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 3g3f_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRSLIVTTIL EEPYVLFKKS DKPLYGNDRF EGYCIDLLRE LSTILGFTYE DATA SEQUENCE IRLVEDGKYG AQDDVNGQWN GMVRELIDHK ADLAVAPLAI TYVREKVIDF DATA SEQUENCE SKPFMTLGIS ILYRKGTPID SADDLAKQTK IEYGAVEDGA TMTFFKKSKI DATA SEQUENCE STYDKMWAFM SSRRQSVLVK SNEEGIQRVL TSDYAFLMES TTIEFVTQRN DATA SEQUENCE CNLTQIGGLI DSKGYGVGTP MGSPYRDKIT IAILQLQEEG KLHMMKEKWW DATA SEQUENCE R 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 3 N HA 0.000 4.768 4.740 0.047 0.000 0.220 3 N C 0.000 175.545 175.510 0.058 0.000 1.280 3 N CA 0.000 53.084 53.050 0.057 0.000 0.885 3 N CB 0.000 38.535 38.487 0.080 0.000 1.341 4 R N 1.654 122.187 120.500 0.056 0.000 2.537 4 R HA 0.045 4.406 4.340 0.035 0.000 0.280 4 R C -0.066 176.266 176.300 0.054 0.000 1.058 4 R CA -0.011 56.115 56.100 0.044 0.000 1.057 4 R CB 0.661 30.983 30.300 0.036 0.000 0.973 4 R HN 0.225 8.530 8.270 0.058 0.000 0.438 5 S N 2.418 118.144 115.700 0.044 0.000 2.564 5 S HA -0.078 4.600 4.470 0.097 -0.149 0.278 5 S C -0.094 174.521 174.600 0.024 0.000 1.333 5 S CA 0.047 58.282 58.200 0.058 0.000 1.048 5 S CB 0.787 64.010 63.200 0.038 0.000 0.900 5 S HN 0.043 8.373 8.310 0.033 0.000 0.505 6 L N 4.074 125.301 121.223 0.007 0.000 2.380 6 L HA -0.016 4.364 4.340 -0.145 -0.127 0.273 6 L C -0.375 176.464 176.870 -0.052 0.000 1.138 6 L CA -0.256 54.509 54.840 -0.125 0.000 0.832 6 L CB 0.825 42.641 42.059 -0.406 0.000 1.124 6 L HN 0.089 8.364 8.230 0.075 0.000 0.454 7 I N 2.799 123.318 120.570 -0.085 0.000 2.352 7 I HA 0.094 4.405 4.170 -0.019 -0.152 0.290 7 I C -0.433 175.618 176.117 -0.109 0.000 1.036 7 I CA 0.082 61.346 61.300 -0.060 0.000 1.336 7 I CB 0.318 38.286 38.000 -0.053 0.000 1.407 7 I HN 0.281 8.755 8.210 -0.105 -0.328 0.497 8 V N 8.681 128.542 119.914 -0.087 0.000 2.334 8 V HA 0.451 4.654 4.120 -0.177 -0.189 0.281 8 V C -0.907 175.094 176.094 -0.155 0.000 1.016 8 V CA -1.618 60.595 62.300 -0.145 0.000 0.832 8 V CB 1.422 33.151 31.823 -0.156 0.000 0.999 8 V HN 0.450 8.614 8.190 -0.043 0.000 0.439 9 T N 8.851 123.308 114.554 -0.162 0.000 2.897 9 T HA 0.704 5.196 4.350 -0.156 -0.236 0.294 9 T C -0.698 173.883 174.700 -0.199 0.000 1.004 9 T CA -0.584 61.418 62.100 -0.163 0.000 1.106 9 T CB 0.867 69.651 68.868 -0.139 0.000 0.949 9 T HN 0.201 8.343 8.240 -0.164 0.000 0.520 10 T N 4.993 119.411 114.554 -0.226 0.000 2.671 10 T HA 0.381 4.588 4.350 -0.238 0.000 0.300 10 T C -2.653 171.889 174.700 -0.264 0.000 1.238 10 T CA -2.121 59.823 62.100 -0.260 0.000 1.020 10 T CB 1.871 70.544 68.868 -0.325 0.000 1.503 10 T HN -0.301 7.811 8.240 -0.213 0.000 0.497 11 I N -0.375 120.027 120.570 -0.280 0.000 2.827 11 I HA 0.267 4.297 4.170 -0.234 0.000 0.298 11 I C -2.680 173.312 176.117 -0.209 0.000 1.235 11 I CA -1.144 59.990 61.300 -0.277 0.000 1.021 11 I CB 3.247 40.963 38.000 -0.473 0.000 1.259 11 I HN 0.277 8.325 8.210 -0.270 0.000 0.427 12 L N 5.681 126.808 121.223 -0.161 0.000 2.410 12 L HA -0.110 4.264 4.340 -0.149 -0.124 0.273 12 L C -0.729 176.117 176.870 -0.039 0.000 1.144 12 L CA 0.125 54.891 54.840 -0.124 0.000 0.863 12 L CB -0.097 41.888 42.059 -0.124 0.000 1.140 12 L HN 0.241 8.382 8.230 -0.148 0.000 0.463 13 E N 4.458 124.652 120.200 -0.010 0.000 2.454 13 E HA 0.151 4.556 4.350 0.092 0.000 0.315 13 E C -2.004 174.622 176.600 0.042 0.000 0.907 13 E CA -0.899 55.554 56.400 0.087 0.000 0.797 13 E CB 3.247 33.057 29.700 0.183 0.000 1.396 13 E HN 0.281 8.616 8.360 -0.042 0.000 0.389 14 E N 6.204 126.358 120.200 -0.078 0.000 2.360 14 E HA 0.021 4.146 4.350 -0.376 0.000 0.269 14 E C -1.057 175.083 176.600 -0.767 0.000 1.022 14 E CA -1.629 54.555 56.400 -0.359 0.000 0.887 14 E CB 0.132 29.676 29.700 -0.259 0.000 0.990 14 E HN 0.164 8.507 8.360 -0.029 0.000 0.426 15 P HA 0.305 4.267 4.420 -0.764 0.000 0.266 15 P C -0.681 176.095 177.300 -0.873 0.000 1.561 15 P CA -0.075 62.369 63.100 -1.094 0.000 1.089 15 P CB 0.413 31.259 31.700 -1.422 0.000 1.534 16 Y N 0.535 120.576 120.300 -0.432 0.000 2.243 16 Y HA -0.074 4.353 4.550 -0.205 0.000 0.293 16 Y C 0.164 175.876 175.900 -0.313 0.000 1.124 16 Y CA 3.879 61.820 58.100 -0.266 0.000 1.159 16 Y CB 0.830 39.219 38.460 -0.119 0.000 1.008 16 Y HN -0.261 7.664 8.280 -0.468 0.074 0.527 17 V N -3.332 116.511 119.914 -0.118 0.000 2.655 17 V HA 0.381 4.531 4.120 -0.183 -0.139 0.301 17 V C -1.900 174.111 176.094 -0.138 0.000 1.082 17 V CA -0.612 61.599 62.300 -0.149 0.000 0.899 17 V CB 2.502 34.238 31.823 -0.145 0.000 1.014 17 V HN -0.324 7.817 8.190 -0.082 0.000 0.429 18 L N 4.047 125.203 121.223 -0.112 0.000 2.376 18 L HA 0.423 4.700 4.340 -0.105 0.000 0.258 18 L C -1.476 175.382 176.870 -0.021 0.000 1.013 18 L CA -1.031 53.765 54.840 -0.074 0.000 0.822 18 L CB 4.411 46.453 42.059 -0.027 0.000 1.388 18 L HN 0.472 8.646 8.230 -0.094 0.000 0.413 19 F N 0.828 120.787 119.950 0.015 0.000 2.456 19 F HA 0.197 4.787 4.527 -0.181 -0.172 0.358 19 F C 0.993 176.764 175.800 -0.048 0.000 1.095 19 F CA -0.334 57.611 58.000 -0.092 0.000 1.216 19 F CB 0.856 39.781 39.000 -0.126 0.000 1.125 19 F HN 0.151 8.470 8.300 0.031 0.000 0.549 20 K N 4.881 125.374 120.400 0.156 0.000 2.436 20 K HA -0.157 4.235 4.320 0.120 0.000 0.275 20 K C -0.126 176.505 176.600 0.051 0.000 0.999 20 K CA 0.576 56.922 56.287 0.098 0.000 0.980 20 K CB 0.528 33.068 32.500 0.066 0.000 0.919 20 K HN -0.080 8.251 8.250 0.135 0.000 0.484 21 K N 3.081 123.512 120.400 0.050 0.000 2.249 21 K HA 0.047 4.366 4.320 -0.001 0.000 0.280 21 K C -0.746 175.852 176.600 -0.004 0.000 1.033 21 K CA 0.528 56.825 56.287 0.016 0.000 0.946 21 K CB 0.544 33.063 32.500 0.030 0.000 1.005 21 K HN 0.341 8.633 8.250 0.070 0.000 0.469 22 S N 2.243 117.925 115.700 -0.031 0.000 2.595 22 S HA 0.205 4.663 4.470 -0.019 0.000 0.270 22 S C -0.759 173.813 174.600 -0.046 0.000 1.145 22 S CA -1.182 56.998 58.200 -0.034 0.000 0.825 22 S CB 1.982 65.155 63.200 -0.046 0.000 1.107 22 S HN 0.100 8.383 8.310 -0.044 0.000 0.461 23 D N 0.756 121.134 120.400 -0.036 0.000 2.202 23 D HA 0.067 4.682 4.640 -0.041 0.000 0.214 23 D C 0.127 176.399 176.300 -0.046 0.000 0.967 23 D CA 1.197 55.174 54.000 -0.037 0.000 0.871 23 D CB 0.433 41.220 40.800 -0.022 0.000 1.020 23 D HN 0.282 8.636 8.370 -0.026 0.000 0.474 24 K N 1.536 121.913 120.400 -0.038 0.000 2.355 24 K HA 0.121 4.423 4.320 -0.030 0.000 0.270 24 K C -2.208 174.335 176.600 -0.095 0.000 1.003 24 K CA -1.356 54.907 56.287 -0.039 0.000 0.957 24 K CB 0.177 32.671 32.500 -0.010 0.000 0.939 24 K HN -0.222 8.011 8.250 -0.029 0.000 0.482 25 P HA -0.057 4.184 4.420 -0.298 0.000 0.271 25 P C -1.445 175.597 177.300 -0.430 0.000 1.216 25 P CA -0.069 62.850 63.100 -0.302 0.000 0.776 25 P CB 0.546 32.056 31.700 -0.318 0.000 0.881 26 L N 0.492 121.395 121.223 -0.534 0.000 2.334 26 L HA 0.210 4.367 4.340 -0.304 0.000 0.272 26 L C -1.093 175.351 176.870 -0.710 0.000 1.020 26 L CA -1.034 53.533 54.840 -0.455 0.000 0.812 26 L CB 2.223 44.135 42.059 -0.245 0.000 1.264 26 L HN -0.220 7.710 8.230 -0.500 0.000 0.439 27 Y N -0.480 119.792 120.300 -0.046 0.000 2.499 27 Y HA 0.081 4.610 4.550 -0.036 0.000 0.347 27 Y C 0.481 176.388 175.900 0.011 0.000 0.987 27 Y CA -0.583 57.502 58.100 -0.025 0.000 1.044 27 Y CB 3.121 41.572 38.460 -0.014 0.000 1.245 27 Y HN 0.031 8.310 8.280 -0.001 0.000 0.461 28 G N 3.615 112.535 108.800 0.200 0.000 2.566 28 G HA2 -0.483 3.602 3.960 0.207 0.000 0.280 28 G HA3 -0.483 3.580 3.960 0.171 0.000 0.280 28 G C 0.935 175.983 174.900 0.246 0.000 1.225 28 G CA 0.935 46.153 45.100 0.197 0.000 0.966 28 G HN 0.131 8.543 8.290 0.203 0.000 0.560 29 N N 3.148 121.992 118.700 0.240 0.000 2.364 29 N HA -0.227 4.837 4.740 0.539 0.000 0.183 29 N C 1.745 177.438 175.510 0.305 0.000 1.022 29 N CA 2.198 55.454 53.050 0.343 0.000 0.883 29 N CB -0.473 38.140 38.487 0.209 0.000 0.965 29 N HN 0.424 8.907 8.380 0.172 0.000 0.438 30 D N 0.580 121.080 120.400 0.167 0.000 2.350 30 D HA -0.173 4.541 4.640 0.123 0.000 0.216 30 D C 1.099 177.423 176.300 0.041 0.000 0.968 30 D CA 1.589 55.653 54.000 0.107 0.000 0.894 30 D CB -0.287 40.560 40.800 0.080 0.000 0.909 30 D HN -0.566 7.858 8.370 0.147 0.034 0.520 31 R N -2.628 117.841 120.500 -0.052 0.000 2.236 31 R HA -0.201 4.028 4.340 -0.185 0.000 0.208 31 R C -0.274 175.887 176.300 -0.232 0.000 1.036 31 R CA 2.095 58.044 56.100 -0.252 0.000 1.001 31 R CB 0.445 30.435 30.300 -0.517 0.000 0.896 31 R HN -0.645 7.560 8.270 -0.015 0.057 0.464 32 F N -3.641 116.396 119.950 0.146 0.000 2.507 32 F HA 0.781 5.537 4.527 0.077 -0.183 0.327 32 F C -1.422 174.404 175.800 0.045 0.000 1.068 32 F CA -1.651 56.393 58.000 0.072 0.000 0.965 32 F CB 3.215 42.217 39.000 0.003 0.000 1.192 32 F HN -0.764 7.622 8.300 0.217 0.045 0.476 33 E N -2.937 117.368 120.200 0.175 0.000 2.458 33 E HA 0.353 4.762 4.350 0.097 0.000 0.278 33 E C -2.049 174.404 176.600 -0.243 0.000 1.004 33 E CA -1.894 54.548 56.400 0.070 0.000 0.823 33 E CB 3.654 33.485 29.700 0.219 0.000 1.396 33 E HN 0.360 8.809 8.360 0.149 0.000 0.463 34 G N -2.979 105.396 108.800 -0.709 0.000 2.361 34 G HA2 -0.195 1.977 3.960 -2.980 0.000 0.331 34 G HA3 -0.195 3.303 3.960 -0.994 -0.135 0.331 34 G C -1.418 172.653 174.900 -1.381 0.000 1.324 34 G CA -0.400 43.743 45.100 -1.595 0.000 0.984 34 G HN -0.260 7.743 8.290 -0.478 0.000 0.586 35 Y N 0.823 120.220 120.300 -1.505 0.000 2.165 35 Y HA -0.304 3.920 4.550 -0.543 0.000 0.286 35 Y C 1.233 176.969 175.900 -0.273 0.000 1.155 35 Y CA 3.903 61.630 58.100 -0.622 0.000 1.164 35 Y CB 0.717 39.113 38.460 -0.107 0.000 0.978 35 Y HN -0.215 7.310 8.280 -1.259 0.000 0.513 36 C N -3.568 115.730 119.300 -0.003 0.000 2.446 36 C HA -0.406 3.979 4.460 -0.124 0.000 0.279 36 C C 1.326 176.182 174.990 -0.224 0.000 1.366 36 C CA 4.284 63.250 59.018 -0.087 0.000 1.763 36 C CB -0.361 27.366 27.740 -0.021 0.000 1.929 36 C HN -0.200 7.926 8.230 0.014 0.112 0.509 37 I N 0.814 121.250 120.570 -0.224 0.000 2.286 37 I HA -0.371 3.691 4.170 -0.180 0.000 0.245 37 I C 1.749 177.785 176.117 -0.135 0.000 1.104 37 I CA 2.317 63.517 61.300 -0.166 0.000 1.397 37 I CB -1.016 36.932 38.000 -0.086 0.000 1.072 37 I HN -0.799 7.245 8.210 -0.254 0.013 0.417 38 D N -0.129 120.189 120.400 -0.136 0.000 2.144 38 D HA -0.265 4.367 4.640 -0.015 0.000 0.199 38 D C 2.465 178.652 176.300 -0.189 0.000 0.984 38 D CA 3.379 57.331 54.000 -0.081 0.000 0.834 38 D CB -0.292 40.523 40.800 0.026 0.000 0.955 38 D HN -0.164 8.100 8.370 -0.176 0.000 0.465 39 L N 0.829 121.855 121.223 -0.329 0.000 2.012 39 L HA -0.262 3.889 4.340 -0.313 0.000 0.210 39 L C 1.458 178.174 176.870 -0.256 0.000 1.073 39 L CA 2.951 57.584 54.840 -0.346 0.000 0.748 39 L CB -0.183 41.572 42.059 -0.507 0.000 0.891 39 L HN -0.229 7.762 8.230 -0.398 0.000 0.431 40 L N -1.570 119.488 121.223 -0.275 0.000 2.042 40 L HA -0.403 3.780 4.340 -0.262 0.000 0.210 40 L C 1.761 178.444 176.870 -0.311 0.000 1.076 40 L CA 3.182 57.831 54.840 -0.319 0.000 0.749 40 L CB -0.646 41.141 42.059 -0.453 0.000 0.893 40 L HN -0.279 7.780 8.230 -0.286 0.000 0.432 41 R N -1.497 118.891 120.500 -0.187 0.000 2.083 41 R HA -0.373 3.979 4.340 0.019 0.000 0.237 41 R C 2.686 178.928 176.300 -0.097 0.000 1.137 41 R CA 3.542 59.607 56.100 -0.057 0.000 0.951 41 R CB -0.276 30.037 30.300 0.021 0.000 0.851 41 R HN -0.357 7.817 8.270 -0.160 0.000 0.434 42 E N -0.971 119.165 120.200 -0.107 0.000 2.077 42 E HA -0.268 4.040 4.350 -0.070 0.000 0.193 42 E C 2.531 179.066 176.600 -0.108 0.000 0.989 42 E CA 2.510 58.856 56.400 -0.090 0.000 0.800 42 E CB -0.358 29.296 29.700 -0.078 0.000 0.746 42 E HN -0.440 7.850 8.360 -0.116 0.000 0.452 43 L N -1.633 119.517 121.223 -0.122 0.000 2.042 43 L HA -0.425 3.905 4.340 -0.017 0.000 0.210 43 L C 2.056 178.759 176.870 -0.278 0.000 1.076 43 L CA 3.534 58.330 54.840 -0.073 0.000 0.749 43 L CB -0.607 41.483 42.059 0.051 0.000 0.893 43 L HN 0.188 8.338 8.230 -0.133 0.000 0.432 44 S N -1.149 114.207 115.700 -0.573 0.000 2.382 44 S HA -0.294 2.796 4.470 -2.300 0.000 0.228 44 S C 2.488 176.786 174.600 -0.504 0.000 1.027 44 S CA 3.599 61.140 58.200 -1.099 0.000 0.991 44 S CB -0.886 61.935 63.200 -0.632 0.000 0.823 44 S HN -0.049 8.006 8.310 -0.424 0.000 0.469 45 T N 4.416 118.823 114.554 -0.244 0.000 2.812 45 T HA -0.298 3.984 4.350 -0.113 0.000 0.264 45 T C 1.178 175.828 174.700 -0.083 0.000 1.042 45 T CA 3.830 65.856 62.100 -0.123 0.000 1.140 45 T CB 0.075 68.901 68.868 -0.071 0.000 0.870 45 T HN -0.699 7.414 8.240 -0.211 0.000 0.445 46 I N -0.655 119.874 120.570 -0.068 0.000 2.226 46 I HA -0.354 3.812 4.170 -0.006 0.000 0.245 46 I C 1.229 177.358 176.117 0.020 0.000 1.100 46 I CA 2.888 64.180 61.300 -0.012 0.000 1.374 46 I CB 0.340 38.346 38.000 0.010 0.000 1.057 46 I HN -0.421 7.739 8.210 -0.083 0.000 0.413 47 L N -5.559 115.686 121.223 0.036 0.000 2.554 47 L HA 0.127 4.554 4.340 0.145 0.000 0.225 47 L C 0.537 177.511 176.870 0.174 0.000 1.104 47 L CA -0.062 54.878 54.840 0.167 0.000 0.866 47 L CB 0.751 43.046 42.059 0.393 0.000 1.047 47 L HN -0.355 7.861 8.230 -0.025 0.000 0.468 48 G N -1.070 107.747 108.800 0.028 0.000 2.368 48 G HA2 -0.297 3.691 3.960 -0.018 0.000 0.290 48 G HA3 -0.297 3.708 3.960 0.074 0.000 0.290 48 G C -0.659 174.340 174.900 0.164 0.000 1.098 48 G CA 0.167 45.295 45.100 0.046 0.000 1.073 48 G HN -0.457 7.786 8.290 -0.077 0.000 0.511 49 F N -2.338 117.679 119.950 0.110 0.000 2.593 49 F HA 0.531 5.116 4.527 0.097 0.000 0.320 49 F C -1.788 174.083 175.800 0.119 0.000 1.060 49 F CA -2.870 55.197 58.000 0.110 0.000 0.940 49 F CB 2.444 41.507 39.000 0.104 0.000 1.268 49 F HN -0.765 7.319 8.300 -0.361 0.000 0.475 50 T N -3.597 111.155 114.554 0.330 0.000 2.952 50 T HA 0.428 4.813 4.350 0.059 0.000 0.286 50 T C -1.828 173.078 174.700 0.343 0.000 1.024 50 T CA -1.995 60.206 62.100 0.168 0.000 1.029 50 T CB 2.288 71.159 68.868 0.006 0.000 1.094 50 T HN 0.246 8.676 8.240 0.316 0.000 0.515 51 Y N -4.507 115.883 120.300 0.150 0.000 2.609 51 Y HA 0.772 5.619 4.550 0.076 -0.252 0.336 51 Y C -1.857 174.075 175.900 0.053 0.000 1.129 51 Y CA -1.820 56.347 58.100 0.111 0.000 1.040 51 Y CB 3.235 41.802 38.460 0.178 0.000 1.310 51 Y HN -0.119 7.909 8.280 -0.420 0.000 0.460 52 E N -0.439 119.876 120.200 0.191 0.000 2.241 52 E HA 0.416 4.998 4.350 0.118 -0.161 0.263 52 E C -1.319 175.357 176.600 0.127 0.000 0.882 52 E CA -1.465 55.012 56.400 0.128 0.000 0.769 52 E CB 3.740 33.478 29.700 0.063 0.000 1.185 52 E HN 0.232 8.703 8.360 0.186 0.000 0.415 53 I N 5.312 125.960 120.570 0.129 0.000 2.441 53 I HA 0.035 4.314 4.170 -0.097 -0.168 0.287 53 I C -0.705 175.382 176.117 -0.050 0.000 1.049 53 I CA 0.736 62.001 61.300 -0.059 0.000 1.381 53 I CB 0.290 38.123 38.000 -0.277 0.000 1.409 53 I HN 0.356 9.020 8.210 0.181 -0.345 0.523 54 R N 5.089 125.526 120.500 -0.106 0.000 2.538 54 R HA 0.376 4.749 4.340 0.055 0.000 0.292 54 R C -1.655 174.595 176.300 -0.083 0.000 1.008 54 R CA -1.901 54.183 56.100 -0.027 0.000 0.896 54 R CB 3.181 33.478 30.300 -0.005 0.000 1.187 54 R HN 0.428 8.609 8.270 -0.148 0.000 0.440 55 L N 3.416 124.628 121.223 -0.019 0.000 2.453 55 L HA -0.017 4.415 4.340 -0.127 -0.168 0.272 55 L C 0.474 177.318 176.870 -0.045 0.000 1.182 55 L CA -0.049 54.762 54.840 -0.049 0.000 0.858 55 L CB 0.440 42.521 42.059 0.037 0.000 1.120 55 L HN 0.323 8.600 8.230 0.077 0.000 0.474 56 V N 4.955 124.817 119.914 -0.087 0.000 2.599 56 V HA -0.219 3.865 4.120 -0.060 0.000 0.300 56 V C 1.237 177.312 176.094 -0.032 0.000 1.034 56 V CA 0.712 62.970 62.300 -0.070 0.000 1.115 56 V CB 1.360 33.118 31.823 -0.109 0.000 0.934 56 V HN 0.171 8.286 8.190 -0.125 0.000 0.485 57 E N 8.326 128.520 120.200 -0.011 0.000 2.150 57 E HA -0.285 4.075 4.350 0.018 0.000 0.193 57 E C 0.046 176.653 176.600 0.012 0.000 0.985 57 E CA 2.716 59.122 56.400 0.010 0.000 0.814 57 E CB -0.048 29.661 29.700 0.016 0.000 0.752 57 E HN 0.516 8.869 8.360 -0.012 0.000 0.466 58 D N -4.421 115.984 120.400 0.009 0.000 2.340 58 D HA -0.053 4.602 4.640 0.024 0.000 0.220 58 D C 0.859 177.169 176.300 0.015 0.000 1.039 58 D CA -0.700 53.312 54.000 0.019 0.000 0.866 58 D CB -1.146 39.672 40.800 0.031 0.000 0.913 58 D HN -0.346 8.026 8.370 0.003 0.000 0.523 59 G N -0.499 108.295 108.800 -0.010 0.000 2.160 59 G HA2 -0.425 3.503 3.960 -0.053 0.000 0.251 59 G HA3 -0.425 3.537 3.960 0.003 0.000 0.251 59 G C -0.568 174.317 174.900 -0.025 0.000 1.008 59 G CA 0.752 45.839 45.100 -0.023 0.000 0.724 59 G HN -0.450 7.785 8.290 -0.023 0.041 0.514 60 K N -1.743 118.640 120.400 -0.027 0.000 2.328 60 K HA 0.358 4.729 4.320 0.085 0.000 0.246 60 K C -0.777 175.803 176.600 -0.033 0.000 0.955 60 K CA -2.209 54.098 56.287 0.034 0.000 0.817 60 K CB 2.520 35.081 32.500 0.100 0.000 1.208 60 K HN -0.770 7.670 8.250 -0.031 -0.208 0.432 61 Y N -0.063 120.277 120.300 0.065 0.000 2.153 61 Y HA -0.188 4.381 4.550 0.033 0.000 0.289 61 Y C 0.224 176.187 175.900 0.106 0.000 1.119 61 Y CA 2.714 60.852 58.100 0.063 0.000 1.116 61 Y CB 1.144 39.643 38.460 0.065 0.000 1.004 61 Y HN 0.403 8.920 8.280 0.395 0.000 0.501 62 G N -6.736 102.260 108.800 0.328 0.000 2.220 62 G HA2 -0.129 4.324 3.960 0.303 0.000 0.232 62 G HA3 -0.129 4.068 3.960 0.359 -0.022 0.232 62 G C -3.102 172.056 174.900 0.429 0.000 1.680 62 G CA -0.008 45.302 45.100 0.350 0.000 0.922 62 G HN -0.518 7.979 8.290 0.345 0.000 0.723 63 A N 2.726 125.732 122.820 0.310 0.000 2.593 63 A HA 0.520 4.868 4.320 0.046 0.000 0.290 63 A C -2.599 174.730 177.584 -0.424 0.000 1.126 63 A CA -1.075 50.968 52.037 0.009 0.000 0.695 63 A CB 3.791 22.787 19.000 -0.006 0.000 1.290 63 A HN 0.357 8.955 8.150 0.261 -0.292 0.414 64 Q N 0.076 119.328 119.800 -0.914 0.000 2.257 64 Q HA 0.072 3.951 4.340 -1.041 -0.163 0.255 64 Q C -0.881 174.850 176.000 -0.448 0.000 0.920 64 Q CA -1.217 53.974 55.803 -1.020 0.000 0.927 64 Q CB 2.129 30.024 28.738 -1.405 0.000 1.229 64 Q HN 0.287 8.060 8.270 -0.828 0.000 0.433 65 D N 6.245 126.467 120.400 -0.297 0.000 2.417 65 D HA -0.092 4.480 4.640 -0.114 0.000 0.250 65 D C 0.678 176.898 176.300 -0.133 0.000 1.166 65 D CA 0.485 54.395 54.000 -0.150 0.000 0.881 65 D CB 1.912 42.660 40.800 -0.086 0.000 1.164 65 D HN 0.010 8.203 8.370 -0.296 0.000 0.467 66 D N 4.812 125.162 120.400 -0.083 0.000 2.224 66 D HA -0.199 4.391 4.640 -0.084 0.000 0.205 66 D C 1.106 177.383 176.300 -0.037 0.000 0.965 66 D CA 2.373 56.337 54.000 -0.060 0.000 0.852 66 D CB -0.187 40.599 40.800 -0.022 0.000 0.947 66 D HN 0.188 8.523 8.370 -0.060 0.000 0.494 67 V N -3.253 116.645 119.914 -0.027 0.000 2.685 67 V HA 0.017 4.131 4.120 -0.010 0.000 0.244 67 V C 1.141 177.225 176.094 -0.016 0.000 1.054 67 V CA 1.525 63.816 62.300 -0.014 0.000 1.076 67 V CB 0.934 32.755 31.823 -0.004 0.000 0.725 67 V HN -0.237 8.166 8.190 -0.027 -0.229 0.467 68 N N -1.152 117.534 118.700 -0.024 0.000 2.220 68 N HA 0.011 4.746 4.740 -0.009 0.000 0.195 68 N C 1.056 176.552 175.510 -0.024 0.000 1.123 68 N CA -0.529 52.512 53.050 -0.016 0.000 0.874 68 N CB 0.828 39.311 38.487 -0.006 0.000 0.995 68 N HN -0.488 8.139 8.380 -0.031 -0.266 0.498 69 G N 0.578 109.343 108.800 -0.058 0.000 2.148 69 G HA2 -0.424 3.559 3.960 -0.127 0.000 0.254 69 G HA3 -0.424 3.512 3.960 -0.040 0.000 0.254 69 G C -0.430 174.419 174.900 -0.085 0.000 0.981 69 G CA 0.779 45.831 45.100 -0.080 0.000 0.670 69 G HN -0.246 7.904 8.290 -0.073 0.097 0.528 70 Q N -0.635 119.124 119.800 -0.069 0.000 2.230 70 Q HA 0.133 4.524 4.340 0.085 0.000 0.248 70 Q C -0.525 175.440 176.000 -0.059 0.000 0.915 70 Q CA -0.767 55.042 55.803 0.010 0.000 0.900 70 Q CB 1.955 30.718 28.738 0.042 0.000 1.229 70 Q HN -0.106 8.419 8.270 -0.067 -0.295 0.439 71 W N 0.812 122.122 121.300 0.016 0.000 2.253 71 W HA 0.363 5.228 4.660 0.025 -0.190 0.348 71 W C 0.129 176.659 176.519 0.020 0.000 1.229 71 W CA -0.055 57.302 57.345 0.019 0.000 1.335 71 W CB 1.671 31.138 29.460 0.011 0.000 1.165 71 W HN 0.372 8.801 8.180 0.415 0.000 0.631 72 N N -2.858 116.020 118.700 0.296 0.000 3.091 72 N HA 0.150 4.985 4.740 0.158 0.000 0.329 72 N C 0.100 175.722 175.510 0.187 0.000 1.430 72 N CA -1.796 51.366 53.050 0.187 0.000 0.755 72 N CB 1.822 40.380 38.487 0.118 0.000 1.626 72 N HN -0.247 8.337 8.380 0.340 0.000 0.614 73 G N -2.194 106.672 108.800 0.110 0.000 2.601 73 G HA2 -0.447 3.810 3.960 0.034 0.000 0.252 73 G HA3 -0.447 3.619 3.960 0.099 -0.047 0.252 73 G C 0.382 175.296 174.900 0.023 0.000 1.294 73 G CA 0.567 45.708 45.100 0.068 0.000 0.912 73 G HN -0.052 8.686 8.290 0.088 -0.395 0.574 74 M N 1.871 121.459 119.600 -0.019 0.000 2.213 74 M HA -0.412 4.019 4.480 -0.083 0.000 0.263 74 M C 2.322 178.575 176.300 -0.079 0.000 1.062 74 M CA 3.927 59.186 55.300 -0.069 0.000 1.105 74 M CB 0.192 32.732 32.600 -0.100 0.000 1.385 74 M HN -0.305 7.970 8.290 -0.025 0.000 0.417 75 V N -0.774 119.115 119.914 -0.041 0.000 2.295 75 V HA -0.577 3.400 4.120 -0.238 0.000 0.246 75 V C 1.456 177.455 176.094 -0.159 0.000 1.049 75 V CA 4.158 66.363 62.300 -0.159 0.000 1.024 75 V CB -0.393 31.316 31.823 -0.189 0.000 0.648 75 V HN -0.518 7.678 8.190 0.030 0.012 0.447 76 R N -1.135 119.363 120.500 -0.003 0.000 2.096 76 R HA -0.338 4.014 4.340 0.019 0.000 0.235 76 R C 1.877 178.162 176.300 -0.026 0.000 1.127 76 R CA 2.695 58.813 56.100 0.031 0.000 0.968 76 R CB -0.819 29.556 30.300 0.126 0.000 0.861 76 R HN -0.754 7.561 8.270 0.075 0.000 0.440 77 E N -0.807 119.366 120.200 -0.044 0.000 2.118 77 E HA -0.310 4.018 4.350 -0.037 0.000 0.195 77 E C 2.567 179.101 176.600 -0.110 0.000 0.992 77 E CA 2.771 59.134 56.400 -0.063 0.000 0.804 77 E CB -0.640 29.017 29.700 -0.072 0.000 0.741 77 E HN -0.577 7.761 8.360 -0.037 0.000 0.458 78 L N -0.874 120.248 121.223 -0.169 0.000 2.044 78 L HA -0.201 3.978 4.340 -0.268 0.000 0.205 78 L C 3.185 179.908 176.870 -0.245 0.000 1.075 78 L CA 2.693 57.383 54.840 -0.251 0.000 0.747 78 L CB 0.011 41.888 42.059 -0.304 0.000 0.903 78 L HN -0.599 7.529 8.230 -0.170 0.000 0.435 79 I N -0.485 119.970 120.570 -0.191 0.000 2.194 79 I HA -0.461 3.633 4.170 -0.126 0.000 0.246 79 I C 1.604 177.746 176.117 0.042 0.000 1.093 79 I CA 3.563 64.797 61.300 -0.109 0.000 1.355 79 I CB -0.122 37.803 38.000 -0.125 0.000 1.046 79 I HN -0.126 7.959 8.210 -0.208 0.000 0.413 80 D N -4.172 116.246 120.400 0.030 0.000 2.340 80 D HA 0.063 4.764 4.640 0.101 0.000 0.220 80 D C -0.804 175.592 176.300 0.160 0.000 1.039 80 D CA 0.322 54.373 54.000 0.086 0.000 0.866 80 D CB -0.177 40.649 40.800 0.044 0.000 0.913 80 D HN -0.529 7.818 8.370 -0.015 0.014 0.523 81 H N -4.747 114.287 119.070 -0.060 0.000 2.820 81 H HA -0.332 4.182 4.556 -0.070 0.000 0.295 81 H C 0.137 175.435 175.328 -0.050 0.000 1.187 81 H CA 1.541 57.555 56.048 -0.058 0.000 1.144 81 H CB -2.740 26.995 29.762 -0.045 0.000 1.354 81 H HN -0.191 7.897 8.280 -0.009 0.186 0.395 82 K N -4.080 116.326 120.400 0.009 0.000 2.400 82 K HA -0.016 4.310 4.320 0.009 0.000 0.194 82 K C -1.516 175.056 176.600 -0.047 0.000 1.033 82 K CA 0.795 57.076 56.287 -0.009 0.000 1.021 82 K CB 0.933 33.427 32.500 -0.009 0.000 0.808 82 K HN -0.325 7.890 8.250 -0.012 0.028 0.505 83 A N -3.838 118.926 122.820 -0.094 0.000 2.498 83 A HA 0.186 4.443 4.320 -0.105 0.000 0.298 83 A C -2.391 175.087 177.584 -0.177 0.000 1.075 83 A CA -0.935 51.027 52.037 -0.125 0.000 0.714 83 A CB 2.627 21.545 19.000 -0.138 0.000 1.299 83 A HN -0.868 7.213 8.150 -0.114 0.000 0.407 84 D N -0.058 120.226 120.400 -0.192 0.000 2.240 84 D HA 0.065 4.570 4.640 -0.225 0.000 0.206 84 D C -0.387 175.740 176.300 -0.288 0.000 0.963 84 D CA 3.038 56.891 54.000 -0.246 0.000 0.863 84 D CB 2.088 42.709 40.800 -0.298 0.000 0.973 84 D HN -0.070 8.193 8.370 -0.180 0.000 0.501 85 L N -3.619 117.437 121.223 -0.278 0.000 2.434 85 L HA 0.687 5.069 4.340 -0.246 -0.190 0.260 85 L C -2.697 174.047 176.870 -0.210 0.000 0.983 85 L CA -1.493 53.191 54.840 -0.259 0.000 0.820 85 L CB 5.148 47.024 42.059 -0.304 0.000 1.361 85 L HN -0.686 7.392 8.230 -0.254 0.000 0.410 86 A N 1.284 123.995 122.820 -0.182 0.000 2.267 86 A HA 0.779 5.201 4.320 -0.162 -0.199 0.315 86 A C -1.455 176.070 177.584 -0.099 0.000 1.297 86 A CA -1.759 50.189 52.037 -0.148 0.000 0.865 86 A CB 1.748 20.664 19.000 -0.140 0.000 1.165 86 A HN 0.629 8.567 8.150 -0.180 0.104 0.513 87 V N 4.210 124.048 119.914 -0.126 0.000 2.304 87 V HA 0.216 4.317 4.120 -0.033 0.000 0.278 87 V C -1.938 174.091 176.094 -0.108 0.000 1.018 87 V CA -0.694 61.543 62.300 -0.105 0.000 0.814 87 V CB 0.478 32.193 31.823 -0.180 0.000 1.021 87 V HN -0.232 7.861 8.190 -0.162 0.000 0.440 88 A N 6.104 128.910 122.820 -0.023 0.000 2.544 88 A HA 0.357 4.617 4.320 -0.100 0.000 0.291 88 A C -2.879 174.652 177.584 -0.089 0.000 1.055 88 A CA -1.238 50.755 52.037 -0.073 0.000 0.651 88 A CB 1.709 20.641 19.000 -0.113 0.000 1.296 88 A HN 0.246 8.440 8.150 0.074 0.000 0.431 89 P HA 0.001 3.581 4.420 -1.400 0.000 0.237 89 P C -2.297 174.550 177.300 -0.754 0.000 1.788 89 P CA -0.135 62.250 63.100 -1.191 0.000 1.061 89 P CB -1.900 28.719 31.700 -1.801 0.000 1.967 90 L N 3.531 124.599 121.223 -0.258 0.000 2.262 90 L HA 0.124 4.559 4.340 0.158 0.000 0.288 90 L C -1.950 175.021 176.870 0.168 0.000 1.035 90 L CA -1.572 53.328 54.840 0.099 0.000 0.820 90 L CB 1.752 43.948 42.059 0.229 0.000 1.204 90 L HN -0.423 7.673 8.230 -0.167 0.035 0.424 91 A N 6.967 129.879 122.820 0.153 0.000 2.477 91 A HA 0.169 4.718 4.320 0.105 -0.166 0.246 91 A C -0.080 177.373 177.584 -0.218 0.000 1.078 91 A CA -0.701 51.365 52.037 0.049 0.000 0.770 91 A CB 0.495 19.501 19.000 0.010 0.000 1.011 91 A HN 0.399 8.617 8.150 0.113 0.000 0.494 92 I N 4.426 124.681 120.570 -0.524 0.000 2.379 92 I HA -0.034 2.995 4.170 -1.902 0.000 0.290 92 I C -0.646 175.204 176.117 -0.445 0.000 1.063 92 I CA 0.755 61.449 61.300 -1.010 0.000 1.351 92 I CB -0.556 36.939 38.000 -0.843 0.000 1.410 92 I HN -0.038 7.928 8.210 -0.406 0.000 0.505 93 T N 4.739 119.124 114.554 -0.283 0.000 2.906 93 T HA 0.355 4.679 4.350 -0.043 0.000 0.295 93 T C 0.372 175.113 174.700 0.068 0.000 1.075 93 T CA -2.896 59.183 62.100 -0.036 0.000 1.005 93 T CB 2.794 71.701 68.868 0.065 0.000 1.136 93 T HN -0.323 7.730 8.240 -0.311 0.000 0.498 94 Y N 3.763 124.065 120.300 0.004 0.000 2.081 94 Y HA -0.446 4.117 4.550 0.022 0.000 0.280 94 Y C 0.896 176.848 175.900 0.087 0.000 1.163 94 Y CA 3.565 61.684 58.100 0.033 0.000 1.135 94 Y CB -0.661 37.811 38.460 0.021 0.000 0.970 94 Y HN 0.377 8.807 8.280 0.249 0.000 0.498 95 V N -5.896 114.102 119.914 0.140 0.000 2.427 95 V HA -0.373 3.695 4.120 -0.087 0.000 0.248 95 V C 0.914 177.111 176.094 0.171 0.000 1.051 95 V CA 2.610 64.985 62.300 0.124 0.000 1.048 95 V CB -0.496 31.513 31.823 0.309 0.000 0.666 95 V HN -0.429 7.931 8.190 0.284 0.000 0.456 96 R N -1.408 119.199 120.500 0.178 0.000 2.090 96 R HA -0.206 4.013 4.340 -0.203 0.000 0.228 96 R C 2.131 178.468 176.300 0.061 0.000 1.110 96 R CA 3.101 59.235 56.100 0.056 0.000 0.973 96 R CB 0.139 30.597 30.300 0.262 0.000 0.869 96 R HN -0.840 7.553 8.270 0.206 0.000 0.440 97 E N -0.824 119.458 120.200 0.137 0.000 2.268 97 E HA -0.139 4.496 4.350 0.239 -0.141 0.195 97 E C 1.247 177.829 176.600 -0.029 0.000 0.995 97 E CA 1.563 58.040 56.400 0.128 0.000 0.836 97 E CB -0.353 29.407 29.700 0.100 0.000 0.763 97 E HN -0.417 8.008 8.360 0.108 0.000 0.491 98 K N -2.933 117.401 120.400 -0.109 0.000 2.365 98 K HA -0.193 4.063 4.320 -0.108 0.000 0.199 98 K C 1.208 177.747 176.600 -0.100 0.000 1.045 98 K CA 2.238 58.453 56.287 -0.120 0.000 0.962 98 K CB 0.329 32.729 32.500 -0.166 0.000 0.759 98 K HN -0.701 7.449 8.250 -0.135 0.019 0.469 99 V N -8.236 111.581 119.914 -0.162 0.000 3.473 99 V HA 0.198 4.224 4.120 -0.156 0.000 0.253 99 V C -1.093 174.829 176.094 -0.287 0.000 1.340 99 V CA -0.021 62.136 62.300 -0.238 0.000 1.103 99 V CB 2.602 34.176 31.823 -0.416 0.000 0.881 99 V HN -0.472 7.450 8.190 -0.180 0.160 0.451 100 I N -5.372 115.011 120.570 -0.312 0.000 3.239 100 I HA 0.324 4.312 4.170 -0.302 0.000 0.314 100 I C -2.422 173.519 176.117 -0.294 0.000 1.126 100 I CA -2.211 58.876 61.300 -0.355 0.000 0.973 100 I CB 3.049 40.732 38.000 -0.528 0.000 1.252 100 I HN -0.395 7.643 8.210 -0.287 0.000 0.463 101 D N -0.640 119.572 120.400 -0.315 0.000 2.228 101 D HA 0.661 5.430 4.640 -0.066 -0.168 0.247 101 D C -0.904 175.208 176.300 -0.314 0.000 0.995 101 D CA -1.694 52.198 54.000 -0.180 0.000 0.903 101 D CB 3.812 44.557 40.800 -0.093 0.000 1.205 101 D HN -0.141 8.028 8.370 -0.335 0.000 0.459 102 F N -1.258 118.670 119.950 -0.036 0.000 2.565 102 F HA 0.571 5.289 4.527 -0.010 -0.197 0.313 102 F C 0.353 176.161 175.800 0.012 0.000 1.091 102 F CA -1.491 56.502 58.000 -0.012 0.000 0.915 102 F CB 4.594 43.586 39.000 -0.014 0.000 1.208 102 F HN -0.349 8.092 8.300 0.234 0.000 0.453 103 S N 2.572 118.421 115.700 0.249 0.000 2.580 103 S HA 0.032 4.589 4.470 0.145 0.000 0.266 103 S C 0.617 175.316 174.600 0.165 0.000 1.354 103 S CA -0.294 58.017 58.200 0.186 0.000 1.008 103 S CB 0.903 64.221 63.200 0.197 0.000 0.898 103 S HN 0.429 8.884 8.310 0.241 0.000 0.555 104 K N 0.629 121.097 120.400 0.113 0.000 2.286 104 K HA -0.023 4.319 4.320 0.037 0.000 0.256 104 K C -1.320 175.326 176.600 0.077 0.000 0.999 104 K CA -0.268 56.060 56.287 0.068 0.000 0.908 104 K CB -0.973 31.560 32.500 0.055 0.000 0.981 104 K HN -0.183 8.131 8.250 0.107 0.000 0.500 105 P HA 0.134 4.682 4.420 -0.131 -0.206 0.275 105 P C -0.821 176.502 177.300 0.038 0.000 1.227 105 P CA -0.495 62.560 63.100 -0.075 0.000 0.781 105 P CB 0.484 32.088 31.700 -0.159 0.000 0.906 106 F N -2.131 117.888 119.950 0.115 0.000 2.754 106 F HA 0.283 4.884 4.527 0.124 0.000 0.297 106 F C -0.804 175.082 175.800 0.144 0.000 1.122 106 F CA -1.003 57.087 58.000 0.151 0.000 1.400 106 F CB 0.999 40.130 39.000 0.218 0.000 1.117 106 F HN -0.042 8.030 8.300 -0.380 0.000 0.587 107 M N -1.729 117.795 119.600 -0.127 0.000 2.413 107 M HA 0.335 4.796 4.480 -0.031 0.000 0.287 107 M C -2.607 173.511 176.300 -0.304 0.000 1.186 107 M CA -0.172 55.051 55.300 -0.128 0.000 0.927 107 M CB 4.103 36.667 32.600 -0.059 0.000 1.715 107 M HN -0.810 7.259 8.290 -0.367 0.000 0.478 108 T N 1.994 116.393 114.554 -0.259 0.000 2.888 108 T HA 0.793 5.083 4.350 -0.334 -0.140 0.284 108 T C -1.009 173.499 174.700 -0.320 0.000 1.017 108 T CA -1.747 60.181 62.100 -0.286 0.000 1.022 108 T CB 1.670 70.428 68.868 -0.183 0.000 1.013 108 T HN -0.059 8.062 8.240 -0.198 0.000 0.465 109 L N -3.727 117.288 121.223 -0.346 0.000 3.064 109 L HA 0.705 4.900 4.340 -0.242 0.000 0.282 109 L C -2.510 174.194 176.870 -0.276 0.000 1.045 109 L CA -0.585 54.066 54.840 -0.316 0.000 0.986 109 L CB 2.081 43.873 42.059 -0.445 0.000 1.571 109 L HN 0.403 8.429 8.230 -0.340 0.000 0.377 110 G N -4.166 104.491 108.800 -0.237 0.000 2.660 110 G HA2 0.630 4.493 3.960 -0.288 0.000 0.290 110 G HA3 0.630 4.605 3.960 -0.234 -0.155 0.290 110 G C -2.316 172.445 174.900 -0.230 0.000 1.432 110 G CA -0.346 44.603 45.100 -0.250 0.000 0.807 110 G HN -0.384 7.784 8.290 -0.203 0.000 0.485 111 I N -0.337 120.053 120.570 -0.299 0.000 2.648 111 I HA -0.007 4.176 4.170 -0.200 -0.133 0.284 111 I C -1.228 174.776 176.117 -0.190 0.000 1.153 111 I CA 1.872 63.016 61.300 -0.261 0.000 1.426 111 I CB 0.029 37.791 38.000 -0.395 0.000 1.381 111 I HN 0.203 8.528 8.210 -0.384 -0.346 0.571 112 S N 4.204 119.835 115.700 -0.115 0.000 2.880 112 S HA 0.555 4.978 4.470 -0.079 0.000 0.308 112 S C -1.933 172.639 174.600 -0.048 0.000 1.195 112 S CA -2.540 55.618 58.200 -0.070 0.000 0.866 112 S CB 2.979 66.155 63.200 -0.040 0.000 1.254 112 S HN 0.515 8.764 8.310 -0.102 0.000 0.571 113 I N 0.027 120.588 120.570 -0.016 0.000 2.465 113 I HA 0.333 4.644 4.170 -0.026 -0.157 0.291 113 I C -1.842 174.319 176.117 0.074 0.000 1.014 113 I CA -0.822 60.475 61.300 -0.003 0.000 1.093 113 I CB 3.063 41.041 38.000 -0.037 0.000 1.267 113 I HN 0.076 8.283 8.210 -0.005 0.000 0.431 114 L N 7.992 129.299 121.223 0.139 0.000 2.282 114 L HA 0.735 5.355 4.340 0.187 -0.168 0.288 114 L C -2.444 174.610 176.870 0.306 0.000 1.033 114 L CA -1.440 53.532 54.840 0.220 0.000 0.807 114 L CB 2.534 44.767 42.059 0.290 0.000 1.209 114 L HN 0.462 8.774 8.230 0.137 0.000 0.423 115 Y N 6.790 127.146 120.300 0.093 0.000 2.744 115 Y HA 0.400 5.014 4.550 0.106 0.000 0.330 115 Y C -2.134 173.809 175.900 0.071 0.000 1.263 115 Y CA -2.105 56.045 58.100 0.083 0.000 1.065 115 Y CB 3.882 42.371 38.460 0.047 0.000 1.306 115 Y HN 0.464 8.900 8.280 0.261 0.000 0.459 116 R N 0.280 120.478 120.500 -0.503 0.000 2.679 116 R HA 0.220 4.586 4.340 -0.199 -0.145 0.269 116 R C -0.284 175.852 176.300 -0.274 0.000 1.076 116 R CA -0.283 55.577 56.100 -0.400 0.000 1.160 116 R CB 0.898 30.888 30.300 -0.517 0.000 1.054 116 R HN 0.323 7.928 8.270 -1.108 0.000 0.507 117 K N 2.407 122.725 120.400 -0.137 0.000 2.138 117 K HA -0.089 4.211 4.320 -0.034 0.000 0.251 117 K C 0.986 177.541 176.600 -0.075 0.000 1.015 117 K CA 1.069 57.315 56.287 -0.068 0.000 0.917 117 K CB 0.190 32.669 32.500 -0.035 0.000 1.021 117 K HN -0.481 7.700 8.250 -0.115 0.000 0.485 118 G N -0.826 107.958 108.800 -0.026 0.000 2.176 118 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.232 118 G HA3 -0.308 3.637 3.960 -0.026 0.000 0.232 118 G C -0.554 174.350 174.900 0.007 0.000 0.986 118 G CA -0.300 44.792 45.100 -0.014 0.000 0.643 118 G HN 0.491 8.777 8.290 -0.006 0.000 0.522 119 T N -1.359 113.215 114.554 0.032 0.000 2.952 119 T HA 0.466 4.854 4.350 0.062 0.000 0.286 119 T C -1.350 173.401 174.700 0.085 0.000 1.024 119 T CA -3.744 58.405 62.100 0.081 0.000 1.029 119 T CB 2.148 71.127 68.868 0.186 0.000 1.094 119 T HN -0.607 7.654 8.240 0.034 0.000 0.515 120 P HA 0.173 4.618 4.420 0.043 0.000 0.249 120 P C -0.959 176.371 177.300 0.049 0.000 1.229 120 P CA -0.246 62.885 63.100 0.052 0.000 0.788 120 P CB 0.212 31.934 31.700 0.037 0.000 1.072 121 I N 0.528 121.146 120.570 0.079 0.000 2.533 121 I HA -0.321 3.846 4.170 -0.005 0.000 0.284 121 I C -0.808 175.328 176.117 0.032 0.000 1.109 121 I CA -0.566 60.752 61.300 0.031 0.000 1.412 121 I CB -1.120 36.880 38.000 -0.001 0.000 1.396 121 I HN -0.649 7.577 8.210 0.128 0.061 0.543 122 D N 5.187 125.587 120.400 -0.000 0.000 2.520 122 D HA 0.083 4.736 4.640 0.021 0.000 0.223 122 D C -1.678 174.618 176.300 -0.008 0.000 1.186 122 D CA -0.249 53.755 54.000 0.006 0.000 0.821 122 D CB 2.799 43.603 40.800 0.007 0.000 1.072 122 D HN 0.327 9.005 8.370 -0.017 -0.318 0.518 123 S N -5.832 109.849 115.700 -0.031 0.000 2.611 123 S HA 0.244 4.706 4.470 -0.014 0.000 0.268 123 S C -0.438 174.126 174.600 -0.059 0.000 1.156 123 S CA -1.646 56.538 58.200 -0.027 0.000 0.817 123 S CB 2.953 66.144 63.200 -0.014 0.000 1.122 123 S HN -1.052 7.230 8.310 -0.048 0.000 0.466 124 A N 1.449 124.259 122.820 -0.017 0.000 1.940 124 A HA -0.376 3.870 4.320 -0.123 0.000 0.219 124 A C 1.149 178.692 177.584 -0.069 0.000 1.176 124 A CA 3.103 55.126 52.037 -0.025 0.000 0.631 124 A CB -0.319 18.798 19.000 0.196 0.000 0.814 124 A HN 0.656 8.822 8.150 0.026 0.000 0.446 125 D N -2.626 117.752 120.400 -0.036 0.000 2.123 125 D HA -0.333 4.267 4.640 -0.067 0.000 0.196 125 D C 1.655 177.902 176.300 -0.089 0.000 0.992 125 D CA 3.004 56.966 54.000 -0.063 0.000 0.833 125 D CB -0.152 40.617 40.800 -0.052 0.000 0.954 125 D HN -0.115 8.249 8.370 -0.010 0.000 0.455 126 D N -0.685 119.660 120.400 -0.091 0.000 2.144 126 D HA -0.211 4.383 4.640 -0.077 0.000 0.199 126 D C 1.931 178.136 176.300 -0.157 0.000 0.984 126 D CA 2.761 56.701 54.000 -0.100 0.000 0.834 126 D CB -0.336 40.415 40.800 -0.082 0.000 0.955 126 D HN -0.568 7.754 8.370 -0.079 0.000 0.465 127 L N -1.009 120.062 121.223 -0.253 0.000 2.056 127 L HA -0.271 3.876 4.340 -0.323 0.000 0.207 127 L C 2.002 178.655 176.870 -0.361 0.000 1.078 127 L CA 2.715 57.316 54.840 -0.399 0.000 0.749 127 L CB -0.365 41.257 42.059 -0.729 0.000 0.901 127 L HN -0.853 7.143 8.230 -0.253 0.082 0.433 128 A N -1.745 120.898 122.820 -0.296 0.000 1.972 128 A HA -0.188 4.037 4.320 -0.160 0.000 0.219 128 A C 0.644 178.189 177.584 -0.065 0.000 1.169 128 A CA 2.343 54.288 52.037 -0.154 0.000 0.635 128 A CB 0.020 18.977 19.000 -0.071 0.000 0.810 128 A HN -0.134 7.860 8.150 -0.261 0.000 0.446 129 K N -3.567 116.791 120.400 -0.071 0.000 2.458 129 K HA -0.094 4.215 4.320 -0.018 0.000 0.194 129 K C -0.089 176.495 176.600 -0.028 0.000 1.024 129 K CA 0.278 56.543 56.287 -0.036 0.000 1.108 129 K CB -0.297 32.182 32.500 -0.035 0.000 0.846 129 K HN -0.569 7.607 8.250 -0.092 0.019 0.518 130 Q N -1.043 118.731 119.800 -0.044 0.000 2.615 130 Q HA 0.220 4.557 4.340 -0.005 0.000 0.298 130 Q C -1.526 174.449 176.000 -0.041 0.000 1.023 130 Q CA -0.776 55.011 55.803 -0.027 0.000 0.768 130 Q CB 1.545 30.264 28.738 -0.031 0.000 1.500 130 Q HN -0.567 7.598 8.270 -0.068 0.064 0.441 131 T N -8.674 105.881 114.554 0.003 0.000 3.087 131 T HA 0.237 4.528 4.350 -0.098 0.000 0.283 131 T C 0.576 175.327 174.700 0.085 0.000 0.956 131 T CA -0.705 61.420 62.100 0.041 0.000 0.894 131 T CB 1.381 70.369 68.868 0.201 0.000 1.160 131 T HN -0.087 8.167 8.240 0.023 0.000 0.532 132 K N 2.757 123.191 120.400 0.057 0.000 2.057 132 K HA -0.165 4.207 4.320 0.086 0.000 0.206 132 K C 0.244 176.898 176.600 0.091 0.000 1.050 132 K CA 2.066 58.398 56.287 0.075 0.000 0.935 132 K CB 0.240 32.776 32.500 0.060 0.000 0.715 132 K HN -0.460 7.886 8.250 0.038 -0.074 0.439 133 I N 0.637 121.243 120.570 0.059 0.000 2.301 133 I HA -0.107 4.266 4.170 0.126 -0.127 0.292 133 I C -0.647 175.503 176.117 0.054 0.000 1.046 133 I CA -0.057 61.282 61.300 0.065 0.000 1.282 133 I CB -0.224 37.756 38.000 -0.033 0.000 1.409 133 I HN -0.305 8.298 8.210 0.028 -0.376 0.484 134 E N 7.291 127.575 120.200 0.139 0.000 2.345 134 E HA 0.041 4.405 4.350 0.023 0.000 0.259 134 E C -1.569 175.020 176.600 -0.018 0.000 1.117 134 E CA -0.665 55.820 56.400 0.142 0.000 0.913 134 E CB 2.130 32.045 29.700 0.358 0.000 1.057 134 E HN -0.149 8.329 8.360 0.198 0.000 0.432 135 Y N -5.665 114.582 120.300 -0.088 0.000 2.609 135 Y HA 1.030 5.238 4.550 -0.908 -0.202 0.336 135 Y C -1.580 174.259 175.900 -0.101 0.000 1.129 135 Y CA -2.116 55.737 58.100 -0.411 0.000 1.040 135 Y CB 3.487 41.706 38.460 -0.402 0.000 1.310 135 Y HN -0.012 8.111 8.280 -0.261 0.000 0.460 136 G N -2.869 105.939 108.800 0.014 0.000 2.570 136 G HA2 0.497 4.564 3.960 0.178 0.000 0.310 136 G HA3 0.497 4.939 3.960 0.399 -0.242 0.310 136 G C -3.380 171.673 174.900 0.256 0.000 1.266 136 G CA 0.023 45.269 45.100 0.245 0.000 0.825 136 G HN -0.353 7.861 8.290 -0.127 0.000 0.483 137 A N -3.339 119.692 122.820 0.350 0.000 2.586 137 A HA 0.662 4.857 4.320 -0.207 0.000 0.290 137 A C -2.083 175.717 177.584 0.361 0.000 1.086 137 A CA -0.895 51.229 52.037 0.145 0.000 0.665 137 A CB 3.122 22.163 19.000 0.067 0.000 1.279 137 A HN -0.488 7.916 8.150 0.423 0.000 0.423 138 V N 0.140 120.218 119.914 0.274 0.000 2.521 138 V HA -0.103 4.406 4.120 0.362 -0.172 0.286 138 V C 0.022 176.255 176.094 0.232 0.000 1.034 138 V CA 0.406 62.885 62.300 0.298 0.000 1.045 138 V CB 0.265 32.235 31.823 0.245 0.000 0.974 138 V HN 0.559 8.826 8.190 0.129 0.000 0.480 139 E N 8.932 129.269 120.200 0.228 0.000 2.452 139 E HA -0.450 4.028 4.350 0.214 0.000 0.261 139 E C -0.237 176.476 176.600 0.188 0.000 0.987 139 E CA 1.757 58.277 56.400 0.201 0.000 0.926 139 E CB 0.509 30.311 29.700 0.169 0.000 0.934 139 E HN -0.002 8.496 8.360 0.230 0.000 0.452 140 D N 1.303 121.805 120.400 0.169 0.000 2.945 140 D HA -0.307 4.408 4.640 0.126 0.000 0.225 140 D C -0.974 175.440 176.300 0.189 0.000 1.158 140 D CA 1.933 56.026 54.000 0.156 0.000 0.805 140 D CB -1.078 39.809 40.800 0.145 0.000 1.098 140 D HN -0.096 8.376 8.370 0.170 0.000 0.426 141 G N -4.174 104.721 108.800 0.157 0.000 2.887 141 G HA2 0.352 4.404 3.960 0.153 0.000 0.277 141 G HA3 0.352 4.327 3.960 0.025 0.000 0.277 141 G C -1.192 173.755 174.900 0.079 0.000 1.346 141 G CA -1.436 43.725 45.100 0.103 0.000 1.058 141 G HN -0.953 7.387 8.290 0.149 0.040 0.535 142 A N -1.498 121.338 122.820 0.026 0.000 1.929 142 A HA -0.239 4.133 4.320 0.085 0.000 0.216 142 A C 2.190 179.809 177.584 0.058 0.000 1.176 142 A CA 3.265 55.330 52.037 0.046 0.000 0.628 142 A CB -0.550 18.455 19.000 0.007 0.000 0.816 142 A HN 0.582 8.706 8.150 -0.044 0.000 0.444 143 T N 2.084 116.662 114.554 0.040 0.000 2.708 143 T HA -0.431 3.969 4.350 0.083 0.000 0.266 143 T C 1.579 176.460 174.700 0.302 0.000 1.037 143 T CA 5.046 67.218 62.100 0.121 0.000 1.146 143 T CB -0.281 68.617 68.868 0.049 0.000 0.865 143 T HN -0.166 8.072 8.240 -0.004 0.000 0.435 144 M N 1.979 121.713 119.600 0.223 0.000 2.117 144 M HA -0.316 4.389 4.480 0.375 0.000 0.262 144 M C 1.387 177.713 176.300 0.044 0.000 1.065 144 M CA 3.396 58.841 55.300 0.241 0.000 1.114 144 M CB -0.629 32.103 32.600 0.221 0.000 1.361 144 M HN 0.042 8.428 8.290 0.160 0.000 0.408 145 T N 2.012 116.573 114.554 0.012 0.000 2.867 145 T HA -0.415 3.806 4.350 -0.216 0.000 0.268 145 T C 1.647 176.277 174.700 -0.116 0.000 1.057 145 T CA 4.459 66.502 62.100 -0.094 0.000 1.136 145 T CB -0.363 68.502 68.868 -0.004 0.000 0.874 145 T HN -0.486 7.791 8.240 0.062 0.000 0.466 146 F N 3.286 123.141 119.950 -0.160 0.000 2.095 146 F HA -0.483 3.901 4.527 -0.239 0.000 0.298 146 F C 0.896 176.475 175.800 -0.368 0.000 1.104 146 F CA 3.946 61.780 58.000 -0.277 0.000 1.232 146 F CB 0.060 38.835 39.000 -0.375 0.000 0.987 146 F HN -0.360 8.044 8.300 0.173 0.000 0.475 147 F N -3.013 116.849 119.950 -0.148 0.000 2.146 147 F HA -0.442 3.969 4.527 -0.195 0.000 0.298 147 F C 2.671 178.179 175.800 -0.488 0.000 1.096 147 F CA 3.785 61.690 58.000 -0.159 0.000 1.275 147 F CB -0.206 38.940 39.000 0.243 0.000 1.008 147 F HN -0.596 7.837 8.300 0.221 0.000 0.480 148 K N -1.106 118.784 120.400 -0.850 0.000 2.103 148 K HA -0.342 2.389 4.320 -2.648 0.000 0.207 148 K C 1.348 177.531 176.600 -0.695 0.000 1.048 148 K CA 2.670 58.055 56.287 -1.503 0.000 0.930 148 K CB -0.134 31.537 32.500 -1.382 0.000 0.716 148 K HN -0.206 7.619 8.250 -0.708 0.000 0.444 149 K N -4.637 115.474 120.400 -0.481 0.000 2.379 149 K HA 0.038 4.199 4.320 -0.265 0.000 0.194 149 K C 0.259 176.666 176.600 -0.321 0.000 1.031 149 K CA -0.441 55.651 56.287 -0.327 0.000 1.037 149 K CB 0.160 32.510 32.500 -0.250 0.000 0.824 149 K HN -0.508 7.439 8.250 -0.486 0.012 0.516 150 S N 1.260 116.706 115.700 -0.422 0.000 2.562 150 S HA -0.017 4.193 4.470 -0.434 0.000 0.281 150 S C 0.078 174.573 174.600 -0.175 0.000 1.333 150 S CA 0.636 58.598 58.200 -0.397 0.000 1.052 150 S CB 0.690 63.566 63.200 -0.541 0.000 0.884 150 S HN -0.709 7.209 8.310 -0.475 0.107 0.506 151 K N 4.099 124.413 120.400 -0.143 0.000 2.374 151 K HA 0.044 4.331 4.320 -0.055 0.000 0.196 151 K C -0.174 176.389 176.600 -0.062 0.000 1.023 151 K CA -0.646 55.594 56.287 -0.078 0.000 1.103 151 K CB 0.408 32.862 32.500 -0.076 0.000 0.848 151 K HN 0.158 8.307 8.250 -0.168 0.000 0.528 152 I N 2.040 122.567 120.570 -0.070 0.000 2.533 152 I HA -0.135 3.976 4.170 -0.098 0.000 0.284 152 I C 1.264 177.310 176.117 -0.119 0.000 1.109 152 I CA 0.525 61.764 61.300 -0.102 0.000 1.412 152 I CB 0.712 38.648 38.000 -0.107 0.000 1.396 152 I HN -0.763 7.353 8.210 -0.077 0.048 0.543 153 S N 9.273 124.901 115.700 -0.120 0.000 2.365 153 S HA -0.359 4.093 4.470 -0.031 0.000 0.225 153 S C 1.901 176.453 174.600 -0.080 0.000 1.039 153 S CA 3.864 62.020 58.200 -0.075 0.000 1.033 153 S CB -1.210 61.949 63.200 -0.069 0.000 0.887 153 S HN 0.529 8.765 8.310 -0.122 0.000 0.447 154 T N 3.961 118.388 114.554 -0.213 0.000 2.720 154 T HA -0.292 4.007 4.350 -0.086 0.000 0.268 154 T C 1.564 176.279 174.700 0.026 0.000 1.037 154 T CA 4.618 66.604 62.100 -0.189 0.000 1.144 154 T CB -0.222 68.415 68.868 -0.384 0.000 0.864 154 T HN -0.024 8.034 8.240 -0.302 0.000 0.444 155 Y N -0.693 119.695 120.300 0.147 0.000 2.337 155 Y HA -0.107 4.733 4.550 0.483 0.000 0.293 155 Y C 1.913 178.005 175.900 0.320 0.000 1.123 155 Y CA -0.013 58.256 58.100 0.283 0.000 1.201 155 Y CB -1.150 37.326 38.460 0.027 0.000 1.011 155 Y HN -0.688 7.401 8.280 -0.303 0.009 0.545 156 D N 0.146 120.719 120.400 0.287 0.000 2.117 156 D HA -0.315 4.524 4.640 0.330 0.000 0.197 156 D C 1.900 178.378 176.300 0.297 0.000 0.987 156 D CA 3.264 57.426 54.000 0.270 0.000 0.829 156 D CB -0.044 40.838 40.800 0.137 0.000 0.961 156 D HN -0.028 8.446 8.370 0.173 0.000 0.460 157 K N -0.890 119.644 120.400 0.224 0.000 2.057 157 K HA -0.285 4.137 4.320 0.171 0.000 0.206 157 K C 2.438 179.206 176.600 0.280 0.000 1.050 157 K CA 3.157 59.562 56.287 0.197 0.000 0.935 157 K CB -0.054 32.521 32.500 0.125 0.000 0.715 157 K HN -0.519 7.838 8.250 0.180 0.000 0.439 158 M N -0.671 119.142 119.600 0.355 0.000 2.117 158 M HA -0.337 4.443 4.480 0.500 0.000 0.262 158 M C 2.052 178.623 176.300 0.452 0.000 1.065 158 M CA 3.696 59.258 55.300 0.438 0.000 1.114 158 M CB 0.238 33.035 32.600 0.329 0.000 1.361 158 M HN -0.455 8.050 8.290 0.359 0.000 0.408 159 W N -0.186 121.302 121.300 0.312 0.000 2.358 159 W HA -0.490 4.296 4.660 0.210 0.000 0.303 159 W C 1.040 177.661 176.519 0.170 0.000 1.208 159 W CA 3.062 60.549 57.345 0.237 0.000 1.274 159 W CB 0.468 30.071 29.460 0.237 0.000 1.138 159 W HN -0.042 8.552 8.180 0.690 0.000 0.515 160 A N -1.515 121.302 122.820 -0.004 0.000 1.908 160 A HA -0.400 3.750 4.320 -0.283 0.000 0.218 160 A C 1.740 179.223 177.584 -0.169 0.000 1.181 160 A CA 3.075 55.030 52.037 -0.137 0.000 0.627 160 A CB -1.264 17.758 19.000 0.036 0.000 0.818 160 A HN -0.264 8.008 8.150 0.203 0.000 0.445 161 F N 0.286 120.136 119.950 -0.167 0.000 2.102 161 F HA -0.297 4.111 4.527 -0.199 0.000 0.298 161 F C 1.965 177.555 175.800 -0.350 0.000 1.105 161 F CA 3.534 61.399 58.000 -0.226 0.000 1.239 161 F CB 0.461 39.350 39.000 -0.185 0.000 0.991 161 F HN -0.715 7.725 8.300 0.232 0.000 0.474 162 M N -0.684 118.808 119.600 -0.180 0.000 2.080 162 M HA -0.569 3.774 4.480 -0.228 0.000 0.260 162 M C 1.900 177.866 176.300 -0.557 0.000 1.068 162 M CA 3.991 59.104 55.300 -0.311 0.000 1.109 162 M CB 0.081 32.580 32.600 -0.169 0.000 1.342 162 M HN -0.108 8.175 8.290 -0.010 0.000 0.405 163 S N -1.853 113.299 115.700 -0.912 0.000 2.356 163 S HA -0.275 3.744 4.470 -0.751 0.000 0.223 163 S C 2.543 176.866 174.600 -0.463 0.000 1.032 163 S CA 3.443 61.144 58.200 -0.831 0.000 1.005 163 S CB -0.173 62.407 63.200 -1.033 0.000 0.867 163 S HN 0.073 7.730 8.310 -1.089 0.000 0.449 164 S N 2.831 118.269 115.700 -0.437 0.000 2.383 164 S HA -0.236 4.076 4.470 -0.264 0.000 0.229 164 S C 1.790 176.180 174.600 -0.351 0.000 1.030 164 S CA 2.911 60.907 58.200 -0.340 0.000 1.002 164 S CB -0.188 62.819 63.200 -0.322 0.000 0.829 164 S HN -0.361 7.668 8.310 -0.468 0.000 0.467 165 R N -0.140 120.076 120.500 -0.473 0.000 2.466 165 R HA 0.273 4.416 4.340 -0.328 0.000 0.279 165 R C 0.740 176.886 176.300 -0.257 0.000 0.976 165 R CA -0.998 54.854 56.100 -0.412 0.000 1.081 165 R CB -0.235 29.675 30.300 -0.650 0.000 1.215 165 R HN -0.540 7.385 8.270 -0.575 0.000 0.546 166 R N -0.471 119.895 120.500 -0.222 0.000 2.103 166 R HA -0.367 3.971 4.340 -0.108 -0.062 0.242 166 R C 1.944 178.210 176.300 -0.057 0.000 1.142 166 R CA 3.256 59.283 56.100 -0.123 0.000 0.960 166 R CB -0.925 29.311 30.300 -0.107 0.000 0.858 166 R HN -0.830 7.213 8.270 -0.252 0.076 0.439 167 Q N -2.239 117.520 119.800 -0.068 0.000 2.291 167 Q HA -0.191 4.136 4.340 -0.020 0.000 0.206 167 Q C 1.064 177.043 176.000 -0.036 0.000 0.976 167 Q CA 1.813 57.592 55.803 -0.039 0.000 0.875 167 Q CB -0.972 27.739 28.738 -0.045 0.000 0.927 167 Q HN 0.325 8.541 8.270 -0.091 0.000 0.450 168 S N -2.565 113.104 115.700 -0.051 0.000 2.460 168 S HA -0.053 4.390 4.470 -0.045 0.000 0.226 168 S C 1.427 176.022 174.600 -0.007 0.000 1.057 168 S CA 1.510 59.685 58.200 -0.043 0.000 0.948 168 S CB 0.830 63.997 63.200 -0.054 0.000 0.822 168 S HN -0.445 7.797 8.310 -0.073 0.024 0.512 169 V N -5.386 114.549 119.914 0.036 0.000 3.471 169 V HA 0.197 4.475 4.120 0.264 0.000 0.258 169 V C -1.062 175.183 176.094 0.251 0.000 1.192 169 V CA -0.029 62.394 62.300 0.206 0.000 1.116 169 V CB 1.208 33.169 31.823 0.231 0.000 0.792 169 V HN -0.500 7.682 8.190 -0.012 0.000 0.459 170 L N 0.465 121.777 121.223 0.148 0.000 2.276 170 L HA 0.313 5.000 4.340 0.273 -0.183 0.286 170 L C -0.029 176.940 176.870 0.164 0.000 1.061 170 L CA -0.370 54.587 54.840 0.195 0.000 0.807 170 L CB 0.432 42.589 42.059 0.163 0.000 1.177 170 L HN -0.751 7.528 8.230 0.083 0.000 0.429 171 V N -4.041 116.003 119.914 0.217 0.000 3.103 171 V HA 0.603 4.775 4.120 0.087 0.000 0.318 171 V C -0.612 175.580 176.094 0.163 0.000 1.114 171 V CA -3.397 58.990 62.300 0.145 0.000 1.020 171 V CB 3.241 35.121 31.823 0.096 0.000 1.085 171 V HN 0.157 8.527 8.190 0.300 0.000 0.446 172 K N -1.489 118.981 120.400 0.117 0.000 2.393 172 K HA 0.071 4.479 4.320 0.147 0.000 0.193 172 K C -0.667 176.028 176.600 0.159 0.000 1.026 172 K CA 0.564 56.929 56.287 0.130 0.000 1.064 172 K CB 0.842 33.395 32.500 0.089 0.000 0.833 172 K HN 0.176 9.111 8.250 0.082 -0.636 0.521 173 S N -5.952 109.846 115.700 0.163 0.000 2.565 173 S HA 0.146 4.760 4.470 0.240 0.000 0.269 173 S C -0.635 174.088 174.600 0.205 0.000 1.153 173 S CA -1.680 56.634 58.200 0.190 0.000 0.835 173 S CB 2.835 66.113 63.200 0.129 0.000 1.122 173 S HN -0.876 7.519 8.310 0.141 0.000 0.462 174 N N 2.066 120.928 118.700 0.271 0.000 2.104 174 N HA -0.411 4.638 4.740 0.515 0.000 0.190 174 N C 1.663 177.243 175.510 0.117 0.000 1.024 174 N CA 3.345 56.587 53.050 0.320 0.000 0.853 174 N CB -0.358 38.333 38.487 0.339 0.000 1.008 174 N HN 0.651 9.198 8.380 0.278 0.000 0.424 175 E N 0.750 121.009 120.200 0.099 0.000 2.070 175 E HA -0.420 3.966 4.350 0.060 0.000 0.197 175 E C 2.162 178.741 176.600 -0.034 0.000 1.004 175 E CA 3.527 59.956 56.400 0.047 0.000 0.805 175 E CB -0.281 29.454 29.700 0.059 0.000 0.744 175 E HN 0.269 8.703 8.360 0.124 0.001 0.451 176 E N -1.219 118.949 120.200 -0.053 0.000 2.150 176 E HA -0.251 4.042 4.350 -0.095 0.000 0.193 176 E C 2.613 179.048 176.600 -0.275 0.000 0.985 176 E CA 2.267 58.598 56.400 -0.114 0.000 0.814 176 E CB -0.091 29.571 29.700 -0.063 0.000 0.752 176 E HN -0.675 7.679 8.360 -0.010 0.000 0.466 177 G N -0.187 108.314 108.800 -0.497 0.000 2.418 177 G HA2 -0.254 3.154 3.960 -0.921 0.000 0.217 177 G HA3 -0.254 2.220 3.960 -2.476 0.000 0.217 177 G C 1.015 175.528 174.900 -0.645 0.000 1.158 177 G CA 1.925 46.330 45.100 -1.160 0.000 0.771 177 G HN -0.501 7.546 8.290 -0.405 0.000 0.545 178 I N 1.888 122.254 120.570 -0.340 0.000 2.226 178 I HA -0.616 3.550 4.170 -0.007 0.000 0.245 178 I C 1.603 177.683 176.117 -0.061 0.000 1.100 178 I CA 3.969 65.225 61.300 -0.075 0.000 1.374 178 I CB -0.234 37.780 38.000 0.024 0.000 1.057 178 I HN -0.126 7.908 8.210 -0.294 0.000 0.413 179 Q N -0.544 119.198 119.800 -0.097 0.000 2.096 179 Q HA -0.526 3.786 4.340 -0.046 0.000 0.204 179 Q C 2.604 178.540 176.000 -0.105 0.000 0.982 179 Q CA 3.671 59.426 55.803 -0.080 0.000 0.850 179 Q CB -0.107 28.580 28.738 -0.084 0.000 0.901 179 Q HN -0.433 7.768 8.270 -0.115 0.000 0.422 180 R N -1.251 119.126 120.500 -0.205 0.000 2.096 180 R HA -0.233 3.964 4.340 -0.238 0.000 0.235 180 R C 2.642 178.915 176.300 -0.045 0.000 1.127 180 R CA 2.763 58.692 56.100 -0.285 0.000 0.968 180 R CB -0.184 29.628 30.300 -0.814 0.000 0.861 180 R HN -0.445 7.667 8.270 -0.263 0.000 0.440 181 V N -0.297 119.691 119.914 0.123 0.000 2.407 181 V HA -0.337 4.186 4.120 0.395 -0.165 0.248 181 V C 1.935 178.100 176.094 0.118 0.000 1.055 181 V CA 3.612 66.065 62.300 0.255 0.000 1.049 181 V CB -0.130 31.855 31.823 0.270 0.000 0.662 181 V HN -0.495 7.742 8.190 0.077 0.000 0.455 182 L N -3.279 117.975 121.223 0.051 0.000 2.313 182 L HA -0.157 4.195 4.340 0.019 0.000 0.214 182 L C 1.419 178.296 176.870 0.012 0.000 1.119 182 L CA 2.210 57.062 54.840 0.021 0.000 0.809 182 L CB 0.479 42.543 42.059 0.008 0.000 0.933 182 L HN -0.490 7.744 8.230 0.033 0.015 0.449 183 T N -7.679 106.879 114.554 0.008 0.000 3.040 183 T HA 0.096 4.446 4.350 0.000 0.000 0.266 183 T C 0.163 174.869 174.700 0.010 0.000 1.005 183 T CA -0.300 61.798 62.100 -0.003 0.000 0.906 183 T CB 0.674 69.528 68.868 -0.025 0.000 1.082 183 T HN -0.419 7.784 8.240 0.007 0.041 0.531 184 S N 1.086 116.811 115.700 0.043 0.000 2.643 184 S HA 0.126 4.634 4.470 0.064 0.000 0.270 184 S C -1.667 173.033 174.600 0.167 0.000 1.166 184 S CA -0.918 57.329 58.200 0.078 0.000 0.815 184 S CB 2.355 65.584 63.200 0.049 0.000 1.139 184 S HN -0.628 7.718 8.310 0.059 0.000 0.472 185 D N 2.609 123.125 120.400 0.194 0.000 2.483 185 D HA 0.115 4.932 4.640 0.295 0.000 0.220 185 D C -1.974 174.553 176.300 0.378 0.000 1.173 185 D CA -0.023 54.141 54.000 0.274 0.000 0.964 185 D CB -1.023 39.902 40.800 0.209 0.000 1.046 185 D HN 0.288 8.753 8.370 0.159 0.000 0.517 186 Y N 4.951 125.430 120.300 0.298 0.000 2.482 186 Y HA 0.536 5.440 4.550 0.203 -0.231 0.334 186 Y C -2.871 173.231 175.900 0.337 0.000 1.091 186 Y CA -0.863 57.384 58.100 0.246 0.000 1.027 186 Y CB 3.821 42.382 38.460 0.169 0.000 1.306 186 Y HN -0.673 7.937 8.280 0.550 0.000 0.446 187 A N 6.418 129.111 122.820 -0.211 0.000 2.342 187 A HA 0.615 5.192 4.320 0.197 -0.139 0.323 187 A C -2.725 174.707 177.584 -0.254 0.000 1.125 187 A CA -2.406 49.553 52.037 -0.130 0.000 0.785 187 A CB 3.164 21.933 19.000 -0.385 0.000 1.221 187 A HN 0.647 8.549 8.150 -0.413 0.000 0.463 188 F N 3.995 123.877 119.950 -0.113 0.000 2.444 188 F HA 0.408 4.869 4.527 -0.110 0.000 0.342 188 F C -2.079 173.730 175.800 0.015 0.000 1.121 188 F CA -2.941 55.054 58.000 -0.009 0.000 0.997 188 F CB 3.457 42.593 39.000 0.227 0.000 1.130 188 F HN 0.162 8.639 8.300 0.294 0.000 0.454 189 L N 8.801 129.797 121.223 -0.377 0.000 2.278 189 L HA 0.451 4.853 4.340 -0.202 -0.183 0.287 189 L C -1.333 175.197 176.870 -0.565 0.000 1.072 189 L CA -0.345 54.297 54.840 -0.330 0.000 0.819 189 L CB -0.722 41.214 42.059 -0.206 0.000 1.176 189 L HN 0.570 8.593 8.230 -0.344 0.000 0.435 190 M N 3.646 123.052 119.600 -0.324 0.000 2.569 190 M HA 0.440 4.716 4.480 -0.339 0.000 0.279 190 M C -2.379 173.867 176.300 -0.089 0.000 1.253 190 M CA -0.868 54.282 55.300 -0.250 0.000 0.867 190 M CB 4.274 36.835 32.600 -0.064 0.000 1.727 190 M HN 0.376 8.550 8.290 -0.194 0.000 0.467 191 E N 1.695 121.880 120.200 -0.026 0.000 2.354 191 E HA 0.108 4.554 4.350 -0.073 -0.140 0.269 191 E C 1.368 178.002 176.600 0.057 0.000 1.036 191 E CA 0.075 56.471 56.400 -0.008 0.000 0.876 191 E CB 0.930 30.651 29.700 0.035 0.000 1.009 191 E HN 0.634 8.992 8.360 -0.003 0.000 0.416 192 S N 4.353 120.054 115.700 0.002 0.000 2.399 192 S HA -0.327 4.176 4.470 0.054 0.000 0.231 192 S C 1.684 176.356 174.600 0.121 0.000 1.022 192 S CA 3.671 61.893 58.200 0.036 0.000 0.983 192 S CB 0.170 63.351 63.200 -0.031 0.000 0.803 192 S HN 0.433 8.707 8.310 -0.060 0.000 0.480 193 T N -0.396 114.245 114.554 0.145 0.000 2.746 193 T HA -0.273 4.187 4.350 0.184 0.000 0.267 193 T C 1.793 176.843 174.700 0.582 0.000 1.039 193 T CA 3.128 65.406 62.100 0.297 0.000 1.142 193 T CB -0.437 68.629 68.868 0.331 0.000 0.866 193 T HN 0.046 8.334 8.240 0.081 0.000 0.444 194 T N 4.623 119.475 114.554 0.496 0.000 2.857 194 T HA -0.228 4.416 4.350 0.490 0.000 0.266 194 T C 1.530 176.463 174.700 0.388 0.000 1.048 194 T CA 4.649 67.029 62.100 0.467 0.000 1.139 194 T CB -0.161 68.959 68.868 0.419 0.000 0.874 194 T HN -0.771 7.716 8.240 0.412 0.000 0.455 195 I N 1.932 122.680 120.570 0.296 0.000 2.208 195 I HA -0.506 3.808 4.170 0.241 0.000 0.245 195 I C 1.432 177.697 176.117 0.246 0.000 1.097 195 I CA 4.435 65.879 61.300 0.239 0.000 1.363 195 I CB -0.320 37.779 38.000 0.165 0.000 1.051 195 I HN -0.190 8.175 8.210 0.258 0.000 0.413 196 E N 0.429 120.806 120.200 0.296 0.000 2.085 196 E HA -0.375 4.102 4.350 0.211 0.000 0.194 196 E C 2.244 179.061 176.600 0.363 0.000 0.994 196 E CA 2.967 59.551 56.400 0.307 0.000 0.801 196 E CB -0.100 29.798 29.700 0.330 0.000 0.743 196 E HN -0.409 8.136 8.360 0.309 0.000 0.453 197 F N 0.217 120.340 119.950 0.289 0.000 2.113 197 F HA -0.213 4.480 4.527 0.009 -0.160 0.297 197 F C 2.115 177.928 175.800 0.023 0.000 1.103 197 F CA 3.115 61.122 58.000 0.012 0.000 1.248 197 F CB 0.371 39.166 39.000 -0.341 0.000 0.999 197 F HN -0.826 7.862 8.300 0.648 0.000 0.475 198 V N -0.810 119.175 119.914 0.118 0.000 2.358 198 V HA -0.684 3.405 4.120 -0.052 0.000 0.246 198 V C 1.773 177.849 176.094 -0.029 0.000 1.047 198 V CA 4.284 66.604 62.300 0.033 0.000 1.035 198 V CB -0.102 31.826 31.823 0.175 0.000 0.658 198 V HN -0.148 8.213 8.190 0.285 0.000 0.452 199 T N -2.901 111.671 114.554 0.029 0.000 2.915 199 T HA -0.302 4.060 4.350 0.019 0.000 0.269 199 T C 1.807 176.492 174.700 -0.024 0.000 1.071 199 T CA 2.978 65.090 62.100 0.021 0.000 1.132 199 T CB -0.023 68.880 68.868 0.058 0.000 0.878 199 T HN -0.152 8.136 8.240 0.079 0.000 0.479 200 Q N -0.781 118.983 119.800 -0.060 0.000 2.369 200 Q HA -0.128 4.189 4.340 -0.038 0.000 0.206 200 Q C 1.500 177.416 176.000 -0.139 0.000 0.963 200 Q CA 2.249 58.003 55.803 -0.081 0.000 0.894 200 Q CB 0.053 28.745 28.738 -0.076 0.000 0.965 200 Q HN -0.607 7.626 8.270 -0.063 0.000 0.475 201 R N -3.958 116.423 120.500 -0.198 0.000 2.344 201 R HA 0.061 4.306 4.340 -0.158 0.000 0.209 201 R C -0.300 175.939 176.300 -0.101 0.000 0.886 201 R CA 0.483 56.471 56.100 -0.187 0.000 1.040 201 R CB 1.860 31.969 30.300 -0.318 0.000 1.114 201 R HN -0.626 7.362 8.270 -0.211 0.155 0.547 202 N N 1.041 119.699 118.700 -0.071 0.000 2.706 202 N HA 0.207 4.928 4.740 -0.031 0.000 0.240 202 N C -0.742 174.755 175.510 -0.021 0.000 1.039 202 N CA -0.557 52.474 53.050 -0.032 0.000 0.888 202 N CB 0.770 39.253 38.487 -0.008 0.000 1.128 202 N HN -0.200 8.135 8.380 -0.074 0.000 0.512 203 C N 3.323 122.610 119.300 -0.022 0.000 2.491 203 C HA -0.131 4.321 4.460 -0.013 0.000 0.277 203 C C 0.214 175.197 174.990 -0.012 0.000 1.455 203 C CA 1.721 60.730 59.018 -0.015 0.000 1.758 203 C CB 0.346 28.076 27.740 -0.016 0.000 1.745 203 C HN 0.833 9.048 8.230 -0.025 0.000 0.558 204 N N 0.108 118.800 118.700 -0.013 0.000 2.398 204 N HA -0.079 4.648 4.740 -0.022 0.000 0.188 204 N C -1.225 174.272 175.510 -0.021 0.000 1.122 204 N CA 1.109 54.146 53.050 -0.020 0.000 0.866 204 N CB -0.654 37.818 38.487 -0.024 0.000 0.970 204 N HN 0.219 8.546 8.380 -0.013 0.045 0.462 205 L N -1.479 119.744 121.223 -0.001 0.000 2.322 205 L HA 0.663 5.137 4.340 0.006 -0.130 0.269 205 L C -0.834 176.057 176.870 0.036 0.000 1.012 205 L CA -0.809 54.043 54.840 0.020 0.000 0.815 205 L CB 2.564 44.653 42.059 0.049 0.000 1.295 205 L HN -0.636 7.537 8.230 0.002 0.058 0.438 206 T N -0.674 113.916 114.554 0.060 0.000 2.843 206 T HA 0.347 4.734 4.350 0.061 0.000 0.302 206 T C -2.200 172.559 174.700 0.098 0.000 1.232 206 T CA -1.896 60.245 62.100 0.068 0.000 1.009 206 T CB 2.632 71.531 68.868 0.052 0.000 1.254 206 T HN 0.443 8.727 8.240 0.074 0.000 0.504 207 Q N 3.995 123.845 119.800 0.084 0.000 2.314 207 Q HA 0.410 5.019 4.340 0.092 -0.214 0.258 207 Q C -0.530 175.513 176.000 0.073 0.000 0.954 207 Q CA -0.082 55.770 55.803 0.080 0.000 0.890 207 Q CB 1.137 29.912 28.738 0.062 0.000 1.210 207 Q HN 0.212 8.526 8.270 0.073 0.000 0.410 208 I N 6.252 126.863 120.570 0.070 0.000 2.339 208 I HA 0.121 4.328 4.170 0.061 0.000 0.290 208 I C -0.441 175.690 176.117 0.022 0.000 0.994 208 I CA -1.684 59.649 61.300 0.055 0.000 1.191 208 I CB -0.462 37.572 38.000 0.057 0.000 1.343 208 I HN 0.230 8.480 8.210 0.068 0.000 0.458 209 G N 5.403 114.214 108.800 0.018 0.000 2.645 209 G HA2 -0.358 3.606 3.960 0.007 0.000 0.239 209 G HA3 -0.358 3.604 3.960 0.003 0.000 0.239 209 G C -1.373 173.528 174.900 0.002 0.000 1.331 209 G CA 0.006 45.110 45.100 0.007 0.000 0.890 209 G HN 0.098 8.402 8.290 0.024 0.000 0.572 210 G N -2.218 106.578 108.800 -0.007 0.000 2.857 210 G HA2 0.216 4.166 3.960 -0.016 0.000 0.217 210 G HA3 0.216 4.164 3.960 -0.020 0.000 0.217 210 G C -1.628 173.248 174.900 -0.039 0.000 1.357 210 G CA -0.907 44.181 45.100 -0.019 0.000 1.033 210 G HN 0.042 8.330 8.290 -0.004 0.000 0.571 211 L N -1.522 119.665 121.223 -0.060 0.000 2.349 211 L HA 0.006 4.444 4.340 -0.113 -0.166 0.275 211 L C 0.863 177.664 176.870 -0.115 0.000 1.115 211 L CA 0.304 55.082 54.840 -0.103 0.000 0.820 211 L CB 0.765 42.753 42.059 -0.118 0.000 1.135 211 L HN 0.013 8.210 8.230 -0.055 0.000 0.445 212 I N 1.078 121.536 120.570 -0.186 0.000 2.584 212 I HA -0.123 3.990 4.170 -0.096 0.000 0.255 212 I C 0.024 175.957 176.117 -0.307 0.000 1.145 212 I CA 1.916 63.075 61.300 -0.236 0.000 1.462 212 I CB 0.875 38.625 38.000 -0.417 0.000 1.102 212 I HN 0.630 8.707 8.210 -0.221 0.000 0.433 213 D N -3.421 116.753 120.400 -0.377 0.000 2.812 213 D HA 0.107 4.606 4.640 -0.235 0.000 0.318 213 D C -2.116 174.025 176.300 -0.264 0.000 1.234 213 D CA -1.323 52.469 54.000 -0.346 0.000 0.989 213 D CB 1.756 42.207 40.800 -0.583 0.000 1.442 213 D HN -0.646 7.503 8.370 -0.368 0.000 0.537 214 S N -0.194 115.370 115.700 -0.226 0.000 2.614 214 S HA 0.525 5.041 4.470 -0.211 -0.173 0.288 214 S C -0.646 173.830 174.600 -0.206 0.000 1.137 214 S CA -1.205 56.876 58.200 -0.197 0.000 0.992 214 S CB 1.690 64.803 63.200 -0.145 0.000 1.026 214 S HN 0.026 8.208 8.310 -0.213 0.000 0.486 215 K N 4.155 124.409 120.400 -0.243 0.000 2.533 215 K HA 0.316 4.506 4.320 -0.215 0.000 0.284 215 K C -2.761 173.649 176.600 -0.317 0.000 1.025 215 K CA -1.334 54.801 56.287 -0.253 0.000 0.900 215 K CB 2.579 34.928 32.500 -0.252 0.000 1.519 215 K HN 0.491 8.583 8.250 -0.264 0.000 0.432 216 G N -2.610 105.996 108.800 -0.322 0.000 2.473 216 G HA2 0.646 4.479 3.960 -0.443 0.000 0.321 216 G HA3 0.646 4.417 3.960 -0.314 0.000 0.321 216 G C -2.097 172.570 174.900 -0.388 0.000 1.200 216 G CA -1.656 43.217 45.100 -0.379 0.000 0.963 216 G HN 0.102 8.217 8.290 -0.293 0.000 0.483 217 Y N -0.456 119.551 120.300 -0.488 0.000 2.313 217 Y HA 0.539 5.021 4.550 -0.423 -0.185 0.332 217 Y C -0.396 175.049 175.900 -0.759 0.000 1.071 217 Y CA -2.409 55.316 58.100 -0.626 0.000 1.169 217 Y CB 1.092 39.043 38.460 -0.847 0.000 1.192 217 Y HN -0.058 7.883 8.280 -0.565 0.000 0.487 218 G N 0.105 108.839 108.800 -0.110 0.000 2.569 218 G HA2 0.591 4.639 3.960 0.146 0.000 0.300 218 G HA3 0.591 4.683 3.960 0.219 0.000 0.300 218 G C -2.111 173.077 174.900 0.480 0.000 1.269 218 G CA -1.616 43.596 45.100 0.185 0.000 0.959 218 G HN -0.065 8.237 8.290 0.020 0.000 0.478 219 V N 1.236 121.429 119.914 0.465 0.000 2.470 219 V HA -0.157 4.258 4.120 0.258 -0.140 0.276 219 V C 0.089 176.264 176.094 0.135 0.000 1.040 219 V CA 0.706 63.168 62.300 0.269 0.000 1.008 219 V CB 0.431 32.351 31.823 0.162 0.000 0.990 219 V HN -0.021 8.441 8.190 0.455 0.000 0.477 220 G N 6.550 115.329 108.800 -0.035 0.000 2.444 220 G HA2 0.506 4.285 3.960 -0.569 0.000 0.268 220 G HA3 0.506 4.207 3.960 -0.432 0.000 0.268 220 G C -2.047 172.684 174.900 -0.282 0.000 1.203 220 G CA -1.115 43.775 45.100 -0.351 0.000 0.835 220 G HN 0.125 8.409 8.290 -0.010 0.000 0.543 221 T N -1.774 112.579 114.554 -0.335 0.000 2.883 221 T HA 0.728 4.923 4.350 -0.258 0.000 0.301 221 T C -2.480 172.034 174.700 -0.310 0.000 1.158 221 T CA -3.400 58.543 62.100 -0.261 0.000 1.007 221 T CB 1.907 70.687 68.868 -0.147 0.000 1.186 221 T HN 0.433 8.417 8.240 -0.427 0.000 0.499 222 P HA -0.046 4.154 4.420 -0.366 0.000 0.267 222 P C -0.635 176.535 177.300 -0.217 0.000 1.200 222 P CA 0.165 63.046 63.100 -0.365 0.000 0.772 222 P CB 0.531 31.811 31.700 -0.701 0.000 0.855 223 M N 3.950 123.451 119.600 -0.166 0.000 2.261 223 M HA -0.637 3.922 4.480 -0.105 -0.142 0.350 223 M C 0.913 177.194 176.300 -0.032 0.000 1.343 223 M CA 2.218 57.463 55.300 -0.092 0.000 1.003 223 M CB 0.091 32.647 32.600 -0.073 0.000 1.848 223 M HN 0.555 8.738 8.290 -0.179 0.000 0.456 224 G N 4.422 113.205 108.800 -0.028 0.000 2.176 224 G HA2 -0.412 3.542 3.960 -0.009 0.000 0.253 224 G HA3 -0.412 3.552 3.960 0.008 0.000 0.253 224 G C -0.706 174.191 174.900 -0.004 0.000 0.979 224 G CA -0.298 44.798 45.100 -0.006 0.000 0.641 224 G HN 0.445 9.053 8.290 -0.038 -0.340 0.530 225 S N 2.053 117.743 115.700 -0.015 0.000 2.549 225 S HA 0.228 4.712 4.470 0.023 0.000 0.286 225 S C 0.458 175.054 174.600 -0.007 0.000 1.314 225 S CA -2.375 55.828 58.200 0.005 0.000 1.062 225 S CB 0.919 64.123 63.200 0.005 0.000 0.865 225 S HN -0.609 7.635 8.310 -0.038 0.042 0.498 226 P HA -0.000 4.366 4.420 -0.089 0.000 0.226 226 P C 0.294 177.480 177.300 -0.190 0.000 1.153 226 P CA 1.340 64.362 63.100 -0.130 0.000 0.777 226 P CB 0.114 31.696 31.700 -0.196 0.000 0.794 227 Y N -1.412 118.854 120.300 -0.056 0.000 2.439 227 Y HA -0.299 4.226 4.550 -0.042 0.000 0.292 227 Y C 1.729 177.607 175.900 -0.037 0.000 1.130 227 Y CA 3.183 61.245 58.100 -0.062 0.000 1.254 227 Y CB -0.486 37.895 38.460 -0.132 0.000 1.000 227 Y HN -0.327 7.957 8.280 0.068 0.036 0.554 228 R N -0.181 120.370 120.500 0.085 0.000 2.103 228 R HA -0.525 3.859 4.340 0.073 0.000 0.234 228 R C 1.450 177.789 176.300 0.065 0.000 1.132 228 R CA 4.542 60.680 56.100 0.063 0.000 0.925 228 R CB -0.333 29.985 30.300 0.031 0.000 0.842 228 R HN -0.785 7.499 8.270 0.062 0.023 0.430 229 D N -2.317 118.104 120.400 0.035 0.000 2.178 229 D HA -0.163 4.502 4.640 0.043 0.000 0.202 229 D C 2.385 178.709 176.300 0.041 0.000 0.974 229 D CA 3.107 57.127 54.000 0.032 0.000 0.841 229 D CB -0.709 40.098 40.800 0.011 0.000 0.953 229 D HN 0.050 8.430 8.370 0.016 0.000 0.478 230 K N -0.076 120.345 120.400 0.036 0.000 2.057 230 K HA -0.236 4.110 4.320 0.043 0.000 0.206 230 K C 2.580 179.244 176.600 0.107 0.000 1.050 230 K CA 3.288 59.609 56.287 0.057 0.000 0.935 230 K CB 0.049 32.572 32.500 0.038 0.000 0.715 230 K HN -0.936 7.324 8.250 0.017 0.000 0.439 231 I N -0.089 120.562 120.570 0.135 0.000 2.315 231 I HA -0.463 3.800 4.170 0.155 0.000 0.248 231 I C 1.533 177.724 176.117 0.122 0.000 1.117 231 I CA 3.892 65.278 61.300 0.144 0.000 1.404 231 I CB -0.181 37.907 38.000 0.146 0.000 1.071 231 I HN -0.043 8.249 8.210 0.137 0.000 0.419 232 T N 3.180 117.799 114.554 0.108 0.000 2.665 232 T HA -0.445 3.974 4.350 0.115 0.000 0.268 232 T C 1.828 176.578 174.700 0.084 0.000 1.035 232 T CA 5.659 67.819 62.100 0.098 0.000 1.151 232 T CB -0.211 68.704 68.868 0.079 0.000 0.862 232 T HN -0.266 8.035 8.240 0.101 0.000 0.438 233 I N 0.127 120.739 120.570 0.071 0.000 2.252 233 I HA -0.455 3.747 4.170 0.054 0.000 0.245 233 I C 1.326 177.481 176.117 0.064 0.000 1.102 233 I CA 3.738 65.073 61.300 0.059 0.000 1.385 233 I CB -0.263 37.765 38.000 0.046 0.000 1.064 233 I HN -0.640 7.612 8.210 0.069 0.000 0.414 234 A N 0.743 123.608 122.820 0.075 0.000 1.902 234 A HA -0.285 4.071 4.320 0.059 0.000 0.217 234 A C 2.074 179.700 177.584 0.070 0.000 1.181 234 A CA 3.048 55.128 52.037 0.070 0.000 0.623 234 A CB -0.714 18.336 19.000 0.083 0.000 0.818 234 A HN -0.457 7.744 8.150 0.084 0.000 0.443 235 I N -1.547 119.078 120.570 0.092 0.000 2.226 235 I HA -0.623 3.608 4.170 0.102 0.000 0.245 235 I C 1.661 177.837 176.117 0.099 0.000 1.100 235 I CA 4.516 65.883 61.300 0.113 0.000 1.374 235 I CB 0.006 38.108 38.000 0.169 0.000 1.057 235 I HN -0.159 8.112 8.210 0.102 0.000 0.413 236 L N -1.871 119.402 121.223 0.084 0.000 2.083 236 L HA -0.498 3.885 4.340 0.071 0.000 0.209 236 L C 2.103 179.007 176.870 0.056 0.000 1.083 236 L CA 3.216 58.096 54.840 0.067 0.000 0.752 236 L CB -0.790 41.301 42.059 0.054 0.000 0.899 236 L HN -0.281 7.998 8.230 0.082 0.000 0.433 237 Q N -0.026 119.805 119.800 0.052 0.000 2.050 237 Q HA -0.362 4.001 4.340 0.038 0.000 0.202 237 Q C 2.488 178.515 176.000 0.045 0.000 0.980 237 Q CA 3.467 59.295 55.803 0.042 0.000 0.840 237 Q CB 0.068 28.829 28.738 0.038 0.000 0.898 237 Q HN -0.431 7.872 8.270 0.054 0.000 0.424 238 L N -1.679 119.574 121.223 0.050 0.000 2.083 238 L HA -0.342 4.023 4.340 0.041 0.000 0.209 238 L C 2.408 179.320 176.870 0.069 0.000 1.083 238 L CA 2.771 57.642 54.840 0.051 0.000 0.752 238 L CB -0.308 41.776 42.059 0.042 0.000 0.899 238 L HN -0.079 8.182 8.230 0.052 0.000 0.433 239 Q N -1.297 118.552 119.800 0.081 0.000 2.046 239 Q HA -0.395 4.009 4.340 0.107 0.000 0.200 239 Q C 2.469 178.507 176.000 0.063 0.000 0.975 239 Q CA 3.072 58.928 55.803 0.088 0.000 0.836 239 Q CB -0.349 28.444 28.738 0.091 0.000 0.896 239 Q HN 0.044 8.363 8.270 0.082 0.000 0.428 240 E N -0.209 120.020 120.200 0.048 0.000 2.150 240 E HA -0.227 4.139 4.350 0.028 0.000 0.193 240 E C 1.978 178.596 176.600 0.031 0.000 0.985 240 E CA 2.331 58.751 56.400 0.033 0.000 0.814 240 E CB -0.086 29.631 29.700 0.028 0.000 0.752 240 E HN -0.547 7.843 8.360 0.049 0.000 0.466 241 E N -3.599 116.624 120.200 0.037 0.000 2.482 241 E HA -0.104 4.263 4.350 0.028 0.000 0.196 241 E C 0.388 177.015 176.600 0.045 0.000 1.047 241 E CA 0.123 56.544 56.400 0.035 0.000 0.869 241 E CB 0.426 30.146 29.700 0.034 0.000 0.836 241 E HN -0.471 7.914 8.360 0.041 0.000 0.520 242 G N -2.090 106.746 108.800 0.060 0.000 2.175 242 G HA2 -0.442 3.575 3.960 0.095 0.000 0.244 242 G HA3 -0.442 3.566 3.960 0.080 0.000 0.244 242 G C 0.512 175.487 174.900 0.126 0.000 0.982 242 G CA 0.463 45.618 45.100 0.091 0.000 0.641 242 G HN -0.212 7.948 8.290 0.061 0.166 0.527 243 K N 1.289 121.745 120.400 0.093 0.000 2.155 243 K HA -0.210 4.158 4.320 0.079 0.000 0.203 243 K C 1.696 178.356 176.600 0.099 0.000 1.052 243 K CA 2.921 59.256 56.287 0.079 0.000 0.948 243 K CB -0.055 32.471 32.500 0.044 0.000 0.728 243 K HN -0.384 7.876 8.250 0.077 0.037 0.448 244 L N -2.622 118.679 121.223 0.130 0.000 2.093 244 L HA -0.296 4.128 4.340 0.139 0.000 0.208 244 L C 1.852 178.867 176.870 0.242 0.000 1.085 244 L CA 3.056 58.007 54.840 0.185 0.000 0.755 244 L CB -0.506 41.689 42.059 0.227 0.000 0.904 244 L HN -0.794 7.512 8.230 0.127 0.000 0.435 245 H N -0.771 118.372 119.070 0.121 0.000 2.357 245 H HA -0.341 4.277 4.556 0.103 0.000 0.301 245 H C 1.764 177.163 175.328 0.118 0.000 1.082 245 H CA 3.806 59.916 56.048 0.103 0.000 1.342 245 H CB -0.104 29.695 29.762 0.061 0.000 1.389 245 H HN -0.098 8.361 8.280 0.298 0.000 0.511 246 M N -1.091 118.556 119.600 0.080 0.000 2.159 246 M HA -0.394 4.061 4.480 -0.042 0.000 0.263 246 M C 2.331 178.665 176.300 0.057 0.000 1.063 246 M CA 4.155 59.470 55.300 0.025 0.000 1.110 246 M CB 0.138 32.782 32.600 0.074 0.000 1.374 246 M HN -0.528 7.863 8.290 0.170 0.000 0.411 247 M N -1.185 118.497 119.600 0.138 0.000 2.200 247 M HA -0.408 4.220 4.480 0.247 0.000 0.265 247 M C 1.911 178.534 176.300 0.538 0.000 1.066 247 M CA 4.222 59.682 55.300 0.267 0.000 1.127 247 M CB -0.110 32.524 32.600 0.057 0.000 1.379 247 M HN -0.265 8.020 8.290 0.132 0.084 0.420 248 K N 0.201 120.863 120.400 0.436 0.000 2.057 248 K HA -0.417 4.244 4.320 0.568 0.000 0.206 248 K C 2.012 178.787 176.600 0.293 0.000 1.050 248 K CA 3.846 60.334 56.287 0.335 0.000 0.935 248 K CB -0.147 32.311 32.500 -0.070 0.000 0.715 248 K HN -0.197 8.245 8.250 0.320 0.000 0.439 249 E N -1.468 118.758 120.200 0.043 0.000 2.077 249 E HA -0.467 3.915 4.350 0.053 0.000 0.193 249 E C 2.120 178.779 176.600 0.098 0.000 0.989 249 E CA 3.213 59.625 56.400 0.021 0.000 0.800 249 E CB -0.211 29.407 29.700 -0.136 0.000 0.746 249 E HN -0.338 7.968 8.360 -0.089 0.000 0.452 250 K N -0.647 119.787 120.400 0.057 0.000 2.032 250 K HA -0.319 3.909 4.320 -0.153 0.000 0.209 250 K C 1.618 178.101 176.600 -0.196 0.000 1.048 250 K CA 2.658 58.861 56.287 -0.140 0.000 0.927 250 K CB -0.011 32.321 32.500 -0.281 0.000 0.712 250 K HN -0.420 7.876 8.250 0.077 0.000 0.441 251 W N -4.742 116.729 121.300 0.285 0.000 2.942 251 W HA -0.046 4.676 4.660 0.103 0.000 0.263 251 W C 1.477 178.101 176.519 0.176 0.000 1.296 251 W CA 0.720 58.182 57.345 0.196 0.000 1.504 251 W CB 0.832 30.403 29.460 0.184 0.000 1.096 251 W HN -0.786 7.706 8.180 0.521 0.000 0.639 252 W N -2.847 118.621 121.300 0.279 0.000 2.996 252 W HA 0.039 4.985 4.660 0.476 0.000 0.270 252 W C 0.980 177.593 176.519 0.157 0.000 1.280 252 W CA 1.419 58.935 57.345 0.285 0.000 1.549 252 W CB 1.294 30.870 29.460 0.194 0.000 1.079 252 W HN -0.106 8.538 8.180 0.774 0.000 0.629 253 R N 0.000 120.656 120.500 0.260 0.000 2.786 253 R HA 0.000 4.401 4.340 0.101 0.000 0.208 253 R CA 0.000 56.167 56.100 0.111 0.000 0.921 253 R CB 0.000 30.321 30.300 0.035 0.000 0.687 253 R HN 0.000 8.426 8.270 0.260 0.000 0.535