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 1o5g_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF 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 16 I HA 0.000 4.214 4.170 0.073 0.000 0.288 16 I C 0.000 176.150 176.117 0.056 0.000 1.063 16 I CA 0.000 61.335 61.300 0.058 0.000 1.566 16 I CB 0.000 38.021 38.000 0.035 0.000 1.214 17 V N 6.541 126.493 119.914 0.063 0.000 2.459 17 V HA 0.324 4.606 4.120 0.049 -0.133 0.295 17 V C 0.093 176.224 176.094 0.061 0.000 1.029 17 V CA -1.864 60.470 62.300 0.057 0.000 0.874 17 V CB 1.737 33.594 31.823 0.056 0.000 0.985 17 V HN 0.762 8.996 8.190 0.074 0.000 0.438 18 E N 2.080 122.308 120.200 0.048 0.000 2.513 18 E HA -0.386 3.983 4.350 0.032 0.000 0.257 18 E C -1.116 175.515 176.600 0.051 0.000 1.098 18 E CA 0.901 57.327 56.400 0.044 0.000 0.752 18 E CB -2.405 27.322 29.700 0.046 0.000 1.324 18 E HN 0.770 9.154 8.360 0.041 0.000 0.403 19 G N -4.027 104.800 108.800 0.045 0.000 2.735 19 G HA2 0.467 4.450 3.960 0.050 0.000 0.301 19 G HA3 0.467 4.497 3.960 0.037 -0.048 0.301 19 G C -1.683 173.230 174.900 0.023 0.000 1.279 19 G CA -1.076 44.048 45.100 0.039 0.000 1.019 19 G HN -0.557 7.738 8.290 0.040 0.018 0.497 20 S N -1.664 114.044 115.700 0.013 0.000 2.751 20 S HA 0.295 4.772 4.470 0.012 0.000 0.310 20 S C -1.515 173.083 174.600 -0.003 0.000 1.128 20 S CA -1.419 56.786 58.200 0.009 0.000 0.931 20 S CB 3.011 66.219 63.200 0.012 0.000 1.177 20 S HN 0.366 8.684 8.310 0.012 0.000 0.530 21 D N 0.720 121.124 120.400 0.006 0.000 2.382 21 D HA 0.096 5.018 4.640 -0.021 -0.295 0.245 21 D C 0.129 176.441 176.300 0.020 0.000 1.120 21 D CA 0.669 54.674 54.000 0.008 0.000 0.890 21 D CB 0.436 41.261 40.800 0.041 0.000 1.201 21 D HN 0.097 8.476 8.370 0.014 0.000 0.433 22 A N 4.023 126.856 122.820 0.021 0.000 2.296 22 A HA -0.008 4.297 4.320 -0.024 0.000 0.264 22 A C -0.554 177.086 177.584 0.093 0.000 1.097 22 A CA -0.589 51.461 52.037 0.020 0.000 0.811 22 A CB 1.552 20.536 19.000 -0.027 0.000 1.072 22 A HN 0.594 8.634 8.150 -0.014 0.102 0.495 23 E N -1.248 118.951 120.200 -0.003 0.000 2.250 23 E HA 0.125 4.453 4.350 -0.037 0.000 0.265 23 E C -0.700 175.825 176.600 -0.126 0.000 1.033 23 E CA -1.930 54.438 56.400 -0.052 0.000 0.888 23 E CB 1.398 31.058 29.700 -0.067 0.000 1.151 23 E HN -0.036 8.295 8.360 -0.049 0.000 0.412 24 I N 0.634 121.074 120.570 -0.217 0.000 2.648 24 I HA -0.137 3.818 4.170 -0.358 0.000 0.284 24 I C 1.155 177.209 176.117 -0.104 0.000 1.153 24 I CA 0.823 61.980 61.300 -0.239 0.000 1.426 24 I CB -0.350 37.531 38.000 -0.199 0.000 1.381 24 I HN 0.193 8.290 8.210 -0.189 0.000 0.571 25 G N 4.194 112.961 108.800 -0.054 0.000 2.168 25 G HA2 -0.399 3.510 3.960 -0.085 0.000 0.257 25 G HA3 -0.399 3.483 3.960 -0.131 0.000 0.257 25 G C -1.072 173.663 174.900 -0.274 0.000 0.997 25 G CA 0.606 45.631 45.100 -0.124 0.000 0.708 25 G HN 0.132 8.412 8.290 -0.017 0.000 0.520 26 M N -0.835 118.602 119.600 -0.271 0.000 2.254 26 M HA -0.161 4.123 4.480 -0.326 0.000 0.265 26 M C -1.262 174.664 176.300 -0.624 0.000 1.066 26 M CA 2.303 57.390 55.300 -0.355 0.000 1.123 26 M CB 1.326 33.785 32.600 -0.236 0.000 1.388 26 M HN -0.507 7.613 8.290 -0.196 0.053 0.425 27 S N -3.807 111.488 115.700 -0.676 0.000 2.128 27 S HA 0.418 3.844 4.470 -1.739 0.000 0.157 27 S C -1.436 172.492 174.600 -1.121 0.000 1.650 27 S CA -1.989 55.543 58.200 -1.114 0.000 1.269 27 S CB 0.989 63.825 63.200 -0.606 0.000 1.227 27 S HN -0.025 8.005 8.310 -0.467 0.000 0.405 28 P HA 0.173 4.530 4.420 -0.295 -0.114 0.234 28 P C -0.045 177.082 177.300 -0.289 0.000 1.167 28 P CA 1.479 64.268 63.100 -0.519 0.000 0.763 28 P CB 0.050 31.524 31.700 -0.375 0.000 0.835 29 W N -5.304 115.979 121.300 -0.028 0.000 3.278 29 W HA 0.205 4.915 4.660 0.004 -0.047 0.308 29 W C -0.827 175.713 176.519 0.035 0.000 1.253 29 W CA -3.112 54.231 57.345 -0.004 0.000 1.759 29 W CB -1.337 28.108 29.460 -0.024 0.000 1.093 29 W HN -0.471 6.621 8.180 -1.669 0.086 0.648 30 Q N 2.703 122.522 119.800 0.031 0.000 2.311 30 Q HA 0.016 4.476 4.340 0.201 0.000 0.272 30 Q C -1.173 174.954 176.000 0.212 0.000 1.012 30 Q CA 0.675 56.543 55.803 0.109 0.000 0.891 30 Q CB 0.127 28.808 28.738 -0.096 0.000 1.201 30 Q HN -0.318 7.610 8.270 -0.286 0.170 0.391 31 V N 5.181 125.255 119.914 0.266 0.000 2.960 31 V HA 0.399 4.802 4.120 0.266 -0.124 0.315 31 V C -1.522 174.795 176.094 0.371 0.000 1.087 31 V CA -1.877 60.591 62.300 0.280 0.000 0.982 31 V CB 3.856 35.814 31.823 0.224 0.000 1.039 31 V HN 0.177 8.518 8.190 0.251 0.000 0.437 32 M N 2.969 122.745 119.600 0.294 0.000 2.253 32 M HA 0.435 5.252 4.480 0.363 -0.119 0.314 32 M C -2.064 174.353 176.300 0.194 0.000 1.019 32 M CA -1.233 54.218 55.300 0.252 0.000 0.932 32 M CB 3.554 36.147 32.600 -0.011 0.000 1.606 32 M HN 0.015 8.433 8.290 0.214 0.000 0.430 33 L N 5.813 127.154 121.223 0.197 0.000 2.264 33 L HA 0.466 5.040 4.340 0.162 -0.137 0.289 33 L C -1.832 175.158 176.870 0.200 0.000 1.044 33 L CA -0.858 54.080 54.840 0.163 0.000 0.807 33 L CB 1.035 43.161 42.059 0.112 0.000 1.192 33 L HN 0.716 9.072 8.230 0.209 0.000 0.425 34 F N 5.587 125.544 119.950 0.011 0.000 2.495 34 F HA 0.726 5.403 4.527 -0.014 -0.159 0.327 34 F C -2.155 173.642 175.800 -0.006 0.000 1.103 34 F CA -2.012 55.982 58.000 -0.009 0.000 0.949 34 F CB 4.385 43.371 39.000 -0.023 0.000 1.142 34 F HN 0.998 9.349 8.300 0.255 0.102 0.457 35 R N 4.240 124.403 120.500 -0.560 0.000 2.523 35 R HA 0.545 4.917 4.340 -0.173 -0.136 0.223 35 R C 0.350 176.406 176.300 -0.407 0.000 1.280 35 R CA -1.703 54.181 56.100 -0.359 0.000 1.047 35 R CB 2.895 33.002 30.300 -0.322 0.000 1.650 35 R HN 0.885 8.499 8.270 -0.915 0.107 0.545 36 S N 0.456 116.096 115.700 -0.101 0.000 2.555 36 S HA 0.067 4.490 4.470 -0.079 0.000 0.293 36 S C -0.985 173.560 174.600 -0.092 0.000 1.248 36 S CA -0.367 57.784 58.200 -0.082 0.000 1.096 36 S CB -1.171 61.999 63.200 -0.050 0.000 0.881 36 S HN -0.301 7.948 8.310 -0.101 0.000 0.498 37 P HA -0.101 4.272 4.420 -0.078 0.000 0.271 37 P C -1.271 175.911 177.300 -0.197 0.000 1.233 37 P CA -0.330 62.705 63.100 -0.109 0.000 0.795 37 P CB 0.702 32.349 31.700 -0.089 0.000 0.936 38 Q N -0.615 119.076 119.800 -0.181 0.000 2.377 38 Q HA 0.118 4.421 4.340 -0.589 -0.317 0.249 38 Q C -0.669 175.047 176.000 -0.473 0.000 1.005 38 Q CA -0.322 55.272 55.803 -0.349 0.000 0.912 38 Q CB 0.710 29.497 28.738 0.081 0.000 1.223 38 Q HN 0.092 8.304 8.270 -0.097 0.000 0.459 39 E N 0.565 120.239 120.200 -0.876 0.000 2.392 39 E HA 0.225 4.445 4.350 -0.217 0.000 0.279 39 E C -1.947 174.385 176.600 -0.446 0.000 0.964 39 E CA -2.142 53.980 56.400 -0.462 0.000 0.777 39 E CB 2.971 32.541 29.700 -0.218 0.000 1.249 39 E HN -0.228 7.433 8.360 -1.165 0.000 0.449 40 L N 1.288 122.474 121.223 -0.062 0.000 2.455 40 L HA -0.066 4.500 4.340 0.190 -0.112 0.272 40 L C -0.956 175.923 176.870 0.015 0.000 1.174 40 L CA 0.714 55.601 54.840 0.079 0.000 0.869 40 L CB 0.024 42.150 42.059 0.112 0.000 1.130 40 L HN 0.288 8.519 8.230 0.003 0.000 0.474 41 L N 7.519 128.764 121.223 0.036 0.000 2.356 41 L HA 0.064 4.407 4.340 0.005 0.000 0.193 41 L C -0.832 176.082 176.870 0.073 0.000 1.087 41 L CA 1.036 55.890 54.840 0.025 0.000 0.817 41 L CB 2.787 44.846 42.059 0.001 0.000 1.035 41 L HN 0.912 9.190 8.230 0.080 0.000 0.482 42 c N -6.644 112.019 118.600 0.104 0.000 3.316 42 c HA 0.299 4.949 4.570 0.133 0.000 0.360 42 c C -1.572 172.630 174.090 0.187 0.000 1.560 42 c CA -1.106 55.297 56.329 0.123 0.000 1.229 42 c CB 3.754 46.300 42.510 0.059 0.000 1.823 42 c HN -0.832 7.467 8.230 0.115 0.000 0.440 43 G N -1.839 107.073 108.800 0.187 0.000 2.552 43 G HA2 0.812 5.087 3.960 0.320 0.000 0.318 43 G HA3 0.812 4.896 3.960 0.207 0.000 0.318 43 G C -2.925 172.090 174.900 0.191 0.000 1.240 43 G CA -1.399 43.840 45.100 0.232 0.000 1.002 43 G HN 0.444 8.823 8.290 0.148 0.000 0.493 44 A N -3.392 119.552 122.820 0.207 0.000 2.483 44 A HA 0.911 5.610 4.320 0.177 -0.273 0.294 44 A C -2.393 175.322 177.584 0.217 0.000 1.077 44 A CA -0.280 51.874 52.037 0.194 0.000 0.633 44 A CB 2.562 21.673 19.000 0.185 0.000 1.318 44 A HN -0.448 7.837 8.150 0.225 0.000 0.455 45 S N -2.426 113.405 115.700 0.218 0.000 2.595 45 S HA 0.974 5.829 4.470 0.284 -0.215 0.281 45 S C -1.007 173.733 174.600 0.233 0.000 1.117 45 S CA -1.901 56.445 58.200 0.244 0.000 0.873 45 S CB 3.902 67.227 63.200 0.209 0.000 1.108 45 S HN 0.416 8.850 8.310 0.207 0.000 0.477 46 L N 3.171 124.547 121.223 0.255 0.000 2.265 46 L HA 0.449 4.924 4.340 0.224 0.000 0.289 46 L C -0.791 176.188 176.870 0.182 0.000 1.033 46 L CA -0.648 54.326 54.840 0.223 0.000 0.814 46 L CB 1.731 43.919 42.059 0.214 0.000 1.203 46 L HN 0.405 8.731 8.230 0.323 0.098 0.423 47 I N -0.537 120.144 120.570 0.184 0.000 4.181 47 I HA 0.532 4.882 4.170 0.071 -0.138 0.331 47 I C -0.857 175.355 176.117 0.158 0.000 1.312 47 I CA -0.821 60.557 61.300 0.130 0.000 1.146 47 I CB 1.745 39.820 38.000 0.124 0.000 1.074 47 I HN -0.020 8.329 8.210 0.232 0.000 0.402 48 S N -1.273 114.574 115.700 0.246 0.000 2.819 48 S HA 0.139 4.773 4.470 0.274 0.000 0.299 48 S C -1.435 173.398 174.600 0.387 0.000 1.192 48 S CA -1.560 56.829 58.200 0.315 0.000 0.847 48 S CB 2.056 65.504 63.200 0.414 0.000 1.224 48 S HN -0.948 7.522 8.310 0.267 0.000 0.537 49 D N -3.494 117.141 120.400 0.393 0.000 2.360 49 D HA 0.065 5.029 4.640 0.541 0.000 0.210 49 D C 0.349 176.736 176.300 0.144 0.000 1.047 49 D CA 1.133 55.325 54.000 0.321 0.000 0.854 49 D CB 0.303 41.102 40.800 -0.000 0.000 0.936 49 D HN 0.219 8.792 8.370 0.338 0.000 0.514 50 R N -2.751 117.821 120.500 0.121 0.000 2.531 50 R HA 0.276 4.554 4.340 -0.104 0.000 0.316 50 R C -2.019 174.086 176.300 -0.325 0.000 0.955 50 R CA 0.551 56.579 56.100 -0.120 0.000 1.120 50 R CB 2.266 32.436 30.300 -0.216 0.000 1.361 50 R HN -0.654 7.699 8.270 0.237 0.060 0.534 51 W N -2.507 118.860 121.300 0.113 0.000 2.702 51 W HA 0.769 5.678 4.660 0.112 -0.182 0.331 51 W C -1.376 175.216 176.519 0.122 0.000 1.049 51 W CA -1.044 56.366 57.345 0.108 0.000 1.230 51 W CB 2.970 32.480 29.460 0.082 0.000 1.408 51 W HN -0.759 7.613 8.180 0.320 0.000 0.492 52 V N 1.850 121.990 119.914 0.375 0.000 2.680 52 V HA 0.844 5.305 4.120 0.268 -0.181 0.309 52 V C -1.973 174.304 176.094 0.306 0.000 1.052 52 V CA -1.568 60.902 62.300 0.283 0.000 0.908 52 V CB 3.515 35.462 31.823 0.206 0.000 1.001 52 V HN 0.876 9.302 8.190 0.394 0.000 0.431 53 L N 6.478 127.854 121.223 0.256 0.000 2.322 53 L HA 0.863 5.513 4.340 0.275 -0.146 0.281 53 L C -1.726 175.268 176.870 0.207 0.000 1.014 53 L CA -1.367 53.619 54.840 0.243 0.000 0.815 53 L CB 3.281 45.471 42.059 0.217 0.000 1.247 53 L HN 0.381 8.753 8.230 0.236 0.000 0.421 54 T N 5.476 120.144 114.554 0.190 0.000 2.618 54 T HA 0.497 5.110 4.350 0.142 -0.178 0.293 54 T C -2.109 172.646 174.700 0.092 0.000 1.093 54 T CA -2.849 59.331 62.100 0.133 0.000 1.061 54 T CB 2.502 71.435 68.868 0.110 0.000 1.498 54 T HN 0.562 8.932 8.240 0.215 0.000 0.494 55 A N 0.031 122.855 122.820 0.007 0.000 2.292 55 A HA 0.528 5.027 4.320 0.005 -0.176 0.319 55 A C 0.289 177.764 177.584 -0.181 0.000 1.206 55 A CA -2.231 49.765 52.037 -0.067 0.000 0.835 55 A CB 1.460 20.372 19.000 -0.146 0.000 1.164 55 A HN 0.304 8.447 8.150 -0.010 0.000 0.505 56 A N 6.024 128.701 122.820 -0.238 0.000 2.024 56 A HA -0.337 3.835 4.320 -0.245 0.000 0.220 56 A C 0.683 178.027 177.584 -0.400 0.000 1.164 56 A CA 2.847 54.621 52.037 -0.437 0.000 0.643 56 A CB -0.549 17.873 19.000 -0.963 0.000 0.806 56 A HN 0.815 8.837 8.150 -0.188 0.015 0.451 57 H N -5.284 113.651 119.070 -0.224 0.000 2.555 57 H HA -0.024 4.835 4.556 0.132 -0.224 0.269 57 H C 0.456 175.807 175.328 0.038 0.000 0.988 57 H CA 1.215 57.287 56.048 0.040 0.000 1.178 57 H CB -1.038 28.834 29.762 0.183 0.000 1.373 57 H HN -0.177 8.219 8.280 -0.187 -0.229 0.588 58 c N -1.816 116.616 118.600 -0.281 0.000 2.468 58 c HA -0.185 4.337 4.570 -0.080 0.000 0.277 58 c C -0.336 173.725 174.090 -0.048 0.000 1.400 58 c CA 1.439 57.677 56.329 -0.152 0.000 1.770 58 c CB -0.799 41.612 42.510 -0.165 0.000 1.905 58 c HN -0.590 7.248 8.230 -0.384 0.161 0.519 59 L N -2.673 118.521 121.223 -0.049 0.000 2.331 59 L HA 0.255 4.585 4.340 -0.018 0.000 0.268 59 L C -0.142 176.723 176.870 -0.009 0.000 1.015 59 L CA -0.827 53.999 54.840 -0.022 0.000 0.807 59 L CB 1.497 43.545 42.059 -0.019 0.000 1.293 59 L HN -0.717 7.307 8.230 -0.086 0.155 0.451 60 T N 0.324 114.859 114.554 -0.032 0.000 2.948 60 T HA 0.341 4.666 4.350 -0.042 0.000 0.285 60 T C 1.094 175.774 174.700 -0.035 0.000 1.019 60 T CA -1.853 60.225 62.100 -0.037 0.000 1.013 60 T CB 1.717 70.563 68.868 -0.038 0.000 1.117 60 T HN 0.256 8.801 8.240 -0.032 -0.323 0.533 61 E N 4.215 124.389 120.200 -0.044 0.000 2.082 61 E HA -0.513 3.816 4.350 -0.035 0.000 0.215 61 E C 1.745 178.330 176.600 -0.024 0.000 1.048 61 E CA 3.554 59.931 56.400 -0.039 0.000 0.869 61 E CB -0.822 28.847 29.700 -0.052 0.000 0.773 61 E HN 0.765 9.092 8.360 -0.056 0.000 0.466 62 N N -3.435 115.249 118.700 -0.026 0.000 2.635 62 N HA -0.215 4.515 4.740 -0.015 0.000 0.191 62 N C -0.209 175.291 175.510 -0.017 0.000 1.155 62 N CA 1.913 54.952 53.050 -0.020 0.000 0.927 62 N CB -0.726 37.748 38.487 -0.022 0.000 0.976 62 N HN 0.173 8.534 8.380 -0.032 0.000 0.448 63 D N -2.855 117.533 120.400 -0.020 0.000 2.407 63 D HA 0.195 4.819 4.640 -0.027 0.000 0.208 63 D C -1.608 174.679 176.300 -0.021 0.000 1.083 63 D CA 0.656 54.641 54.000 -0.025 0.000 0.844 63 D CB 1.486 42.266 40.800 -0.034 0.000 0.967 63 D HN -0.049 8.109 8.370 -0.021 0.199 0.506 64 L N -2.200 119.021 121.223 -0.003 0.000 2.303 64 L HA 0.726 5.219 4.340 0.011 -0.147 0.266 64 L C -1.649 175.253 176.870 0.053 0.000 1.011 64 L CA -1.149 53.703 54.840 0.020 0.000 0.818 64 L CB 3.272 45.345 42.059 0.022 0.000 1.326 64 L HN -0.375 7.692 8.230 -0.005 0.160 0.435 65 L N -1.487 119.797 121.223 0.102 0.000 2.393 65 L HA 0.586 5.091 4.340 0.086 -0.114 0.260 65 L C -2.186 174.769 176.870 0.142 0.000 1.002 65 L CA -1.292 53.625 54.840 0.129 0.000 0.818 65 L CB 5.361 47.543 42.059 0.205 0.000 1.369 65 L HN 0.527 8.826 8.230 0.115 0.000 0.412 66 V N 2.723 122.701 119.914 0.106 0.000 2.495 66 V HA 0.579 4.955 4.120 0.130 -0.177 0.298 66 V C -1.655 174.487 176.094 0.081 0.000 1.031 66 V CA -1.368 60.996 62.300 0.107 0.000 0.871 66 V CB 3.180 35.059 31.823 0.094 0.000 0.988 66 V HN 0.454 8.695 8.190 0.084 0.000 0.432 67 R N 6.912 127.453 120.500 0.069 0.000 2.409 67 R HA 0.786 5.331 4.340 0.016 -0.195 0.313 67 R C -0.843 175.493 176.300 0.060 0.000 0.953 67 R CA -1.496 54.611 56.100 0.012 0.000 0.849 67 R CB 1.878 32.112 30.300 -0.111 0.000 1.171 67 R HN 0.585 8.913 8.270 0.097 0.000 0.458 68 I N 1.096 121.708 120.570 0.071 0.000 2.603 68 I HA 0.320 4.580 4.170 0.150 0.000 0.300 68 I C 0.143 176.314 176.117 0.090 0.000 1.017 68 I CA -1.888 59.480 61.300 0.113 0.000 1.098 68 I CB 2.662 40.740 38.000 0.131 0.000 1.279 68 I HN 0.661 8.903 8.210 0.053 0.000 0.437 69 G N 2.978 111.849 108.800 0.119 0.000 2.132 69 G HA2 -0.453 3.791 3.960 0.146 0.000 0.234 69 G HA3 -0.453 3.563 3.960 0.093 0.000 0.234 69 G C -1.041 173.894 174.900 0.058 0.000 0.989 69 G CA 0.097 45.261 45.100 0.106 0.000 0.676 69 G HN 0.510 8.886 8.290 0.143 0.000 0.522 70 K N -1.808 118.667 120.400 0.125 0.000 2.098 70 K HA 0.176 4.628 4.320 0.010 -0.126 0.257 70 K C -1.696 175.119 176.600 0.359 0.000 0.999 70 K CA -0.133 56.237 56.287 0.140 0.000 0.924 70 K CB 1.104 33.599 32.500 -0.007 0.000 1.028 70 K HN -0.440 7.883 8.250 0.181 0.035 0.466 71 H N 0.782 119.955 119.070 0.171 0.000 1.955 71 H HA 0.229 4.952 4.556 0.278 0.000 0.196 71 H C 0.228 175.742 175.328 0.311 0.000 0.891 71 H CA 0.944 57.122 56.048 0.216 0.000 1.001 71 H CB 3.422 33.203 29.762 0.031 0.000 1.195 71 H HN 0.264 9.093 8.280 0.156 -0.455 0.384 72 S N -0.295 115.440 115.700 0.059 0.000 2.580 72 S HA 0.155 4.767 4.470 -0.055 -0.175 0.274 72 S C 0.702 175.168 174.600 -0.223 0.000 1.329 72 S CA 0.055 58.222 58.200 -0.055 0.000 1.036 72 S CB 1.099 64.268 63.200 -0.051 0.000 0.919 72 S HN -0.236 8.604 8.310 0.100 -0.469 0.515 73 R N 6.093 126.439 120.500 -0.257 0.000 2.055 73 R HA -0.138 3.493 4.340 -1.181 0.000 0.226 73 R C 0.971 177.060 176.300 -0.352 0.000 1.135 73 R CA 2.891 58.670 56.100 -0.534 0.000 0.959 73 R CB 0.223 30.393 30.300 -0.218 0.000 0.854 73 R HN 0.879 8.985 8.270 -0.103 0.102 0.431 74 T N -5.293 109.155 114.554 -0.177 0.000 3.065 74 T HA 0.042 4.334 4.350 -0.097 0.000 0.252 74 T C 0.480 175.125 174.700 -0.092 0.000 1.099 74 T CA 0.218 62.255 62.100 -0.104 0.000 1.063 74 T CB 0.343 69.186 68.868 -0.042 0.000 0.948 74 T HN -0.145 8.017 8.240 -0.130 0.000 0.506 75 R N 1.005 121.443 120.500 -0.103 0.000 2.486 75 R HA 0.244 4.569 4.340 -0.026 0.000 0.286 75 R C -1.223 175.036 176.300 -0.068 0.000 0.999 75 R CA -1.900 54.163 56.100 -0.061 0.000 0.993 75 R CB 0.753 31.022 30.300 -0.051 0.000 1.084 75 R HN -0.796 7.398 8.270 -0.127 0.000 0.487 76 Y N 3.851 124.068 120.300 -0.138 0.000 2.421 76 Y HA 0.417 5.007 4.550 -0.196 -0.158 0.366 76 Y C 0.380 176.212 175.900 -0.113 0.000 1.360 76 Y CA -0.723 57.286 58.100 -0.150 0.000 1.663 76 Y CB 1.678 40.060 38.460 -0.130 0.000 1.677 76 Y HN 0.153 8.493 8.280 0.100 0.000 0.584 77 R N 0.688 120.867 120.500 -0.534 0.000 2.563 77 R HA 0.228 4.216 4.340 -0.587 0.000 0.262 77 R C -0.833 175.331 176.300 -0.226 0.000 1.128 77 R CA 0.750 56.625 56.100 -0.375 0.000 0.969 77 R CB 1.423 31.672 30.300 -0.084 0.000 1.251 77 R HN 0.289 8.330 8.270 -0.381 0.000 0.442 78 N N 1.135 119.736 118.700 -0.164 0.000 2.936 78 N HA -0.359 4.353 4.740 -0.047 0.000 0.236 78 N C -1.090 174.362 175.510 -0.096 0.000 0.930 78 N CA 1.666 54.665 53.050 -0.086 0.000 0.966 78 N CB -0.259 38.197 38.487 -0.051 0.000 1.090 78 N HN 0.653 8.937 8.380 -0.159 0.000 0.592 79 I N -2.798 117.663 120.570 -0.182 0.000 3.366 79 I HA -0.078 4.031 4.170 -0.101 0.000 0.267 79 I C -0.795 175.241 176.117 -0.135 0.000 1.149 79 I CA 0.254 61.438 61.300 -0.194 0.000 1.436 79 I CB 1.902 39.682 38.000 -0.367 0.000 1.379 79 I HN -0.346 7.617 8.210 -0.259 0.091 0.460 80 E N 1.056 121.135 120.200 -0.202 0.000 2.314 80 E HA 0.341 4.795 4.350 -0.049 -0.133 0.262 80 E C -0.654 175.899 176.600 -0.078 0.000 1.093 80 E CA -0.839 55.486 56.400 -0.126 0.000 0.908 80 E CB 1.727 31.318 29.700 -0.182 0.000 1.091 80 E HN -0.521 7.658 8.360 -0.303 0.000 0.425 81 K N -0.543 119.853 120.400 -0.007 0.000 2.318 81 K HA 0.404 4.743 4.320 0.032 0.000 0.249 81 K C -1.654 174.970 176.600 0.041 0.000 0.942 81 K CA -1.553 54.753 56.287 0.031 0.000 0.808 81 K CB 3.735 36.267 32.500 0.054 0.000 1.189 81 K HN 0.422 8.678 8.250 0.010 0.000 0.428 82 I N 3.085 123.688 120.570 0.056 0.000 2.418 82 I HA 0.829 5.238 4.170 0.042 -0.213 0.287 82 I C -0.259 175.885 176.117 0.045 0.000 1.008 82 I CA -1.054 60.277 61.300 0.051 0.000 1.104 82 I CB 2.056 40.095 38.000 0.065 0.000 1.264 82 I HN 0.347 8.595 8.210 0.063 0.000 0.438 83 S N 7.171 122.898 115.700 0.045 0.000 2.607 83 S HA 0.449 4.933 4.470 0.024 0.000 0.303 83 S C -1.628 172.989 174.600 0.029 0.000 1.086 83 S CA -1.026 57.193 58.200 0.031 0.000 0.995 83 S CB 2.573 65.792 63.200 0.030 0.000 1.084 83 S HN 0.652 8.994 8.310 0.052 0.000 0.507 84 M N 0.164 119.771 119.600 0.012 0.000 2.654 84 M HA 0.159 4.651 4.480 0.019 0.000 0.310 84 M C -0.809 175.485 176.300 -0.010 0.000 1.211 84 M CA -0.681 54.622 55.300 0.007 0.000 0.947 84 M CB 2.138 34.737 32.600 -0.002 0.000 1.647 84 M HN 0.171 8.463 8.290 0.003 0.000 0.481 85 L N -1.139 120.075 121.223 -0.015 0.000 2.360 85 L HA 0.231 4.661 4.340 -0.047 -0.118 0.271 85 L C -0.979 175.858 176.870 -0.055 0.000 1.057 85 L CA -0.328 54.490 54.840 -0.037 0.000 0.803 85 L CB 1.036 43.078 42.059 -0.027 0.000 1.207 85 L HN 0.612 8.838 8.230 -0.008 0.000 0.445 86 E N 0.648 120.800 120.200 -0.081 0.000 2.192 86 E HA -0.002 4.309 4.350 -0.065 0.000 0.196 86 E C 0.022 176.560 176.600 -0.104 0.000 0.922 86 E CA 0.922 57.272 56.400 -0.083 0.000 0.924 86 E CB 2.107 31.748 29.700 -0.098 0.000 0.911 86 E HN 0.730 8.935 8.360 -0.096 0.097 0.478 87 K N -3.568 116.754 120.400 -0.130 0.000 2.512 87 K HA 0.322 4.575 4.320 -0.252 -0.084 0.263 87 K C -2.259 174.179 176.600 -0.271 0.000 0.966 87 K CA -2.261 53.873 56.287 -0.255 0.000 0.851 87 K CB 4.042 36.347 32.500 -0.325 0.000 1.395 87 K HN -0.600 7.578 8.250 -0.120 0.000 0.440 88 I N 0.065 120.379 120.570 -0.427 0.000 2.545 88 I HA 0.562 4.906 4.170 0.012 -0.167 0.292 88 I C -0.887 174.983 176.117 -0.413 0.000 1.040 88 I CA -1.341 59.838 61.300 -0.202 0.000 1.068 88 I CB 3.417 41.367 38.000 -0.084 0.000 1.251 88 I HN 0.219 8.117 8.210 -0.519 0.000 0.424 89 Y N 4.820 125.227 120.300 0.179 0.000 2.373 89 Y HA 0.174 4.825 4.550 0.168 0.000 0.336 89 Y C -1.741 174.376 175.900 0.362 0.000 0.979 89 Y CA -0.827 57.419 58.100 0.244 0.000 1.080 89 Y CB 2.805 41.418 38.460 0.256 0.000 1.190 89 Y HN 0.800 9.299 8.280 0.364 0.000 0.446 90 I N 1.817 122.632 120.570 0.408 0.000 2.525 90 I HA 0.214 4.508 4.170 0.207 0.000 0.301 90 I C -0.709 175.501 176.117 0.155 0.000 0.992 90 I CA -2.186 59.258 61.300 0.241 0.000 1.162 90 I CB 2.040 40.138 38.000 0.163 0.000 1.332 90 I HN 0.350 8.769 8.210 0.348 0.000 0.458 91 H N 6.625 125.504 119.070 -0.318 0.000 2.964 91 H HA 0.038 3.808 4.556 -1.311 0.000 0.328 91 H C 0.316 175.546 175.328 -0.162 0.000 1.030 91 H CA 0.619 56.226 56.048 -0.735 0.000 1.445 91 H CB 1.505 30.794 29.762 -0.788 0.000 1.449 91 H HN -0.313 7.874 8.280 -0.155 0.000 0.581 92 P HA -0.086 4.438 4.420 0.173 0.000 0.219 92 P C 0.022 177.459 177.300 0.229 0.000 1.146 92 P CA 1.498 64.690 63.100 0.153 0.000 0.808 92 P CB 0.331 32.092 31.700 0.101 0.000 0.779 93 R N -3.656 117.079 120.500 0.392 0.000 2.633 93 R HA 0.239 4.625 4.340 0.077 0.000 0.348 93 R C -1.080 175.239 176.300 0.030 0.000 1.100 93 R CA -1.280 54.895 56.100 0.126 0.000 1.068 93 R CB 0.183 30.509 30.300 0.044 0.000 1.351 93 R HN -0.145 8.709 8.270 1.046 0.044 0.575 94 Y N 3.925 124.227 120.300 0.004 0.000 2.632 94 Y HA -0.095 4.673 4.550 -0.098 -0.277 0.329 94 Y C -0.844 175.055 175.900 -0.001 0.000 1.174 94 Y CA -1.141 56.956 58.100 -0.006 0.000 1.469 94 Y CB 0.247 38.766 38.460 0.099 0.000 1.242 94 Y HN -0.527 7.863 8.280 0.314 0.078 0.540 95 N N 9.171 127.730 118.700 -0.234 0.000 2.949 95 N HA 0.177 4.589 4.740 -0.546 0.000 0.243 95 N C -1.019 174.176 175.510 -0.525 0.000 1.113 95 N CA -2.255 50.535 53.050 -0.433 0.000 0.980 95 N CB -0.474 37.861 38.487 -0.254 0.000 1.256 95 N HN 0.446 8.838 8.380 0.021 0.000 0.508 96 W N 3.034 123.884 121.300 -0.749 0.000 2.564 96 W HA 0.095 4.516 4.660 -0.400 0.000 0.447 96 W C -0.655 175.691 176.519 -0.289 0.000 0.701 96 W CA -2.366 54.661 57.345 -0.531 0.000 2.223 96 W CB -2.490 26.656 29.460 -0.524 0.000 0.990 96 W HN 0.000 7.508 8.180 -1.120 0.000 0.698 97 E N 2.791 122.799 120.200 -0.321 0.000 2.119 97 E HA -0.498 3.718 4.350 -0.223 0.000 0.221 97 E C -0.400 176.041 176.600 -0.265 0.000 1.062 97 E CA 3.241 59.491 56.400 -0.250 0.000 0.894 97 E CB 0.035 29.598 29.700 -0.228 0.000 0.785 97 E HN -0.213 8.235 8.360 -0.381 -0.317 0.472 98 N N -4.790 113.755 118.700 -0.258 0.000 2.240 98 N HA 0.074 4.522 4.740 -0.486 0.000 0.240 98 N C -0.635 174.724 175.510 -0.251 0.000 1.277 98 N CA -0.900 51.954 53.050 -0.328 0.000 0.873 98 N CB 0.657 38.998 38.487 -0.243 0.000 1.222 98 N HN -0.332 7.910 8.380 -0.230 0.000 0.507 99 L N -3.477 117.667 121.223 -0.132 0.000 3.608 99 L HA -0.484 4.059 4.340 0.196 -0.085 0.422 99 L C -1.985 174.988 176.870 0.171 0.000 1.260 99 L CA 0.777 55.678 54.840 0.101 0.000 0.889 99 L CB -2.825 39.312 42.059 0.130 0.000 1.821 99 L HN 0.233 8.361 8.230 -0.169 0.000 0.884 100 D N -1.326 119.114 120.400 0.066 0.000 2.308 100 D HA -0.056 4.650 4.640 0.110 0.000 0.251 100 D C 0.027 176.364 176.300 0.062 0.000 1.127 100 D CA 0.447 54.483 54.000 0.059 0.000 0.876 100 D CB 1.391 42.179 40.800 -0.020 0.000 1.176 100 D HN -0.722 7.716 8.370 -0.026 -0.084 0.446 101 R N -0.921 119.595 120.500 0.027 0.000 3.246 101 R HA -0.426 3.852 4.340 -0.102 0.000 0.260 101 R C -1.583 174.740 176.300 0.039 0.000 1.034 101 R CA 0.836 56.874 56.100 -0.103 0.000 0.691 101 R CB -1.616 28.419 30.300 -0.440 0.000 1.186 101 R HN 0.535 8.839 8.270 0.057 0.000 0.416 102 D N -1.092 119.384 120.400 0.126 0.000 2.558 102 D HA 0.046 4.676 4.640 -0.017 0.000 0.221 102 D C -1.914 174.397 176.300 0.017 0.000 1.143 102 D CA -0.268 53.792 54.000 0.100 0.000 1.010 102 D CB -0.490 40.472 40.800 0.269 0.000 1.068 102 D HN -0.010 8.444 8.370 0.141 0.000 0.511 103 I N 2.420 122.954 120.570 -0.060 0.000 2.802 103 I HA 0.776 5.179 4.170 0.081 -0.184 0.298 103 I C -3.146 172.992 176.117 0.035 0.000 1.176 103 I CA -1.929 59.394 61.300 0.037 0.000 1.025 103 I CB 4.294 42.360 38.000 0.111 0.000 1.243 103 I HN -0.448 7.651 8.210 -0.135 0.030 0.424 104 A N 4.760 127.699 122.820 0.199 0.000 2.594 104 A HA 0.886 5.598 4.320 0.456 -0.118 0.295 104 A C -2.765 175.069 177.584 0.418 0.000 1.071 104 A CA -1.282 50.946 52.037 0.318 0.000 0.685 104 A CB 3.851 22.944 19.000 0.156 0.000 1.285 104 A HN 0.261 8.540 8.150 0.215 0.000 0.405 105 L N -0.162 121.371 121.223 0.518 0.000 2.362 105 L HA 0.900 5.663 4.340 0.417 -0.173 0.271 105 L C -1.277 175.914 176.870 0.534 0.000 1.002 105 L CA -1.679 53.455 54.840 0.491 0.000 0.818 105 L CB 4.445 46.732 42.059 0.381 0.000 1.298 105 L HN 0.718 9.316 8.230 0.613 0.000 0.420 106 M N 0.098 119.979 119.600 0.469 0.000 2.326 106 M HA 0.654 5.451 4.480 0.253 -0.165 0.306 106 M C -1.678 174.698 176.300 0.127 0.000 1.054 106 M CA -1.097 54.365 55.300 0.271 0.000 0.922 106 M CB 3.491 36.187 32.600 0.160 0.000 1.632 106 M HN 0.835 9.415 8.290 0.484 0.000 0.436 107 K N 4.011 124.345 120.400 -0.110 0.000 2.185 107 K HA 0.687 4.514 4.320 -1.096 -0.165 0.269 107 K C -1.370 175.042 176.600 -0.313 0.000 0.987 107 K CA -1.629 54.279 56.287 -0.631 0.000 0.865 107 K CB 3.010 35.113 32.500 -0.662 0.000 1.090 107 K HN 0.839 8.983 8.250 0.003 0.108 0.450 108 L N 5.408 126.446 121.223 -0.309 0.000 2.399 108 L HA 0.129 4.530 4.340 -0.097 -0.119 0.266 108 L C 0.192 176.979 176.870 -0.137 0.000 1.114 108 L CA 0.079 54.830 54.840 -0.148 0.000 0.804 108 L CB 0.399 42.404 42.059 -0.090 0.000 1.146 108 L HN 0.400 8.366 8.230 -0.441 0.000 0.451 109 K N 0.084 120.435 120.400 -0.081 0.000 2.009 109 K HA -0.272 4.007 4.320 -0.069 0.000 0.210 109 K C 0.389 176.954 176.600 -0.060 0.000 1.049 109 K CA 1.972 58.221 56.287 -0.063 0.000 0.929 109 K CB 0.705 33.182 32.500 -0.038 0.000 0.714 109 K HN 0.530 8.648 8.250 -0.060 0.096 0.440 110 K N -3.514 116.857 120.400 -0.050 0.000 2.328 110 K HA 0.349 4.641 4.320 -0.047 0.000 0.246 110 K C -3.013 173.558 176.600 -0.048 0.000 0.955 110 K CA -2.694 53.567 56.287 -0.044 0.000 0.817 110 K CB 0.967 33.450 32.500 -0.029 0.000 1.208 110 K HN -0.077 8.148 8.250 -0.042 0.000 0.432 111 P HA 0.058 4.631 4.420 -0.043 -0.178 0.269 111 P C -1.077 176.195 177.300 -0.047 0.000 1.215 111 P CA -0.421 62.648 63.100 -0.053 0.000 0.780 111 P CB 0.446 32.103 31.700 -0.071 0.000 0.898 112 V N 1.816 121.712 119.914 -0.030 0.000 2.850 112 V HA 0.126 4.240 4.120 -0.010 0.000 0.315 112 V C -1.361 174.656 176.094 -0.129 0.000 1.064 112 V CA -2.473 59.823 62.300 -0.006 0.000 0.979 112 V CB 2.439 34.323 31.823 0.101 0.000 1.039 112 V HN -0.041 8.041 8.190 -0.006 0.104 0.452 113 A N 5.886 128.651 122.820 -0.091 0.000 2.312 113 A HA 0.333 4.385 4.320 -0.446 0.000 0.326 113 A C -1.265 176.314 177.584 -0.008 0.000 1.172 113 A CA -0.738 51.181 52.037 -0.197 0.000 0.821 113 A CB 1.427 20.375 19.000 -0.087 0.000 1.166 113 A HN 0.052 8.195 8.150 -0.013 0.000 0.493 114 F N -0.644 119.280 119.950 -0.044 0.000 2.378 114 F HA 0.251 4.842 4.527 -0.036 -0.086 0.319 114 F C 0.118 175.952 175.800 0.057 0.000 1.155 114 F CA -2.391 55.562 58.000 -0.079 0.000 1.157 114 F CB 0.908 39.639 39.000 -0.449 0.000 1.252 114 F HN -0.028 7.994 8.300 -0.464 0.000 0.550 115 S N -1.417 114.511 115.700 0.379 0.000 2.800 115 S HA 0.250 4.828 4.470 0.179 0.000 0.293 115 S C -0.948 173.715 174.600 0.105 0.000 1.209 115 S CA -0.949 57.377 58.200 0.210 0.000 0.884 115 S CB 2.540 65.842 63.200 0.170 0.000 1.244 115 S HN 0.476 8.969 8.310 0.484 0.108 0.540 116 D N -0.950 119.310 120.400 -0.233 0.000 2.312 116 D HA -0.093 4.302 4.640 -0.409 0.000 0.211 116 D C 0.481 176.411 176.300 -0.618 0.000 0.964 116 D CA 2.620 56.297 54.000 -0.538 0.000 0.877 116 D CB -0.230 40.077 40.800 -0.821 0.000 0.924 116 D HN 0.494 8.722 8.370 -0.238 0.000 0.515 117 Y N -4.471 115.827 120.300 -0.002 0.000 2.442 117 Y HA 0.058 4.547 4.550 -0.101 0.000 0.250 117 Y C -0.526 175.374 175.900 -0.000 0.000 1.113 117 Y CA -0.338 57.740 58.100 -0.037 0.000 1.273 117 Y CB 1.578 40.021 38.460 -0.028 0.000 1.138 117 Y HN -0.570 7.540 8.280 -0.203 0.049 0.522 118 I N -0.816 119.878 120.570 0.207 0.000 2.420 118 I HA 0.324 4.758 4.170 0.133 -0.184 0.282 118 I C -1.529 174.703 176.117 0.192 0.000 1.019 118 I CA -0.881 60.537 61.300 0.198 0.000 1.130 118 I CB 0.798 38.945 38.000 0.244 0.000 1.262 118 I HN -0.675 7.553 8.210 0.217 0.113 0.454 119 H N 8.198 127.183 119.070 -0.141 0.000 3.029 119 H HA 0.344 4.416 4.556 -0.807 0.000 0.358 119 H C -2.956 172.271 175.328 -0.167 0.000 1.129 119 H CA -1.412 54.427 56.048 -0.348 0.000 1.230 119 H CB 3.777 33.437 29.762 -0.171 0.000 1.827 119 H HN -0.030 8.166 8.280 0.055 0.116 0.530 120 P HA 0.064 4.709 4.420 0.096 -0.167 0.274 120 P C -1.585 175.769 177.300 0.090 0.000 1.237 120 P CA -0.767 62.310 63.100 -0.039 0.000 0.793 120 P CB 1.506 33.109 31.700 -0.162 0.000 0.977 121 V N -0.771 119.120 119.914 -0.039 0.000 2.834 121 V HA 0.126 3.911 4.120 -0.558 0.000 0.313 121 V C -0.357 175.576 176.094 -0.269 0.000 1.060 121 V CA -1.767 60.273 62.300 -0.432 0.000 0.989 121 V CB 2.934 34.231 31.823 -0.877 0.000 1.041 121 V HN 0.138 8.339 8.190 0.017 0.000 0.459 122 C N 5.738 124.822 119.300 -0.359 0.000 2.405 122 C HA 0.186 4.564 4.460 -0.137 0.000 0.365 122 C C -0.836 174.123 174.990 -0.051 0.000 1.233 122 C CA 0.158 59.021 59.018 -0.258 0.000 2.230 122 C CB 0.138 27.514 27.740 -0.607 0.000 2.443 122 C HN -0.100 7.824 8.230 -0.509 0.000 0.556 123 L N 1.827 123.108 121.223 0.097 0.000 2.343 123 L HA 0.468 4.923 4.340 0.191 0.000 0.275 123 L C -0.795 176.278 176.870 0.339 0.000 1.056 123 L CA -2.208 52.751 54.840 0.198 0.000 0.804 123 L CB 0.780 42.928 42.059 0.148 0.000 1.203 123 L HN 0.327 8.598 8.230 0.069 0.000 0.440 124 P HA 0.130 4.566 4.420 0.027 0.000 0.278 124 P C -2.286 175.082 177.300 0.113 0.000 1.258 124 P CA -0.875 62.294 63.100 0.115 0.000 0.811 124 P CB 0.747 32.446 31.700 -0.002 0.000 1.063 125 D N -2.709 117.613 120.400 -0.131 0.000 2.350 125 D HA 0.187 4.924 4.640 0.161 0.000 0.238 125 D C 1.012 176.975 176.300 -0.562 0.000 0.989 125 D CA -2.354 51.580 54.000 -0.110 0.000 0.921 125 D CB 2.557 43.328 40.800 -0.049 0.000 1.297 125 D HN -0.332 7.853 8.370 -0.308 0.000 0.490 126 R N -0.083 120.039 120.500 -0.631 0.000 2.159 126 R HA -0.498 2.830 4.340 -1.686 0.000 0.252 126 R C 1.859 177.861 176.300 -0.495 0.000 1.144 126 R CA 4.322 59.948 56.100 -0.791 0.000 0.961 126 R CB 0.024 30.227 30.300 -0.162 0.000 0.877 126 R HN 0.445 8.628 8.270 -0.145 0.000 0.444 127 E N -3.490 116.526 120.200 -0.308 0.000 2.051 127 E HA -0.190 4.041 4.350 -0.199 0.000 0.192 127 E C 0.335 176.766 176.600 -0.283 0.000 0.991 127 E CA 2.212 58.471 56.400 -0.235 0.000 0.799 127 E CB -0.264 29.340 29.700 -0.160 0.000 0.748 127 E HN -0.278 7.987 8.360 -0.246 -0.052 0.449 128 T N 1.083 115.423 114.554 -0.357 0.000 2.793 128 T HA -0.237 3.910 4.350 -0.338 0.000 0.289 128 T C 0.282 174.752 174.700 -0.382 0.000 0.956 128 T CA 2.967 64.816 62.100 -0.418 0.000 1.177 128 T CB -0.671 67.780 68.868 -0.694 0.000 0.897 128 T HN -0.347 8.021 8.240 -0.361 -0.345 0.533 129 L N 0.863 122.036 121.223 -0.083 0.000 2.346 129 L HA -0.398 4.111 4.340 0.283 0.000 0.468 129 L C -0.335 176.478 176.870 -0.095 0.000 0.714 129 L CA 1.699 56.554 54.840 0.025 0.000 3.079 129 L CB -1.819 40.213 42.059 -0.046 0.000 0.758 129 L HN 0.881 9.018 8.230 -0.156 0.000 0.731 130 L N -0.137 120.950 121.223 -0.225 0.000 2.376 130 L HA -0.056 4.083 4.340 -0.334 0.000 0.250 130 L C -1.211 175.435 176.870 -0.373 0.000 1.335 130 L CA 0.054 54.697 54.840 -0.329 0.000 1.214 130 L CB -1.981 39.855 42.059 -0.372 0.000 1.395 130 L HN -0.006 8.095 8.230 -0.216 0.000 0.424 131 Q N 0.501 119.983 119.800 -0.531 0.000 2.375 131 Q HA 0.245 4.334 4.340 -0.418 0.000 0.271 131 Q C -1.185 174.519 176.000 -0.494 0.000 1.074 131 Q CA -1.987 53.436 55.803 -0.634 0.000 0.808 131 Q CB 4.137 32.236 28.738 -1.065 0.000 1.327 131 Q HN -0.147 7.747 8.270 -0.538 0.053 0.441 132 A N 2.817 125.456 122.820 -0.302 0.000 2.540 132 A HA -0.435 3.840 4.320 -0.147 -0.042 0.239 132 A C 0.516 178.045 177.584 -0.092 0.000 1.061 132 A CA 1.261 53.197 52.037 -0.167 0.000 0.758 132 A CB -0.332 18.591 19.000 -0.128 0.000 0.991 132 A HN 0.523 8.507 8.150 -0.277 0.000 0.502 133 G N 3.355 112.155 108.800 0.000 0.000 2.284 133 G HA2 -0.334 3.666 3.960 0.066 0.000 0.216 133 G HA3 -0.334 3.705 3.960 0.131 0.000 0.216 133 G C -0.791 174.248 174.900 0.233 0.000 1.009 133 G CA -0.269 44.895 45.100 0.106 0.000 0.625 133 G HN 0.507 8.674 8.290 -0.025 0.108 0.501 134 Y N 2.318 122.589 120.300 -0.049 0.000 2.359 134 Y HA -0.066 4.460 4.550 -0.039 0.000 0.330 134 Y C -0.535 175.350 175.900 -0.024 0.000 1.143 134 Y CA -1.057 57.017 58.100 -0.045 0.000 1.318 134 Y CB 0.511 38.931 38.460 -0.068 0.000 1.234 134 Y HN -0.337 7.985 8.280 0.220 0.090 0.522 135 K N 1.315 121.770 120.400 0.093 0.000 2.110 135 K HA 0.498 5.057 4.320 0.079 -0.192 0.263 135 K C -0.314 176.283 176.600 -0.005 0.000 0.975 135 K CA -0.949 55.367 56.287 0.049 0.000 0.895 135 K CB 2.641 35.151 32.500 0.017 0.000 1.060 135 K HN 0.106 8.367 8.250 0.018 0.000 0.448 136 G N -0.811 107.934 108.800 -0.092 0.000 2.816 136 G HA2 0.683 4.502 3.960 -0.364 0.000 0.288 136 G HA3 0.683 3.828 3.960 -1.358 0.000 0.288 136 G C -2.771 171.817 174.900 -0.521 0.000 1.334 136 G CA -1.407 43.348 45.100 -0.575 0.000 0.978 136 G HN 0.370 8.659 8.290 -0.001 0.000 0.493 137 R N -0.791 119.349 120.500 -0.599 0.000 2.621 137 R HA 0.918 5.350 4.340 -0.157 -0.186 0.292 137 R C -1.988 174.163 176.300 -0.248 0.000 0.969 137 R CA -1.331 54.618 56.100 -0.251 0.000 0.887 137 R CB 4.132 34.409 30.300 -0.038 0.000 1.180 137 R HN 0.318 8.123 8.270 -0.776 0.000 0.450 138 V N 6.348 126.221 119.914 -0.069 0.000 2.769 138 V HA 1.028 5.408 4.120 0.063 -0.223 0.312 138 V C -1.129 174.975 176.094 0.017 0.000 1.061 138 V CA -2.167 60.164 62.300 0.052 0.000 0.931 138 V CB 3.573 35.519 31.823 0.205 0.000 1.010 138 V HN 0.738 8.909 8.190 -0.033 0.000 0.433 139 T N 0.486 115.044 114.554 0.007 0.000 2.896 139 T HA 0.862 5.311 4.350 -0.108 -0.164 0.297 139 T C -1.106 173.510 174.700 -0.141 0.000 1.108 139 T CA -2.367 59.671 62.100 -0.103 0.000 1.004 139 T CB 3.502 72.267 68.868 -0.173 0.000 1.159 139 T HN -0.230 8.044 8.240 0.056 0.000 0.499 140 G N 0.040 108.669 108.800 -0.285 0.000 2.325 140 G HA2 0.194 3.867 3.960 -0.479 0.000 0.297 140 G HA3 0.194 4.274 3.960 -0.079 -0.167 0.297 140 G C -2.058 172.660 174.900 -0.304 0.000 1.448 140 G CA 0.617 45.539 45.100 -0.297 0.000 0.838 140 G HN -0.184 7.910 8.290 -0.326 0.000 0.579 141 W N 1.095 122.416 121.300 0.036 0.000 2.937 141 W HA 0.388 5.050 4.660 0.002 0.000 0.435 141 W C -0.411 176.130 176.519 0.037 0.000 0.912 141 W CA -1.193 56.164 57.345 0.021 0.000 2.209 141 W CB -0.440 29.031 29.460 0.019 0.000 1.144 141 W HN 0.559 8.861 8.180 0.204 0.000 0.762 142 G N 0.469 109.383 108.800 0.189 0.000 2.588 142 G HA2 0.048 4.116 3.960 0.163 0.000 0.281 142 G HA3 0.048 4.218 3.960 0.129 -0.132 0.281 142 G C -0.713 174.255 174.900 0.113 0.000 1.236 142 G CA -0.954 44.235 45.100 0.148 0.000 0.969 142 G HN -0.576 7.865 8.290 0.126 -0.075 0.504 143 N N -0.692 118.066 118.700 0.096 0.000 2.292 143 N HA -0.293 4.637 4.740 0.075 -0.145 0.242 143 N C 0.430 175.980 175.510 0.067 0.000 1.243 143 N CA 1.102 54.198 53.050 0.076 0.000 0.851 143 N CB -0.079 38.448 38.487 0.067 0.000 1.093 143 N HN 0.107 8.546 8.380 0.099 0.000 0.450 144 L N -0.120 121.137 121.223 0.058 0.000 2.513 144 L HA 0.139 4.776 4.340 0.050 -0.267 0.222 144 L C 0.464 177.360 176.870 0.044 0.000 1.096 144 L CA 0.523 55.392 54.840 0.049 0.000 0.857 144 L CB 0.986 43.071 42.059 0.043 0.000 1.026 144 L HN 0.447 8.710 8.230 0.056 0.000 0.469 145 K N -4.052 116.374 120.400 0.043 0.000 2.512 145 K HA 0.169 4.512 4.320 0.037 0.000 0.263 145 K C -0.889 175.735 176.600 0.040 0.000 0.966 145 K CA -0.867 55.443 56.287 0.038 0.000 0.851 145 K CB 2.517 35.036 32.500 0.032 0.000 1.395 145 K HN -0.628 7.608 8.250 0.046 0.041 0.440 146 E N 0.666 120.888 120.200 0.037 0.000 2.051 146 E HA -0.255 4.121 4.350 0.043 0.000 0.192 146 E C 0.045 176.666 176.600 0.035 0.000 0.991 146 E CA 2.223 58.646 56.400 0.037 0.000 0.799 146 E CB 0.535 30.255 29.700 0.033 0.000 0.748 146 E HN 0.402 8.782 8.360 0.033 0.000 0.449 151 Q N 0.528 120.361 119.800 0.054 0.000 2.257 151 Q HA 0.468 4.858 4.340 0.083 0.000 0.262 151 Q C -1.952 174.091 176.000 0.072 0.000 0.997 151 Q CA -2.602 53.245 55.803 0.074 0.000 0.873 151 Q CB 0.901 29.683 28.738 0.073 0.000 1.312 151 Q HN -0.236 8.062 8.270 0.047 0.000 0.450 152 P HA 0.297 4.752 4.420 0.057 0.000 0.283 152 P C -0.186 177.165 177.300 0.085 0.000 1.278 152 P CA -1.459 61.690 63.100 0.081 0.000 0.834 152 P CB 1.975 33.724 31.700 0.083 0.000 1.150 153 S N -1.420 114.313 115.700 0.056 0.000 2.439 153 S HA 0.003 4.491 4.470 0.029 0.000 0.224 153 S C 0.025 174.647 174.600 0.038 0.000 1.029 153 S CA 2.491 60.712 58.200 0.035 0.000 0.946 153 S CB 0.510 63.721 63.200 0.018 0.000 0.797 153 S HN 0.503 8.839 8.310 0.043 0.000 0.504 154 V N -3.286 116.643 119.914 0.025 0.000 3.181 154 V HA 0.826 5.108 4.120 -0.011 -0.169 0.314 154 V C -1.009 175.093 176.094 0.013 0.000 1.173 154 V CA -2.661 59.589 62.300 -0.083 0.000 1.052 154 V CB 2.736 34.313 31.823 -0.409 0.000 1.123 154 V HN -0.900 7.304 8.190 0.023 0.000 0.454 155 L N -0.278 120.839 121.223 -0.177 0.000 2.490 155 L HA -0.059 3.687 4.340 -0.991 0.000 0.274 155 L C -0.933 175.763 176.870 -0.291 0.000 1.201 155 L CA 0.918 55.439 54.840 -0.532 0.000 0.869 155 L CB 0.782 42.499 42.059 -0.569 0.000 1.123 155 L HN -0.266 7.758 8.230 -0.342 0.000 0.484 156 Q N 3.860 123.492 119.800 -0.281 0.000 2.297 156 Q HA 0.952 5.429 4.340 -0.092 -0.192 0.268 156 Q C -1.263 174.658 176.000 -0.131 0.000 1.045 156 Q CA -1.975 53.749 55.803 -0.132 0.000 0.861 156 Q CB 3.619 32.318 28.738 -0.065 0.000 1.344 156 Q HN 0.113 8.143 8.270 -0.399 0.000 0.452 157 V N 0.537 120.409 119.914 -0.070 0.000 2.971 157 V HA 0.909 5.191 4.120 -0.064 -0.200 0.309 157 V C -2.795 173.299 176.094 -0.001 0.000 1.130 157 V CA -2.527 59.742 62.300 -0.052 0.000 0.964 157 V CB 4.363 36.145 31.823 -0.069 0.000 1.029 157 V HN 0.771 8.834 8.190 -0.044 0.100 0.427 158 V N 4.791 124.718 119.914 0.021 0.000 2.969 158 V HA 0.288 4.448 4.120 0.066 0.000 0.304 158 V C -2.936 173.196 176.094 0.065 0.000 1.192 158 V CA -1.496 60.843 62.300 0.065 0.000 0.962 158 V CB 4.480 36.360 31.823 0.096 0.000 1.045 158 V HN 0.236 8.431 8.190 0.008 0.000 0.428 159 N N 6.884 125.640 118.700 0.094 0.000 2.408 159 N HA 0.674 5.594 4.740 0.005 -0.177 0.280 159 N C -1.079 174.492 175.510 0.101 0.000 1.002 159 N CA -0.697 52.394 53.050 0.069 0.000 0.907 159 N CB 1.451 39.986 38.487 0.081 0.000 1.161 159 N HN 0.270 8.723 8.380 0.123 0.000 0.488 160 L N 2.379 123.619 121.223 0.027 0.000 2.381 160 L HA 0.597 4.721 4.340 -0.361 0.000 0.268 160 L C -2.669 174.152 176.870 -0.083 0.000 0.997 160 L CA -3.076 51.699 54.840 -0.108 0.000 0.818 160 L CB 3.241 45.320 42.059 0.033 0.000 1.310 160 L HN 0.584 8.817 8.230 0.006 0.000 0.416 161 P HA 0.285 4.894 4.420 0.008 -0.185 0.277 161 P C -0.864 176.413 177.300 -0.038 0.000 1.240 161 P CA -1.083 61.959 63.100 -0.096 0.000 0.798 161 P CB 0.796 32.409 31.700 -0.144 0.000 0.979 162 I N 0.328 120.901 120.570 0.005 0.000 2.581 162 I HA -0.053 4.090 4.170 -0.046 0.000 0.288 162 I C -0.043 176.008 176.117 -0.110 0.000 1.047 162 I CA 0.410 61.678 61.300 -0.054 0.000 1.374 162 I CB 1.232 39.170 38.000 -0.103 0.000 1.423 162 I HN 0.333 8.569 8.210 0.043 0.000 0.549 163 V N 5.462 125.276 119.914 -0.167 0.000 2.667 163 V HA 0.206 4.217 4.120 -0.181 0.000 0.308 163 V C -0.626 175.352 176.094 -0.195 0.000 1.048 163 V CA -1.489 60.671 62.300 -0.233 0.000 0.928 163 V CB 2.863 34.403 31.823 -0.472 0.000 1.004 163 V HN -0.136 7.957 8.190 -0.161 0.000 0.444 164 E N 4.366 124.467 120.200 -0.165 0.000 2.415 164 E HA -0.131 4.157 4.350 -0.103 0.000 0.263 164 E C 0.886 177.423 176.600 -0.106 0.000 0.995 164 E CA 0.812 57.143 56.400 -0.114 0.000 0.915 164 E CB 0.339 29.988 29.700 -0.085 0.000 0.951 164 E HN 0.238 8.500 8.360 -0.164 0.000 0.449 165 R N 5.276 125.740 120.500 -0.059 0.000 2.112 165 R HA -0.352 3.983 4.340 -0.009 0.000 0.242 165 R C -0.155 176.146 176.300 0.001 0.000 1.137 165 R CA 5.503 61.595 56.100 -0.013 0.000 0.944 165 R CB -2.572 27.739 30.300 0.019 0.000 0.857 165 R HN 0.546 8.783 8.270 -0.055 0.000 0.435 166 P HA -0.190 4.245 4.420 0.026 0.000 0.217 166 P C 1.478 178.785 177.300 0.011 0.000 1.158 166 P CA 3.085 66.190 63.100 0.009 0.000 0.887 166 P CB -0.767 30.934 31.700 0.001 0.000 0.792 167 V N -1.972 117.923 119.914 -0.031 0.000 2.343 167 V HA -0.432 3.695 4.120 0.012 0.000 0.247 167 V C 1.775 177.840 176.094 -0.047 0.000 1.051 167 V CA 4.016 66.285 62.300 -0.051 0.000 1.036 167 V CB -0.497 31.239 31.823 -0.144 0.000 0.654 167 V HN -0.570 7.582 8.190 -0.052 0.007 0.451 168 c N -1.138 117.409 118.600 -0.088 0.000 2.432 168 c HA -0.293 4.258 4.570 -0.032 0.000 0.277 168 c C 2.780 177.028 174.090 0.264 0.000 1.249 168 c CA 3.207 59.562 56.329 0.043 0.000 1.725 168 c CB -1.721 40.806 42.510 0.028 0.000 2.028 168 c HN -0.519 7.550 8.230 -0.111 0.094 0.477 169 K N -0.223 120.283 120.400 0.177 0.000 2.097 169 K HA -0.240 4.192 4.320 0.186 0.000 0.206 169 K C 2.499 179.181 176.600 0.137 0.000 1.049 169 K CA 3.362 59.743 56.287 0.157 0.000 0.933 169 K CB -0.289 32.272 32.500 0.101 0.000 0.717 169 K HN 0.088 8.406 8.250 0.115 0.000 0.442 170 D N -3.102 117.371 120.400 0.122 0.000 2.336 170 D HA 0.036 4.732 4.640 0.093 0.000 0.229 170 D C 0.420 176.810 176.300 0.150 0.000 1.061 170 D CA 1.713 55.780 54.000 0.112 0.000 0.875 170 D CB -0.587 40.265 40.800 0.086 0.000 0.904 170 D HN -0.147 8.192 8.370 0.105 0.094 0.525 171 S N -2.952 112.879 115.700 0.218 0.000 2.524 171 S HA 0.012 4.608 4.470 0.210 0.000 0.215 171 S C -0.493 174.241 174.600 0.223 0.000 0.986 171 S CA 0.997 59.355 58.200 0.263 0.000 0.911 171 S CB 1.876 65.359 63.200 0.471 0.000 0.805 171 S HN -0.360 7.902 8.310 0.239 0.192 0.501 172 T N 0.127 114.799 114.554 0.196 0.000 2.812 172 T HA 0.221 4.649 4.350 0.129 0.000 0.294 172 T C -1.095 173.653 174.700 0.079 0.000 1.159 172 T CA -1.150 61.037 62.100 0.146 0.000 1.008 172 T CB 2.405 71.393 68.868 0.200 0.000 1.289 172 T HN -0.834 7.473 8.240 0.191 0.047 0.514 173 R N 0.658 121.178 120.500 0.034 0.000 2.237 173 R HA 0.176 4.521 4.340 0.008 0.000 0.195 173 R C 0.724 177.000 176.300 -0.041 0.000 0.956 173 R CA 0.352 56.449 56.100 -0.004 0.000 1.029 173 R CB 0.951 31.237 30.300 -0.024 0.000 0.972 173 R HN 0.291 8.579 8.270 0.031 0.000 0.493 174 I N 0.003 120.529 120.570 -0.074 0.000 2.813 174 I HA -0.222 3.845 4.170 -0.172 0.000 0.287 174 I C -0.607 175.458 176.117 -0.086 0.000 1.196 174 I CA 0.221 61.428 61.300 -0.154 0.000 1.421 174 I CB 0.723 38.512 38.000 -0.351 0.000 1.365 174 I HN -0.464 7.684 8.210 -0.050 0.032 0.591 175 R N 5.792 126.232 120.500 -0.100 0.000 2.242 175 R HA -0.081 4.245 4.340 -0.023 0.000 0.334 175 R C -1.150 175.140 176.300 -0.018 0.000 1.071 175 R CA -0.075 55.996 56.100 -0.049 0.000 0.922 175 R CB -0.530 29.732 30.300 -0.063 0.000 1.023 175 R HN 0.221 8.404 8.270 -0.144 0.000 0.458 176 I N 5.027 125.616 120.570 0.033 0.000 2.474 176 I HA 0.024 4.259 4.170 0.110 0.000 0.287 176 I C 0.662 176.832 176.117 0.088 0.000 1.048 176 I CA -1.727 59.630 61.300 0.095 0.000 1.383 176 I CB 0.063 38.161 38.000 0.164 0.000 1.412 176 I HN 0.050 8.282 8.210 0.037 0.000 0.531 177 T N 1.621 116.237 114.554 0.104 0.000 2.919 177 T HA 0.229 4.611 4.350 0.052 0.000 0.282 177 T C 0.105 174.867 174.700 0.102 0.000 1.020 177 T CA -2.020 60.124 62.100 0.074 0.000 0.994 177 T CB 3.083 71.978 68.868 0.045 0.000 1.180 177 T HN -0.561 7.761 8.240 0.137 0.000 0.566 178 D N -2.292 118.150 120.400 0.069 0.000 2.378 178 D HA -0.084 4.620 4.640 0.107 0.000 0.227 178 D C -0.245 176.110 176.300 0.092 0.000 1.012 178 D CA 1.663 55.708 54.000 0.074 0.000 0.905 178 D CB -0.438 40.373 40.800 0.019 0.000 0.895 178 D HN 0.239 8.634 8.370 0.041 0.000 0.532 179 N N -1.905 116.857 118.700 0.102 0.000 2.276 179 N HA 0.059 4.864 4.740 0.108 0.000 0.212 179 N C -1.627 174.031 175.510 0.245 0.000 1.127 179 N CA -0.048 53.083 53.050 0.134 0.000 0.834 179 N CB 0.571 39.096 38.487 0.063 0.000 1.014 179 N HN -0.522 7.824 8.380 0.088 0.086 0.491 180 M N -2.779 116.990 119.600 0.281 0.000 2.618 180 M HA 0.904 5.720 4.480 0.211 -0.209 0.281 180 M C -2.302 174.186 176.300 0.313 0.000 1.267 180 M CA -0.514 54.940 55.300 0.257 0.000 0.845 180 M CB 5.107 37.864 32.600 0.262 0.000 1.732 180 M HN -0.751 7.618 8.290 0.264 0.080 0.461 181 F N -4.304 115.697 119.950 0.085 0.000 2.685 181 F HA 0.664 5.181 4.527 -0.017 0.000 0.315 181 F C -2.860 172.795 175.800 -0.240 0.000 1.126 181 F CA -1.563 56.395 58.000 -0.070 0.000 0.950 181 F CB 2.652 41.534 39.000 -0.196 0.000 1.360 181 F HN 0.030 8.177 8.300 -0.256 0.000 0.469 182 c N -2.917 115.502 118.600 -0.301 0.000 2.779 182 c HA 1.115 5.361 4.570 -0.811 -0.162 0.314 182 c C -1.931 171.981 174.090 -0.296 0.000 1.231 182 c CA -3.861 52.041 56.329 -0.711 0.000 1.652 182 c CB 4.045 45.734 42.510 -1.367 0.000 2.198 182 c HN 0.445 8.615 8.230 -0.101 0.000 0.483 183 A N -0.105 122.608 122.820 -0.178 0.000 2.549 183 A HA 0.706 5.042 4.320 -0.100 -0.076 0.297 183 A C -2.368 175.275 177.584 0.100 0.000 1.061 183 A CA -0.818 51.197 52.037 -0.036 0.000 0.690 183 A CB 3.166 22.155 19.000 -0.020 0.000 1.287 183 A HN 0.519 8.547 8.150 -0.203 0.000 0.402 184 Y N 2.105 122.524 120.300 0.197 0.000 2.300 184 Y HA -0.024 4.761 4.550 0.160 -0.139 0.328 184 Y C 0.497 176.522 175.900 0.209 0.000 1.270 184 Y CA -0.650 57.548 58.100 0.164 0.000 1.352 184 Y CB 1.628 40.145 38.460 0.096 0.000 1.286 184 Y HN 0.245 8.667 8.280 0.237 0.000 0.536 185 K N -0.915 119.699 120.400 0.357 0.000 2.400 185 K HA 0.006 4.537 4.320 0.351 0.000 0.194 185 K C 0.145 176.849 176.600 0.172 0.000 1.033 185 K CA -0.369 56.087 56.287 0.283 0.000 1.021 185 K CB -0.076 32.559 32.500 0.224 0.000 0.808 185 K HN 0.216 8.678 8.250 0.354 0.000 0.505 186 K N -1.756 118.439 120.400 -0.342 0.000 4.127 186 K HA -0.417 3.673 4.320 -0.383 0.000 0.554 186 K C -1.121 175.225 176.600 -0.424 0.000 2.533 186 K CA 1.216 57.133 56.287 -0.616 0.000 1.971 186 K CB -0.089 31.525 32.500 -1.477 0.000 1.601 186 K HN -0.043 8.009 8.250 -0.330 0.000 0.443 187 R N 0.665 121.040 120.500 -0.209 0.000 2.987 187 R HA 0.179 4.607 4.340 0.147 0.000 0.248 187 R C -1.600 174.818 176.300 0.198 0.000 1.264 187 R CA -1.267 54.869 56.100 0.061 0.000 1.026 187 R CB 2.189 32.507 30.300 0.030 0.000 1.286 187 R HN 0.013 8.146 8.270 -0.228 0.000 0.483 188 G N -1.574 107.339 108.800 0.189 0.000 2.435 188 G HA2 -0.171 4.165 3.960 0.132 0.000 0.603 188 G HA3 -0.171 3.936 3.960 0.244 0.000 0.603 188 G C -2.511 172.490 174.900 0.168 0.000 1.496 188 G CA -0.298 44.914 45.100 0.187 0.000 0.896 188 G HN 0.209 8.930 8.290 0.141 -0.347 0.657 189 D N -0.695 119.785 120.400 0.133 0.000 2.755 189 D HA 0.228 4.960 4.640 0.153 0.000 0.277 189 D C -2.452 173.917 176.300 0.114 0.000 1.261 189 D CA -0.299 53.774 54.000 0.122 0.000 0.759 189 D CB 3.259 44.106 40.800 0.077 0.000 1.279 189 D HN -0.214 8.228 8.370 0.120 0.000 0.420 190 A N -1.080 121.809 122.820 0.115 0.000 2.240 190 A HA 0.260 4.646 4.320 0.110 0.000 0.292 190 A C -1.911 175.719 177.584 0.077 0.000 1.121 190 A CA -0.929 51.172 52.037 0.107 0.000 0.851 190 A CB 2.201 21.270 19.000 0.116 0.000 1.167 190 A HN 0.315 8.532 8.150 0.111 0.000 0.503 191 c N -3.399 115.250 118.600 0.082 0.000 3.293 191 c HA 0.260 4.873 4.570 0.073 0.000 0.362 191 c C -1.467 172.679 174.090 0.094 0.000 1.539 191 c CA -0.960 55.416 56.329 0.079 0.000 1.201 191 c CB 3.237 45.791 42.510 0.072 0.000 1.770 191 c HN 0.050 8.579 8.230 0.091 -0.244 0.440 192 E N 1.521 121.776 120.200 0.091 0.000 2.502 192 E HA -0.322 4.098 4.350 0.117 0.000 0.261 192 E C 0.821 177.488 176.600 0.110 0.000 0.974 192 E CA 2.146 58.607 56.400 0.102 0.000 0.936 192 E CB 0.630 30.381 29.700 0.085 0.000 0.926 192 E HN 0.381 8.790 8.360 0.081 0.000 0.459 193 G N 6.679 115.554 108.800 0.124 0.000 2.258 193 G HA2 -0.371 3.668 3.960 0.132 0.000 0.233 193 G HA3 -0.371 3.673 3.960 0.140 0.000 0.233 193 G C 0.822 175.818 174.900 0.160 0.000 1.006 193 G CA 1.177 46.360 45.100 0.139 0.000 0.620 193 G HN 0.834 9.202 8.290 0.131 0.000 0.511 194 D N 1.818 122.304 120.400 0.143 0.000 2.327 194 D HA 0.052 4.780 4.640 0.146 0.000 0.205 194 D C 0.216 176.602 176.300 0.143 0.000 0.989 194 D CA 1.002 55.085 54.000 0.138 0.000 0.873 194 D CB 0.662 41.532 40.800 0.118 0.000 0.955 194 D HN 0.112 8.456 8.370 0.131 0.105 0.515 195 S N -0.376 115.414 115.700 0.150 0.000 2.593 195 S HA -0.618 4.063 4.470 0.174 -0.106 0.303 195 S C 0.769 175.424 174.600 0.093 0.000 1.267 195 S CA 2.665 60.959 58.200 0.157 0.000 1.047 195 S CB 0.092 63.436 63.200 0.240 0.000 0.777 195 S HN -0.507 7.896 8.310 0.155 0.000 0.498 196 G N 4.126 112.973 108.800 0.079 0.000 2.268 196 G HA2 -0.446 3.625 3.960 0.048 0.000 0.240 196 G HA3 -0.446 3.659 3.960 0.048 -0.116 0.240 196 G C -0.167 174.818 174.900 0.141 0.000 1.010 196 G CA 0.116 45.259 45.100 0.073 0.000 0.618 196 G HN 0.623 8.979 8.290 0.111 0.000 0.516 197 G N 0.856 109.754 108.800 0.163 0.000 2.588 197 G HA2 0.419 4.550 3.960 0.182 0.000 0.281 197 G HA3 0.419 4.477 3.960 0.163 0.000 0.281 197 G C -2.813 172.219 174.900 0.221 0.000 1.236 197 G CA -1.982 43.227 45.100 0.181 0.000 0.969 197 G HN -0.408 7.889 8.290 0.155 0.087 0.504 198 P HA 0.480 5.199 4.420 0.254 -0.146 0.290 198 P C -2.080 175.371 177.300 0.251 0.000 1.275 198 P CA -1.417 61.822 63.100 0.232 0.000 0.841 198 P CB 1.860 33.675 31.700 0.191 0.000 1.042 199 F N 3.392 123.408 119.950 0.112 0.000 2.427 199 F HA 0.824 5.580 4.527 0.025 -0.214 0.348 199 F C -2.096 173.748 175.800 0.074 0.000 1.125 199 F CA -2.446 55.567 58.000 0.021 0.000 0.989 199 F CB 3.298 42.177 39.000 -0.202 0.000 1.165 199 F HN 0.162 8.675 8.300 0.355 0.000 0.442 200 V N 3.469 123.248 119.914 -0.224 0.000 3.001 200 V HA 0.938 5.228 4.120 0.076 -0.124 0.314 200 V C -2.292 173.789 176.094 -0.022 0.000 1.099 200 V CA -2.943 59.355 62.300 -0.003 0.000 0.989 200 V CB 4.052 35.941 31.823 0.110 0.000 1.040 200 V HN 0.869 8.820 8.190 -0.398 0.000 0.434 201 M N -0.014 119.647 119.600 0.102 0.000 2.619 201 M HA 0.411 4.868 4.480 -0.038 0.000 0.297 201 M C -1.968 174.233 176.300 -0.165 0.000 1.229 201 M CA -0.652 54.639 55.300 -0.016 0.000 0.860 201 M CB 5.150 37.733 32.600 -0.028 0.000 1.741 201 M HN 0.750 9.131 8.290 0.153 0.000 0.462 202 K N 1.079 121.172 120.400 -0.513 0.000 2.265 202 K HA 0.441 4.389 4.320 -0.889 -0.161 0.267 202 K C -0.741 175.629 176.600 -0.384 0.000 0.994 202 K CA -1.206 54.573 56.287 -0.846 0.000 0.860 202 K CB 1.546 33.203 32.500 -1.406 0.000 1.099 202 K HN 0.300 8.302 8.250 -0.413 0.000 0.448 203 S N 7.226 122.803 115.700 -0.205 0.000 2.121 203 S HA -0.237 4.155 4.470 -0.131 0.000 0.153 203 S C 0.660 175.172 174.600 -0.146 0.000 1.392 203 S CA 1.149 59.285 58.200 -0.108 0.000 2.333 203 S CB 1.012 64.242 63.200 0.051 0.000 0.305 203 S HN 0.691 8.902 8.310 -0.166 0.000 0.351 204 N N -0.088 118.603 118.700 -0.014 0.000 2.231 204 N HA -0.379 4.357 4.740 -0.006 0.000 0.232 204 N C -0.271 175.229 175.510 -0.017 0.000 1.357 204 N CA 1.023 54.074 53.050 0.001 0.000 0.795 204 N CB -1.212 37.299 38.487 0.040 0.000 1.266 204 N HN 0.549 8.922 8.380 -0.011 0.000 0.616 205 N N -4.820 113.847 118.700 -0.056 0.000 2.778 205 N HA -0.474 4.244 4.740 -0.151 -0.070 0.249 205 N C -1.631 173.802 175.510 -0.129 0.000 1.069 205 N CA 1.624 54.614 53.050 -0.099 0.000 0.831 205 N CB -0.355 38.104 38.487 -0.047 0.000 1.142 205 N HN -0.165 8.175 8.380 -0.066 0.000 0.573 206 R N -3.337 117.091 120.500 -0.119 0.000 2.573 206 R HA 0.147 4.442 4.340 -0.075 0.000 0.272 206 R C -1.056 175.056 176.300 -0.313 0.000 1.009 206 R CA -0.970 55.021 56.100 -0.181 0.000 1.059 206 R CB 2.165 32.292 30.300 -0.290 0.000 1.112 206 R HN -0.453 7.734 8.270 -0.048 0.054 0.517 207 W N -0.916 120.216 121.300 -0.280 0.000 2.433 207 W HA 0.532 5.322 4.660 -0.097 -0.188 0.315 207 W C -0.351 175.843 176.519 -0.542 0.000 1.087 207 W CA -0.857 56.318 57.345 -0.283 0.000 1.205 207 W CB 1.577 30.866 29.460 -0.285 0.000 1.288 207 W HN 0.226 8.402 8.180 -0.006 0.000 0.504 208 Y N 0.804 121.074 120.300 -0.049 0.000 2.468 208 Y HA 0.533 5.218 4.550 -0.120 -0.207 0.342 208 Y C -1.155 174.703 175.900 -0.069 0.000 1.021 208 Y CA -1.764 56.284 58.100 -0.086 0.000 1.079 208 Y CB 4.310 42.733 38.460 -0.063 0.000 1.226 208 Y HN 0.997 9.392 8.280 0.192 0.000 0.460 209 Q N 2.268 122.116 119.800 0.080 0.000 2.390 209 Q HA 0.382 4.901 4.340 0.080 -0.131 0.249 209 Q C -0.558 175.562 176.000 0.200 0.000 0.996 209 Q CA -1.028 54.827 55.803 0.087 0.000 0.899 209 Q CB 1.335 30.086 28.738 0.022 0.000 1.216 209 Q HN 0.450 8.769 8.270 0.080 0.000 0.465 210 M N 5.355 125.108 119.600 0.255 0.000 2.394 210 M HA 0.086 4.673 4.480 0.178 0.000 0.266 210 M C -0.346 176.172 176.300 0.364 0.000 1.098 210 M CA -0.208 55.233 55.300 0.235 0.000 1.149 210 M CB 0.603 33.287 32.600 0.140 0.000 1.369 210 M HN 0.037 8.494 8.290 0.278 0.000 0.450 211 G N -4.163 104.934 108.800 0.496 0.000 2.733 211 G HA2 0.627 5.061 3.960 0.427 0.000 0.288 211 G HA3 0.627 4.814 3.960 0.379 0.000 0.288 211 G C -3.084 172.032 174.900 0.361 0.000 1.373 211 G CA -0.996 44.368 45.100 0.440 0.000 0.895 211 G HN -0.428 8.185 8.290 0.538 0.000 0.479 212 I N -1.300 119.457 120.570 0.313 0.000 2.509 212 I HA 0.609 5.144 4.170 0.293 -0.189 0.293 212 I C -0.473 175.830 176.117 0.309 0.000 1.020 212 I CA -1.526 59.945 61.300 0.285 0.000 1.088 212 I CB 4.351 42.479 38.000 0.213 0.000 1.267 212 I HN -0.410 8.032 8.210 0.258 -0.077 0.430 213 V N 6.275 126.363 119.914 0.291 0.000 2.485 213 V HA -0.188 3.872 4.120 -0.101 0.000 0.287 213 V C -1.116 175.015 176.094 0.062 0.000 1.022 213 V CA 1.874 64.240 62.300 0.111 0.000 1.067 213 V CB -0.970 30.956 31.823 0.172 0.000 0.967 213 V HN 0.583 8.837 8.190 0.282 0.105 0.479 214 S N 7.077 122.720 115.700 -0.094 0.000 2.942 214 S HA 0.279 5.070 4.470 0.376 -0.095 0.220 214 S C -0.589 174.141 174.600 0.216 0.000 0.945 214 S CA 1.127 59.424 58.200 0.162 0.000 0.851 214 S CB 2.496 65.780 63.200 0.141 0.000 0.820 214 S HN 0.231 8.276 8.310 -0.442 0.000 0.624 215 W N -2.315 118.943 121.300 -0.070 0.000 2.923 215 W HA 0.314 4.939 4.660 -0.059 0.000 0.373 215 W C -2.177 174.342 176.519 -0.001 0.000 1.205 215 W CA -1.167 56.142 57.345 -0.060 0.000 1.180 215 W CB 1.268 30.663 29.460 -0.108 0.000 1.477 215 W HN -0.411 7.494 8.180 -0.459 0.000 0.581 216 G N -1.375 107.652 108.800 0.379 0.000 2.523 216 G HA2 0.098 4.203 3.960 0.242 0.000 0.291 216 G HA3 0.098 4.116 3.960 0.097 0.000 0.291 216 G C -1.488 173.606 174.900 0.323 0.000 1.450 216 G CA -0.429 44.825 45.100 0.256 0.000 0.790 216 G HN -0.321 8.260 8.290 0.485 0.000 0.496 220 c N 1.882 120.508 118.600 0.043 0.000 3.158 220 c HA 0.340 5.099 4.570 0.044 -0.162 0.228 220 c C -1.410 172.699 174.090 0.031 0.000 2.110 220 c CA -0.903 55.452 56.329 0.042 0.000 1.407 220 c CB -0.839 41.700 42.510 0.049 0.000 2.635 220 c HN 0.095 8.604 8.230 0.037 -0.257 0.509 221 R N -1.310 119.179 120.500 -0.018 0.000 2.824 221 R HA 0.197 4.531 4.340 -0.010 0.000 0.267 221 R C -2.127 174.135 176.300 -0.064 0.000 1.035 221 R CA -0.380 55.706 56.100 -0.025 0.000 0.887 221 R CB 2.641 32.933 30.300 -0.013 0.000 1.262 221 R HN -0.214 8.046 8.270 -0.016 0.000 0.487 222 D N 1.100 121.471 120.400 -0.047 0.000 2.389 222 D HA -0.050 4.539 4.640 -0.085 0.000 0.247 222 D C 1.205 177.450 176.300 -0.091 0.000 1.128 222 D CA 1.143 55.105 54.000 -0.064 0.000 0.884 222 D CB 0.189 40.976 40.800 -0.022 0.000 1.194 222 D HN 0.009 8.365 8.370 -0.024 0.000 0.441 223 G N 1.307 110.013 108.800 -0.156 0.000 2.176 223 G HA2 -0.452 3.474 3.960 -0.057 0.000 0.253 223 G HA3 -0.452 3.489 3.960 -0.032 0.000 0.253 223 G C -0.842 173.909 174.900 -0.249 0.000 0.979 223 G CA 0.235 45.261 45.100 -0.123 0.000 0.641 223 G HN 0.414 8.590 8.290 -0.189 0.000 0.530 224 K N -0.741 119.409 120.400 -0.415 0.000 2.238 224 K HA 0.410 4.659 4.320 -0.118 0.000 0.239 224 K C -1.379 174.741 176.600 -0.800 0.000 0.987 224 K CA -1.722 54.362 56.287 -0.339 0.000 0.857 224 K CB 2.347 34.788 32.500 -0.098 0.000 1.154 224 K HN -0.774 7.168 8.250 -0.370 0.085 0.439 225 Y N -3.095 117.224 120.300 0.032 0.000 2.638 225 Y HA 0.081 4.582 4.550 -0.081 0.000 0.339 225 Y C -0.793 174.971 175.900 -0.225 0.000 1.084 225 Y CA -0.799 57.224 58.100 -0.128 0.000 1.068 225 Y CB 3.811 42.100 38.460 -0.285 0.000 1.294 225 Y HN 0.015 8.369 8.280 0.123 0.000 0.480 226 G N -1.755 106.944 108.800 -0.168 0.000 2.389 226 G HA2 0.529 4.422 3.960 -0.280 0.000 0.317 226 G HA3 0.529 4.294 3.960 -0.325 0.000 0.317 226 G C -2.453 171.941 174.900 -0.843 0.000 1.137 226 G CA -1.501 43.371 45.100 -0.380 0.000 0.870 226 G HN 0.109 8.375 8.290 -0.041 0.000 0.496 227 F N 1.370 120.706 119.950 -1.024 0.000 2.480 227 F HA 0.833 5.109 4.527 -0.720 -0.181 0.329 227 F C -0.932 174.144 175.800 -1.207 0.000 1.091 227 F CA -1.404 55.949 58.000 -1.078 0.000 0.972 227 F CB 3.946 41.975 39.000 -1.617 0.000 1.150 227 F HN 0.695 8.536 8.300 -0.764 0.000 0.467 228 Y N -0.033 119.857 120.300 -0.682 0.000 2.512 228 Y HA 0.664 5.152 4.550 -0.342 -0.143 0.348 228 Y C 0.130 175.770 175.900 -0.433 0.000 0.990 228 Y CA -1.839 55.871 58.100 -0.648 0.000 1.033 228 Y CB 3.481 41.222 38.460 -1.198 0.000 1.259 228 Y HN 0.905 8.807 8.280 -0.631 0.000 0.461 229 T N 4.705 119.270 114.554 0.019 0.000 2.901 229 T HA -0.051 4.538 4.350 0.155 -0.145 0.301 229 T C -0.755 174.104 174.700 0.265 0.000 1.012 229 T CA 1.324 63.513 62.100 0.149 0.000 1.135 229 T CB 0.496 69.469 68.868 0.175 0.000 0.936 229 T HN 0.290 8.572 8.240 0.070 0.000 0.539 230 H N 8.339 127.564 119.070 0.259 0.000 3.109 230 H HA 0.023 4.947 4.556 0.612 0.000 0.266 230 H C 0.517 176.007 175.328 0.271 0.000 1.334 230 H CA -0.619 55.658 56.048 0.382 0.000 1.456 230 H CB -0.582 29.364 29.762 0.307 0.000 1.587 230 H HN 0.100 8.506 8.280 0.375 0.099 0.500 231 V N 7.964 128.150 119.914 0.455 0.000 2.332 231 V HA -0.513 3.786 4.120 0.299 0.000 0.248 231 V C 1.832 178.134 176.094 0.348 0.000 1.055 231 V CA 4.391 66.903 62.300 0.354 0.000 1.038 231 V CB -0.267 31.738 31.823 0.304 0.000 0.651 231 V HN 0.003 8.449 8.190 0.426 0.000 0.450 232 F N -0.375 119.776 119.950 0.334 0.000 2.126 232 F HA -0.302 4.318 4.527 0.155 0.000 0.299 232 F C 1.499 177.374 175.800 0.125 0.000 1.096 232 F CA 2.975 61.103 58.000 0.214 0.000 1.255 232 F CB -0.186 38.944 39.000 0.215 0.000 0.997 232 F HN -0.311 8.369 8.300 0.634 0.000 0.479 233 R N -3.338 117.075 120.500 -0.146 0.000 2.193 233 R HA -0.261 3.799 4.340 -0.466 0.000 0.229 233 R C 1.178 177.376 176.300 -0.170 0.000 1.110 233 R CA 2.355 58.270 56.100 -0.309 0.000 0.988 233 R CB -0.241 29.892 30.300 -0.279 0.000 0.871 233 R HN -0.582 7.764 8.270 0.127 0.000 0.458 234 L N -4.372 116.835 121.223 -0.027 0.000 2.693 234 L HA 0.328 4.731 4.340 0.105 0.000 0.235 234 L C 0.316 177.272 176.870 0.143 0.000 1.127 234 L CA -0.793 54.111 54.840 0.106 0.000 0.914 234 L CB -0.100 42.073 42.059 0.190 0.000 1.193 234 L HN -0.470 7.630 8.230 0.041 0.154 0.502 235 K N 1.618 122.007 120.400 -0.018 0.000 2.074 235 K HA -0.446 3.916 4.320 0.069 0.000 0.209 235 K C 1.407 177.999 176.600 -0.014 0.000 1.048 235 K CA 3.834 60.112 56.287 -0.015 0.000 0.926 235 K CB -0.316 32.114 32.500 -0.117 0.000 0.713 235 K HN -0.336 7.633 8.250 -0.150 0.191 0.444 236 K N -3.142 117.234 120.400 -0.040 0.000 2.152 236 K HA -0.227 4.062 4.320 -0.052 0.000 0.206 236 K C 2.207 178.821 176.600 0.024 0.000 1.048 236 K CA 2.443 58.718 56.287 -0.020 0.000 0.933 236 K CB -1.129 31.358 32.500 -0.020 0.000 0.721 236 K HN 0.275 8.450 8.250 -0.102 0.013 0.447 237 W N 0.949 122.214 121.300 -0.058 0.000 2.407 237 W HA -0.261 4.345 4.660 -0.091 0.000 0.305 237 W C 1.405 177.866 176.519 -0.097 0.000 1.196 237 W CA 3.961 61.263 57.345 -0.071 0.000 1.311 237 W CB 0.078 29.516 29.460 -0.035 0.000 1.135 237 W HN -0.501 7.714 8.180 0.259 0.121 0.514 238 I N -0.877 119.635 120.570 -0.096 0.000 2.069 238 I HA -0.797 2.975 4.170 -0.662 0.000 0.237 238 I C 1.932 177.778 176.117 -0.452 0.000 1.053 238 I CA 4.440 65.531 61.300 -0.348 0.000 1.311 238 I CB -0.392 37.571 38.000 -0.062 0.000 1.030 238 I HN -0.519 7.742 8.210 0.205 0.072 0.398 239 Q N -1.754 117.883 119.800 -0.270 0.000 2.062 239 Q HA -0.515 3.667 4.340 -0.263 0.000 0.209 239 Q C 2.207 178.011 176.000 -0.327 0.000 0.996 239 Q CA 3.448 59.098 55.803 -0.255 0.000 0.859 239 Q CB -0.394 28.256 28.738 -0.147 0.000 0.920 239 Q HN 0.163 8.334 8.270 -0.165 0.000 0.415 240 K N -0.353 119.855 120.400 -0.320 0.000 2.015 240 K HA -0.334 3.976 4.320 -0.265 -0.149 0.216 240 K C 2.651 178.977 176.600 -0.456 0.000 1.052 240 K CA 3.044 59.131 56.287 -0.334 0.000 0.937 240 K CB -0.076 32.264 32.500 -0.266 0.000 0.719 240 K HN -0.491 7.599 8.250 -0.266 0.000 0.446 241 V N -1.344 118.189 119.914 -0.635 0.000 2.427 241 V HA -0.325 3.577 4.120 -0.363 0.000 0.248 241 V C 1.374 177.134 176.094 -0.556 0.000 1.051 241 V CA 2.919 64.886 62.300 -0.556 0.000 1.048 241 V CB 0.280 31.598 31.823 -0.843 0.000 0.666 241 V HN -0.407 7.288 8.190 -0.824 0.000 0.456 242 I N -1.836 118.298 120.570 -0.727 0.000 2.493 242 I HA -0.422 3.217 4.170 -0.886 0.000 0.254 242 I C 0.734 176.651 176.117 -0.333 0.000 1.160 242 I CA 2.919 63.784 61.300 -0.725 0.000 1.445 242 I CB -0.193 37.298 38.000 -0.848 0.000 1.086 242 I HN -0.132 7.626 8.210 -0.745 0.005 0.433 243 D N -4.200 116.013 120.400 -0.311 0.000 2.463 243 D HA 0.072 4.627 4.640 -0.141 0.000 0.224 243 D C -0.282 175.867 176.300 -0.251 0.000 1.174 243 D CA -0.022 53.853 54.000 -0.208 0.000 0.829 243 D CB -0.423 40.275 40.800 -0.170 0.000 0.993 243 D HN -0.109 7.923 8.370 -0.366 0.118 0.497 244 Q N -2.276 117.296 119.800 -0.380 0.000 2.384 244 Q HA 0.097 4.178 4.340 -0.430 0.000 0.264 244 Q C -0.728 174.847 176.000 -0.709 0.000 0.825 244 Q CA 0.791 56.221 55.803 -0.622 0.000 0.984 244 Q CB 2.617 30.818 28.738 -0.894 0.000 1.183 244 Q HN -0.638 7.215 8.270 -0.370 0.195 0.537 245 F N 0.000 119.922 119.950 -0.046 0.000 2.286 245 F HA 0.000 4.582 4.527 0.091 0.000 0.279 245 F CA 0.000 58.050 58.000 0.084 0.000 1.383 245 F CB 0.000 39.047 39.000 0.078 0.000 1.145 245 F HN 0.000 8.149 8.300 -0.252 0.000 0.574