947 58.961 56.100 -0.144 0.000 0.952 41 R CB -0.188 30.016 30.300 -0.161 0.000 0.854 41 R HN 0.211 8.226 8.270 -0.123 0.181 0.436 42 M N -2.249 117.178 119.600 -0.287 0.000 2.191 42 M HA -0.145 4.094 4.480 -0.401 0.000 0.262 42 M C 1.720 177.893 176.300 -0.212 0.000 1.083 42 M CA 3.325 58.388 55.300 -0.395 0.000 1.154 42 M CB 1.351 33.501 32.600 -0.750 0.000 1.344 42 M HN -0.353 7.756 8.290 -0.292 0.006 0.431 43 V N -8.181 111.640 119.914 -0.155 0.000 3.380 43 V HA 0.426 4.514 4.120 -0.053 0.000 0.307 43 V C 0.539 176.602 176.094 -0.052 0.000 1.434 43 V CA -1.214 61.040 62.300 -0.076 0.000 1.075 43 V CB 0.977 32.768 31.823 -0.053 0.000 0.954 43 V HN 0.142 8.226 8.190 -0.176 0.000 0.444 44 G N 2.710 111.473 108.800 -0.060 0.000 2.225 44 G HA2 -0.405 3.619 3.960 -0.041 0.000 0.267 44 G HA3 -0.405 3.538 3.960 -0.028 0.000 0.267 44 G C -1.493 173.393 174.900 -0.024 0.000 1.024 44 G CA 0.649 45.726 45.100 -0.038 0.000 0.784 44 G HN 0.103 8.257 8.290 -0.086 0.085 0.507 45 Q N -2.596 117.187 119.800 -0.028 0.000 2.378 45 Q HA 0.047 4.386 4.340 -0.002 0.000 0.262 45 Q C -1.944 174.046 176.000 -0.015 0.000 0.978 45 Q CA -1.194 54.602 55.803 -0.011 0.000 0.918 45 Q CB 2.774 31.510 28.738 -0.003 0.000 1.415 45 Q HN -0.692 7.524 8.270 -0.046 0.026 0.409 46 K N 6.124 126.527 120.400 0.006 0.000 2.095 46 K HA -0.107 4.210 4.320 -0.005 0.000 0.258 46 K C -1.164 175.446 176.600 0.017 0.000 1.120 46 K CA 0.717 57.014 56.287 0.018 0.000 1.026 46 K CB -0.911 31.627 32.500 0.063 0.000 1.256 46 K HN 0.452 8.712 8.250 0.017 0.000 0.360 47 Q N 2.491 122.278 119.800 -0.021 0.000 2.379 47 Q HA 0.172 4.502 4.340 -0.018 0.000 0.278 47 Q C -2.295 173.650 176.000 -0.092 0.000 1.068 47 Q CA -1.209 54.576 55.803 -0.030 0.000 0.816 47 Q CB 3.264 32.004 28.738 0.004 0.000 1.387 47 Q HN -0.340 7.881 8.270 -0.041 0.024 0.413 48 V N -4.645 115.177 119.914 -0.153 0.000 2.612 48 V HA 0.487 4.553 4.120 -0.090 0.000 0.301 48 V C -2.546 173.517 176.094 -0.052 0.000 1.059 48 V CA -3.490 58.699 62.300 -0.186 0.000 0.886 48 V CB 2.425 33.956 31.823 -0.486 0.000 1.007 48 V HN 0.134 8.254 8.190 -0.118 0.000 0.426 49 P HA 0.732 5.330 4.420 -0.004 -0.181 0.301 49 P C -1.563 175.773 177.300 0.060 0.000 1.337 49 P CA -1.541 61.584 63.100 0.042 0.000 0.889 49 P CB 2.035 33.782 31.700 0.078 0.000 1.050 50 I N 2.029 122.653 120.570 0.090 0.000 2.382 50 I HA 0.281 4.670 4.170 0.091 -0.165 0.286 50 I C -1.683 174.564 176.117 0.217 0.000 1.002 50 I CA -0.995 60.381 61.300 0.128 0.000 1.135 50 I CB 2.929 40.974 38.000 0.075 0.000 1.288 50 I HN 0.750 9.026 8.210 0.109 0.000 0.448 51 L N 7.798 129.110 121.223 0.149 0.000 2.264 51 L HA 0.574 5.136 4.340 0.112 -0.155 0.287 51 L C -1.630 175.286 176.870 0.077 0.000 1.039 51 L CA -1.711 53.200 54.840 0.118 0.000 0.829 51 L CB 1.192 43.326 42.059 0.124 0.000 1.211 51 L HN 0.978 9.166 8.230 0.103 0.104 0.427 52 Q N 9.073 128.931 119.800 0.097 0.000 2.381 52 Q HA -0.075 4.151 4.340 -0.288 -0.058 0.243 52 Q C -0.883 175.038 176.000 -0.132 0.000 1.154 52 Q CA -0.416 55.312 55.803 -0.124 0.000 0.899 52 Q CB -0.151 28.538 28.738 -0.081 0.000 1.396 52 Q HN 1.027 9.308 8.270 0.185 0.100 0.485 53 K N 7.022 127.339 120.400 -0.138 0.000 2.276 53 K HA -0.180 4.134 4.320 -0.011 0.000 0.259 53 K C 0.605 177.152 176.600 -0.089 0.000 1.001 53 K CA 1.221 57.462 56.287 -0.076 0.000 0.927 53 K CB 0.230 32.677 32.500 -0.089 0.000 0.969 53 K HN 0.378 8.427 8.250 -0.175 0.095 0.490 54 D N 1.538 121.922 120.400 -0.027 0.000 2.600 54 D HA -0.473 4.147 4.640 -0.034 0.000 0.194 54 D C 0.937 177.203 176.300 -0.056 0.000 1.040 54 D CA 3.635 57.619 54.000 -0.027 0.000 0.871 54 D CB 0.292 41.099 40.800 0.013 0.000 0.973 54 D HN 0.195 8.578 8.370 0.021 0.000 0.470 55 D N -0.984 119.385 120.400 -0.052 0.000 2.652 55 D HA -0.011 4.603 4.640 -0.044 0.000 0.247 55 D C -1.034 175.198 176.300 -0.113 0.000 1.232 55 D CA -0.167 53.798 54.000 -0.058 0.000 0.863 55 D CB -1.274 39.509 40.800 -0.029 0.000 1.023 55 D HN 0.200 8.552 8.370 -0.029 0.000 0.474 56 S N -2.516 113.072 115.700 -0.186 0.000 3.581 56 S HA -0.478 3.711 4.470 -0.467 0.000 0.354 56 S C -0.720 173.576 174.600 -0.507 0.000 1.059 56 S CA 1.420 59.395 58.200 -0.374 0.000 1.060 56 S CB -0.862 62.196 63.200 -0.236 0.000 0.908 56 S HN 0.067 8.158 8.310 -0.156 0.126 0.475 57 R N 0.538 120.832 120.500 -0.344 0.000 2.296 57 R HA 0.027 4.275 4.340 -0.153 0.000 0.327 57 R C -0.880 175.278 176.300 -0.236 0.000 1.137 57 R CA -1.157 54.806 56.100 -0.229 0.000 1.020 57 R CB -0.422 29.793 30.300 -0.141 0.000 1.110 57 R HN -0.426 7.671 8.270 -0.267 0.013 0.499 58 Y N 4.023 124.289 120.300 -0.057 0.000 2.584 58 Y HA -0.131 4.502 4.550 -0.043 -0.108 0.351 58 Y C -0.933 174.925 175.900 -0.070 0.000 1.030 58 Y CA 0.835 58.895 58.100 -0.066 0.000 1.332 58 Y CB -0.739 37.658 38.460 -0.105 0.000 1.148 58 Y HN -0.153 8.115 8.280 -0.020 0.000 0.528 59 M N 5.540 125.170 119.600 0.050 0.000 2.227 59 M HA 0.494 4.974 4.480 -0.001 0.000 0.335 59 M C -2.549 173.764 176.300 0.022 0.000 1.053 59 M CA -3.480 51.817 55.300 -0.006 0.000 0.973 59 M CB 3.577 36.111 32.600 -0.112 0.000 1.623 59 M HN 0.569 8.759 8.290 0.032 0.119 0.434 60 P HA 0.453 5.091 4.420 0.049 -0.188 0.293 60 P C -0.544 176.777 177.300 0.036 0.000 1.304 60 P CA -0.948 62.175 63.100 0.039 0.000 0.767 60 P CB 1.225 32.947 31.700 0.037 0.000 1.247 61 E N -2.143 118.106 120.200 0.082 0.000 7.524 61 E HA -0.369 4.128 4.350 0.245 0.000 0.404 61 E C 1.020 177.545 176.600 -0.125 0.000 0.526 61 E CA 0.663 57.105 56.400 0.070 0.000 0.977 61 E CB -0.107 29.631 29.700 0.063 0.000 0.947 61 E HN 0.162 8.940 8.360 0.127 -0.342 0.263 62 S N 5.763 121.202 115.700 -0.434 0.000 2.354 62 S HA -0.371 3.926 4.470 -0.287 0.000 0.219 62 S C 1.664 176.012 174.600 -0.420 0.000 1.035 62 S CA 3.034 60.916 58.200 -0.529 0.000 1.037 62 S CB 0.106 62.672 63.200 -1.056 0.000 0.956 62 S HN 0.596 8.460 8.310 -0.743 0.000 0.428 63 M N 2.059 121.364 119.600 -0.491 0.000 2.106 63 M HA -0.289 3.828 4.480 -0.604 0.000 0.259 63 M C 2.111 178.007 176.300 -0.673 0.000 1.068 63 M CA 1.190 56.144 55.300 -0.576 0.000 1.100 63 M CB -1.944 30.415 32.600 -0.403 0.000 1.351 63 M HN -0.530 7.536 8.290 -0.602 -0.137 0.404 64 D N 0.444 120.658 120.400 -0.309 0.000 2.106 64 D HA -0.269 4.341 4.640 -0.050 0.000 0.191 64 D C 2.858 179.108 176.300 -0.084 0.000 0.997 64 D CA 4.206 58.130 54.000 -0.126 0.000 0.834 64 D CB -0.121 40.654 40.800 -0.043 0.000 0.956 64 D HN 0.232 8.869 8.370 -0.235 -0.408 0.448 65 I N 0.227 120.732 120.570 -0.108 0.000 2.163 65 I HA -0.538 3.634 4.170 0.004 0.000 0.243 65 I C 2.015 178.083 176.117 -0.082 0.000 1.085 65 I CA 4.220 65.490 61.300 -0.050 0.000 1.347 65 I CB -0.144 37.841 38.000 -0.024 0.000 1.044 65 I HN -0.377 7.674 8.210 -0.143 0.073 0.408 66 V N 0.678 120.479 119.914 -0.188 0.000 2.233 66 V HA -0.617 3.396 4.120 -0.178 0.000 0.247 66 V C 2.257 178.329 176.094 -0.037 0.000 1.050 66 V CA 4.638 66.835 62.300 -0.171 0.000 1.010 66 V CB -0.990 30.706 31.823 -0.212 0.000 0.637 66 V HN 0.463 8.390 8.190 -0.254 0.110 0.444 67 H N -0.414 118.644 119.070 -0.020 0.000 2.321 67 H HA -0.410 4.127 4.556 -0.032 0.000 0.300 67 H C 2.286 177.616 175.328 0.003 0.000 1.087 67 H CA 3.168 59.210 56.048 -0.009 0.000 1.319 67 H CB -0.001 29.767 29.762 0.010 0.000 1.379 67 H HN 0.196 8.123 8.280 -0.411 0.107 0.501 68 Y N 0.941 121.263 120.300 0.037 0.000 2.097 68 Y HA -0.516 4.044 4.550 0.018 0.000 0.282 68 Y C 1.460 177.330 175.900 -0.050 0.000 1.152 68 Y CA 3.952 62.050 58.100 -0.003 0.000 1.136 68 Y CB -0.266 38.189 38.460 -0.008 0.000 0.975 68 Y HN 0.245 8.563 8.280 0.241 0.107 0.498 69 V N -1.372 118.565 119.914 0.038 0.000 2.255 69 V HA -0.745 3.319 4.120 -0.094 0.000 0.247 69 V C 1.565 177.560 176.094 -0.165 0.000 1.051 69 V CA 4.827 67.040 62.300 -0.145 0.000 1.018 69 V CB -0.369 31.185 31.823 -0.447 0.000 0.641 69 V HN 0.253 8.389 8.190 0.090 0.108 0.445 70 D N -1.096 119.235 120.400 -0.115 0.000 2.133 70 D HA -0.395 4.194 4.640 -0.085 0.000 0.192 70 D C 2.247 178.489 176.300 -0.096 0.000 1.001 70 D CA 3.412 57.364 54.000 -0.080 0.000 0.844 70 D CB 0.206 40.996 40.800 -0.017 0.000 0.944 70 D HN -0.014 8.303 8.370 -0.088 0.000 0.447 71 K N -2.201 118.128 120.400 -0.119 0.000 2.418 71 K HA -0.066 4.189 4.320 -0.108 0.000 0.195 71 K C 2.971 179.440 176.600 -0.217 0.000 1.035 71 K CA 0.245 56.444 56.287 -0.146 0.000 1.003 71 K CB -0.397 32.026 32.500 -0.129 0.000 0.793 71 K HN 0.077 8.162 8.250 -0.098 0.106 0.494 72 L N 2.120 123.167 121.223 -0.294 0.000 1.997 72 L HA -0.345 3.701 4.340 -0.490 0.000 0.216 72 L C 0.544 177.310 176.870 -0.173 0.000 1.074 72 L CA 3.121 57.768 54.840 -0.321 0.000 0.763 72 L CB 0.010 41.924 42.059 -0.241 0.000 0.890 72 L HN 0.093 7.985 8.230 -0.293 0.162 0.434 73 D N -4.947 115.383 120.400 -0.117 0.000 2.559 73 D HA 0.034 4.632 4.640 -0.070 0.000 0.234 73 D C -0.054 176.205 176.300 -0.069 0.000 1.226 73 D CA -1.051 52.904 54.000 -0.075 0.000 0.830 73 D CB -0.640 40.130 40.800 -0.050 0.000 1.028 73 D HN -0.344 7.955 8.370 -0.119 0.000 0.492 74 G N -0.103 108.647 108.800 -0.084 0.000 2.371 74 G HA2 -0.508 3.451 3.960 -0.077 0.000 0.299 74 G HA3 -0.508 3.417 3.960 -0.059 0.000 0.299 74 G C -0.313 174.554 174.900 -0.055 0.000 1.014 74 G CA 0.966 46.025 45.100 -0.069 0.000 1.097 74 G HN -0.036 7.976 8.290 -0.111 0.211 0.512 75 K N 0.044 120.410 120.400 -0.058 0.000 2.530 75 K HA 0.526 4.823 4.320 -0.038 0.000 0.230 75 K C -2.053 174.521 176.600 -0.042 0.000 1.002 75 K CA -3.851 52.409 56.287 -0.045 0.000 1.014 75 K CB 0.956 33.431 32.500 -0.043 0.000 1.286 75 K HN 0.038 8.246 8.250 -0.070 0.000 0.480 76 P HA 0.017 4.765 4.420 -0.033 -0.348 0.266 76 P C -0.788 176.499 177.300 -0.023 0.000 1.419 76 P CA -0.300 62.781 63.100 -0.032 0.000 1.112 76 P CB -0.943 30.736 31.700 -0.034 0.000 1.438 77 L N 4.635 125.846 121.223 -0.020 0.000 2.145 77 L HA 0.168 4.498 4.340 -0.017 0.000 0.201 77 L C -0.390 176.478 176.870 -0.004 0.000 1.075 77 L CA 1.997 56.828 54.840 -0.015 0.000 0.773 77 L CB 1.508 43.555 42.059 -0.021 0.000 0.936 77 L HN 0.047 8.537 8.230 -0.023 -0.274 0.451 78 L N -10.169 111.057 121.223 0.005 0.000 3.186 78 L HA 0.478 4.902 4.340 0.022 -0.072 0.292 78 L C -0.211 176.678 176.870 0.031 0.000 1.303 78 L CA -0.512 54.342 54.840 0.023 0.000 0.940 78 L CB -0.513 41.565 42.059 0.032 0.000 1.358 78 L HN -0.917 7.473 8.230 0.003 -0.158 0.581 79 T N -5.412 109.149 114.554 0.012 0.000 3.228 79 T HA 0.175 4.857 4.350 0.012 -0.325 0.278 79 T C 0.987 175.688 174.700 0.001 0.000 1.014 79 T CA -2.108 59.992 62.100 0.001 0.000 0.904 79 T CB -0.333 68.517 68.868 -0.028 0.000 1.110 79 T HN -0.726 7.517 8.240 0.004 0.000 0.541 80 G N 3.944 112.752 108.800 0.012 0.000 2.662 80 G HA2 -0.260 3.702 3.960 0.002 0.000 0.215 80 G HA3 -0.260 3.755 3.960 0.015 -0.046 0.215 80 G C -1.730 173.177 174.900 0.013 0.000 1.310 80 G CA 1.438 46.545 45.100 0.010 0.000 0.849 80 G HN 0.606 8.748 8.290 0.020 0.159 0.568 81 K N 2.261 122.674 120.400 0.023 0.000 2.575 81 K HA 0.281 4.611 4.320 0.016 0.000 0.236 81 K C -0.975 175.644 176.600 0.032 0.000 0.976 81 K CA -1.785 54.516 56.287 0.023 0.000 0.985 81 K CB 0.230 32.743 32.500 0.021 0.000 1.198 81 K HN -0.071 8.197 8.250 0.030 0.000 0.464 82 R N 3.139 123.658 120.500 0.031 0.000 2.641 82 R HA -0.118 4.395 4.340 0.050 -0.144 0.269 82 R C -0.085 176.235 176.300 0.034 0.000 1.074 82 R CA 0.858 56.981 56.100 0.040 0.000 1.133 82 R CB 0.611 30.935 30.300 0.040 0.000 1.029 82 R HN 0.222 8.506 8.270 0.024 0.000 0.488 83 S N 1.590 117.313 115.700 0.038 0.000 2.774 83 S HA 0.489 4.973 4.470 0.023 0.000 0.297 83 S C -0.960 173.664 174.600 0.039 0.000 1.143 83 S CA -4.011 54.207 58.200 0.030 0.000 1.090 83 S CB 0.782 63.994 63.200 0.020 0.000 1.019 83 S HN 0.257 9.117 8.310 0.049 -0.521 0.482 84 P HA -0.320 4.134 4.420 0.055 0.000 0.218 84 P C 0.436 177.773 177.300 0.061 0.000 1.154 84 P CA 2.452 65.581 63.100 0.048 0.000 0.872 84 P CB 0.211 31.934 31.700 0.038 0.000 0.790 85 A N -2.788 120.057 122.820 0.043 0.000 1.903 85 A HA -0.324 4.033 4.320 0.061 0.000 0.219 85 A C 2.310 179.950 177.584 0.094 0.000 1.191 85 A CA 3.113 55.176 52.037 0.043 0.000 0.638 85 A CB -0.938 18.047 19.000 -0.025 0.000 0.823 85 A HN 0.130 8.284 8.150 0.025 0.011 0.451 86 I N -1.964 118.653 120.570 0.078 0.000 2.179 86 I HA -0.471 3.790 4.170 0.153 0.000 0.242 86 I C 2.101 178.319 176.117 0.169 0.000 1.088 86 I CA 2.505 63.879 61.300 0.124 0.000 1.357 86 I CB -1.529 36.519 38.000 0.080 0.000 1.051 86 I HN -0.045 8.082 8.210 0.052 0.115 0.409 87 E N 0.894 121.169 120.200 0.126 0.000 2.038 87 E HA -0.454 3.966 4.350 0.117 0.000 0.195 87 E C 2.113 178.789 176.600 0.127 0.000 1.000 87 E CA 3.405 59.875 56.400 0.116 0.000 0.803 87 E CB -0.545 29.209 29.700 0.091 0.000 0.750 87 E HN -0.580 7.769 8.360 0.101 0.071 0.448 88 E N 0.028 120.310 120.200 0.136 0.000 2.049 88 E HA -0.398 4.009 4.350 0.096 0.000 0.198 88 E C 2.308 179.026 176.600 0.197 0.000 1.007 88 E CA 2.908 59.394 56.400 0.143 0.000 0.809 88 E CB -0.321 29.468 29.700 0.148 0.000 0.749 88 E HN 0.047 8.482 8.360 0.125 0.000 0.450 89 W N 0.280 121.590 121.300 0.016 0.000 2.335 89 W HA -0.401 4.270 4.660 0.018 0.000 0.311 89 W C 2.029 178.563 176.519 0.025 0.000 1.213 89 W CA 3.382 60.739 57.345 0.020 0.000 1.274 89 W CB 0.489 29.962 29.460 0.022 0.000 1.148 89 W HN 0.323 8.628 8.180 0.389 0.109 0.498 90 L N -1.887 119.435 121.223 0.164 0.000 1.994 90 L HA -0.574 3.777 4.340 0.018 0.000 0.208 90 L C 2.300 179.163 176.870 -0.012 0.000 1.071 90 L CA 3.523 58.400 54.840 0.061 0.000 0.745 90 L CB -0.519 41.609 42.059 0.114 0.000 0.892 90 L HN 0.498 8.771 8.230 0.251 0.107 0.431 91 R N -1.845 118.661 120.500 0.011 0.000 2.103 91 R HA -0.400 3.929 4.340 -0.017 0.000 0.242 91 R C 2.331 178.567 176.300 -0.107 0.000 1.142 91 R CA 2.554 58.640 56.100 -0.024 0.000 0.960 91 R CB -0.936 29.369 30.300 0.008 0.000 0.858 91 R HN 0.248 8.552 8.270 0.057 0.000 0.439 92 K N -0.450 119.860 120.400 -0.151 0.000 1.987 92 K HA -0.307 3.859 4.320 -0.258 0.000 0.216 92 K C 2.566 178.918 176.600 -0.413 0.000 1.051 92 K CA 3.121 59.235 56.287 -0.288 0.000 0.942 92 K CB -0.099 32.200 32.500 -0.334 0.000 0.722 92 K HN -0.100 8.097 8.250 -0.088 0.000 0.444 93 V N 0.065 119.748 119.914 -0.385 0.000 2.380 93 V HA -0.512 3.471 4.120 -0.227 0.000 0.251 93 V C 1.740 177.739 176.094 -0.158 0.000 1.063 93 V CA 3.961 66.112 62.300 -0.248 0.000 1.055 93 V CB -0.956 30.753 31.823 -0.189 0.000 0.657 93 V HN 0.270 8.116 8.190 -0.396 0.106 0.455 94 N N -0.281 118.339 118.700 -0.134 0.000 2.258 94 N HA -0.470 4.251 4.740 -0.033 0.000 0.187 94 N C 2.082 177.519 175.510 -0.122 0.000 1.012 94 N CA 3.506 56.507 53.050 -0.081 0.000 0.870 94 N CB -0.305 38.153 38.487 -0.049 0.000 0.977 94 N HN 0.606 8.688 8.380 -0.138 0.215 0.434 95 G N -0.250 108.407 108.800 -0.239 0.000 2.491 95 G HA2 -0.299 3.555 3.960 -0.176 0.000 0.218 95 G HA3 -0.299 3.415 3.960 -0.409 0.000 0.218 95 G C 1.143 175.939 174.900 -0.174 0.000 1.180 95 G CA 2.408 47.347 45.100 -0.269 0.000 0.774 95 G HN 0.297 8.263 8.290 -0.312 0.137 0.562 96 Y N 2.138 122.379 120.300 -0.097 0.000 2.163 96 Y HA -0.341 4.166 4.550 -0.072 0.000 0.288 96 Y C 2.140 177.993 175.900 -0.078 0.000 1.136 96 Y CA 1.910 59.958 58.100 -0.088 0.000 1.147 96 Y CB -0.821 37.572 38.460 -0.112 0.000 0.987 96 Y HN -0.495 7.435 8.280 -0.431 0.092 0.509 97 A N -1.472 121.407 122.820 0.097 0.000 1.859 97 A HA -0.543 3.797 4.320 0.034 0.000 0.217 97 A C 1.832 179.395 177.584 -0.035 0.000 1.198 97 A CA 3.264 55.319 52.037 0.030 0.000 0.629 97 A CB -1.001 18.018 19.000 0.031 0.000 0.830 97 A HN 0.370 8.580 8.150 0.099 0.000 0.446 98 N N -1.945 116.727 118.700 -0.047 0.000 2.007 98 N HA -0.385 4.276 4.740 -0.132 0.000 0.197 98 N C 2.205 177.669 175.510 -0.076 0.000 1.050 98 N CA 3.500 56.501 53.050 -0.082 0.000 0.856 98 N CB 0.008 38.463 38.487 -0.053 0.000 1.050 98 N HN 0.132 8.376 8.380 -0.036 0.114 0.423 99 K N -1.622 118.779 120.400 0.003 0.000 2.280 99 K HA -0.316 4.102 4.320 0.162 0.000 0.202 99 K C 2.036 178.684 176.600 0.079 0.000 1.047 99 K CA 2.860 59.202 56.287 0.091 0.000 0.942 99 K CB -0.081 32.475 32.500 0.093 0.000 0.739 99 K HN -0.327 7.924 8.250 0.002 0.000 0.457 100 L N -2.543 118.682 121.223 0.004 0.000 2.145 100 L HA -0.138 4.214 4.340 0.020 0.000 0.201 100 L C 1.362 178.152 176.870 -0.133 0.000 1.075 100 L CA 2.392 57.220 54.840 -0.020 0.000 0.773 100 L CB 0.445 42.505 42.059 0.001 0.000 0.936 100 L HN -0.154 8.054 8.230 0.004 0.024 0.451 101 L N -1.107 119.965 121.223 -0.253 0.000 1.989 101 L HA -0.443 3.690 4.340 -0.345 0.000 0.211 101 L C 2.275 178.551 176.870 -0.992 0.000 1.071 101 L CA 3.384 57.868 54.840 -0.594 0.000 0.749 101 L CB -0.702 40.938 42.059 -0.697 0.000 0.890 101 L HN 0.409 8.420 8.230 -0.188 0.107 0.431 102 L N -0.465 120.309 121.223 -0.748 0.000 2.011 102 L HA -0.310 3.724 4.340 -0.511 0.000 0.225 102 L C -1.389 175.229 176.870 -0.420 0.000 1.084 102 L CA 5.059 59.583 54.840 -0.527 0.000 0.791 102 L CB -2.747 39.120 42.059 -0.320 0.000 0.898 102 L HN 0.223 8.141 8.230 -0.521 0.000 0.440 103 P HA -0.117 4.216 4.420 -0.570 -0.255 0.215 103 P C 2.458 179.706 177.300 -0.086 0.000 1.157 103 P CA 1.932 64.763 63.100 -0.448 0.000 0.859 103 P CB -0.201 31.239 31.700 -0.434 0.000 0.786 104 R N -0.654 119.827 120.500 -0.032 0.000 2.113 104 R HA -0.359 4.045 4.340 0.105 0.000 0.244 104 R C 2.288 178.789 176.300 0.335 0.000 1.142 104 R CA 3.300 59.477 56.100 0.128 0.000 0.953 104 R CB -0.854 29.530 30.300 0.139 0.000 0.860 104 R HN -0.341 7.860 8.270 -0.116 0.000 0.438 105 F N -1.638 118.433 119.950 0.202 0.000 2.106 105 F HA -0.252 4.645 4.527 0.617 0.000 0.299 105 F C 2.928 178.853 175.800 0.210 0.000 1.082 105 F CA 1.274 59.462 58.000 0.315 0.000 1.244 105 F CB -1.270 37.774 39.000 0.074 0.000 0.997 105 F HN 0.437 8.892 8.300 0.258 0.000 0.486 106 A N -2.032 120.989 122.820 0.336 0.000 1.930 106 A HA -0.348 3.910 4.320 -0.104 0.000 0.217 106 A C 1.484 179.111 177.584 0.072 0.000 1.175 106 A CA 2.952 55.058 52.037 0.116 0.000 0.627 106 A CB -0.568 18.494 19.000 0.103 0.000 0.815 106 A HN 0.356 8.562 8.150 0.355 0.156 0.443 107 K N -1.147 119.323 120.400 0.117 0.000 2.044 107 K HA -0.080 4.275 4.320 0.058 0.000 0.204 107 K C 1.391 178.052 176.600 0.101 0.000 1.045 107 K CA 1.461 57.801 56.287 0.088 0.000 0.951 107 K CB 0.179 32.726 32.500 0.078 0.000 0.738 107 K HN 0.187 8.399 8.250 0.161 0.135 0.443 108 S N 0.836 116.627 115.700 0.152 0.000 3.024 108 S HA -0.030 4.440 4.470 0.001 0.000 0.316 108 S C -0.350 174.311 174.600 0.103 0.000 1.197 108 S CA -1.162 57.078 58.200 0.067 0.000 1.097 108 S CB -1.332 61.899 63.200 0.052 0.000 1.471 108 S HN -0.234 8.210 8.310 0.223 0.000 0.543 109 A N 6.746 129.618 122.820 0.087 0.000 3.052 109 A HA -0.183 4.362 4.320 0.376 0.000 0.285 109 A C -0.881 176.771 177.584 0.114 0.000 1.928 109 A CA -0.040 52.114 52.037 0.194 0.000 1.453 109 A CB -1.173 17.888 19.000 0.101 0.000 0.970 109 A HN -0.320 7.834 8.150 0.050 0.027 0.603 110 F N 2.041 122.071 119.950 0.132 0.000 2.586 110 F HA -0.278 4.161 4.527 -0.147 0.000 0.344 110 F C 1.718 177.345 175.800 -0.289 0.000 1.188 110 F CA 1.662 59.539 58.000 -0.204 0.000 1.359 110 F CB 0.618 39.287 39.000 -0.552 0.000 1.129 110 F HN -0.393 8.270 8.300 0.675 0.042 0.609 111 D N 1.101 121.439 120.400 -0.104 0.000 2.158 111 D HA -0.311 4.272 4.640 -0.096 0.000 0.197 111 D C 2.126 178.264 176.300 -0.269 0.000 0.995 111 D CA 4.391 58.304 54.000 -0.145 0.000 0.846 111 D CB -0.072 40.659 40.800 -0.116 0.000 0.941 111 D HN 0.664 9.001 8.370 -0.056 0.000 0.456 112 E N -1.283 118.592 120.200 -0.542 0.000 2.253 112 E HA -0.287 3.889 4.350 -0.598 -0.185 0.202 112 E C 0.884 177.034 176.600 -0.750 0.000 1.014 112 E CA 2.991 58.867 56.400 -0.874 0.000 0.823 112 E CB -0.249 28.515 29.700 -1.559 0.000 0.736 112 E HN 0.388 8.428 8.360 -0.531 0.001 0.478 113 F N -5.113 114.757 119.950 -0.133 0.000 2.772 113 F HA 0.331 4.818 4.527 -0.067 0.000 0.302 113 F C 0.306 176.085 175.800 -0.035 0.000 1.136 113 F CA -2.484 55.473 58.000 -0.072 0.000 1.322 113 F CB -1.122 37.848 39.000 -0.050 0.000 0.967 113 F HN -0.065 7.741 8.300 -0.517 0.183 0.513 114 S N 0.551 116.271 115.700 0.035 0.000 2.359 114 S HA -0.237 4.254 4.470 0.034 0.000 0.224 114 S C 0.629 175.257 174.600 0.047 0.000 1.035 114 S CA 3.154 61.370 58.200 0.026 0.000 1.018 114 S CB 0.316 63.506 63.200 -0.016 0.000 0.876 114 S HN -0.022 8.093 8.310 -0.059 0.160 0.448 115 T N -1.486 113.095 114.554 0.046 0.000 2.919 115 T HA 0.315 4.685 4.350 0.033 0.000 0.302 115 T C -0.876 173.869 174.700 0.074 0.000 1.031 115 T CA -3.111 59.016 62.100 0.046 0.000 1.127 115 T CB 1.066 69.952 68.868 0.030 0.000 0.952 115 T HN -0.563 7.700 8.240 0.038 0.000 0.540 116 P HA -0.322 4.141 4.420 0.071 0.000 0.216 116 P C 1.144 178.494 177.300 0.084 0.000 1.154 116 P CA 2.936 66.076 63.100 0.066 0.000 0.865 116 P CB -0.440 31.288 31.700 0.047 0.000 0.789 117 A N -2.794 120.071 122.820 0.074 0.000 1.859 117 A HA -0.253 4.124 4.320 0.096 0.000 0.217 117 A C 2.058 179.723 177.584 0.135 0.000 1.198 117 A CA 3.144 55.234 52.037 0.087 0.000 0.629 117 A CB -0.947 18.082 19.000 0.050 0.000 0.830 117 A HN 0.261 8.444 8.150 0.056 0.001 0.446 118 A N -1.410 121.482 122.820 0.121 0.000 1.902 118 A HA -0.420 3.975 4.320 0.125 0.000 0.217 118 A C 1.757 179.543 177.584 0.337 0.000 1.181 118 A CA 3.001 55.151 52.037 0.188 0.000 0.623 118 A CB -0.710 18.370 19.000 0.133 0.000 0.818 118 A HN -0.118 8.015 8.150 0.086 0.069 0.443 119 R N -1.180 119.471 120.500 0.252 0.000 2.070 119 R HA -0.363 4.003 4.340 0.043 0.000 0.232 119 R C 1.957 178.328 176.300 0.117 0.000 1.138 119 R CA 3.480 59.666 56.100 0.144 0.000 0.936 119 R CB -0.101 30.264 30.300 0.110 0.000 0.839 119 R HN 0.090 8.480 8.270 0.200 0.000 0.429 120 K N -1.096 119.379 120.400 0.125 0.000 2.034 120 K HA -0.379 3.975 4.320 0.057 0.000 0.214 120 K C 1.915 178.597 176.600 0.137 0.000 1.051 120 K CA 2.914 59.262 56.287 0.102 0.000 0.931 120 K CB -0.619 31.937 32.500 0.094 0.000 0.715 120 K HN -0.004 8.212 8.250 0.125 0.109 0.446 121 Y N 0.709 121.050 120.300 0.069 0.000 2.014 121 Y HA -0.452 4.283 4.550 0.051 -0.154 0.272 121 Y C 2.096 178.047 175.900 0.085 0.000 1.164 121 Y CA 3.760 61.909 58.100 0.082 0.000 1.114 121 Y CB -0.225 38.306 38.460 0.118 0.000 0.961 121 Y HN 0.132 8.500 8.280 0.323 0.107 0.489 122 F N -0.733 119.301 119.950 0.141 0.000 2.069 122 F HA -0.474 4.017 4.527 -0.060 0.000 0.298 122 F C 1.949 177.635 175.800 -0.191 0.000 1.113 122 F CA 3.988 61.954 58.000 -0.056 0.000 1.214 122 F CB 0.289 39.190 39.000 -0.165 0.000 0.978 122 F HN -0.124 8.528 8.300 0.587 0.000 0.474 123 V N -0.653 119.233 119.914 -0.048 0.000 2.282 123 V HA -0.742 3.277 4.120 -0.169 0.000 0.249 123 V C 1.602 177.591 176.094 -0.175 0.000 1.057 123 V CA 4.883 67.109 62.300 -0.123 0.000 1.032 123 V CB -0.215 31.583 31.823 -0.041 0.000 0.645 123 V HN 0.436 8.671 8.190 0.074 0.000 0.447 124 D N -1.527 118.791 120.400 -0.136 0.000 2.103 124 D HA -0.265 4.316 4.640 -0.099 0.000 0.199 124 D C 2.583 178.765 176.300 -0.196 0.000 0.978 124 D CA 3.284 57.206 54.000 -0.130 0.000 0.829 124 D CB -0.418 40.333 40.800 -0.082 0.000 0.981 124 D HN 0.348 8.559 8.370 -0.087 0.107 0.464 125 K N -0.790 119.427 120.400 -0.305 0.000 2.147 125 K HA -0.221 3.947 4.320 -0.253 0.000 0.205 125 K C 1.844 178.262 176.600 -0.303 0.000 1.049 125 K CA 1.935 58.019 56.287 -0.339 0.000 0.936 125 K CB -0.148 32.035 32.500 -0.529 0.000 0.722 125 K HN -0.015 8.030 8.250 -0.341 0.000 0.446 126 K N -1.894 118.249 120.400 -0.429 0.000 2.167 126 K HA 0.117 4.307 4.320 -0.217 0.000 0.214 126 K C 1.974 178.478 176.600 -0.161 0.000 1.024 126 K CA 1.484 57.533 56.287 -0.397 0.000 0.951 126 K CB 0.198 32.166 32.500 -0.885 0.000 0.907 126 K HN 0.144 8.061 8.250 -0.540 0.009 0.459 127 E N 0.003 120.059 120.200 -0.240 0.000 2.028 127 E HA -0.247 4.159 4.350 0.094 0.000 0.191 127 E C 2.051 178.659 176.600 0.014 0.000 0.988 127 E CA 2.505 58.868 56.400 -0.062 0.000 0.799 127 E CB -0.265 29.364 29.700 -0.118 0.000 0.755 127 E HN -0.432 7.703 8.360 -0.375 0.000 0.447 128 A N -1.645 121.147 122.820 -0.047 0.000 1.877 128 A HA -0.189 4.124 4.320 -0.012 0.000 0.216 128 A C 2.044 179.612 177.584 -0.026 0.000 1.186 128 A CA 2.477 54.495 52.037 -0.030 0.000 0.620 128 A CB -0.226 18.748 19.000 -0.044 0.000 0.822 128 A HN -0.009 8.083 8.150 -0.096 0.000 0.443 129 S N -0.592 115.080 115.700 -0.046 0.000 2.345 129 S HA -0.214 4.229 4.470 -0.046 0.000 0.220 129 S C 0.497 175.079 174.600 -0.030 0.000 1.031 129 S CA 3.132 61.304 58.200 -0.046 0.000 0.996 129 S CB 0.409 63.566 63.200 -0.072 0.000 0.882 129 S HN -0.143 8.121 8.310 -0.077 0.000 0.445 130 A N 1.024 123.850 122.820 0.010 0.000 2.650 130 A HA 0.336 4.603 4.320 -0.088 0.000 0.320 130 A C 0.686 178.247 177.584 -0.037 0.000 1.466 130 A CA -1.333 50.681 52.037 -0.038 0.000 1.099 130 A CB -1.247 17.721 19.000 -0.054 0.000 1.136 130 A HN -0.103 8.080 8.150 0.054 0.000 0.532 131 G N 3.430 112.192 108.800 -0.063 0.000 2.462 131 G HA2 -0.449 3.506 3.960 -0.008 0.000 0.220 131 G HA3 -0.449 3.480 3.960 -0.053 0.000 0.220 131 G C 1.041 175.878 174.900 -0.105 0.000 1.121 131 G CA 1.744 46.812 45.100 -0.052 0.000 0.758 131 G HN 0.047 8.300 8.290 -0.062 0.000 0.559 132 N N 1.596 120.166 118.700 -0.218 0.000 2.184 132 N HA -0.375 4.229 4.740 -0.226 0.000 0.190 132 N C 1.885 177.164 175.510 -0.385 0.000 1.011 132 N CA 2.298 55.154 53.050 -0.322 0.000 0.867 132 N CB 0.020 38.248 38.487 -0.432 0.000 0.993 132 N HN -0.227 7.994 8.380 -0.215 0.030 0.433 133 F N -1.379 118.534 119.950 -0.062 0.000 2.202 133 F HA -0.434 4.063 4.527 -0.051 0.000 0.301 133 F C 1.787 177.572 175.800 -0.025 0.000 1.082 133 F CA 3.216 61.186 58.000 -0.051 0.000 1.313 133 F CB -0.695 38.267 39.000 -0.064 0.000 1.024 133 F HN -0.045 7.872 8.300 -0.419 0.131 0.495 134 A N -1.336 121.532 122.820 0.079 0.000 1.892 134 A HA -0.524 3.847 4.320 0.085 0.000 0.218 134 A C 1.329 178.951 177.584 0.064 0.000 1.188 134 A CA 4.002 56.078 52.037 0.064 0.000 0.631 134 A CB -1.098 17.921 19.000 0.032 0.000 0.822 134 A HN 0.535 8.574 8.150 0.035 0.132 0.447 135 D N -0.848 119.561 120.400 0.015 0.000 2.084 135 D HA -0.209 4.517 4.640 0.144 0.000 0.194 135 D C 2.468 178.823 176.300 0.091 0.000 0.990 135 D CA 3.106 57.130 54.000 0.040 0.000 0.826 135 D CB 0.056 40.790 40.800 -0.110 0.000 0.971 135 D HN -0.642 7.604 8.370 -0.042 0.098 0.453 136 L N -0.331 120.879 121.223 -0.022 0.000 2.042 136 L HA -0.462 3.878 4.340 0.001 0.000 0.210 136 L C 2.567 179.519 176.870 0.137 0.000 1.076 136 L CA 3.009 57.868 54.840 0.032 0.000 0.749 136 L CB -0.134 41.929 42.059 0.006 0.000 0.893 136 L HN 0.067 8.237 8.230 -0.100 0.000 0.432 137 L N -1.927 119.382 121.223 0.143 0.000 1.989 137 L HA -0.355 4.053 4.340 0.113 0.000 0.211 137 L C 3.208 180.138 176.870 0.100 0.000 1.071 137 L CA 2.978 57.891 54.840 0.121 0.000 0.749 137 L CB -0.539 41.588 42.059 0.114 0.000 0.890 137 L HN 0.298 8.504 8.230 0.145 0.112 0.431 138 A N -0.415 122.474 122.820 0.114 0.000 1.917 138 A HA -0.376 3.959 4.320 0.023 0.000 0.219 138 A C 2.202 179.785 177.584 -0.002 0.000 1.182 138 A CA 2.927 55.002 52.037 0.064 0.000 0.633 138 A CB -0.735 18.318 19.000 0.088 0.000 0.819 138 A HN 0.219 8.447 8.150 0.130 0.000 0.448 139 H N -4.110 114.958 119.070 -0.002 0.000 2.555 139 H HA -0.011 4.537 4.556 -0.012 0.000 0.269 139 H C 1.893 177.214 175.328 -0.011 0.000 0.988 139 H CA 0.952 56.994 56.048 -0.009 0.000 1.178 139 H CB -0.846 28.908 29.762 -0.014 0.000 1.373 139 H HN 0.167 8.575 8.280 0.366 0.092 0.588 140 S N 0.662 116.408 115.700 0.077 0.000 2.425 140 S HA -0.533 3.966 4.470 0.050 0.000 0.256 140 S C 1.585 176.185 174.600 -0.001 0.000 1.101 140 S CA 4.911 63.134 58.200 0.039 0.000 1.188 140 S CB -0.288 62.930 63.200 0.030 0.000 1.085 140 S HN -0.136 8.042 8.310 0.094 0.188 0.439 141 D N 0.812 121.201 120.400 -0.018 0.000 2.157 141 D HA -0.329 4.287 4.640 -0.039 0.000 0.191 141 D C 2.138 178.409 176.300 -0.047 0.000 1.004 141 D CA 2.970 56.948 54.000 -0.037 0.000 0.854 141 D CB -0.328 40.446 40.800 -0.043 0.000 0.936 141 D HN 0.126 8.477 8.370 -0.020 0.007 0.446 142 G N -1.911 106.871 108.800 -0.030 0.000 2.418 142 G HA2 -0.261 3.674 3.960 -0.041 0.000 0.217 142 G HA3 -0.261 3.704 3.960 0.009 0.000 0.217 142 G C 1.355 176.209 174.900 -0.077 0.000 1.158 142 G CA 2.100 47.182 45.100 -0.030 0.000 0.771 142 G HN 0.263 8.530 8.290 -0.013 0.015 0.545 143 L N 1.752 122.935 121.223 -0.067 0.000 2.056 143 L HA -0.353 3.861 4.340 -0.209 0.000 0.207 143 L C 2.016 178.745 176.870 -0.234 0.000 1.078 143 L CA 2.525 57.280 54.840 -0.143 0.000 0.749 143 L CB -0.280 41.755 42.059 -0.038 0.000 0.901 143 L HN -0.395 7.691 8.230 -0.020 0.131 0.433 144 I N -0.038 120.442 120.570 -0.150 0.000 2.118 144 I HA -0.609 3.450 4.170 -0.184 0.000 0.241 144 I C 2.202 178.203 176.117 -0.192 0.000 1.070 144 I CA 4.622 65.826 61.300 -0.160 0.000 1.327 144 I CB -0.583 37.358 38.000 -0.097 0.000 1.034 144 I HN 0.533 8.577 8.210 -0.094 0.109 0.405 145 K N -0.737 119.570 120.400 -0.155 0.000 2.009 145 K HA -0.460 3.790 4.320 -0.117 0.000 0.210 145 K C 2.318 178.798 176.600 -0.200 0.000 1.049 145 K CA 4.107 60.311 56.287 -0.139 0.000 0.929 145 K CB -0.435 32.009 32.500 -0.092 0.000 0.714 145 K HN 0.072 8.248 8.250 -0.123 0.000 0.440 146 N N -0.153 118.373 118.700 -0.291 0.000 2.011 146 N HA -0.371 4.200 4.740 -0.282 0.000 0.199 146 N C 2.097 177.265 175.510 -0.570 0.000 1.047 146 N CA 3.628 56.394 53.050 -0.473 0.000 0.863 146 N CB 0.112 38.115 38.487 -0.807 0.000 1.056 146 N HN -0.076 8.148 8.380 -0.261 0.000 0.427 147 I N 0.200 120.362 120.570 -0.680 0.000 2.226 147 I HA -0.382 3.484 4.170 -0.507 0.000 0.245 147 I C 1.421 177.361 176.117 -0.293 0.000 1.100 147 I CA 2.308 63.315 61.300 -0.488 0.000 1.374 147 I CB -0.117 37.649 38.000 -0.390 0.000 1.057 147 I HN 0.346 8.145 8.210 -0.686 0.000 0.413 148 S N 1.439 116.980 115.700 -0.265 0.000 2.359 148 S HA -0.413 3.914 4.470 -0.238 0.000 0.224 148 S C 2.052 176.595 174.600 -0.096 0.000 1.035 148 S CA 4.792 62.876 58.200 -0.193 0.000 1.018 148 S CB -0.565 62.538 63.200 -0.162 0.000 0.876 148 S HN 0.295 8.331 8.310 -0.280 0.106 0.448 149 D N 2.013 122.366 120.400 -0.078 0.000 2.104 149 D HA -0.298 4.355 4.640 0.022 0.000 0.194 149 D C 2.255 178.620 176.300 0.110 0.000 0.994 149 D CA 3.429 57.434 54.000 0.008 0.000 0.830 149 D CB -0.405 40.396 40.800 0.001 0.000 0.959 149 D HN 0.057 8.348 8.370 -0.131 0.000 0.452 150 D N 0.353 120.805 120.400 0.087 0.000 2.123 150 D HA -0.253 4.758 4.640 0.619 0.000 0.196 150 D C 2.807 179.338 176.300 0.386 0.000 0.992 150 D CA 3.749 57.909 54.000 0.266 0.000 0.833 150 D CB -0.152 40.591 40.800 -0.094 0.000 0.954 150 D HN 0.134 8.470 8.370 -0.056 0.000 0.455 151 L N -1.423 119.882 121.223 0.135 0.000 2.156 151 L HA -0.300 4.169 4.340 0.215 0.000 0.208 151 L C 2.137 179.082 176.870 0.125 0.000 1.095 151 L CA 2.903 57.815 54.840 0.120 0.000 0.770 151 L CB -0.575 41.456 42.059 -0.047 0.000 0.914 151 L HN 0.417 8.466 8.230 0.004 0.183 0.439 152 R N -0.766 119.789 120.500 0.093 0.000 2.081 152 R HA -0.365 4.016 4.340 0.068 0.000 0.235 152 R C 2.641 178.984 176.300 0.072 0.000 1.131 152 R CA 3.657 59.802 56.100 0.074 0.000 0.960 152 R CB -0.497 29.834 30.300 0.051 0.000 0.856 152 R HN 0.516 8.636 8.270 0.070 0.192 0.436 153 A N 1.180 124.068 122.820 0.113 0.000 1.865 153 A HA -0.215 4.075 4.320 -0.051 0.000 0.217 153 A C 1.845 179.381 177.584 -0.080 0.000 1.191 153 A CA 3.085 55.116 52.037 -0.009 0.000 0.623 153 A CB -0.865 18.112 19.000 -0.038 0.000 0.826 153 A HN 0.055 8.246 8.150 0.201 0.080 0.444 154 L N -1.640 119.618 121.223 0.058 0.000 2.081 154 L HA -0.390 3.890 4.340 -0.100 0.000 0.212 154 L C 1.367 178.239 176.870 0.004 0.000 1.080 154 L CA 2.933 57.794 54.840 0.035 0.000 0.754 154 L CB -1.034 41.160 42.059 0.225 0.000 0.893 154 L HN -0.005 8.396 8.230 0.284 0.000 0.433 155 D N -1.305 119.122 120.400 0.044 0.000 2.123 155 D HA -0.410 4.263 4.640 0.056 0.000 0.196 155 D C 1.810 178.118 176.300 0.013 0.000 0.992 155 D CA 4.012 58.039 54.000 0.047 0.000 0.833 155 D CB 0.135 40.978 40.800 0.072 0.000 0.954 155 D HN 0.414 8.620 8.370 0.077 0.211 0.455 156 K N -1.525 118.867 120.400 -0.013 0.000 2.057 156 K HA -0.217 4.095 4.320 -0.014 0.000 0.207 156 K C 2.987 179.556 176.600 -0.052 0.000 1.049 156 K CA 2.004 58.271 56.287 -0.033 0.000 0.931 156 K CB -0.468 32.000 32.500 -0.054 0.000 0.714 156 K HN -0.299 7.852 8.250 -0.013 0.091 0.440 157 L N -1.491 119.681 121.223 -0.086 0.000 2.093 157 L HA -0.228 4.056 4.340 -0.093 0.000 0.208 157 L C 0.794 177.629 176.870 -0.059 0.000 1.085 157 L CA 1.550 56.332 54.840 -0.097 0.000 0.755 157 L CB 0.383 42.349 42.059 -0.155 0.000 0.904 157 L HN -0.407 7.683 8.230 -0.105 0.077 0.435 158 I N -0.506 120.032 120.570 -0.053 0.000 3.085 158 I HA -0.475 3.771 4.170 -0.063 -0.113 0.302 158 I C 1.084 177.209 176.117 0.014 0.000 1.234 158 I CA 1.769 63.048 61.300 -0.035 0.000 1.396 158 I CB -0.677 37.304 38.000 -0.032 0.000 1.385 158 I HN -0.210 7.966 8.210 -0.057 0.000 0.533 159 V N 9.344 129.275 119.914 0.027 0.000 2.323 159 V HA -0.282 3.850 4.120 0.021 0.000 0.244 159 V C -0.179 175.950 176.094 0.058 0.000 1.041 159 V CA 3.361 65.682 62.300 0.035 0.000 1.025 159 V CB 0.344 32.185 31.823 0.030 0.000 0.656 159 V HN 0.696 8.791 8.190 0.023 0.108 0.451 160 K N -3.830 116.627 120.400 0.095 0.000 2.426 160 K HA 0.409 4.778 4.320 0.081 0.000 0.251 160 K C -2.262 174.453 176.600 0.191 0.000 0.941 160 K CA -3.108 53.242 56.287 0.106 0.000 0.808 160 K CB 1.988 34.535 32.500 0.077 0.000 1.265 160 K HN -0.707 7.614 8.250 0.119 0.000 0.432 161 P HA 0.021 4.683 4.420 0.404 0.000 0.225 161 P C -1.602 175.712 177.300 0.024 0.000 1.768 161 P CA 0.113 63.331 63.100 0.197 0.000 0.943 161 P CB -1.285 30.482 31.700 0.111 0.000 1.936 162 N N -4.128 114.589 118.700 0.029 0.000 2.511 162 N HA -0.104 4.286 4.740 -0.583 0.000 0.312 162 N C -1.988 173.527 175.510 0.009 0.000 0.637 162 N CA 0.916 53.838 53.050 -0.213 0.000 0.827 162 N CB 0.247 38.649 38.487 -0.142 0.000 2.277 162 N HN 0.028 8.515 8.380 0.313 0.082 1.416 163 A N 0.913 123.811 122.820 0.130 0.000 2.391 163 A HA 0.152 4.698 4.320 0.180 -0.118 0.316 163 A C 0.181 177.905 177.584 0.235 0.000 1.381 163 A CA -0.963 51.177 52.037 0.171 0.000 0.998 163 A CB -0.551 18.500 19.000 0.085 0.000 1.147 163 A HN -0.576 7.633 8.150 0.098 0.000 0.545 164 V N 5.282 125.384 119.914 0.313 0.000 2.317 164 V HA -0.410 3.755 4.120 0.074 0.000 0.251 164 V C -0.447 175.688 176.094 0.069 0.000 1.065 164 V CA 3.160 65.536 62.300 0.127 0.000 1.049 164 V CB 0.896 32.738 31.823 0.032 0.000 0.651 164 V HN 0.659 9.525 8.190 0.426 -0.420 0.450 165 N N -3.609 115.137 118.700 0.076 0.000 2.458 165 N HA 0.124 4.883 4.740 0.031 0.000 0.274 165 N C 0.089 175.626 175.510 0.046 0.000 1.242 165 N CA -1.161 51.917 53.050 0.047 0.000 0.904 165 N CB -0.147 38.364 38.487 0.041 0.000 1.206 165 N HN -0.301 8.127 8.380 0.101 0.013 0.510 166 G N 1.528 110.362 108.800 0.056 0.000 2.609 166 G HA2 -0.507 3.482 3.960 0.047 0.000 0.235 166 G HA3 -0.507 3.472 3.960 0.032 0.000 0.235 166 G C -0.948 173.976 174.900 0.040 0.000 1.177 166 G CA 1.479 46.605 45.100 0.044 0.000 0.707 166 G HN 0.586 8.757 8.290 0.076 0.165 0.513 167 E N 1.558 121.782 120.200 0.039 0.000 2.202 167 E HA 0.300 4.666 4.350 0.027 0.000 0.272 167 E C -0.271 176.358 176.600 0.047 0.000 0.951 167 E CA -2.328 54.092 56.400 0.033 0.000 0.813 167 E CB 1.364 31.078 29.700 0.023 0.000 1.151 167 E HN -0.224 8.052 8.360 0.041 0.109 0.398 168 L N 4.056 125.303 121.223 0.039 0.000 2.499 168 L HA 0.023 4.573 4.340 0.072 -0.167 0.273 168 L C 0.037 176.938 176.870 0.051 0.000 1.195 168 L CA 1.160 56.029 54.840 0.049 0.000 0.882 168 L CB -0.244 41.831 42.059 0.026 0.000 1.133 168 L HN 0.582 8.827 8.230 0.025 0.000 0.483 169 S N 3.532 119.276 115.700 0.073 0.000 2.607 169 S HA 0.313 4.845 4.470 0.053 -0.030 0.273 169 S C -0.365 174.290 174.600 0.091 0.000 1.148 169 S CA -0.875 57.367 58.200 0.070 0.000 0.833 169 S CB 3.166 66.406 63.200 0.067 0.000 1.130 169 S HN 0.812 9.603 8.310 0.096 -0.424 0.470 170 E N 1.439 121.693 120.200 0.090 0.000 2.333 170 E HA -0.342 4.075 4.350 0.111 0.000 0.198 170 E C 1.365 178.034 176.600 0.115 0.000 1.007 170 E CA 3.537 60.002 56.400 0.109 0.000 0.845 170 E CB -0.248 29.529 29.700 0.129 0.000 0.766 170 E HN 0.665 9.071 8.360 0.075 0.000 0.507 171 D N -0.995 119.472 120.400 0.111 0.000 2.149 171 D HA -0.294 4.416 4.640 0.116 0.000 0.198 171 D C 1.832 178.229 176.300 0.161 0.000 0.990 171 D CA 3.804 57.876 54.000 0.120 0.000 0.839 171 D CB -0.755 40.104 40.800 0.098 0.000 0.948 171 D HN 0.234 8.628 8.370 0.097 0.035 0.460 172 D N -0.051 120.465 120.400 0.193 0.000 2.117 172 D HA -0.167 4.710 4.640 0.395 0.000 0.198 172 D C 2.297 178.759 176.300 0.270 0.000 0.982 172 D CA 3.234 57.409 54.000 0.291 0.000 0.828 172 D CB 0.038 40.994 40.800 0.260 0.000 0.967 172 D HN 0.029 8.359 8.370 0.160 0.136 0.464 173 I N -1.042 119.639 120.570 0.185 0.000 2.264 173 I HA -0.278 3.994 4.170 0.170 0.000 0.248 173 I C 1.726 177.931 176.117 0.147 0.000 1.111 173 I CA 2.668 64.057 61.300 0.149 0.000 1.382 173 I CB -0.947 37.106 38.000 0.089 0.000 1.060 173 I HN -0.793 7.427 8.210 0.156 0.083 0.418 174 Q N -2.910 116.979 119.800 0.149 0.000 2.020 174 Q HA -0.243 4.176 4.340 0.133 0.000 0.198 174 Q C 2.534 178.639 176.000 0.174 0.000 0.974 174 Q CA 1.425 57.316 55.803 0.146 0.000 0.829 174 Q CB 0.046 28.865 28.738 0.135 0.000 0.894 174 Q HN -0.296 7.969 8.270 0.146 0.092 0.433 175 L N 0.638 121.989 121.223 0.212 0.000 1.943 175 L HA -0.370 4.086 4.340 0.193 0.000 0.215 175 L C 1.394 178.462 176.870 0.331 0.000 1.074 175 L CA 3.058 58.044 54.840 0.244 0.000 0.759 175 L CB -0.502 41.675 42.059 0.197 0.000 0.888 175 L HN 0.305 8.547 8.230 0.204 0.111 0.433 176 F N -0.355 119.788 119.950 0.323 0.000 2.069 176 F HA -0.307 4.456 4.527 0.393 0.000 0.298 176 F C -1.156 174.769 175.800 0.209 0.000 1.113 176 F CA 5.072 63.250 58.000 0.297 0.000 1.214 176 F CB -3.017 36.099 39.000 0.193 0.000 0.978 176 F HN 0.346 8.981 8.300 0.558 0.000 0.474 177 P HA -0.401 3.800 4.420 -0.365 0.000 0.216 177 P C 1.044 178.299 177.300 -0.075 0.000 1.157 177 P CA 3.456 66.446 63.100 -0.184 0.000 0.880 177 P CB -0.386 31.324 31.700 0.017 0.000 0.791 178 L N -2.422 118.830 121.223 0.048 0.000 1.994 178 L HA -0.376 4.024 4.340 0.101 0.000 0.208 178 L C 1.667 178.622 176.870 0.142 0.000 1.071 178 L CA 3.070 57.972 54.840 0.104 0.000 0.745 178 L CB -0.699 41.436 42.059 0.128 0.000 0.892 178 L HN -0.271 7.938 8.230 0.090 0.076 0.431 179 L N -2.382 118.952 121.223 0.185 0.000 2.042 179 L HA -0.492 4.190 4.340 0.569 0.000 0.210 179 L C 2.291 179.272 176.870 0.185 0.000 1.076 179 L CA 3.251 58.304 54.840 0.355 0.000 0.749 179 L CB -0.936 41.376 42.059 0.422 0.000 0.893 179 L HN 0.510 8.842 8.230 0.171 0.000 0.432 180 R N -0.501 119.917 120.500 -0.136 0.000 2.082 180 R HA -0.495 3.743 4.340 -0.170 0.000 0.234 180 R C 1.831 178.151 176.300 0.033 0.000 1.136 180 R CA 3.370 59.341 56.100 -0.215 0.000 0.935 180 R CB -0.187 29.764 30.300 -0.581 0.000 0.842 180 R HN 0.547 8.446 8.270 -0.281 0.203 0.430 181 N N -0.028 118.720 118.700 0.080 0.000 2.104 181 N HA -0.241 4.642 4.740 0.239 0.000 0.190 181 N C 2.742 178.409 175.510 0.262 0.000 1.024 181 N CA 2.917 56.089 53.050 0.202 0.000 0.853 181 N CB -1.046 37.569 38.487 0.215 0.000 1.008 181 N HN -0.076 8.316 8.380 0.020 0.000 0.424 182 L N -0.095 121.291 121.223 0.273 0.000 2.129 182 L HA -0.338 4.149 4.340 0.246 0.000 0.212 182 L C 2.238 179.409 176.870 0.502 0.000 1.087 182 L CA 3.037 58.089 54.840 0.352 0.000 0.757 182 L CB -0.802 41.484 42.059 0.378 0.000 0.896 182 L HN 0.348 8.719 8.230 0.236 0.000 0.434 183 T N -1.511 113.319 114.554 0.460 0.000 2.822 183 T HA -0.404 4.283 4.350 0.562 0.000 0.270 183 T C 1.688 176.572 174.700 0.307 0.000 1.064 183 T CA 3.167 65.477 62.100 0.349 0.000 1.131 183 T CB -0.319 68.586 68.868 0.060 0.000 0.858 183 T HN -0.100 8.237 8.240 0.345 0.111 0.483 184 L N 1.268 122.670 121.223 0.299 0.000 2.043 184 L HA -0.222 4.259 4.340 0.235 0.000 0.212 184 L C -0.311 176.706 176.870 0.246 0.000 1.075 184 L CA 2.483 57.495 54.840 0.288 0.000 0.752 184 L CB 0.359 42.669 42.059 0.418 0.000 0.891 184 L HN -0.285 8.110 8.230 0.316 0.024 0.432 185 V N -0.231 119.828 119.914 0.242 0.000 2.242 185 V HA -0.059 4.299 4.120 0.141 -0.153 0.242 185 V C 0.918 177.124 176.094 0.187 0.000 1.240 185 V CA -0.609 61.792 62.300 0.168 0.000 1.211 185 V CB -2.537 29.348 31.823 0.104 0.000 1.338 185 V HN -0.073 8.141 8.190 0.280 0.144 0.499 186 A N 8.462 131.385 122.820 0.173 0.000 1.971 186 A HA -0.301 4.162 4.320 0.237 0.000 0.222 186 A C 0.538 178.196 177.584 0.124 0.000 1.182 186 A CA 3.034 55.174 52.037 0.171 0.000 0.649 186 A CB -0.189 18.883 19.000 0.120 0.000 0.818 186 A HN 0.285 8.490 8.150 0.154 0.036 0.458 187 G N -2.216 106.622 108.800 0.063 0.000 2.505 187 G HA2 -0.264 3.702 3.960 0.010 0.000 0.220 187 G HA3 -0.264 3.690 3.960 -0.010 0.000 0.220 187 G C 0.258 175.119 174.900 -0.065 0.000 1.145 187 G CA 0.669 45.771 45.100 0.003 0.000 0.761 187 G HN -0.224 8.085 8.290 0.071 0.024 0.571 188 I N 1.757 122.239 120.570 -0.147 0.000 2.752 188 I HA -0.346 3.630 4.170 -0.323 0.000 0.286 188 I C -0.844 175.040 176.117 -0.388 0.000 1.180 188 I CA -0.797 60.264 61.300 -0.398 0.000 1.404 188 I CB -0.051 37.503 38.000 -0.744 0.000 1.389 188 I HN -0.548 7.598 8.210 -0.071 0.021 0.549 189 N N 10.169 128.725 118.700 -0.241 0.000 2.498 189 N HA -0.147 4.595 4.740 0.003 0.000 0.277 189 N C -0.554 174.898 175.510 -0.097 0.000 1.208 189 N CA -0.132 52.861 53.050 -0.095 0.000 1.029 189 N CB -0.123 38.335 38.487 -0.049 0.000 1.403 189 N HN -0.045 8.197 8.380 -0.230 0.000 0.500 190 W N 5.089 126.417 121.300 0.047 0.000 2.505 190 W HA -0.128 4.572 4.660 0.068 0.000 0.332 190 W C -1.397 175.157 176.519 0.059 0.000 1.434 190 W CA -1.079 56.303 57.345 0.062 0.000 1.320 190 W CB -0.409 29.094 29.460 0.073 0.000 1.363 190 W HN -0.477 7.737 8.180 0.106 0.030 0.565 191 P HA 0.306 4.812 4.420 0.144 0.000 0.276 191 P C 0.157 177.580 177.300 0.206 0.000 1.252 191 P CA -1.042 62.165 63.100 0.178 0.000 0.802 191 P CB 1.350 33.122 31.700 0.120 0.000 1.035 192 S N 2.590 118.377 115.700 0.145 0.000 2.378 192 S HA -0.422 4.124 4.470 0.125 0.000 0.221 192 S C 2.034 176.717 174.600 0.139 0.000 1.037 192 S CA 3.605 61.880 58.200 0.125 0.000 1.069 192 S CB -0.401 62.852 63.200 0.089 0.000 1.006 192 S HN 0.311 8.690 8.310 0.116 0.000 0.423 193 R N 2.348 122.925 120.500 0.128 0.000 2.096 193 R HA -0.206 4.367 4.340 0.126 -0.157 0.235 193 R C 2.711 179.128 176.300 0.195 0.000 1.127 193 R CA 2.687 58.868 56.100 0.135 0.000 0.968 193 R CB -0.324 30.037 30.300 0.101 0.000 0.861 193 R HN -0.688 7.727 8.270 0.110 -0.079 0.440 194 V N 0.657 120.701 119.914 0.216 0.000 2.261 194 V HA -0.433 3.849 4.120 0.270 0.000 0.246 194 V C 1.636 177.935 176.094 0.342 0.000 1.047 194 V CA 3.643 66.126 62.300 0.305 0.000 1.015 194 V CB -0.970 31.072 31.823 0.364 0.000 0.642 194 V HN 0.161 8.798 8.190 0.191 -0.333 0.446 195 A N -0.289 122.701 122.820 0.284 0.000 1.892 195 A HA -0.471 3.869 4.320 0.033 0.000 0.218 195 A C 1.914 179.558 177.584 0.099 0.000 1.188 195 A CA 3.655 55.776 52.037 0.140 0.000 0.631 195 A CB -0.914 18.161 19.000 0.126 0.000 0.822 195 A HN 0.506 8.837 8.150 0.303 0.000 0.447 196 D N -0.251 120.222 120.400 0.122 0.000 2.087 196 D HA -0.307 4.507 4.640 0.040 -0.150 0.192 196 D C 2.157 178.508 176.300 0.084 0.000 0.993 196 D CA 3.571 57.621 54.000 0.085 0.000 0.828 196 D CB -0.410 40.446 40.800 0.092 0.000 0.968 196 D HN 0.121 8.469 8.370 0.143 0.108 0.448 197 Y N 1.449 121.775 120.300 0.043 0.000 2.040 197 Y HA -0.551 4.069 4.550 0.013 -0.063 0.275 197 Y C 1.453 177.365 175.900 0.020 0.000 1.171 197 Y CA 4.099 62.224 58.100 0.041 0.000 1.123 197 Y CB 0.105 38.621 38.460 0.094 0.000 0.963 197 Y HN 0.228 8.582 8.280 0.306 0.109 0.493 198 R N -1.651 118.996 120.500 0.245 0.000 2.082 198 R HA -0.548 4.036 4.340 0.406 0.000 0.234 198 R C 1.836 178.124 176.300 -0.020 0.000 1.136 198 R CA 3.938 60.174 56.100 0.226 0.000 0.935 198 R CB -0.137 30.284 30.300 0.202 0.000 0.842 198 R HN 0.337 8.752 8.270 0.420 0.107 0.430 199 D N -2.357 118.016 120.400 -0.046 0.000 2.178 199 D HA -0.267 4.340 4.640 -0.055 0.000 0.202 199 D C 2.264 178.467 176.300 -0.161 0.000 0.974 199 D CA 3.177 57.128 54.000 -0.082 0.000 0.841 199 D CB -0.938 39.827 40.800 -0.058 0.000 0.953 199 D HN 0.432 8.688 8.370 -0.010 0.109 0.478 200 N N 1.083 119.664 118.700 -0.200 0.000 2.058 200 N HA -0.252 4.378 4.740 -0.183 0.000 0.191 200 N C 2.393 177.665 175.510 -0.396 0.000 1.037 200 N CA 2.743 55.644 53.050 -0.248 0.000 0.848 200 N CB -0.264 38.089 38.487 -0.224 0.000 1.021 200 N HN 0.091 8.376 8.380 -0.158 0.000 0.422 201 M N -0.588 118.623 119.600 -0.649 0.000 2.149 201 M HA -0.402 3.656 4.480 -0.703 0.000 0.261 201 M C 1.826 177.487 176.300 -1.065 0.000 1.064 201 M CA 3.960 58.665 55.300 -0.992 0.000 1.102 201 M CB -0.394 31.323 32.600 -1.473 0.000 1.369 201 M HN 0.358 8.254 8.290 -0.657 0.000 0.408 202 A N 0.770 123.104 122.820 -0.810 0.000 1.851 202 A HA -0.260 3.993 4.320 -0.112 0.000 0.216 202 A C 2.035 179.515 177.584 -0.173 0.000 1.195 202 A CA 3.225 55.105 52.037 -0.261 0.000 0.622 202 A CB -0.685 18.327 19.000 0.021 0.000 0.831 202 A HN 0.638 8.275 8.150 -0.673 0.109 0.444 203 K N -3.139 117.159 120.400 -0.170 0.000 2.152 203 K HA -0.319 3.956 4.320 -0.075 0.000 0.206 203 K C 2.727 179.253 176.600 -0.123 0.000 1.048 203 K CA 2.761 58.978 56.287 -0.116 0.000 0.933 203 K CB -0.116 32.321 32.500 -0.105 0.000 0.721 203 K HN -0.009 8.016 8.250 -0.195 0.108 0.447 204 Q N -3.248 116.441 119.800 -0.185 0.000 2.020 204 Q HA -0.204 4.069 4.340 -0.112 0.000 0.198 204 Q C 2.120 178.053 176.000 -0.111 0.000 0.974 204 Q CA 2.992 58.702 55.803 -0.155 0.000 0.829 204 Q CB 0.503 29.117 28.738 -0.207 0.000 0.894 204 Q HN -0.072 7.944 8.270 -0.263 0.096 0.433 205 T N -4.807 109.666 114.554 -0.134 0.000 2.951 205 T HA -0.213 4.133 4.350 -0.006 0.000 0.268 205 T C 0.406 175.121 174.700 0.025 0.000 1.073 205 T CA 2.021 64.106 62.100 -0.025 0.000 1.134 205 T CB 0.672 69.569 68.868 0.048 0.000 0.884 205 T HN 0.113 8.093 8.240 -0.251 0.110 0.479 206 Q N -5.793 114.010 119.800 0.006 0.000 2.385 206 Q HA -0.415 3.929 4.340 0.007 0.000 0.215 206 Q C -1.196 174.843 176.000 0.065 0.000 0.671 206 Q CA 1.242 57.060 55.803 0.025 0.000 1.335 206 Q CB -3.069 25.682 28.738 0.021 0.000 1.425 206 Q HN 0.431 8.653 8.270 -0.036 0.027 0.781 207 I N 1.721 122.368 120.570 0.128 0.000 2.379 207 I HA -0.170 4.072 4.170 0.119 0.000 0.290 207 I C -0.778 175.436 176.117 0.162 0.000 1.063 207 I CA -0.181 61.222 61.300 0.172 0.000 1.351 207 I CB -0.115 38.053 38.000 0.279 0.000 1.410 207 I HN -0.451 7.793 8.210 0.139 0.049 0.505 208 N N 7.706 126.465 118.700 0.098 0.000 2.454 208 N HA -0.140 4.639 4.740 0.065 0.000 0.254 208 N C -0.723 174.838 175.510 0.085 0.000 1.228 208 N CA 0.070 53.165 53.050 0.073 0.000 0.900 208 N CB 0.723 39.235 38.487 0.042 0.000 1.089 208 N HN 0.135 8.562 8.380 0.078 0.000 0.449 209 L N -1.011 120.251 121.223 0.065 0.000 2.472 209 L HA -0.185 4.187 4.340 0.054 0.000 0.260 209 L C 0.681 177.581 176.870 0.050 0.000 1.209 209 L CA 0.853 55.721 54.840 0.047 0.000 0.817 209 L CB 0.339 42.398 42.059 -0.000 0.000 1.106 209 L HN 0.280 8.540 8.230 0.049 0.000 0.479 210 L N -0.137 121.131 121.223 0.075 0.000 2.645 210 L HA 0.100 4.466 4.340 0.043 0.000 0.234 210 L C 1.423 178.325 176.870 0.054 0.000 1.165 210 L CA -1.278 53.609 54.840 0.079 0.000 0.944 210 L CB -2.326 39.835 42.059 0.170 0.000 1.149 210 L HN 0.565 8.846 8.230 0.085 0.000 0.446 211 S N 1.536 117.258 115.700 0.036 0.000 2.372 211 S HA -0.372 4.130 4.470 0.053 0.000 0.227 211 S C 2.309 176.923 174.600 0.022 0.000 1.044 211 S CA 3.823 62.042 58.200 0.031 0.000 1.050 211 S CB -0.452 62.751 63.200 0.006 0.000 0.901 211 S HN 0.289 8.524 8.310 0.024 0.090 0.447 212 S N 1.511 117.213 115.700 0.003 0.000 2.419 212 S HA -0.196 4.271 4.470 -0.004 0.000 0.235 212 S C 1.052 175.637 174.600 -0.024 0.000 1.019 212 S CA 2.645 60.838 58.200 -0.011 0.000 0.982 212 S CB -0.284 62.902 63.200 -0.023 0.000 0.789 212 S HN 0.191 8.493 8.310 0.001 0.009 0.490 213 M N -0.807 118.771 119.600 -0.036 0.000 2.371 213 M HA 0.092 4.528 4.480 -0.074 0.000 0.246 213 M C -0.596 175.705 176.300 0.002 0.000 1.103 213 M CA -0.639 54.620 55.300 -0.068 0.000 1.010 213 M CB 0.982 33.465 32.600 -0.195 0.000 1.457 213 M HN -0.414 7.691 8.290 -0.020 0.173 0.486 214 A N 0.168 123.015 122.820 0.045 0.000 2.511 214 A HA -0.015 4.533 4.320 0.125 -0.153 0.242 214 A C -0.585 177.049 177.584 0.084 0.000 1.069 214 A CA 0.522 52.615 52.037 0.093 0.000 0.763 214 A CB 1.288 20.356 19.000 0.113 0.000 1.001 214 A HN -0.360 7.616 8.150 0.036 0.196 0.498 215 I N 0.000 120.633 120.570 0.105 0.000 2.984 215 I HA 0.000 4.213 4.170 0.071 0.000 0.288 215 I CA 0.000 61.352 61.300 0.087 0.000 1.566 215 I CB 0.000 38.051 38.000 0.085 0.000 1.214 215 I HN 0.000 8.290 8.210 0.134 0.000 0.494