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 1q8k_1_A DATA FIRST_RESID 3 DATA SEQUENCE MSCRFYQHKF PEVEDVVMVN VRSIQEMGAY VSLLEYNNIE GMIHLSELSR DATA SEQUENCE RRIRSINKLI RIGRNECVKV IRVDKEKGYI DLSKRRVSPE EAIKCEDKFT DATA SEQUENCE KSKTVYSILR HVAEVLEYTK DEQLESLFQR TAWVFDDKYK RPGYGAYDAF DATA SEQUENCE KHAVSDPSIL DSLDLNEDER EVLINNINRR LTPQAVKIRA DIEVACYGYE DATA SEQUENCE GIDAVKEALR AGLNCSTENM PIKINLIAPP RYVMTTTTLE RTEGLSVLSQ DATA SEQUENCE AMAVIKEKIE EKRGVFNVQM EPKVVTDTDE TELARQMERL ERENAEVDGD 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 M HA 0.000 4.516 4.480 0.060 0.000 0.227 3 M C 0.000 176.340 176.300 0.067 0.000 1.140 3 M CA 0.000 55.331 55.300 0.052 0.000 0.988 3 M CB 0.000 32.627 32.600 0.046 0.000 1.302 4 S N 0.588 116.323 115.700 0.057 0.000 2.559 4 S HA 0.167 4.621 4.470 -0.028 0.000 0.212 4 S C 0.072 174.718 174.600 0.078 0.000 0.994 4 S CA 0.054 58.264 58.200 0.016 0.000 0.903 4 S CB 1.052 64.249 63.200 -0.005 0.000 0.861 4 S HN -0.021 8.322 8.310 0.054 0.000 0.601 5 C N -0.812 118.579 119.300 0.151 0.000 2.745 5 C HA -0.322 4.416 4.460 0.252 -0.128 0.402 5 C C -0.304 174.926 174.990 0.400 0.000 1.261 5 C CA 1.145 60.322 59.018 0.265 0.000 1.908 5 C CB 0.804 28.716 27.740 0.287 0.000 2.707 5 C HN -0.072 8.235 8.230 0.128 0.000 0.672 6 R N -0.210 120.621 120.500 0.552 0.000 3.080 6 R HA -0.025 4.856 4.340 0.902 0.000 0.058 6 R C -0.085 176.725 176.300 0.850 0.000 0.799 6 R CA 1.284 57.930 56.100 0.911 0.000 2.610 6 R CB 1.800 32.807 30.300 1.177 0.000 1.404 6 R HN 0.784 9.226 8.270 0.463 0.105 0.489 7 F N -2.454 117.629 119.950 0.222 0.000 2.771 7 F HA -0.105 4.409 4.527 -0.022 0.000 0.299 7 F C -0.399 174.493 175.800 -1.514 0.000 1.177 7 F CA 2.133 59.869 58.000 -0.440 0.000 1.450 7 F CB 0.091 38.845 39.000 -0.411 0.000 1.114 7 F HN 0.131 8.834 8.300 0.828 0.095 0.587 8 Y N -3.432 116.317 120.300 -0.918 0.000 3.518 8 Y HA -0.069 3.654 4.550 -1.378 0.000 0.277 8 Y C -1.225 174.564 175.900 -0.185 0.000 0.882 8 Y CA -0.270 57.313 58.100 -0.861 0.000 1.268 8 Y CB 0.887 38.990 38.460 -0.596 0.000 1.293 8 Y HN -0.834 7.309 8.280 -0.087 0.085 0.664 9 Q N -0.224 119.611 119.800 0.059 0.000 2.436 9 Q HA -0.492 3.982 4.340 0.224 0.000 0.264 9 Q C -0.966 175.161 176.000 0.213 0.000 1.093 9 Q CA 1.939 57.836 55.803 0.157 0.000 0.994 9 Q CB -1.424 27.368 28.738 0.089 0.000 1.434 9 Q HN 0.100 8.448 8.270 0.131 0.000 0.520 10 H N -4.080 115.051 119.070 0.103 0.000 3.784 10 H HA -0.269 4.413 4.556 0.209 0.000 0.307 10 H C -1.659 173.694 175.328 0.041 0.000 0.816 10 H CA 1.583 57.705 56.048 0.124 0.000 0.907 10 H CB -0.911 28.907 29.762 0.094 0.000 1.406 10 H HN 0.078 8.444 8.280 0.217 0.044 0.331 11 K N 5.682 126.052 120.400 -0.049 0.000 2.675 11 K HA 0.082 4.247 4.320 -0.259 0.000 0.274 11 K C -2.381 174.183 176.600 -0.060 0.000 1.444 11 K CA -0.283 55.950 56.287 -0.090 0.000 0.925 11 K CB 1.103 33.665 32.500 0.104 0.000 1.401 11 K HN 0.316 8.561 8.250 -0.007 0.000 0.504 12 F N 0.037 119.946 119.950 -0.069 0.000 2.541 12 F HA 0.636 5.120 4.527 -0.072 0.000 0.331 12 F C -1.909 173.870 175.800 -0.035 0.000 1.057 12 F CA -3.462 54.491 58.000 -0.078 0.000 0.975 12 F CB -0.440 38.472 39.000 -0.146 0.000 1.246 12 F HN -0.407 6.998 8.300 -1.491 0.000 0.484 13 P HA 0.010 4.464 4.420 0.057 0.000 0.312 13 P C -1.838 175.591 177.300 0.215 0.000 1.307 13 P CA -0.461 62.716 63.100 0.129 0.000 0.738 13 P CB 0.814 32.565 31.700 0.085 0.000 1.422 14 E N -0.528 119.751 120.200 0.133 0.000 2.185 14 E HA 0.080 4.552 4.350 0.202 0.000 0.261 14 E C -1.239 175.414 176.600 0.088 0.000 0.879 14 E CA -0.584 55.898 56.400 0.138 0.000 0.756 14 E CB 0.502 30.264 29.700 0.104 0.000 1.152 14 E HN -0.016 8.398 8.360 0.089 0.000 0.416 15 V N 1.669 121.627 119.914 0.074 0.000 6.216 15 V HA -0.365 3.770 4.120 0.024 0.000 0.313 15 V C -1.160 174.948 176.094 0.023 0.000 0.538 15 V CA 1.552 63.875 62.300 0.039 0.000 0.645 15 V CB -0.816 31.035 31.823 0.048 0.000 0.287 15 V HN 0.491 8.732 8.190 0.084 0.000 0.833 16 E N -1.078 119.129 120.200 0.011 0.000 3.194 16 E HA -0.003 4.343 4.350 -0.007 0.000 0.114 16 E C -2.010 174.581 176.600 -0.015 0.000 0.882 16 E CA -0.119 56.281 56.400 0.000 0.000 1.545 16 E CB 0.676 30.384 29.700 0.014 0.000 0.986 16 E HN -0.088 8.276 8.360 0.006 0.000 0.357 17 D N 0.938 121.314 120.400 -0.040 0.000 2.427 17 D HA 0.210 4.822 4.640 -0.048 0.000 0.226 17 D C -1.544 174.707 176.300 -0.081 0.000 1.076 17 D CA -0.223 53.736 54.000 -0.068 0.000 0.849 17 D CB 0.497 41.221 40.800 -0.127 0.000 1.052 17 D HN -0.193 8.147 8.370 -0.049 0.000 0.515 18 V N 7.141 127.017 119.914 -0.063 0.000 2.328 18 V HA 0.432 4.683 4.120 -0.066 -0.171 0.278 18 V C -1.040 175.020 176.094 -0.056 0.000 1.021 18 V CA -1.716 60.548 62.300 -0.060 0.000 0.838 18 V CB -0.219 31.576 31.823 -0.046 0.000 0.999 18 V HN 0.248 8.406 8.190 -0.054 0.000 0.447 19 V N 1.113 120.987 119.914 -0.066 0.000 3.156 19 V HA 0.485 4.588 4.120 -0.028 0.000 0.306 19 V C -2.507 173.547 176.094 -0.068 0.000 1.468 19 V CA -2.781 59.489 62.300 -0.051 0.000 1.047 19 V CB 2.384 34.177 31.823 -0.050 0.000 1.078 19 V HN 0.444 8.586 8.190 -0.080 0.000 0.468 20 M N 0.902 120.460 119.600 -0.071 0.000 2.180 20 M HA 0.500 5.112 4.480 -0.094 -0.188 0.350 20 M C -0.526 175.695 176.300 -0.132 0.000 1.125 20 M CA -0.325 54.912 55.300 -0.105 0.000 1.031 20 M CB 1.381 33.907 32.600 -0.124 0.000 1.623 20 M HN -0.102 8.160 8.290 -0.046 0.000 0.451 21 V N -1.228 118.608 119.914 -0.129 0.000 3.113 21 V HA 0.612 4.688 4.120 -0.139 -0.040 0.316 21 V C -2.684 173.335 176.094 -0.125 0.000 1.125 21 V CA -3.367 58.851 62.300 -0.137 0.000 1.026 21 V CB 3.959 35.691 31.823 -0.150 0.000 1.080 21 V HN 1.058 9.178 8.190 -0.115 0.000 0.444 22 N N -0.129 118.501 118.700 -0.117 0.000 2.372 22 N HA 0.289 4.975 4.740 -0.089 0.000 0.285 22 N C -0.842 174.614 175.510 -0.090 0.000 1.008 22 N CA -2.219 50.775 53.050 -0.093 0.000 0.880 22 N CB 2.301 40.742 38.487 -0.077 0.000 1.239 22 N HN 0.164 8.373 8.380 -0.121 0.099 0.484 23 V N 4.761 124.633 119.914 -0.071 0.000 3.083 23 V HA -0.348 3.728 4.120 -0.073 0.000 0.303 23 V C -0.878 175.188 176.094 -0.046 0.000 1.151 23 V CA 2.179 64.444 62.300 -0.058 0.000 1.275 23 V CB 0.714 32.518 31.823 -0.032 0.000 0.950 23 V HN -0.118 8.033 8.190 -0.064 0.000 0.506 24 R N 6.711 127.193 120.500 -0.030 0.000 3.275 24 R HA 0.282 4.625 4.340 0.005 0.000 0.154 24 R C -0.819 175.529 176.300 0.080 0.000 0.843 24 R CA 0.211 56.319 56.100 0.014 0.000 1.027 24 R CB 2.673 32.959 30.300 -0.024 0.000 1.423 24 R HN 0.145 8.399 8.270 -0.026 0.000 0.530 25 S N 1.117 116.910 115.700 0.155 0.000 2.659 25 S HA 0.136 4.659 4.470 0.088 0.000 0.312 25 S C -2.014 172.659 174.600 0.121 0.000 1.114 25 S CA -1.297 56.988 58.200 0.142 0.000 1.063 25 S CB 1.346 64.657 63.200 0.185 0.000 0.996 25 S HN -0.251 8.052 8.310 0.191 0.122 0.478 26 I N 5.763 126.373 120.570 0.066 0.000 2.428 26 I HA 0.014 4.221 4.170 0.062 0.000 0.289 26 I C -1.228 174.912 176.117 0.038 0.000 1.019 26 I CA -0.511 60.819 61.300 0.051 0.000 1.351 26 I CB 1.355 39.374 38.000 0.031 0.000 1.412 26 I HN 0.474 8.714 8.210 0.051 0.000 0.513 27 Q N 6.514 126.337 119.800 0.037 0.000 2.484 27 Q HA 0.390 4.738 4.340 0.013 0.000 0.285 27 Q C -0.052 175.961 176.000 0.022 0.000 1.097 27 Q CA -1.340 54.475 55.803 0.020 0.000 0.802 27 Q CB 3.965 32.709 28.738 0.010 0.000 1.444 27 Q HN 0.225 8.523 8.270 0.047 0.000 0.429 28 E N 1.174 121.383 120.200 0.015 0.000 2.152 28 E HA -0.270 4.093 4.350 0.021 0.000 0.192 28 E C 0.031 176.648 176.600 0.028 0.000 0.983 28 E CA 2.310 58.722 56.400 0.020 0.000 0.818 28 E CB 0.014 29.722 29.700 0.013 0.000 0.758 28 E HN 0.523 8.889 8.360 0.009 0.000 0.467 29 M N -4.027 115.587 119.600 0.023 0.000 2.637 29 M HA 0.336 4.849 4.480 0.055 0.000 0.286 29 M C -1.067 175.249 176.300 0.027 0.000 1.246 29 M CA -0.384 54.937 55.300 0.034 0.000 0.978 29 M CB -0.242 32.368 32.600 0.017 0.000 1.417 29 M HN -0.584 7.697 8.290 0.013 0.017 0.487 30 G N -2.366 106.455 108.800 0.035 0.000 2.347 30 G HA2 -0.020 4.046 3.960 0.054 0.000 0.303 30 G HA3 -0.020 3.936 3.960 -0.006 0.000 0.303 30 G C -3.347 171.585 174.900 0.054 0.000 1.481 30 G CA 0.522 45.641 45.100 0.031 0.000 0.914 30 G HN -0.819 7.321 8.290 0.038 0.173 0.638 31 A N 0.265 123.129 122.820 0.074 0.000 2.466 31 A HA 0.521 4.971 4.320 0.083 -0.081 0.291 31 A C -1.715 175.948 177.584 0.132 0.000 1.234 31 A CA -0.968 51.119 52.037 0.084 0.000 0.752 31 A CB 2.376 21.405 19.000 0.048 0.000 1.153 31 A HN -0.061 8.133 8.150 0.073 0.000 0.458 32 Y N 7.400 127.690 120.300 -0.017 0.000 2.497 32 Y HA 0.123 4.792 4.550 -0.027 -0.135 0.334 32 Y C -0.876 175.005 175.900 -0.033 0.000 1.199 32 Y CA 0.089 58.175 58.100 -0.023 0.000 1.425 32 Y CB 1.473 39.925 38.460 -0.013 0.000 1.291 32 Y HN 0.591 9.023 8.280 0.254 0.000 0.562 33 V N 0.740 120.417 119.914 -0.396 0.000 3.105 33 V HA 0.375 4.406 4.120 -0.163 -0.009 0.311 33 V C -2.084 173.780 176.094 -0.385 0.000 1.282 33 V CA -2.999 59.132 62.300 -0.282 0.000 1.065 33 V CB 3.361 35.061 31.823 -0.206 0.000 1.136 33 V HN 0.967 8.614 8.190 -0.698 0.124 0.469 34 S N -1.895 113.657 115.700 -0.247 0.000 2.622 34 S HA 0.306 4.611 4.470 -0.275 0.000 0.283 34 S C -0.405 174.079 174.600 -0.194 0.000 1.197 34 S CA -1.438 56.629 58.200 -0.222 0.000 1.146 34 S CB -0.087 63.030 63.200 -0.138 0.000 1.007 34 S HN 0.384 8.465 8.310 -0.187 0.116 0.478 35 L N 9.896 130.980 121.223 -0.231 0.000 2.544 35 L HA -0.075 4.153 4.340 -0.187 0.000 0.240 35 L C -1.378 175.413 176.870 -0.132 0.000 1.421 35 L CA -0.227 54.491 54.840 -0.203 0.000 1.206 35 L CB -0.985 40.905 42.059 -0.283 0.000 1.463 35 L HN -0.045 7.871 8.230 -0.283 0.145 0.437 36 L N -1.687 119.490 121.223 -0.077 0.000 2.975 36 L HA -0.339 4.093 4.340 0.154 0.000 0.550 36 L C -0.100 176.741 176.870 -0.050 0.000 1.001 36 L CA 0.208 55.088 54.840 0.067 0.000 1.291 36 L CB -0.173 41.952 42.059 0.110 0.000 1.434 36 L HN 0.501 8.601 8.230 -0.097 0.071 0.696 37 E N 3.295 123.258 120.200 -0.394 0.000 2.651 37 E HA -0.151 3.992 4.350 -0.345 0.000 0.236 37 E C -1.519 174.424 176.600 -1.095 0.000 1.422 37 E CA 1.117 57.072 56.400 -0.743 0.000 1.534 37 E CB -1.480 27.735 29.700 -0.807 0.000 1.381 37 E HN 0.517 8.725 8.360 -0.253 0.000 0.435 38 Y N -4.894 115.456 120.300 0.084 0.000 3.189 38 Y HA 0.126 4.983 4.550 0.296 -0.129 0.213 38 Y C 1.195 177.190 175.900 0.158 0.000 1.032 38 Y CA 1.324 59.542 58.100 0.197 0.000 1.482 38 Y CB 0.431 38.992 38.460 0.169 0.000 1.460 38 Y HN -0.153 8.004 8.280 0.017 0.133 0.398 39 N N -0.832 117.990 118.700 0.203 0.000 2.467 39 N HA -0.038 4.758 4.740 0.093 0.000 0.184 39 N C 0.075 175.602 175.510 0.028 0.000 1.106 39 N CA 1.706 54.799 53.050 0.072 0.000 0.892 39 N CB -0.148 38.303 38.487 -0.059 0.000 0.969 39 N HN 0.233 8.718 8.380 0.175 0.000 0.454 40 N N -3.356 115.353 118.700 0.016 0.000 2.714 40 N HA 0.089 4.808 4.740 -0.036 0.000 0.312 40 N C -1.633 173.861 175.510 -0.027 0.000 1.297 40 N CA 0.914 53.916 53.050 -0.081 0.000 1.582 40 N CB 3.444 41.794 38.487 -0.227 0.000 0.778 40 N HN -0.763 7.594 8.380 0.044 0.050 1.341 41 I N -1.923 118.594 120.570 -0.089 0.000 2.069 41 I HA -0.015 4.158 4.170 0.005 0.000 0.313 41 I C -2.267 173.763 176.117 -0.144 0.000 2.691 41 I CA -0.617 60.670 61.300 -0.022 0.000 1.021 41 I CB 1.917 40.016 38.000 0.164 0.000 2.005 41 I HN 0.035 8.145 8.210 -0.166 0.000 0.638 42 E N 0.066 120.177 120.200 -0.148 0.000 4.126 42 E HA -0.032 4.194 4.350 -0.297 -0.054 0.314 42 E C -0.734 175.612 176.600 -0.424 0.000 1.438 42 E CA -0.311 55.907 56.400 -0.303 0.000 1.682 42 E CB 0.844 30.375 29.700 -0.282 0.000 1.454 42 E HN -0.011 8.312 8.360 -0.061 0.000 0.810 43 G N -3.826 104.559 108.800 -0.691 0.000 2.489 43 G HA2 0.289 3.956 3.960 -0.488 0.000 0.291 43 G HA3 0.289 3.977 3.960 -0.452 0.000 0.291 43 G C -2.767 171.777 174.900 -0.594 0.000 1.487 43 G CA 0.336 45.101 45.100 -0.559 0.000 0.795 43 G HN -0.093 7.536 8.290 -1.102 0.000 0.513 44 M N 1.245 120.710 119.600 -0.226 0.000 2.197 44 M HA 0.454 5.092 4.480 0.263 0.000 0.301 44 M C -2.576 173.745 176.300 0.034 0.000 0.987 44 M CA -1.090 54.285 55.300 0.126 0.000 0.921 44 M CB 3.744 36.600 32.600 0.428 0.000 1.569 44 M HN 0.343 8.437 8.290 -0.326 0.000 0.431 45 I N -0.262 120.335 120.570 0.044 0.000 2.577 45 I HA 0.533 4.903 4.170 0.036 -0.179 0.305 45 I C -1.571 174.599 176.117 0.088 0.000 0.986 45 I CA -2.709 58.618 61.300 0.045 0.000 1.189 45 I CB 2.684 40.695 38.000 0.018 0.000 1.355 45 I HN 0.110 8.363 8.210 0.071 0.000 0.476 46 H N 4.989 124.086 119.070 0.044 0.000 2.690 46 H HA 0.360 4.950 4.556 0.057 0.000 0.289 46 H C 0.341 175.685 175.328 0.027 0.000 1.089 46 H CA -1.367 54.708 56.048 0.045 0.000 1.299 46 H CB 0.604 30.392 29.762 0.044 0.000 1.405 46 H HN 0.023 8.423 8.280 0.200 0.000 0.463 47 L N 7.291 128.667 121.223 0.255 0.000 2.127 47 L HA -0.312 4.084 4.340 0.093 0.000 0.211 47 L C 1.145 178.077 176.870 0.104 0.000 1.089 47 L CA 2.960 57.883 54.840 0.138 0.000 0.757 47 L CB 0.302 42.425 42.059 0.107 0.000 0.899 47 L HN 0.676 9.043 8.230 0.229 0.000 0.434 48 S N -4.125 111.658 115.700 0.138 0.000 2.547 48 S HA -0.182 4.283 4.470 -0.008 0.000 0.235 48 S C 0.084 174.609 174.600 -0.125 0.000 0.980 48 S CA 2.504 60.680 58.200 -0.040 0.000 0.941 48 S CB -0.163 62.956 63.200 -0.134 0.000 0.763 48 S HN -0.555 7.959 8.310 0.382 0.025 0.532 49 E N -2.148 117.996 120.200 -0.092 0.000 2.846 49 E HA 0.214 4.517 4.350 -0.080 0.000 0.211 49 E C -1.183 175.411 176.600 -0.010 0.000 0.975 49 E CA -0.377 55.978 56.400 -0.076 0.000 1.211 49 E CB 1.502 31.128 29.700 -0.124 0.000 1.052 49 E HN -0.219 7.935 8.360 -0.003 0.205 0.487 50 L N -0.911 120.321 121.223 0.014 0.000 2.467 50 L HA 0.191 4.539 4.340 0.014 0.000 0.213 50 L C -0.021 176.852 176.870 0.006 0.000 1.053 50 L CA 0.486 55.337 54.840 0.018 0.000 0.847 50 L CB 1.841 43.923 42.059 0.038 0.000 1.075 50 L HN -0.705 7.415 8.230 0.020 0.121 0.479 51 S N -1.584 114.119 115.700 0.006 0.000 2.664 51 S HA 0.171 4.640 4.470 -0.002 0.000 0.262 51 S C -0.860 173.738 174.600 -0.004 0.000 1.229 51 S CA -0.633 57.568 58.200 0.001 0.000 1.151 51 S CB 0.479 63.683 63.200 0.006 0.000 1.054 51 S HN -0.762 7.554 8.310 0.010 0.000 0.483 52 R N 6.182 126.677 120.500 -0.009 0.000 3.073 52 R HA -0.205 4.126 4.340 -0.015 0.000 0.290 52 R C -0.018 176.277 176.300 -0.008 0.000 1.130 52 R CA 1.089 57.182 56.100 -0.012 0.000 1.186 52 R CB 0.657 30.950 30.300 -0.012 0.000 1.166 52 R HN 0.357 8.622 8.270 -0.009 0.000 0.563 53 R N -1.820 118.675 120.500 -0.009 0.000 3.819 53 R HA -0.375 3.961 4.340 -0.006 0.000 0.488 53 R C -1.077 175.220 176.300 -0.004 0.000 0.241 53 R CA 1.112 57.209 56.100 -0.006 0.000 1.530 53 R CB 0.016 30.312 30.300 -0.005 0.000 1.019 53 R HN 0.163 8.426 8.270 -0.011 0.000 0.557 54 R N -0.476 120.022 120.500 -0.002 0.000 2.924 54 R HA -0.079 4.261 4.340 0.000 0.000 0.272 54 R C -0.136 176.165 176.300 0.002 0.000 1.012 54 R CA 0.871 56.971 56.100 -0.000 0.000 1.171 54 R CB 0.291 30.591 30.300 -0.000 0.000 1.086 54 R HN -0.054 8.214 8.270 -0.003 0.000 0.489 55 I N -0.341 120.231 120.570 0.004 0.000 2.722 55 I HA 0.250 4.424 4.170 0.006 0.000 0.292 55 I C -1.450 174.672 176.117 0.009 0.000 1.267 55 I CA -0.389 60.915 61.300 0.008 0.000 1.036 55 I CB 2.605 40.611 38.000 0.011 0.000 1.281 55 I HN 0.048 8.261 8.210 0.004 0.000 0.423 56 R N 6.293 126.799 120.500 0.009 0.000 2.411 56 R HA 0.244 4.589 4.340 0.009 0.000 0.176 56 R C -0.116 176.191 176.300 0.012 0.000 1.072 56 R CA 0.439 56.544 56.100 0.009 0.000 1.132 56 R CB 1.067 31.371 30.300 0.006 0.000 1.203 56 R HN 0.378 8.653 8.270 0.009 0.000 0.537 57 S N -2.837 112.870 115.700 0.012 0.000 2.952 57 S HA 0.300 4.781 4.470 0.018 0.000 0.238 57 S C -1.300 173.308 174.600 0.013 0.000 0.780 57 S CA 0.161 58.369 58.200 0.014 0.000 1.150 57 S CB 1.308 64.515 63.200 0.011 0.000 1.320 57 S HN -0.278 8.038 8.310 0.010 0.000 0.540 58 I N -5.405 115.172 120.570 0.012 0.000 4.013 58 I HA -0.460 3.714 4.170 0.006 0.000 0.126 58 I C -1.254 174.866 176.117 0.005 0.000 1.122 58 I CA 1.109 62.414 61.300 0.009 0.000 2.729 58 I CB -1.783 36.225 38.000 0.014 0.000 1.642 58 I HN -0.030 8.187 8.210 0.012 0.000 0.341 59 N N -0.519 118.183 118.700 0.004 0.000 2.453 59 N HA -0.224 4.518 4.740 0.003 0.000 0.183 59 N C 0.176 175.685 175.510 -0.002 0.000 1.041 59 N CA 1.503 54.554 53.050 0.002 0.000 0.900 59 N CB -0.067 38.422 38.487 0.002 0.000 0.961 59 N HN -0.115 8.244 8.380 0.005 0.024 0.443 60 K N -2.846 117.552 120.400 -0.003 0.000 2.437 60 K HA 0.027 4.343 4.320 -0.007 0.000 0.198 60 K C -0.763 175.831 176.600 -0.009 0.000 1.024 60 K CA -0.008 56.276 56.287 -0.006 0.000 1.148 60 K CB -0.197 32.300 32.500 -0.005 0.000 0.860 60 K HN -0.378 7.822 8.250 -0.001 0.049 0.515 61 L N -1.262 119.956 121.223 -0.009 0.000 2.675 61 L HA 0.249 4.579 4.340 -0.016 0.000 0.178 61 L C -0.611 176.248 176.870 -0.019 0.000 1.135 61 L CA 0.457 55.289 54.840 -0.014 0.000 0.855 61 L CB 2.678 44.731 42.059 -0.009 0.000 1.235 61 L HN -0.410 7.629 8.230 -0.006 0.187 0.499 62 I N -8.276 112.285 120.570 -0.015 0.000 2.586 62 I HA 0.293 4.592 4.170 -0.025 -0.144 0.288 62 I C -2.131 173.980 176.117 -0.010 0.000 1.147 62 I CA -1.120 60.168 61.300 -0.019 0.000 1.047 62 I CB 2.611 40.595 38.000 -0.027 0.000 1.244 62 I HN -0.820 7.385 8.210 -0.009 0.000 0.429 63 R N 7.190 127.683 120.500 -0.010 0.000 2.921 63 R HA 0.148 4.490 4.340 0.002 0.000 0.269 63 R C -1.364 174.934 176.300 -0.004 0.000 1.696 63 R CA -0.667 55.432 56.100 -0.003 0.000 1.161 63 R CB 1.621 31.920 30.300 -0.002 0.000 1.337 63 R HN 0.229 8.489 8.270 -0.016 0.000 0.496 64 I N 1.463 122.032 120.570 -0.002 0.000 3.642 64 I HA -0.407 3.763 4.170 -0.001 0.000 0.126 64 I C 0.504 176.617 176.117 -0.006 0.000 1.001 64 I CA 1.195 62.494 61.300 -0.001 0.000 2.743 64 I CB -1.497 36.506 38.000 0.006 0.000 1.244 64 I HN 0.401 8.612 8.210 0.001 0.000 0.343 65 G N 2.076 110.867 108.800 -0.014 0.000 2.198 65 G HA2 -0.317 3.633 3.960 -0.017 0.000 0.156 65 G HA3 -0.317 3.636 3.960 -0.011 0.000 0.156 65 G C -1.355 173.530 174.900 -0.024 0.000 1.012 65 G CA -0.293 44.797 45.100 -0.016 0.000 0.692 65 G HN 0.316 8.595 8.290 -0.018 0.000 0.492 66 R N 0.735 121.218 120.500 -0.028 0.000 2.412 66 R HA 0.183 4.502 4.340 -0.034 0.000 0.304 66 R C -1.696 174.576 176.300 -0.047 0.000 1.066 66 R CA -1.346 54.734 56.100 -0.034 0.000 0.923 66 R CB 1.257 31.541 30.300 -0.026 0.000 1.156 66 R HN -0.200 8.054 8.270 -0.027 0.000 0.513 67 N N 4.828 123.492 118.700 -0.059 0.000 2.515 67 N HA 0.185 4.988 4.740 -0.079 -0.111 0.279 67 N C -0.934 174.532 175.510 -0.073 0.000 1.164 67 N CA 0.107 53.111 53.050 -0.078 0.000 0.982 67 N CB 1.523 39.949 38.487 -0.101 0.000 1.170 67 N HN 0.395 8.740 8.380 -0.058 0.000 0.474 68 E N 2.700 122.853 120.200 -0.078 0.000 2.454 68 E HA 0.227 4.540 4.350 -0.062 0.000 0.279 68 E C -2.267 174.288 176.600 -0.074 0.000 1.029 68 E CA -0.970 55.390 56.400 -0.067 0.000 0.831 68 E CB 4.015 33.683 29.700 -0.054 0.000 1.405 68 E HN 0.396 8.704 8.360 -0.088 0.000 0.463 69 C N 1.847 121.109 119.300 -0.062 0.000 2.273 69 C HA 0.536 5.148 4.460 -0.072 -0.195 0.328 69 C C -1.389 173.566 174.990 -0.059 0.000 1.275 69 C CA -1.026 57.955 59.018 -0.062 0.000 1.704 69 C CB 0.839 28.549 27.740 -0.050 0.000 2.326 69 C HN 0.338 8.536 8.230 -0.053 0.000 0.517 70 V N 6.387 126.259 119.914 -0.070 0.000 3.141 70 V HA 0.250 4.339 4.120 -0.052 0.000 0.312 70 V C -2.522 173.528 176.094 -0.073 0.000 1.157 70 V CA -2.197 60.064 62.300 -0.066 0.000 1.041 70 V CB 3.935 35.713 31.823 -0.075 0.000 1.071 70 V HN 0.522 8.663 8.190 -0.081 0.000 0.441 71 K N 1.469 121.830 120.400 -0.064 0.000 2.270 71 K HA 0.689 5.186 4.320 -0.076 -0.222 0.255 71 K C -0.875 175.680 176.600 -0.075 0.000 0.936 71 K CA -2.872 53.376 56.287 -0.066 0.000 0.809 71 K CB 3.508 35.981 32.500 -0.044 0.000 1.131 71 K HN 0.013 8.232 8.250 -0.053 0.000 0.427 72 V N 6.920 126.775 119.914 -0.099 0.000 2.811 72 V HA 0.002 4.276 4.120 -0.133 -0.233 0.302 72 V C -0.068 175.995 176.094 -0.051 0.000 1.063 72 V CA 1.255 63.488 62.300 -0.113 0.000 1.088 72 V CB 0.571 32.294 31.823 -0.166 0.000 0.982 72 V HN 0.496 8.510 8.190 -0.105 0.113 0.485 73 I N 5.139 125.694 120.570 -0.026 0.000 4.139 73 I HA 0.099 4.277 4.170 0.015 0.000 0.320 73 I C -0.557 175.592 176.117 0.053 0.000 1.290 73 I CA -0.501 60.812 61.300 0.022 0.000 1.253 73 I CB 1.226 39.253 38.000 0.046 0.000 1.122 73 I HN 0.010 8.080 8.210 -0.044 0.114 0.421 74 R N -1.140 119.399 120.500 0.066 0.000 2.979 74 R HA 0.081 4.487 4.340 0.109 0.000 0.245 74 R C -2.297 174.119 176.300 0.194 0.000 1.104 74 R CA -0.143 56.036 56.100 0.131 0.000 1.056 74 R CB 3.278 33.675 30.300 0.162 0.000 1.265 74 R HN -0.709 7.574 8.270 0.022 0.000 0.470 75 V N 0.078 120.115 119.914 0.205 0.000 3.093 75 V HA 0.608 4.891 4.120 0.214 -0.035 0.320 75 V C -1.643 174.689 176.094 0.398 0.000 1.093 75 V CA -2.564 59.910 62.300 0.289 0.000 1.016 75 V CB 2.707 34.700 31.823 0.283 0.000 1.096 75 V HN 0.240 8.537 8.190 0.177 0.000 0.452 76 D N 0.659 121.352 120.400 0.488 0.000 2.308 76 D HA 0.198 4.951 4.640 0.189 0.000 0.242 76 D C -0.398 176.028 176.300 0.209 0.000 1.059 76 D CA -1.209 52.956 54.000 0.275 0.000 0.830 76 D CB 2.084 43.002 40.800 0.196 0.000 1.161 76 D HN -0.198 8.484 8.370 0.572 0.031 0.494 77 K N 5.390 125.872 120.400 0.137 0.000 2.426 77 K HA -0.085 4.307 4.320 0.119 0.000 0.193 77 K C 0.552 177.198 176.600 0.076 0.000 1.028 77 K CA 0.940 57.288 56.287 0.103 0.000 1.047 77 K CB 0.157 32.701 32.500 0.073 0.000 0.821 77 K HN 0.481 8.800 8.250 0.115 0.000 0.513 78 E N -1.841 118.400 120.200 0.068 0.000 2.418 78 E HA -0.192 4.178 4.350 0.033 0.000 0.197 78 E C 0.329 176.959 176.600 0.051 0.000 1.026 78 E CA 1.715 58.140 56.400 0.043 0.000 0.862 78 E CB 0.271 29.984 29.700 0.022 0.000 0.799 78 E HN -0.581 7.954 8.360 0.075 -0.130 0.518 79 K N -3.748 116.701 120.400 0.083 0.000 2.644 79 K HA 0.048 4.404 4.320 0.060 0.000 0.156 79 K C -0.989 175.690 176.600 0.131 0.000 1.957 79 K CA 0.408 56.747 56.287 0.086 0.000 1.331 79 K CB 2.481 35.030 32.500 0.081 0.000 2.145 79 K HN -0.733 7.515 8.250 0.108 0.067 0.574 80 G N 0.824 109.744 108.800 0.200 0.000 2.867 80 G HA2 -0.259 3.960 3.960 0.319 0.000 0.182 80 G HA3 -0.259 3.860 3.960 0.265 0.000 0.182 80 G C -2.427 172.676 174.900 0.339 0.000 1.029 80 G CA -0.132 45.141 45.100 0.287 0.000 1.093 80 G HN -0.291 8.121 8.290 0.203 0.000 0.585 81 Y N 0.339 120.741 120.300 0.171 0.000 2.602 81 Y HA 0.468 5.096 4.550 0.131 0.000 0.330 81 Y C -2.575 173.373 175.900 0.081 0.000 1.114 81 Y CA -2.535 55.640 58.100 0.125 0.000 1.182 81 Y CB 3.038 41.558 38.460 0.100 0.000 1.305 81 Y HN -0.679 7.941 8.280 0.446 -0.072 0.502 82 I N 1.366 121.167 120.570 -1.283 0.000 2.548 82 I HA 0.111 4.007 4.170 -0.611 -0.092 0.287 82 I C -2.148 173.282 176.117 -1.145 0.000 1.103 82 I CA -1.055 59.658 61.300 -0.979 0.000 1.049 82 I CB 3.847 41.463 38.000 -0.640 0.000 1.232 82 I HN 0.014 7.366 8.210 -1.430 0.000 0.429 83 D N 6.160 126.174 120.400 -0.642 0.000 2.339 83 D HA 0.238 4.939 4.640 -0.089 -0.114 0.245 83 D C -1.765 174.451 176.300 -0.141 0.000 1.115 83 D CA -0.337 53.566 54.000 -0.162 0.000 0.917 83 D CB 2.529 43.423 40.800 0.157 0.000 1.192 83 D HN 0.559 8.588 8.370 -0.362 0.124 0.428 84 L N 1.804 122.993 121.223 -0.057 0.000 2.422 84 L HA 0.329 4.748 4.340 -0.090 -0.133 0.264 84 L C -1.799 175.074 176.870 0.004 0.000 0.984 84 L CA -0.271 54.531 54.840 -0.063 0.000 0.819 84 L CB 4.948 46.945 42.059 -0.104 0.000 1.330 84 L HN 0.271 8.506 8.230 0.008 0.000 0.410 85 S N -0.539 115.156 115.700 -0.009 0.000 2.537 85 S HA 0.393 4.879 4.470 0.027 0.000 0.270 85 S C -1.570 173.023 174.600 -0.012 0.000 1.142 85 S CA -0.229 57.977 58.200 0.010 0.000 0.870 85 S CB 3.273 66.487 63.200 0.023 0.000 1.112 85 S HN 0.172 8.462 8.310 -0.034 0.000 0.466 86 K N 3.909 124.303 120.400 -0.009 0.000 2.329 86 K HA 0.174 4.478 4.320 -0.025 0.000 0.198 86 K C -0.083 176.507 176.600 -0.015 0.000 1.085 86 K CA -0.557 55.719 56.287 -0.018 0.000 0.961 86 K CB 0.941 33.431 32.500 -0.017 0.000 0.971 86 K HN 0.599 8.848 8.250 -0.000 0.000 0.502 87 R N -2.887 117.606 120.500 -0.011 0.000 3.591 87 R HA -0.351 3.982 4.340 -0.012 0.000 0.268 87 R C -1.228 175.064 176.300 -0.014 0.000 1.102 87 R CA 0.914 57.006 56.100 -0.012 0.000 0.732 87 R CB -1.456 28.837 30.300 -0.012 0.000 1.117 87 R HN 0.024 8.289 8.270 -0.008 0.000 0.472 88 R N -3.961 116.530 120.500 -0.014 0.000 2.983 88 R HA -0.257 4.073 4.340 -0.015 0.000 0.272 88 R C -0.926 175.363 176.300 -0.017 0.000 0.926 88 R CA 0.596 56.687 56.100 -0.015 0.000 0.667 88 R CB -1.245 29.047 30.300 -0.013 0.000 1.540 88 R HN -0.065 8.161 8.270 -0.014 0.036 0.467 89 V N 0.150 120.052 119.914 -0.020 0.000 3.237 89 V HA -0.078 4.029 4.120 -0.022 0.000 0.305 89 V C -1.581 174.501 176.094 -0.021 0.000 1.096 89 V CA 0.023 62.309 62.300 -0.022 0.000 1.130 89 V CB 1.305 33.111 31.823 -0.027 0.000 1.048 89 V HN -0.016 8.161 8.190 -0.021 0.000 0.484 90 S N 1.957 117.645 115.700 -0.022 0.000 2.687 90 S HA 0.456 4.915 4.470 -0.018 0.000 0.283 90 S C -1.273 173.314 174.600 -0.021 0.000 1.170 90 S CA -2.221 55.967 58.200 -0.020 0.000 1.008 90 S CB 0.994 64.183 63.200 -0.020 0.000 1.026 90 S HN -0.127 8.169 8.310 -0.023 0.000 0.541 91 P HA -0.044 4.364 4.420 -0.019 0.000 0.223 91 P C 1.207 178.496 177.300 -0.019 0.000 1.151 91 P CA 1.968 65.057 63.100 -0.018 0.000 0.787 91 P CB 0.398 32.089 31.700 -0.016 0.000 0.788 92 E N -1.926 118.261 120.200 -0.021 0.000 2.110 92 E HA -0.276 4.060 4.350 -0.023 0.000 0.193 92 E C 2.461 179.044 176.600 -0.029 0.000 0.988 92 E CA 3.809 60.194 56.400 -0.025 0.000 0.804 92 E CB -0.597 29.087 29.700 -0.026 0.000 0.745 92 E HN 0.485 8.802 8.360 -0.020 0.030 0.458 93 E N -0.177 120.005 120.200 -0.029 0.000 2.046 93 E HA -0.258 4.069 4.350 -0.037 0.000 0.190 93 E C 1.908 178.492 176.600 -0.027 0.000 0.982 93 E CA 2.916 59.297 56.400 -0.032 0.000 0.800 93 E CB -0.440 29.241 29.700 -0.032 0.000 0.756 93 E HN -0.728 7.608 8.360 -0.027 0.008 0.449 94 A N -0.895 121.910 122.820 -0.025 0.000 2.076 94 A HA -0.167 4.137 4.320 -0.026 0.000 0.220 94 A C 2.256 179.833 177.584 -0.012 0.000 1.160 94 A CA 2.596 54.620 52.037 -0.022 0.000 0.653 94 A CB -0.500 18.485 19.000 -0.025 0.000 0.801 94 A HN -0.446 7.689 8.150 -0.025 0.000 0.455 95 I N -1.240 119.324 120.570 -0.010 0.000 2.585 95 I HA -0.272 3.902 4.170 0.007 0.000 0.254 95 I C 1.357 177.482 176.117 0.014 0.000 1.129 95 I CA 1.092 62.393 61.300 0.002 0.000 1.455 95 I CB -0.151 37.846 38.000 -0.005 0.000 1.111 95 I HN -0.186 7.862 8.210 -0.016 0.152 0.433 96 K N 1.334 121.729 120.400 -0.009 0.000 2.147 96 K HA -0.290 4.006 4.320 -0.040 0.000 0.205 96 K C 2.129 178.744 176.600 0.024 0.000 1.049 96 K CA 3.571 59.842 56.287 -0.026 0.000 0.936 96 K CB -0.680 31.779 32.500 -0.067 0.000 0.722 96 K HN -0.312 7.839 8.250 -0.021 0.087 0.446 97 C N -2.025 117.291 119.300 0.026 0.000 2.505 97 C HA -0.253 4.249 4.460 0.070 0.000 0.279 97 C C 1.478 176.530 174.990 0.103 0.000 1.316 97 C CA 4.391 63.443 59.018 0.057 0.000 1.720 97 C CB 0.197 27.946 27.740 0.015 0.000 2.050 97 C HN -0.137 8.076 8.230 0.006 0.021 0.493 98 E N 0.706 120.946 120.200 0.066 0.000 2.097 98 E HA -0.362 4.017 4.350 0.050 0.000 0.196 98 E C 1.980 178.656 176.600 0.127 0.000 1.000 98 E CA 3.579 60.020 56.400 0.070 0.000 0.804 98 E CB -0.291 29.428 29.700 0.032 0.000 0.740 98 E HN -0.574 7.808 8.360 0.037 0.000 0.454 99 D N -1.184 119.306 120.400 0.150 0.000 2.137 99 D HA -0.099 4.600 4.640 0.099 0.000 0.202 99 D C 1.792 178.242 176.300 0.250 0.000 0.970 99 D CA 3.002 57.114 54.000 0.187 0.000 0.837 99 D CB -0.384 40.596 40.800 0.300 0.000 0.981 99 D HN -0.405 8.035 8.370 0.131 0.009 0.475 100 K N 1.249 121.855 120.400 0.344 0.000 2.074 100 K HA -0.328 4.279 4.320 0.477 0.000 0.209 100 K C 2.029 178.782 176.600 0.255 0.000 1.048 100 K CA 3.373 59.857 56.287 0.328 0.000 0.926 100 K CB -0.110 32.521 32.500 0.219 0.000 0.713 100 K HN -0.576 7.779 8.250 0.288 0.068 0.444 101 F N -1.636 118.404 119.950 0.150 0.000 2.416 101 F HA -0.019 4.758 4.527 0.415 0.000 0.296 101 F C 1.578 177.501 175.800 0.206 0.000 1.099 101 F CA 2.808 60.938 58.000 0.217 0.000 1.427 101 F CB 0.541 39.564 39.000 0.037 0.000 1.079 101 F HN -0.100 8.415 8.300 0.368 0.005 0.536 102 T N 3.379 118.136 114.554 0.339 0.000 2.684 102 T HA -0.518 3.991 4.350 0.265 0.000 0.267 102 T C 1.752 176.545 174.700 0.155 0.000 1.036 102 T CA 5.811 68.038 62.100 0.212 0.000 1.148 102 T CB -0.134 68.786 68.868 0.087 0.000 0.863 102 T HN -0.235 8.086 8.240 0.288 0.092 0.436 103 K N 0.452 120.868 120.400 0.026 0.000 2.116 103 K HA -0.154 4.314 4.320 0.247 0.000 0.203 103 K C 2.144 178.901 176.600 0.262 0.000 1.052 103 K CA 3.276 59.617 56.287 0.089 0.000 0.952 103 K CB 0.096 32.331 32.500 -0.442 0.000 0.729 103 K HN 0.056 8.292 8.250 -0.023 0.000 0.446 104 S N -0.759 115.021 115.700 0.134 0.000 2.447 104 S HA -0.236 4.296 4.470 0.104 0.000 0.233 104 S C 1.538 175.958 174.600 -0.300 0.000 1.006 104 S CA 3.585 61.800 58.200 0.025 0.000 0.957 104 S CB -0.171 63.077 63.200 0.080 0.000 0.773 104 S HN -0.265 8.123 8.310 0.128 0.000 0.507 105 K N 2.169 122.584 120.400 0.026 0.000 2.098 105 K HA -0.169 4.170 4.320 0.032 0.000 0.203 105 K C 1.708 178.450 176.600 0.237 0.000 1.051 105 K CA 3.301 59.704 56.287 0.193 0.000 0.957 105 K CB -0.042 32.774 32.500 0.528 0.000 0.738 105 K HN 0.370 8.499 8.250 0.185 0.232 0.447 106 T N 3.751 118.434 114.554 0.215 0.000 2.674 106 T HA -0.397 4.070 4.350 0.196 0.000 0.265 106 T C 1.808 176.551 174.700 0.071 0.000 1.039 106 T CA 4.864 67.073 62.100 0.181 0.000 1.150 106 T CB -0.051 68.978 68.868 0.267 0.000 0.864 106 T HN -0.417 7.967 8.240 0.239 0.000 0.427 107 V N 1.326 121.214 119.914 -0.044 0.000 2.407 107 V HA -0.373 3.713 4.120 -0.058 0.000 0.248 107 V C 0.776 176.766 176.094 -0.173 0.000 1.055 107 V CA 2.860 65.071 62.300 -0.148 0.000 1.049 107 V CB -0.592 31.003 31.823 -0.381 0.000 0.662 107 V HN -0.340 7.850 8.190 0.000 0.000 0.455 108 Y N 1.031 121.087 120.300 -0.406 0.000 2.128 108 Y HA -0.440 3.515 4.550 -0.991 0.000 0.284 108 Y C 1.570 177.553 175.900 0.138 0.000 1.154 108 Y CA 3.420 61.246 58.100 -0.457 0.000 1.149 108 Y CB -0.395 37.654 38.460 -0.684 0.000 0.976 108 Y HN -0.464 7.550 8.280 -0.135 0.185 0.505 109 S N 0.299 116.202 115.700 0.338 0.000 2.387 109 S HA -0.363 4.202 4.470 0.157 0.000 0.226 109 S C 2.222 176.909 174.600 0.145 0.000 1.026 109 S CA 4.211 62.565 58.200 0.257 0.000 0.972 109 S CB -0.149 63.272 63.200 0.369 0.000 0.814 109 S HN 0.348 8.837 8.310 0.488 0.114 0.477 110 I N 2.883 123.513 120.570 0.100 0.000 2.208 110 I HA -0.453 3.742 4.170 0.041 0.000 0.245 110 I C 1.960 178.114 176.117 0.063 0.000 1.097 110 I CA 4.613 65.942 61.300 0.049 0.000 1.363 110 I CB -0.151 37.846 38.000 -0.005 0.000 1.051 110 I HN 0.519 8.602 8.210 0.097 0.186 0.413 111 L N -1.548 119.732 121.223 0.095 0.000 2.156 111 L HA -0.393 3.978 4.340 0.052 0.000 0.208 111 L C 1.542 178.456 176.870 0.073 0.000 1.095 111 L CA 3.531 58.446 54.840 0.125 0.000 0.770 111 L CB -0.347 41.901 42.059 0.315 0.000 0.914 111 L HN -0.043 8.238 8.230 0.091 0.004 0.439 112 R N -0.661 119.869 120.500 0.050 0.000 2.091 112 R HA -0.464 3.773 4.340 -0.172 0.000 0.238 112 R C 2.240 178.539 176.300 -0.002 0.000 1.136 112 R CA 3.954 60.015 56.100 -0.065 0.000 0.959 112 R CB -0.194 30.054 30.300 -0.086 0.000 0.856 112 R HN -0.353 7.883 8.270 0.092 0.088 0.437 113 H N -0.706 118.358 119.070 -0.011 0.000 2.363 113 H HA -0.213 4.344 4.556 0.002 0.000 0.301 113 H C 2.282 177.593 175.328 -0.030 0.000 1.074 113 H CA 3.877 59.920 56.048 -0.007 0.000 1.354 113 H CB 0.355 30.118 29.762 0.002 0.000 1.397 113 H HN -0.074 8.314 8.280 0.188 0.005 0.516 114 V N -0.899 119.081 119.914 0.109 0.000 2.332 114 V HA -0.551 3.581 4.120 0.021 0.000 0.248 114 V C 1.953 178.013 176.094 -0.056 0.000 1.055 114 V CA 4.299 66.602 62.300 0.006 0.000 1.038 114 V CB -0.717 31.081 31.823 -0.042 0.000 0.651 114 V HN -0.385 7.810 8.190 0.115 0.065 0.450 115 A N -1.525 121.263 122.820 -0.054 0.000 1.968 115 A HA -0.264 3.956 4.320 -0.167 0.000 0.217 115 A C 1.576 179.165 177.584 0.009 0.000 1.169 115 A CA 2.967 54.983 52.037 -0.035 0.000 0.638 115 A CB -0.690 18.347 19.000 0.061 0.000 0.812 115 A HN 0.287 8.413 8.150 -0.028 0.007 0.446 116 E N -1.062 119.111 120.200 -0.045 0.000 2.204 116 E HA -0.207 4.109 4.350 -0.056 0.000 0.195 116 E C 2.152 178.714 176.600 -0.064 0.000 0.990 116 E CA 3.012 59.357 56.400 -0.091 0.000 0.821 116 E CB 0.223 29.768 29.700 -0.258 0.000 0.750 116 E HN -0.281 7.916 8.360 -0.056 0.129 0.477 117 V N -4.970 114.921 119.914 -0.038 0.000 2.992 117 V HA -0.078 4.033 4.120 -0.014 0.000 0.250 117 V C 0.619 176.702 176.094 -0.018 0.000 1.090 117 V CA 2.016 64.308 62.300 -0.012 0.000 1.101 117 V CB 0.047 31.885 31.823 0.025 0.000 0.743 117 V HN -0.330 7.820 8.190 -0.030 0.022 0.468 118 L N -1.657 119.541 121.223 -0.041 0.000 2.627 118 L HA 0.057 4.370 4.340 -0.045 0.000 0.232 118 L C -0.683 176.204 176.870 0.028 0.000 1.150 118 L CA -0.380 54.425 54.840 -0.059 0.000 0.917 118 L CB -0.188 41.757 42.059 -0.190 0.000 1.104 118 L HN -0.715 7.401 8.230 -0.055 0.082 0.445 119 E N -4.061 116.174 120.200 0.059 0.000 2.326 119 E HA -0.373 4.015 4.350 0.062 0.000 0.195 119 E C -1.535 175.221 176.600 0.261 0.000 1.367 119 E CA 0.908 57.372 56.400 0.107 0.000 0.666 119 E CB -1.804 27.944 29.700 0.080 0.000 1.147 119 E HN -0.414 7.849 8.360 0.023 0.110 0.384 120 Y N 0.889 121.156 120.300 -0.056 0.000 2.480 120 Y HA 0.158 4.676 4.550 -0.054 0.000 0.356 120 Y C -1.295 174.559 175.900 -0.075 0.000 0.922 120 Y CA -1.356 56.705 58.100 -0.065 0.000 1.146 120 Y CB 0.698 39.111 38.460 -0.077 0.000 1.185 120 Y HN 0.228 8.537 8.280 0.182 0.080 0.624 121 T N -0.265 114.276 114.554 -0.021 0.000 3.258 121 T HA 0.090 4.414 4.350 -0.043 0.000 0.259 121 T C 0.092 174.743 174.700 -0.080 0.000 0.963 121 T CA -0.643 61.430 62.100 -0.045 0.000 0.919 121 T CB -1.117 67.738 68.868 -0.022 0.000 1.110 121 T HN -0.041 8.193 8.240 -0.011 0.000 0.550 122 K N 1.940 122.250 120.400 -0.149 0.000 2.577 122 K HA 0.107 4.369 4.320 -0.097 0.000 0.210 122 K C -0.503 176.026 176.600 -0.119 0.000 1.048 122 K CA -0.324 55.878 56.287 -0.142 0.000 1.188 122 K CB -0.020 32.352 32.500 -0.213 0.000 0.910 122 K HN -0.282 7.754 8.250 -0.220 0.083 0.483 123 D N -1.773 118.571 120.400 -0.094 0.000 4.565 123 D HA -0.475 4.142 4.640 -0.039 0.000 0.225 123 D C 1.059 177.312 176.300 -0.078 0.000 0.678 123 D CA 3.650 57.615 54.000 -0.058 0.000 1.701 123 D CB -1.009 39.777 40.800 -0.024 0.000 1.028 123 D HN 0.096 8.315 8.370 -0.089 0.099 0.400 124 E N 0.737 120.894 120.200 -0.072 0.000 2.171 124 E HA -0.405 4.141 4.350 -0.018 -0.207 0.197 124 E C 2.218 178.752 176.600 -0.109 0.000 0.997 124 E CA 2.604 58.967 56.400 -0.061 0.000 0.810 124 E CB 0.039 29.704 29.700 -0.058 0.000 0.738 124 E HN -0.089 8.214 8.360 -0.065 0.018 0.467 125 Q N -2.017 117.651 119.800 -0.220 0.000 1.975 125 Q HA -0.326 3.815 4.340 -0.331 0.000 0.205 125 Q C 2.099 178.013 176.000 -0.143 0.000 0.990 125 Q CA 3.236 58.809 55.803 -0.384 0.000 0.845 125 Q CB -0.507 27.700 28.738 -0.885 0.000 0.913 125 Q HN -0.707 7.303 8.270 -0.228 0.122 0.420 126 L N 0.247 121.381 121.223 -0.147 0.000 2.043 126 L HA -0.352 3.954 4.340 -0.057 0.000 0.212 126 L C 1.889 178.509 176.870 -0.416 0.000 1.075 126 L CA 3.207 57.908 54.840 -0.231 0.000 0.752 126 L CB -0.447 41.402 42.059 -0.350 0.000 0.891 126 L HN 0.078 8.188 8.230 -0.200 0.000 0.432 127 E N -3.214 116.846 120.200 -0.234 0.000 2.268 127 E HA -0.362 4.004 4.350 0.027 0.000 0.195 127 E C 2.131 178.823 176.600 0.153 0.000 0.995 127 E CA 2.872 59.274 56.400 0.003 0.000 0.836 127 E CB -0.416 29.337 29.700 0.089 0.000 0.763 127 E HN -0.060 8.189 8.360 -0.171 0.008 0.491 128 S N 0.920 116.667 115.700 0.078 0.000 2.371 128 S HA -0.215 4.327 4.470 0.119 0.000 0.224 128 S C 1.916 176.613 174.600 0.162 0.000 1.029 128 S CA 3.364 61.632 58.200 0.114 0.000 0.978 128 S CB 0.375 63.615 63.200 0.066 0.000 0.833 128 S HN -0.197 7.865 8.310 0.006 0.252 0.466 129 L N 2.232 123.558 121.223 0.173 0.000 2.093 129 L HA -0.264 4.153 4.340 0.129 0.000 0.208 129 L C 2.008 179.024 176.870 0.243 0.000 1.085 129 L CA 2.622 57.563 54.840 0.167 0.000 0.755 129 L CB -1.505 40.636 42.059 0.136 0.000 0.904 129 L HN -0.015 8.306 8.230 0.152 0.000 0.435 130 F N -2.419 117.570 119.950 0.065 0.000 2.065 130 F HA -0.437 3.953 4.527 -0.228 0.000 0.298 130 F C 2.031 177.903 175.800 0.120 0.000 1.112 130 F CA 2.666 60.685 58.000 0.032 0.000 1.212 130 F CB -0.753 38.462 39.000 0.359 0.000 0.975 130 F HN 0.118 8.596 8.300 0.312 0.009 0.476 131 Q N -4.085 116.002 119.800 0.479 0.000 2.451 131 Q HA -0.127 4.450 4.340 0.394 0.000 0.206 131 Q C 1.056 177.126 176.000 0.117 0.000 0.947 131 Q CA 1.732 57.717 55.803 0.304 0.000 0.937 131 Q CB -0.287 28.583 28.738 0.219 0.000 1.025 131 Q HN -0.373 8.179 8.270 0.469 0.000 0.511 132 R N -3.472 117.086 120.500 0.097 0.000 2.362 132 R HA 0.150 4.488 4.340 -0.004 0.000 0.227 132 R C -0.058 176.229 176.300 -0.022 0.000 0.905 132 R CA -0.156 55.958 56.100 0.023 0.000 1.067 132 R CB 0.459 30.786 30.300 0.045 0.000 1.078 132 R HN -0.437 7.713 8.270 0.150 0.210 0.516 133 T N -1.497 113.046 114.554 -0.018 0.000 3.560 133 T HA 0.188 4.501 4.350 -0.061 0.000 0.217 133 T C -0.179 174.529 174.700 0.013 0.000 0.934 133 T CA 1.530 63.636 62.100 0.010 0.000 1.074 133 T CB 1.778 70.703 68.868 0.096 0.000 1.156 133 T HN -0.511 7.667 8.240 -0.011 0.055 0.342 134 A N 2.826 125.543 122.820 -0.172 0.000 1.877 134 A HA -0.231 3.538 4.320 -0.917 0.000 0.216 134 A C 1.364 178.584 177.584 -0.607 0.000 1.186 134 A CA 3.175 54.762 52.037 -0.750 0.000 0.620 134 A CB -0.433 17.752 19.000 -1.358 0.000 0.822 134 A HN 0.246 8.309 8.150 -0.146 0.000 0.443 135 W N -5.038 116.209 121.300 -0.089 0.000 2.770 135 W HA -0.107 4.604 4.660 0.084 0.000 0.256 135 W C 2.072 178.481 176.519 -0.183 0.000 1.291 135 W CA 0.734 58.005 57.345 -0.124 0.000 1.396 135 W CB -0.066 29.203 29.460 -0.320 0.000 1.114 135 W HN 0.030 7.793 8.180 -0.695 0.000 0.637 136 V N 0.067 119.973 119.914 -0.013 0.000 2.379 136 V HA -0.412 3.639 4.120 -0.115 0.000 0.245 136 V C 1.938 177.929 176.094 -0.172 0.000 1.044 136 V CA 3.088 65.311 62.300 -0.129 0.000 1.036 136 V CB -0.736 30.959 31.823 -0.212 0.000 0.664 136 V HN -0.367 7.643 8.190 -0.052 0.149 0.453 137 F N -0.054 119.807 119.950 -0.149 0.000 2.163 137 F HA -0.393 3.865 4.527 -0.449 0.000 0.297 137 F C 1.679 177.105 175.800 -0.623 0.000 1.094 137 F CA 3.126 60.918 58.000 -0.347 0.000 1.290 137 F CB -0.418 38.577 39.000 -0.007 0.000 1.017 137 F HN -0.329 7.970 8.300 -0.002 0.000 0.483 138 D N -1.081 119.380 120.400 0.101 0.000 2.158 138 D HA -0.353 4.488 4.640 0.334 0.000 0.197 138 D C 2.394 178.780 176.300 0.143 0.000 0.995 138 D CA 4.222 58.376 54.000 0.256 0.000 0.846 138 D CB -0.357 40.820 40.800 0.630 0.000 0.941 138 D HN -0.587 7.890 8.370 0.178 0.000 0.456 139 D N -2.849 117.607 120.400 0.094 0.000 2.323 139 D HA -0.143 4.591 4.640 0.156 0.000 0.209 139 D C 0.620 176.864 176.300 -0.092 0.000 0.973 139 D CA 2.320 56.356 54.000 0.060 0.000 0.874 139 D CB 0.477 41.292 40.800 0.026 0.000 0.930 139 D HN -0.588 7.817 8.370 0.078 0.012 0.521 140 K N -1.737 118.481 120.400 -0.302 0.000 2.057 140 K HA -0.189 4.044 4.320 -0.147 0.000 0.207 140 K C 1.141 177.600 176.600 -0.235 0.000 1.049 140 K CA 1.920 58.005 56.287 -0.336 0.000 0.931 140 K CB 0.227 32.435 32.500 -0.486 0.000 0.714 140 K HN -0.743 7.113 8.250 -0.355 0.181 0.440 141 Y N -7.165 113.239 120.300 0.172 0.000 2.584 141 Y HA 0.157 4.772 4.550 0.109 0.000 0.254 141 Y C -1.630 174.336 175.900 0.109 0.000 1.177 141 Y CA -2.545 55.630 58.100 0.125 0.000 1.216 141 Y CB -0.636 37.891 38.460 0.112 0.000 1.172 141 Y HN -0.635 7.043 8.280 -1.002 0.000 0.529 142 K N -1.933 118.559 120.400 0.154 0.000 3.393 142 K HA -0.351 4.044 4.320 0.125 0.000 0.272 142 K C -1.093 175.606 176.600 0.165 0.000 1.004 142 K CA 1.244 57.615 56.287 0.141 0.000 0.764 142 K CB -1.710 30.857 32.500 0.112 0.000 1.373 142 K HN -0.617 7.464 8.250 0.057 0.203 0.458 143 R N -1.517 119.110 120.500 0.212 0.000 2.628 143 R HA 0.527 4.946 4.340 0.132 0.000 0.288 143 R C -2.248 174.140 176.300 0.146 0.000 0.980 143 R CA -3.802 52.417 56.100 0.199 0.000 0.891 143 R CB 1.585 32.077 30.300 0.321 0.000 1.188 143 R HN 0.606 8.896 8.270 0.230 0.118 0.450 144 P HA 0.085 4.322 4.420 -0.304 0.000 0.230 144 P C -0.187 177.151 177.300 0.063 0.000 1.791 144 P CA -0.048 63.003 63.100 -0.082 0.000 1.020 144 P CB -1.302 30.347 31.700 -0.085 0.000 1.977 145 G N 2.660 111.573 108.800 0.189 0.000 2.640 145 G HA2 -0.476 4.110 3.960 0.577 0.000 0.226 145 G HA3 -0.476 3.656 3.960 0.288 0.000 0.226 145 G C 0.500 175.559 174.900 0.264 0.000 1.222 145 G CA 1.099 46.403 45.100 0.340 0.000 0.729 145 G HN 0.455 8.929 8.290 0.213 -0.056 0.516 146 Y N 5.043 125.406 120.300 0.105 0.000 2.151 146 Y HA -0.437 4.130 4.550 0.029 0.000 0.284 146 Y C 1.281 177.238 175.900 0.095 0.000 1.166 146 Y CA 4.651 62.788 58.100 0.062 0.000 1.163 146 Y CB -0.300 38.169 38.460 0.016 0.000 0.974 146 Y HN -0.527 7.921 8.280 0.440 0.096 0.511 147 G N -3.141 105.853 108.800 0.323 0.000 2.484 147 G HA2 -0.506 3.515 3.960 0.102 0.000 0.215 147 G HA3 -0.506 3.835 3.960 0.635 0.000 0.215 147 G C 0.437 175.500 174.900 0.272 0.000 1.219 147 G CA 1.630 46.920 45.100 0.316 0.000 0.791 147 G HN 0.001 8.538 8.290 0.359 -0.031 0.550 148 A N 3.439 126.450 122.820 0.318 0.000 1.927 148 A HA -0.322 4.044 4.320 0.076 0.000 0.220 148 A C 1.748 179.123 177.584 -0.348 0.000 1.185 148 A CA 2.491 54.475 52.037 -0.089 0.000 0.639 148 A CB -0.716 18.077 19.000 -0.345 0.000 0.820 148 A HN -0.141 8.605 8.150 0.361 -0.379 0.451 149 Y N -0.752 119.375 120.300 -0.288 0.000 2.049 149 Y HA -0.506 3.928 4.550 -0.194 0.000 0.277 149 Y C 1.868 177.691 175.900 -0.127 0.000 1.143 149 Y CA 3.794 61.767 58.100 -0.212 0.000 1.115 149 Y CB -0.148 38.171 38.460 -0.234 0.000 0.975 149 Y HN -0.225 8.073 8.280 0.042 0.007 0.487 150 D N -1.670 118.835 120.400 0.176 0.000 2.149 150 D HA -0.490 4.177 4.640 0.045 0.000 0.194 150 D C 2.231 178.469 176.300 -0.102 0.000 1.001 150 D CA 3.452 57.448 54.000 -0.006 0.000 0.849 150 D CB 0.079 40.809 40.800 -0.116 0.000 0.939 150 D HN -0.537 7.918 8.370 0.142 0.000 0.449 151 A N -1.514 121.204 122.820 -0.171 0.000 1.969 151 A HA -0.298 3.884 4.320 -0.230 0.000 0.218 151 A C 1.824 179.404 177.584 -0.007 0.000 1.169 151 A CA 2.852 54.751 52.037 -0.231 0.000 0.635 151 A CB -0.516 18.208 19.000 -0.460 0.000 0.810 151 A HN 0.219 8.260 8.150 -0.177 0.002 0.445 152 F N -4.385 115.427 119.950 -0.229 0.000 2.502 152 F HA -0.142 4.277 4.527 -0.181 0.000 0.298 152 F C 0.399 176.094 175.800 -0.176 0.000 1.111 152 F CA 1.107 58.977 58.000 -0.216 0.000 1.445 152 F CB -0.286 38.531 39.000 -0.304 0.000 1.081 152 F HN 0.158 8.281 8.300 0.096 0.234 0.558 153 K N -2.658 117.772 120.400 0.050 0.000 2.242 153 K HA -0.074 4.246 4.320 -0.000 0.000 0.200 153 K C 1.618 178.288 176.600 0.115 0.000 1.050 153 K CA 1.425 57.734 56.287 0.038 0.000 0.981 153 K CB 0.884 33.418 32.500 0.057 0.000 0.795 153 K HN -0.460 7.643 8.250 0.056 0.180 0.477 154 H N -0.564 118.478 119.070 -0.048 0.000 2.563 154 H HA 0.090 4.618 4.556 -0.046 0.000 0.264 154 H C 0.407 175.693 175.328 -0.071 0.000 0.957 154 H CA 0.930 56.942 56.048 -0.061 0.000 1.173 154 H CB 1.036 30.749 29.762 -0.081 0.000 1.420 154 H HN -0.160 8.096 8.280 0.112 0.092 0.551 155 A N -1.546 121.292 122.820 0.030 0.000 2.209 155 A HA -0.078 4.397 4.320 -0.022 -0.169 0.212 155 A C 0.665 178.222 177.584 -0.045 0.000 1.158 155 A CA 1.723 53.743 52.037 -0.028 0.000 0.742 155 A CB -0.716 18.250 19.000 -0.057 0.000 0.790 155 A HN -0.155 7.970 8.150 0.035 0.047 0.472 156 V N -7.820 112.070 119.914 -0.040 0.000 2.488 156 V HA -0.132 3.950 4.120 -0.063 0.000 0.246 156 V C 0.721 176.785 176.094 -0.050 0.000 1.046 156 V CA 2.460 64.730 62.300 -0.050 0.000 1.053 156 V CB 0.147 31.948 31.823 -0.038 0.000 0.679 156 V HN -0.708 7.397 8.190 -0.011 0.078 0.458 157 S N -0.552 115.109 115.700 -0.064 0.000 2.520 157 S HA 0.103 4.536 4.470 -0.062 0.000 0.219 157 S C 0.629 175.172 174.600 -0.094 0.000 1.028 157 S CA 0.589 58.740 58.200 -0.081 0.000 0.921 157 S CB 2.128 65.266 63.200 -0.104 0.000 0.844 157 S HN -0.562 7.710 8.310 -0.064 0.000 0.495 158 D N 2.916 123.255 120.400 -0.102 0.000 2.551 158 D HA 0.518 5.112 4.640 -0.076 0.000 0.294 158 D C -1.231 175.052 176.300 -0.028 0.000 1.201 158 D CA -2.380 51.570 54.000 -0.084 0.000 0.941 158 D CB 1.358 42.072 40.800 -0.144 0.000 0.995 158 D HN -0.119 8.193 8.370 -0.096 0.000 0.502 159 P HA 0.066 4.507 4.420 0.034 0.000 0.245 159 P C 0.897 178.226 177.300 0.047 0.000 1.212 159 P CA 0.617 63.729 63.100 0.020 0.000 0.774 159 P CB 0.266 31.970 31.700 0.005 0.000 0.999 160 S N -1.119 114.602 115.700 0.035 0.000 2.442 160 S HA -0.226 4.391 4.470 0.043 -0.121 0.236 160 S C 1.582 176.239 174.600 0.096 0.000 1.007 160 S CA 2.410 60.640 58.200 0.050 0.000 0.965 160 S CB -0.109 63.109 63.200 0.030 0.000 0.773 160 S HN 0.183 8.416 8.310 0.011 0.084 0.504 161 I N -4.244 116.404 120.570 0.131 0.000 3.226 161 I HA -0.013 4.295 4.170 0.230 0.000 0.277 161 I C -0.133 176.216 176.117 0.387 0.000 1.243 161 I CA 1.318 62.766 61.300 0.247 0.000 1.459 161 I CB 0.460 38.585 38.000 0.208 0.000 1.093 161 I HN -0.823 7.400 8.210 0.096 0.045 0.453 162 L N -0.574 120.827 121.223 0.296 0.000 2.688 162 L HA 0.067 4.657 4.340 0.417 0.000 0.234 162 L C 0.239 177.186 176.870 0.127 0.000 1.192 162 L CA -0.266 54.745 54.840 0.285 0.000 0.984 162 L CB -0.400 41.788 42.059 0.215 0.000 1.232 162 L HN -0.382 7.794 8.230 0.194 0.170 0.465 163 D N -0.042 120.423 120.400 0.108 0.000 2.183 163 D HA -0.083 4.582 4.640 0.042 0.000 0.203 163 D C 0.500 176.818 176.300 0.029 0.000 0.969 163 D CA 2.358 56.392 54.000 0.055 0.000 0.842 163 D CB 0.352 41.185 40.800 0.055 0.000 0.957 163 D HN -0.255 8.096 8.370 0.141 0.104 0.484 164 S N -4.024 111.689 115.700 0.022 0.000 2.660 164 S HA 0.041 4.503 4.470 -0.014 0.000 0.227 164 S C -0.053 174.511 174.600 -0.059 0.000 0.948 164 S CA -0.103 58.084 58.200 -0.021 0.000 0.948 164 S CB -0.137 63.044 63.200 -0.032 0.000 0.779 164 S HN -0.217 8.104 8.310 0.050 0.019 0.487 165 L N 4.226 125.424 121.223 -0.042 0.000 2.389 165 L HA 0.156 4.434 4.340 -0.105 0.000 0.265 165 L C -1.096 175.751 176.870 -0.039 0.000 1.167 165 L CA -0.656 54.148 54.840 -0.061 0.000 1.045 165 L CB -1.300 40.743 42.059 -0.027 0.000 1.351 165 L HN -0.793 7.331 8.230 -0.007 0.102 0.419 166 D N 4.771 125.146 120.400 -0.041 0.000 2.441 166 D HA 0.000 4.626 4.640 -0.023 0.000 0.243 166 D C -0.854 175.428 176.300 -0.029 0.000 1.257 166 D CA 0.735 54.718 54.000 -0.029 0.000 1.027 166 D CB -0.860 39.924 40.800 -0.025 0.000 1.084 166 D HN -0.074 8.265 8.370 -0.051 0.000 0.514 167 L N 1.298 122.502 121.223 -0.031 0.000 2.260 167 L HA 0.278 4.598 4.340 -0.035 0.000 0.265 167 L C -1.068 175.780 176.870 -0.037 0.000 1.015 167 L CA -1.442 53.375 54.840 -0.038 0.000 0.826 167 L CB 2.628 44.657 42.059 -0.050 0.000 1.373 167 L HN -0.531 7.664 8.230 -0.030 0.017 0.450 168 N N -0.018 118.654 118.700 -0.047 0.000 2.445 168 N HA 0.083 4.805 4.740 -0.031 0.000 0.264 168 N C 0.592 176.075 175.510 -0.046 0.000 1.227 168 N CA -0.629 52.395 53.050 -0.042 0.000 0.963 168 N CB 1.622 40.079 38.487 -0.049 0.000 1.188 168 N HN 0.201 8.544 8.380 -0.060 0.000 0.491 169 E N -0.340 119.838 120.200 -0.037 0.000 2.338 169 E HA -0.314 4.014 4.350 -0.036 0.000 0.197 169 E C 0.280 176.853 176.600 -0.045 0.000 1.007 169 E CA 3.020 59.398 56.400 -0.037 0.000 0.849 169 E CB 0.130 29.813 29.700 -0.028 0.000 0.774 169 E HN 0.580 8.921 8.360 -0.031 0.000 0.506 170 D N -2.010 118.359 120.400 -0.052 0.000 2.262 170 D HA -0.092 4.517 4.640 -0.051 0.000 0.212 170 D C 1.792 178.042 176.300 -0.083 0.000 0.964 170 D CA 2.492 56.456 54.000 -0.060 0.000 0.875 170 D CB -0.430 40.336 40.800 -0.056 0.000 0.996 170 D HN -0.035 8.243 8.370 -0.051 0.062 0.497 171 E N -0.823 119.316 120.200 -0.102 0.000 2.299 171 E HA -0.146 4.114 4.350 -0.149 0.000 0.193 171 E C 2.133 178.667 176.600 -0.109 0.000 0.998 171 E CA 2.414 58.734 56.400 -0.134 0.000 0.851 171 E CB -0.368 29.229 29.700 -0.172 0.000 0.795 171 E HN 0.092 8.316 8.360 -0.091 0.081 0.492 172 R N -0.327 120.122 120.500 -0.085 0.000 2.100 172 R HA -0.171 4.121 4.340 -0.081 0.000 0.220 172 R C 2.120 178.375 176.300 -0.076 0.000 1.091 172 R CA 3.392 59.447 56.100 -0.075 0.000 0.986 172 R CB 0.231 30.498 30.300 -0.054 0.000 0.888 172 R HN 0.205 8.399 8.270 -0.076 0.030 0.444 173 E N -0.899 119.261 120.200 -0.067 0.000 2.112 173 E HA -0.155 4.158 4.350 -0.061 0.000 0.190 173 E C 2.437 178.994 176.600 -0.071 0.000 0.979 173 E CA 2.616 58.979 56.400 -0.062 0.000 0.814 173 E CB -0.197 29.473 29.700 -0.050 0.000 0.762 173 E HN -0.653 7.668 8.360 -0.064 0.000 0.460 174 V N 0.805 120.674 119.914 -0.075 0.000 2.307 174 V HA -0.343 3.739 4.120 -0.063 0.000 0.245 174 V C 1.867 177.905 176.094 -0.094 0.000 1.045 174 V CA 4.129 66.384 62.300 -0.075 0.000 1.024 174 V CB -0.180 31.599 31.823 -0.075 0.000 0.651 174 V HN -0.409 7.735 8.190 -0.076 0.000 0.449 175 L N -0.038 121.117 121.223 -0.114 0.000 1.994 175 L HA -0.333 3.923 4.340 -0.140 0.000 0.208 175 L C 1.739 178.503 176.870 -0.176 0.000 1.071 175 L CA 3.276 58.027 54.840 -0.149 0.000 0.745 175 L CB -0.723 41.240 42.059 -0.160 0.000 0.892 175 L HN -0.628 7.426 8.230 -0.112 0.109 0.431 176 I N -1.597 118.881 120.570 -0.154 0.000 2.208 176 I HA -0.575 3.477 4.170 -0.197 0.000 0.245 176 I C 1.604 177.644 176.117 -0.127 0.000 1.097 176 I CA 4.147 65.356 61.300 -0.151 0.000 1.363 176 I CB -0.506 37.430 38.000 -0.107 0.000 1.051 176 I HN -0.340 7.792 8.210 -0.129 0.000 0.413 177 N N -0.225 118.414 118.700 -0.102 0.000 2.223 177 N HA -0.408 4.287 4.740 -0.076 0.000 0.185 177 N C 1.660 177.112 175.510 -0.095 0.000 1.016 177 N CA 3.430 56.429 53.050 -0.084 0.000 0.863 177 N CB -0.181 38.266 38.487 -0.068 0.000 0.983 177 N HN 0.027 8.165 8.380 -0.097 0.184 0.429 178 N N 0.940 119.573 118.700 -0.113 0.000 2.207 178 N HA -0.161 4.513 4.740 -0.109 0.000 0.182 178 N C 2.378 177.802 175.510 -0.143 0.000 1.020 178 N CA 2.699 55.676 53.050 -0.121 0.000 0.858 178 N CB 0.149 38.566 38.487 -0.116 0.000 0.991 178 N HN -0.262 7.911 8.380 -0.119 0.136 0.427 179 I N 0.600 121.058 120.570 -0.187 0.000 2.208 179 I HA -0.594 3.441 4.170 -0.225 0.000 0.245 179 I C 1.840 177.873 176.117 -0.139 0.000 1.097 179 I CA 4.283 65.456 61.300 -0.213 0.000 1.363 179 I CB -0.339 37.480 38.000 -0.301 0.000 1.051 179 I HN 0.356 8.369 8.210 -0.202 0.075 0.413 180 N N -1.301 117.330 118.700 -0.114 0.000 2.171 180 N HA -0.237 4.555 4.740 -0.068 -0.092 0.184 180 N C 1.665 177.135 175.510 -0.067 0.000 1.021 180 N CA 2.559 55.562 53.050 -0.078 0.000 0.854 180 N CB -0.430 38.016 38.487 -0.069 0.000 0.994 180 N HN -0.234 8.072 8.380 -0.123 0.000 0.426 181 R N -1.419 119.036 120.500 -0.075 0.000 2.241 181 R HA -0.218 4.090 4.340 -0.054 0.000 0.224 181 R C 1.557 177.816 176.300 -0.068 0.000 1.101 181 R CA 2.176 58.236 56.100 -0.068 0.000 0.995 181 R CB 0.052 30.305 30.300 -0.079 0.000 0.870 181 R HN -0.252 7.967 8.270 -0.086 0.000 0.463 182 R N -3.459 116.995 120.500 -0.076 0.000 2.316 182 R HA 0.092 4.401 4.340 -0.052 0.000 0.201 182 R C -0.019 176.254 176.300 -0.045 0.000 0.888 182 R CA 1.291 57.353 56.100 -0.064 0.000 1.041 182 R CB 1.059 31.308 30.300 -0.085 0.000 1.115 182 R HN -0.292 7.748 8.270 -0.089 0.177 0.559 183 L N -4.499 116.693 121.223 -0.052 0.000 2.919 183 L HA 0.201 4.539 4.340 -0.003 0.000 0.169 183 L C -0.120 176.742 176.870 -0.014 0.000 1.228 183 L CA 0.548 55.372 54.840 -0.027 0.000 0.862 183 L CB 1.687 43.717 42.059 -0.048 0.000 1.313 183 L HN -0.060 7.920 8.230 -0.068 0.209 0.526 184 T N 0.953 115.493 114.554 -0.025 0.000 2.801 184 T HA 0.376 4.723 4.350 -0.005 0.000 0.306 184 T C -2.036 172.649 174.700 -0.025 0.000 1.020 184 T CA -2.037 60.053 62.100 -0.016 0.000 0.948 184 T CB 0.916 69.775 68.868 -0.015 0.000 0.962 184 T HN -0.553 7.662 8.240 -0.041 0.000 0.465 185 P HA 0.013 4.417 4.420 -0.028 0.000 0.302 185 P C -1.288 176.001 177.300 -0.019 0.000 1.301 185 P CA -0.561 62.527 63.100 -0.021 0.000 0.745 185 P CB 0.755 32.446 31.700 -0.015 0.000 1.331 186 Q N 0.065 119.854 119.800 -0.018 0.000 2.932 186 Q HA 0.106 4.436 4.340 -0.016 0.000 0.248 186 Q C -1.280 174.713 176.000 -0.011 0.000 0.982 186 Q CA -0.826 54.968 55.803 -0.016 0.000 0.730 186 Q CB -0.050 28.677 28.738 -0.019 0.000 1.249 186 Q HN 0.164 8.424 8.270 -0.018 0.000 0.476 187 A N 2.456 125.271 122.820 -0.009 0.000 2.447 187 A HA -0.264 4.160 4.320 -0.004 -0.107 0.686 187 A C -1.567 176.014 177.584 -0.005 0.000 0.169 187 A CA 0.691 52.725 52.037 -0.006 0.000 0.110 187 A CB 0.283 19.279 19.000 -0.006 0.000 3.968 187 A HN 0.013 8.157 8.150 -0.009 0.000 0.548 188 V N 0.599 120.512 119.914 -0.002 0.000 2.713 188 V HA 0.054 4.173 4.120 -0.002 0.000 0.307 188 V C -0.958 175.137 176.094 0.002 0.000 1.052 188 V CA -1.357 60.943 62.300 -0.001 0.000 0.967 188 V CB 3.323 35.147 31.823 0.001 0.000 1.019 188 V HN 0.067 8.179 8.190 -0.001 0.078 0.459 189 K N 6.716 127.118 120.400 0.002 0.000 2.285 189 K HA 0.294 4.805 4.320 0.004 -0.188 0.286 189 K C -0.663 175.941 176.600 0.007 0.000 1.072 189 K CA 0.230 56.520 56.287 0.004 0.000 0.913 189 K CB 0.256 32.758 32.500 0.003 0.000 1.067 189 K HN 0.340 8.590 8.250 0.001 0.000 0.479 190 I N 3.574 124.151 120.570 0.010 0.000 2.740 190 I HA 0.439 4.775 4.170 0.013 -0.157 0.303 190 I C -1.980 174.147 176.117 0.018 0.000 1.044 190 I CA -1.969 59.339 61.300 0.014 0.000 1.064 190 I CB 4.478 42.486 38.000 0.014 0.000 1.249 190 I HN 0.151 8.367 8.210 0.010 0.000 0.433 191 R N 3.837 124.350 120.500 0.022 0.000 2.523 191 R HA 0.720 5.333 4.340 0.029 -0.255 0.278 191 R C -2.218 174.102 176.300 0.034 0.000 1.150 191 R CA -0.645 55.471 56.100 0.027 0.000 0.987 191 R CB 3.850 34.163 30.300 0.022 0.000 1.232 191 R HN 0.130 8.413 8.270 0.021 0.000 0.424 192 A N 6.579 129.426 122.820 0.044 0.000 2.423 192 A HA 0.708 5.288 4.320 0.049 -0.231 0.304 192 A C -2.672 174.951 177.584 0.064 0.000 1.104 192 A CA -2.359 49.711 52.037 0.056 0.000 0.757 192 A CB 4.111 23.152 19.000 0.067 0.000 1.313 192 A HN 1.108 9.178 8.150 0.046 0.108 0.423 193 D N -1.061 119.379 120.400 0.067 0.000 2.252 193 D HA 0.601 5.404 4.640 0.065 -0.124 0.245 193 D C -0.518 175.818 176.300 0.060 0.000 1.009 193 D CA -0.923 53.114 54.000 0.061 0.000 0.870 193 D CB 3.268 44.094 40.800 0.043 0.000 1.251 193 D HN 0.073 8.483 8.370 0.067 0.000 0.460 194 I N -5.622 114.957 120.570 0.015 0.000 3.095 194 I HA 0.413 4.617 4.170 -0.162 -0.130 0.310 194 I C -2.319 173.658 176.117 -0.234 0.000 1.196 194 I CA -2.022 59.152 61.300 -0.210 0.000 0.985 194 I CB 4.945 42.773 38.000 -0.288 0.000 1.250 194 I HN -0.369 7.880 8.210 0.065 0.000 0.446 195 E N 2.303 122.195 120.200 -0.514 0.000 2.267 195 E HA 0.287 4.764 4.350 0.211 0.000 0.248 195 E C -2.119 174.231 176.600 -0.416 0.000 0.899 195 E CA -1.834 54.450 56.400 -0.193 0.000 0.764 195 E CB 2.139 31.788 29.700 -0.085 0.000 1.227 195 E HN -0.423 7.379 8.360 -0.912 0.010 0.421 196 V N 6.571 126.212 119.914 -0.456 0.000 2.539 196 V HA 0.582 4.682 4.120 -0.328 -0.176 0.292 196 V C -1.572 174.426 176.094 -0.161 0.000 1.045 196 V CA -0.629 61.435 62.300 -0.394 0.000 0.945 196 V CB 1.856 33.314 31.823 -0.607 0.000 0.993 196 V HN 0.509 8.358 8.190 -0.568 0.000 0.464 197 A N 5.840 128.586 122.820 -0.124 0.000 2.491 197 A HA 0.382 4.577 4.320 -0.209 0.000 0.293 197 A C -2.431 175.037 177.584 -0.194 0.000 1.047 197 A CA 0.077 51.990 52.037 -0.206 0.000 0.735 197 A CB 3.293 22.146 19.000 -0.245 0.000 1.281 197 A HN 0.191 8.291 8.150 -0.083 0.000 0.398 198 C N 4.575 123.743 119.300 -0.221 0.000 2.787 198 C HA 0.311 4.903 4.460 0.011 -0.125 0.265 198 C C -0.628 174.311 174.990 -0.085 0.000 1.190 198 C CA -2.476 56.492 59.018 -0.083 0.000 1.616 198 C CB -0.959 26.754 27.740 -0.045 0.000 1.732 198 C HN 0.464 8.549 8.230 -0.242 0.000 0.433 199 Y N 5.862 126.183 120.300 0.035 0.000 2.857 199 Y HA -0.288 4.288 4.550 0.044 0.000 0.373 199 Y C -0.303 175.625 175.900 0.046 0.000 1.346 199 Y CA 1.753 59.877 58.100 0.040 0.000 1.736 199 Y CB -1.257 37.223 38.460 0.033 0.000 1.236 199 Y HN 0.134 8.448 8.280 0.056 0.000 0.507 200 G N 3.176 112.065 108.800 0.148 0.000 2.282 200 G HA2 -0.138 3.915 3.960 0.156 0.000 0.274 200 G HA3 -0.138 3.892 3.960 0.117 0.000 0.274 200 G C -0.977 174.015 174.900 0.152 0.000 1.718 200 G CA -0.455 44.729 45.100 0.140 0.000 0.927 200 G HN -0.605 7.747 8.290 0.104 0.000 0.733 201 Y N 1.845 122.161 120.300 0.026 0.000 2.483 201 Y HA -0.173 4.381 4.550 0.008 0.000 0.291 201 Y C -0.297 175.609 175.900 0.009 0.000 1.143 201 Y CA 1.122 59.230 58.100 0.013 0.000 1.289 201 Y CB 0.423 38.892 38.460 0.015 0.000 0.983 201 Y HN 0.333 8.779 8.280 0.278 0.000 0.556 202 E N -3.540 116.608 120.200 -0.087 0.000 2.501 202 E HA 0.147 4.301 4.350 -0.326 0.000 0.201 202 E C 0.988 177.536 176.600 -0.088 0.000 1.016 202 E CA -0.100 56.195 56.400 -0.176 0.000 0.920 202 E CB -0.330 29.310 29.700 -0.100 0.000 1.023 202 E HN 0.135 8.462 8.360 0.039 0.056 0.474 203 G N 0.063 108.840 108.800 -0.039 0.000 2.683 203 G HA2 0.016 3.965 3.960 -0.020 0.000 0.213 203 G HA3 0.016 4.121 3.960 -0.001 -0.146 0.213 203 G C -0.012 174.864 174.900 -0.040 0.000 1.142 203 G CA 0.743 45.830 45.100 -0.022 0.000 0.793 203 G HN 0.061 8.149 8.290 -0.011 0.195 0.534 204 I N 0.432 120.971 120.570 -0.051 0.000 2.530 204 I HA -0.416 3.735 4.170 -0.033 0.000 0.257 204 I C 0.009 176.096 176.117 -0.051 0.000 1.179 204 I CA 2.305 63.578 61.300 -0.044 0.000 1.440 204 I CB 0.275 38.250 38.000 -0.041 0.000 1.087 204 I HN -0.360 7.773 8.210 -0.061 0.040 0.440 205 D N -0.596 119.766 120.400 -0.064 0.000 2.224 205 D HA -0.183 4.427 4.640 -0.050 0.000 0.205 205 D C 1.473 177.750 176.300 -0.039 0.000 0.965 205 D CA 3.533 57.500 54.000 -0.054 0.000 0.852 205 D CB -0.433 40.329 40.800 -0.064 0.000 0.947 205 D HN -0.394 7.886 8.370 -0.079 0.042 0.494 206 A N -0.566 122.233 122.820 -0.036 0.000 2.030 206 A HA -0.067 4.239 4.320 -0.023 0.000 0.215 206 A C 1.623 179.186 177.584 -0.035 0.000 1.164 206 A CA 2.612 54.633 52.037 -0.026 0.000 0.697 206 A CB 0.067 19.058 19.000 -0.016 0.000 0.827 206 A HN -0.166 7.807 8.150 -0.039 0.154 0.457 207 V N 0.191 120.078 119.914 -0.045 0.000 2.270 207 V HA -0.694 3.371 4.120 -0.091 0.000 0.245 207 V C 1.381 177.436 176.094 -0.064 0.000 1.043 207 V CA 4.731 66.990 62.300 -0.068 0.000 1.014 207 V CB 0.161 31.951 31.823 -0.056 0.000 0.645 207 V HN -0.180 7.863 8.190 -0.042 0.122 0.447 208 K N -1.743 118.633 120.400 -0.040 0.000 2.025 208 K HA -0.325 3.978 4.320 -0.027 0.000 0.207 208 K C 2.271 178.853 176.600 -0.029 0.000 1.049 208 K CA 3.777 60.046 56.287 -0.029 0.000 0.933 208 K CB -0.321 32.167 32.500 -0.020 0.000 0.714 208 K HN -0.493 7.735 8.250 -0.036 0.000 0.438 209 E N -1.109 119.075 120.200 -0.028 0.000 2.204 209 E HA -0.286 4.052 4.350 -0.019 0.000 0.195 209 E C 2.230 178.817 176.600 -0.021 0.000 0.990 209 E CA 2.781 59.168 56.400 -0.022 0.000 0.821 209 E CB -0.176 29.512 29.700 -0.021 0.000 0.750 209 E HN -0.596 7.747 8.360 -0.030 0.000 0.477 210 A N 0.596 123.399 122.820 -0.029 0.000 1.841 210 A HA -0.274 4.043 4.320 -0.006 0.000 0.214 210 A C 1.745 179.312 177.584 -0.028 0.000 1.195 210 A CA 3.238 55.262 52.037 -0.022 0.000 0.611 210 A CB -0.624 18.356 19.000 -0.033 0.000 0.835 210 A HN -0.045 7.869 8.150 -0.036 0.215 0.443 211 L N -2.320 118.868 121.223 -0.058 0.000 2.013 211 L HA -0.439 3.865 4.340 -0.059 0.000 0.212 211 L C 2.435 179.294 176.870 -0.019 0.000 1.073 211 L CA 3.687 58.496 54.840 -0.052 0.000 0.753 211 L CB -1.021 41.001 42.059 -0.061 0.000 0.890 211 L HN -0.513 7.671 8.230 -0.077 0.000 0.432 212 R N -2.059 118.432 120.500 -0.016 0.000 2.105 212 R HA -0.384 3.953 4.340 -0.005 0.000 0.239 212 R C 2.264 178.560 176.300 -0.006 0.000 1.135 212 R CA 3.489 59.584 56.100 -0.008 0.000 0.967 212 R CB -0.284 30.011 30.300 -0.010 0.000 0.861 212 R HN -0.262 7.995 8.270 -0.021 0.000 0.442 213 A N -2.054 120.762 122.820 -0.007 0.000 1.930 213 A HA -0.129 4.187 4.320 -0.006 0.000 0.217 213 A C 2.161 179.745 177.584 0.000 0.000 1.175 213 A CA 2.742 54.776 52.037 -0.005 0.000 0.627 213 A CB -0.872 18.125 19.000 -0.005 0.000 0.815 213 A HN -0.315 7.711 8.150 -0.010 0.118 0.443 214 G N -2.063 106.741 108.800 0.006 0.000 2.403 214 G HA2 -0.202 3.766 3.960 0.015 0.000 0.216 214 G HA3 -0.202 3.774 3.960 0.027 0.000 0.216 214 G C 0.859 175.766 174.900 0.012 0.000 1.154 214 G CA 1.469 46.579 45.100 0.016 0.000 0.784 214 G HN -0.376 7.810 8.290 0.004 0.106 0.538 215 L N -3.207 118.020 121.223 0.007 0.000 2.418 215 L HA -0.064 4.282 4.340 0.010 0.000 0.218 215 L C 0.296 177.168 176.870 0.003 0.000 1.125 215 L CA 1.725 56.569 54.840 0.007 0.000 0.835 215 L CB -0.056 42.007 42.059 0.006 0.000 0.953 215 L HN -0.337 7.812 8.230 0.004 0.084 0.454 216 N N -1.593 117.107 118.700 0.001 0.000 2.405 216 N HA -0.141 4.598 4.740 -0.002 0.000 0.175 216 N C 0.365 175.874 175.510 -0.003 0.000 1.051 216 N CA 1.834 54.883 53.050 -0.002 0.000 0.899 216 N CB 0.847 39.332 38.487 -0.004 0.000 1.000 216 N HN -0.324 7.895 8.380 0.000 0.162 0.451 217 C N -0.975 118.324 119.300 -0.002 0.000 2.491 217 C HA -0.086 4.370 4.460 -0.007 0.000 0.277 217 C C -0.551 174.438 174.990 -0.003 0.000 1.455 217 C CA 0.809 59.824 59.018 -0.004 0.000 1.758 217 C CB 0.010 27.747 27.740 -0.006 0.000 1.745 217 C HN -0.400 7.830 8.230 -0.001 0.000 0.558 218 S N -0.562 115.138 115.700 -0.000 0.000 2.629 218 S HA -0.166 4.305 4.470 0.002 0.000 0.250 218 S C -0.371 174.228 174.600 -0.002 0.000 1.318 218 S CA 1.220 59.420 58.200 0.001 0.000 0.970 218 S CB 0.543 63.744 63.200 0.002 0.000 0.996 218 S HN -0.764 7.480 8.310 0.001 0.067 0.563 219 T N -0.322 114.231 114.554 -0.001 0.000 2.865 219 T HA 0.257 4.605 4.350 -0.003 0.000 0.294 219 T C -1.453 173.245 174.700 -0.003 0.000 1.119 219 T CA -0.872 61.226 62.100 -0.003 0.000 1.007 219 T CB 1.902 70.768 68.868 -0.003 0.000 1.225 219 T HN 0.071 8.311 8.240 -0.000 0.000 0.515 220 E N 2.287 122.484 120.200 -0.004 0.000 2.437 220 E HA -0.308 4.039 4.350 -0.004 0.000 0.263 220 E C 0.190 176.788 176.600 -0.005 0.000 1.030 220 E CA 2.245 58.642 56.400 -0.005 0.000 0.934 220 E CB 0.591 30.287 29.700 -0.005 0.000 0.943 220 E HN 0.258 8.615 8.360 -0.004 0.000 0.444 221 N N 0.177 118.874 118.700 -0.005 0.000 2.863 221 N HA -0.301 4.435 4.740 -0.006 0.000 0.245 221 N C -1.104 174.404 175.510 -0.004 0.000 1.001 221 N CA 1.788 54.834 53.050 -0.006 0.000 0.901 221 N CB -0.298 38.185 38.487 -0.007 0.000 1.124 221 N HN 0.422 8.799 8.380 -0.005 0.000 0.582 222 M N -1.039 118.560 119.600 -0.003 0.000 2.066 222 M HA 0.564 5.273 4.480 -0.001 -0.230 0.264 222 M C -2.783 173.517 176.300 0.001 0.000 0.886 222 M CA -2.027 53.272 55.300 -0.001 0.000 0.810 222 M CB 1.376 33.975 32.600 -0.000 0.000 1.451 222 M HN -0.487 7.723 8.290 -0.003 0.078 0.373 223 P HA 0.127 4.548 4.420 0.002 0.000 0.276 223 P C -2.147 175.156 177.300 0.005 0.000 1.230 223 P CA -0.418 62.684 63.100 0.002 0.000 0.776 223 P CB 0.553 32.254 31.700 0.001 0.000 0.888 224 I N 0.697 121.272 120.570 0.007 0.000 2.530 224 I HA 0.303 4.604 4.170 0.012 -0.124 0.297 224 I C -0.838 175.287 176.117 0.014 0.000 1.011 224 I CA -1.651 59.656 61.300 0.012 0.000 1.107 224 I CB 3.354 41.362 38.000 0.013 0.000 1.285 224 I HN -0.077 8.137 8.210 0.006 0.000 0.436 225 K N 5.725 126.135 120.400 0.018 0.000 2.450 225 K HA 0.347 4.678 4.320 0.018 0.000 0.257 225 K C -2.248 174.369 176.600 0.030 0.000 0.953 225 K CA -1.424 54.875 56.287 0.020 0.000 0.844 225 K CB 2.316 34.825 32.500 0.016 0.000 1.103 225 K HN 0.799 8.929 8.250 0.019 0.131 0.429 226 I N 7.266 127.857 120.570 0.035 0.000 2.355 226 I HA 0.751 5.235 4.170 0.059 -0.278 0.288 226 I C -1.536 174.625 176.117 0.073 0.000 0.999 226 I CA -1.412 59.921 61.300 0.055 0.000 1.163 226 I CB 1.688 39.714 38.000 0.044 0.000 1.316 226 I HN 0.418 8.646 8.210 0.030 0.000 0.454 227 N N 8.672 127.421 118.700 0.082 0.000 2.328 227 N HA 0.361 5.146 4.740 0.074 0.000 0.299 227 N C -2.249 173.311 175.510 0.083 0.000 1.179 227 N CA -1.720 51.373 53.050 0.072 0.000 0.793 227 N CB 3.836 42.341 38.487 0.029 0.000 1.366 227 N HN -0.027 8.399 8.380 0.075 0.000 0.493 228 L N 1.709 122.947 121.223 0.025 0.000 2.282 228 L HA 0.303 4.455 4.340 -0.313 0.000 0.288 228 L C -0.234 176.525 176.870 -0.185 0.000 1.033 228 L CA -0.100 54.632 54.840 -0.179 0.000 0.807 228 L CB 1.180 43.132 42.059 -0.178 0.000 1.209 228 L HN 0.350 8.597 8.230 0.029 0.000 0.423 229 I N 5.923 126.356 120.570 -0.228 0.000 3.854 229 I HA 0.054 4.159 4.170 -0.108 0.000 0.312 229 I C -1.148 174.865 176.117 -0.173 0.000 1.273 229 I CA -0.192 61.018 61.300 -0.150 0.000 1.298 229 I CB 0.867 38.803 38.000 -0.107 0.000 1.071 229 I HN 0.624 8.649 8.210 -0.307 0.000 0.428 230 A N -2.483 120.176 122.820 -0.268 0.000 2.515 230 A HA 0.421 4.644 4.320 -0.161 0.000 0.299 230 A C -2.719 174.679 177.584 -0.311 0.000 1.179 230 A CA -1.092 50.812 52.037 -0.222 0.000 0.656 230 A CB 0.002 18.904 19.000 -0.163 0.000 1.306 230 A HN -0.960 6.951 8.150 -0.398 0.000 0.459 231 P HA 0.161 4.470 4.420 -0.184 0.000 0.209 231 P C -1.157 176.050 177.300 -0.156 0.000 1.203 231 P CA 1.750 64.750 63.100 -0.166 0.000 0.916 231 P CB -1.665 29.985 31.700 -0.083 0.000 0.763 232 P HA 0.100 4.693 4.420 0.035 -0.152 0.237 232 P C -1.338 175.939 177.300 -0.039 0.000 1.723 232 P CA -0.473 62.616 63.100 -0.017 0.000 0.882 232 P CB -1.954 29.749 31.700 0.005 0.000 1.810 233 R N -1.914 118.493 120.500 -0.155 0.000 2.664 233 R HA 0.068 4.505 4.340 0.022 -0.084 0.260 233 R C -2.669 173.394 176.300 -0.395 0.000 1.062 233 R CA 0.009 56.033 56.100 -0.126 0.000 0.902 233 R CB 2.917 33.142 30.300 -0.126 0.000 1.258 233 R HN -0.334 7.634 8.270 -0.350 0.092 0.465 234 Y N -0.707 119.538 120.300 -0.092 0.000 2.715 234 Y HA 0.386 4.900 4.550 -0.061 0.000 0.331 234 Y C -1.899 173.971 175.900 -0.050 0.000 1.197 234 Y CA -0.929 57.126 58.100 -0.075 0.000 1.079 234 Y CB 4.275 42.672 38.460 -0.104 0.000 1.298 234 Y HN 0.048 8.406 8.280 0.130 0.000 0.477 235 V N -0.289 119.711 119.914 0.144 0.000 2.623 235 V HA 0.347 4.507 4.120 0.066 0.000 0.304 235 V C -2.512 173.629 176.094 0.078 0.000 1.054 235 V CA -1.159 61.187 62.300 0.077 0.000 0.882 235 V CB 3.847 35.692 31.823 0.036 0.000 1.002 235 V HN 0.377 8.684 8.190 0.196 0.000 0.424 236 M N 9.932 129.571 119.600 0.065 0.000 2.085 236 M HA 0.502 5.141 4.480 0.053 -0.127 0.309 236 M C -2.055 174.270 176.300 0.042 0.000 0.947 236 M CA -1.182 54.151 55.300 0.056 0.000 0.918 236 M CB 2.363 35.002 32.600 0.065 0.000 1.504 236 M HN 1.150 9.478 8.290 0.063 0.000 0.420 237 T N 3.687 118.261 114.554 0.033 0.000 2.883 237 T HA 1.173 5.652 4.350 0.025 -0.114 0.284 237 T C -0.678 174.034 174.700 0.020 0.000 1.041 237 T CA -2.423 59.692 62.100 0.025 0.000 1.007 237 T CB 3.369 72.249 68.868 0.020 0.000 1.220 237 T HN 0.873 9.024 8.240 0.033 0.108 0.552 238 T N -1.022 113.542 114.554 0.015 0.000 2.648 238 T HA 0.396 4.889 4.350 0.010 -0.136 0.300 238 T C -1.931 172.774 174.700 0.008 0.000 1.751 238 T CA -0.542 61.565 62.100 0.011 0.000 0.959 238 T CB 1.335 70.210 68.868 0.012 0.000 1.888 238 T HN 0.279 8.528 8.240 0.014 0.000 0.480 239 T N 3.029 117.586 114.554 0.005 0.000 3.141 239 T HA 0.615 5.203 4.350 0.002 -0.237 0.377 239 T C -1.629 173.072 174.700 0.001 0.000 1.258 239 T CA -0.848 61.254 62.100 0.002 0.000 1.263 239 T CB 0.536 69.404 68.868 0.000 0.000 1.066 239 T HN 0.003 8.246 8.240 0.005 0.000 0.546 240 T N 4.293 118.849 114.554 0.002 0.000 2.881 240 T HA 0.373 4.723 4.350 -0.000 0.000 0.291 240 T C -0.686 174.015 174.700 0.001 0.000 0.990 240 T CA -2.205 59.895 62.100 0.001 0.000 0.976 240 T CB 1.790 70.659 68.868 0.003 0.000 0.970 240 T HN -0.156 8.086 8.240 0.003 0.000 0.438 241 L N 5.359 126.581 121.223 -0.001 0.000 2.428 241 L HA -0.202 4.194 4.340 -0.001 -0.057 0.266 241 L C -0.367 176.503 176.870 0.001 0.000 1.269 241 L CA 1.520 56.360 54.840 -0.001 0.000 0.821 241 L CB 0.348 42.406 42.059 -0.002 0.000 1.095 241 L HN 0.483 8.712 8.230 -0.002 0.000 0.559 242 E N -4.521 115.680 120.200 0.002 0.000 7.597 242 E HA -0.285 4.067 4.350 0.003 0.000 0.453 242 E C -0.412 176.190 176.600 0.004 0.000 0.390 242 E CA 0.944 57.346 56.400 0.003 0.000 0.710 242 E CB 0.702 30.403 29.700 0.002 0.000 0.966 242 E HN 0.148 8.508 8.360 0.001 0.000 0.263 243 R N 2.884 123.387 120.500 0.004 0.000 2.073 243 R HA -0.267 4.076 4.340 0.005 0.000 0.229 243 R C 1.932 178.235 176.300 0.006 0.000 1.120 243 R CA 3.180 59.283 56.100 0.005 0.000 0.967 243 R CB 0.331 30.634 30.300 0.006 0.000 0.862 243 R HN 0.495 8.768 8.270 0.004 0.000 0.436 244 T N 0.593 115.149 114.554 0.005 0.000 2.866 244 T HA -0.103 4.250 4.350 0.005 0.000 0.250 244 T C 1.655 176.357 174.700 0.003 0.000 1.033 244 T CA 3.847 65.950 62.100 0.004 0.000 1.145 244 T CB -0.018 68.852 68.868 0.003 0.000 0.866 244 T HN 0.066 8.538 8.240 0.004 -0.229 0.434 245 E N 2.285 122.486 120.200 0.002 0.000 2.097 245 E HA -0.372 3.978 4.350 -0.000 0.000 0.196 245 E C 2.249 178.850 176.600 0.002 0.000 1.000 245 E CA 3.703 60.104 56.400 0.001 0.000 0.804 245 E CB -0.513 29.188 29.700 0.001 0.000 0.740 245 E HN -0.542 8.054 8.360 0.002 -0.235 0.454 246 G N -1.867 106.935 108.800 0.003 0.000 2.545 246 G HA2 -0.288 3.674 3.960 0.004 0.000 0.217 246 G HA3 -0.288 3.675 3.960 0.006 0.000 0.217 246 G C 1.213 176.118 174.900 0.007 0.000 1.218 246 G CA 1.855 46.958 45.100 0.005 0.000 0.787 246 G HN -0.678 7.611 8.290 0.003 0.003 0.571 247 L N -0.087 121.141 121.223 0.009 0.000 2.187 247 L HA -0.452 3.897 4.340 0.016 0.000 0.213 247 L C 2.100 178.974 176.870 0.008 0.000 1.100 247 L CA 2.498 57.345 54.840 0.012 0.000 0.765 247 L CB -0.621 41.446 42.059 0.012 0.000 0.904 247 L HN -0.682 7.553 8.230 0.008 0.000 0.437 248 S N -0.771 114.931 115.700 0.003 0.000 2.383 248 S HA -0.307 4.160 4.470 -0.004 0.000 0.229 248 S C 1.989 176.587 174.600 -0.003 0.000 1.030 248 S CA 4.228 62.427 58.200 -0.002 0.000 1.002 248 S CB -0.348 62.851 63.200 -0.003 0.000 0.829 248 S HN 0.513 8.598 8.310 0.004 0.228 0.467 249 V N -0.712 119.202 119.914 0.000 0.000 2.488 249 V HA -0.292 3.825 4.120 -0.005 0.000 0.246 249 V C 0.876 176.973 176.094 0.005 0.000 1.046 249 V CA 3.373 65.673 62.300 0.000 0.000 1.053 249 V CB -0.080 31.744 31.823 0.002 0.000 0.679 249 V HN -0.169 7.891 8.190 0.002 0.132 0.458 250 L N 0.704 121.935 121.223 0.012 0.000 1.989 250 L HA -0.321 4.038 4.340 0.031 0.000 0.211 250 L C 2.407 179.291 176.870 0.024 0.000 1.071 250 L CA 2.938 57.793 54.840 0.026 0.000 0.749 250 L CB -1.858 40.219 42.059 0.031 0.000 0.890 250 L HN -0.431 7.713 8.230 0.011 0.092 0.431 251 S N -1.237 114.468 115.700 0.010 0.000 2.356 251 S HA -0.463 4.004 4.470 -0.004 0.000 0.223 251 S C 2.149 176.723 174.600 -0.043 0.000 1.032 251 S CA 4.048 62.241 58.200 -0.013 0.000 1.005 251 S CB -0.200 62.991 63.200 -0.016 0.000 0.867 251 S HN 0.320 8.636 8.310 0.009 0.000 0.449 252 Q N 1.170 120.951 119.800 -0.032 0.000 2.197 252 Q HA -0.367 3.941 4.340 -0.054 0.000 0.207 252 Q C 2.110 178.083 176.000 -0.045 0.000 0.984 252 Q CA 3.057 58.835 55.803 -0.041 0.000 0.869 252 Q CB -0.095 28.628 28.738 -0.025 0.000 0.906 252 Q HN -0.361 7.897 8.270 -0.019 0.000 0.426 253 A N -0.771 122.036 122.820 -0.022 0.000 1.930 253 A HA -0.173 4.141 4.320 -0.010 0.000 0.215 253 A C 1.530 179.111 177.584 -0.006 0.000 1.176 253 A CA 2.955 54.991 52.037 -0.003 0.000 0.632 253 A CB -0.607 18.408 19.000 0.025 0.000 0.819 253 A HN -0.207 7.807 8.150 -0.009 0.130 0.445 254 M N -0.167 119.423 119.600 -0.017 0.000 2.279 254 M HA -0.354 4.276 4.480 0.249 0.000 0.264 254 M C 1.680 177.602 176.300 -0.631 0.000 1.062 254 M CA 3.309 58.533 55.300 -0.126 0.000 1.099 254 M CB -0.306 32.285 32.600 -0.014 0.000 1.394 254 M HN 0.028 8.223 8.290 -0.004 0.093 0.426 255 A N -0.667 121.944 122.820 -0.348 0.000 1.984 255 A HA -0.086 3.953 4.320 -0.469 0.000 0.214 255 A C 1.713 179.168 177.584 -0.215 0.000 1.173 255 A CA 2.668 54.507 52.037 -0.330 0.000 0.673 255 A CB -0.609 18.275 19.000 -0.193 0.000 0.830 255 A HN 0.291 8.190 8.150 -0.203 0.129 0.453 256 V N 0.987 120.822 119.914 -0.131 0.000 2.295 256 V HA -0.420 3.662 4.120 -0.064 0.000 0.246 256 V C 1.921 177.989 176.094 -0.043 0.000 1.049 256 V CA 4.322 66.581 62.300 -0.068 0.000 1.024 256 V CB 0.208 32.008 31.823 -0.039 0.000 0.648 256 V HN -0.425 7.608 8.190 -0.120 0.085 0.447 257 I N -0.909 119.657 120.570 -0.006 0.000 2.226 257 I HA -0.601 3.602 4.170 0.055 0.000 0.245 257 I C 1.322 177.511 176.117 0.120 0.000 1.100 257 I CA 4.730 66.086 61.300 0.094 0.000 1.374 257 I CB -0.140 38.005 38.000 0.242 0.000 1.057 257 I HN 0.563 8.655 8.210 -0.013 0.110 0.413 258 K N -1.413 118.953 120.400 -0.057 0.000 2.218 258 K HA -0.472 3.975 4.320 0.212 0.000 0.205 258 K C 1.785 178.373 176.600 -0.020 0.000 1.046 258 K CA 3.636 59.870 56.287 -0.089 0.000 0.933 258 K CB -0.557 31.632 32.500 -0.518 0.000 0.728 258 K HN -0.369 7.637 8.250 -0.299 0.064 0.454 259 E N -1.557 118.617 120.200 -0.044 0.000 2.140 259 E HA -0.147 4.191 4.350 -0.019 0.000 0.191 259 E C 2.188 178.788 176.600 0.001 0.000 0.973 259 E CA 2.428 58.814 56.400 -0.023 0.000 0.829 259 E CB 0.205 29.882 29.700 -0.039 0.000 0.781 259 E HN -0.437 7.713 8.360 -0.072 0.166 0.466 260 K N -2.397 118.008 120.400 0.008 0.000 2.525 260 K HA -0.136 4.185 4.320 0.001 0.000 0.192 260 K C 0.992 177.603 176.600 0.017 0.000 1.029 260 K CA 1.110 57.401 56.287 0.008 0.000 1.029 260 K CB -0.316 32.186 32.500 0.004 0.000 0.814 260 K HN 0.196 8.239 8.250 0.007 0.210 0.503 261 I N -3.077 117.518 120.570 0.042 0.000 3.971 261 I HA 0.012 4.194 4.170 0.020 0.000 0.303 261 I C 0.602 176.753 176.117 0.057 0.000 1.233 261 I CA -0.225 61.103 61.300 0.046 0.000 1.346 261 I CB 2.082 40.129 38.000 0.078 0.000 1.273 261 I HN -0.102 8.064 8.210 0.053 0.076 0.448 262 E N 0.469 120.707 120.200 0.063 0.000 2.158 262 E HA -0.248 4.215 4.350 0.076 -0.067 0.191 262 E C 2.071 178.694 176.600 0.038 0.000 0.982 262 E CA 2.862 59.298 56.400 0.059 0.000 0.823 262 E CB -0.168 29.562 29.700 0.051 0.000 0.766 262 E HN -0.470 7.927 8.360 0.062 0.000 0.468 263 E N 0.017 120.232 120.200 0.024 0.000 2.265 263 E HA -0.233 4.125 4.350 0.013 0.000 0.196 263 E C 0.713 177.323 176.600 0.017 0.000 0.996 263 E CA 2.228 58.637 56.400 0.015 0.000 0.832 263 E CB 0.121 29.824 29.700 0.006 0.000 0.756 263 E HN -0.776 7.597 8.360 0.023 0.000 0.491 264 K N -2.420 117.993 120.400 0.022 0.000 2.832 264 K HA 0.090 4.420 4.320 0.016 0.000 0.211 264 K C -1.687 174.937 176.600 0.039 0.000 1.112 264 K CA -1.362 54.937 56.287 0.021 0.000 1.108 264 K CB -0.345 32.160 32.500 0.008 0.000 0.899 264 K HN -0.766 7.358 8.250 0.026 0.141 0.464 265 R N -2.435 118.096 120.500 0.051 0.000 3.144 265 R HA -0.371 4.013 4.340 0.075 0.000 0.255 265 R C -1.683 174.690 176.300 0.121 0.000 0.949 265 R CA 0.710 56.858 56.100 0.079 0.000 0.649 265 R CB -1.655 28.690 30.300 0.075 0.000 1.229 265 R HN -0.469 7.754 8.270 0.043 0.072 0.440 266 G N -2.800 106.071 108.800 0.118 0.000 3.166 266 G HA2 0.717 4.828 3.960 0.192 0.000 0.267 266 G HA3 0.717 4.816 3.960 0.081 -0.091 0.267 266 G C -2.021 172.983 174.900 0.174 0.000 1.256 266 G CA -0.890 44.294 45.100 0.140 0.000 0.859 266 G HN -0.718 7.629 8.290 0.096 0.000 0.590 267 V N -2.620 117.388 119.914 0.157 0.000 3.178 267 V HA 0.187 4.414 4.120 0.178 0.000 0.302 267 V C -2.527 173.674 176.094 0.178 0.000 1.262 267 V CA -0.683 61.727 62.300 0.183 0.000 1.030 267 V CB 4.698 36.666 31.823 0.243 0.000 1.074 267 V HN 0.522 8.681 8.190 0.097 0.089 0.438 268 F N 2.184 122.156 119.950 0.038 0.000 2.578 268 F HA 0.796 5.582 4.527 -0.001 -0.259 0.311 268 F C -2.005 173.814 175.800 0.031 0.000 1.094 268 F CA -2.054 55.955 58.000 0.014 0.000 0.923 268 F CB 4.127 43.123 39.000 -0.005 0.000 1.230 268 F HN 0.137 8.605 8.300 0.279 0.000 0.450 269 N N 5.233 123.888 118.700 -0.075 0.000 2.542 269 N HA 0.213 5.130 4.740 0.296 0.000 0.288 269 N C -2.073 173.459 175.510 0.037 0.000 1.115 269 N CA -0.895 52.229 53.050 0.123 0.000 0.924 269 N CB 2.857 41.376 38.487 0.053 0.000 1.526 269 N HN -0.279 7.632 8.380 -0.761 0.013 0.515 270 V N 2.770 122.819 119.914 0.225 0.000 3.051 270 V HA 0.002 4.430 4.120 0.165 -0.209 0.306 270 V C 0.089 176.233 176.094 0.083 0.000 1.083 270 V CA 0.418 62.824 62.300 0.176 0.000 1.104 270 V CB 0.482 32.434 31.823 0.215 0.000 1.027 270 V HN 0.265 8.637 8.190 0.304 0.000 0.483 271 Q N 3.053 122.891 119.800 0.062 0.000 2.342 271 Q HA 0.246 4.609 4.340 0.039 0.000 0.261 271 Q C -0.809 175.215 176.000 0.039 0.000 0.841 271 Q CA 0.740 56.568 55.803 0.041 0.000 0.969 271 Q CB 2.090 30.843 28.738 0.025 0.000 1.136 271 Q HN 0.325 8.526 8.270 0.070 0.111 0.528 272 M N -1.702 117.925 119.600 0.045 0.000 2.783 272 M HA 0.078 4.578 4.480 0.033 0.000 0.443 272 M C -1.876 174.450 176.300 0.043 0.000 1.265 272 M CA -0.456 54.866 55.300 0.037 0.000 0.844 272 M CB 1.887 34.505 32.600 0.030 0.000 1.596 272 M HN -0.483 7.841 8.290 0.056 0.000 0.546 273 E N -1.478 118.756 120.200 0.057 0.000 9.212 273 E HA -0.321 4.072 4.350 0.071 0.000 0.380 273 E C -2.606 174.023 176.600 0.048 0.000 1.429 273 E CA 1.926 58.360 56.400 0.056 0.000 2.482 273 E CB -0.587 29.138 29.700 0.042 0.000 1.064 273 E HN 0.036 8.436 8.360 0.067 0.000 0.415 274 P HA -0.007 4.437 4.420 0.039 0.000 0.276 274 P C -1.639 175.677 177.300 0.027 0.000 1.253 274 P CA 0.178 63.299 63.100 0.035 0.000 0.766 274 P CB 0.102 31.819 31.700 0.029 0.000 0.845 275 K N 4.961 125.376 120.400 0.025 0.000 2.483 275 K HA 0.242 4.573 4.320 0.018 0.000 0.256 275 K C -1.069 175.541 176.600 0.016 0.000 0.961 275 K CA -1.309 54.989 56.287 0.019 0.000 0.873 275 K CB 1.906 34.418 32.500 0.020 0.000 1.107 275 K HN -0.106 8.050 8.250 0.027 0.111 0.432 276 V N 4.406 124.328 119.914 0.013 0.000 2.953 276 V HA 0.049 4.286 4.120 0.011 -0.110 0.304 276 V C 0.147 176.247 176.094 0.009 0.000 1.073 276 V CA -0.450 61.856 62.300 0.011 0.000 1.064 276 V CB 0.994 32.822 31.823 0.009 0.000 1.047 276 V HN 0.377 8.575 8.190 0.013 0.000 0.478 277 V N 3.906 123.824 119.914 0.007 0.000 2.630 277 V HA 0.151 4.275 4.120 0.006 0.000 0.305 277 V C -0.088 176.008 176.094 0.004 0.000 1.046 277 V CA -0.852 61.452 62.300 0.006 0.000 0.934 277 V CB 1.978 33.804 31.823 0.005 0.000 1.003 277 V HN 0.355 8.549 8.190 0.007 0.000 0.451 278 T N 2.065 116.621 114.554 0.003 0.000 2.892 278 T HA 0.216 4.567 4.350 0.001 0.000 0.280 278 T C -0.253 174.446 174.700 -0.002 0.000 1.004 278 T CA -1.574 60.527 62.100 0.001 0.000 0.950 278 T CB 1.572 70.442 68.868 0.003 0.000 1.309 278 T HN -0.027 8.215 8.240 0.004 0.000 0.592 279 D N -1.911 118.486 120.400 -0.004 0.000 2.305 279 D HA 0.087 4.721 4.640 -0.011 0.000 0.206 279 D C 1.469 177.765 176.300 -0.008 0.000 0.974 279 D CA 1.962 55.956 54.000 -0.010 0.000 0.871 279 D CB -0.038 40.753 40.800 -0.016 0.000 0.947 279 D HN 0.252 8.620 8.370 -0.003 0.000 0.516 280 T N -0.143 114.409 114.554 -0.003 0.000 3.057 280 T HA -0.060 4.289 4.350 -0.001 0.000 0.254 280 T C 0.982 175.684 174.700 0.003 0.000 1.094 280 T CA 2.089 64.189 62.100 0.001 0.000 1.088 280 T CB -0.069 68.802 68.868 0.005 0.000 0.934 280 T HN -0.248 7.960 8.240 -0.001 0.031 0.497 281 D N 1.927 122.329 120.400 0.003 0.000 2.310 281 D HA -0.195 4.449 4.640 0.006 0.000 0.212 281 D C 0.738 177.040 176.300 0.003 0.000 0.965 281 D CA 2.317 56.319 54.000 0.004 0.000 0.879 281 D CB -0.338 40.465 40.800 0.004 0.000 0.921 281 D HN -0.066 8.269 8.370 0.002 0.036 0.510 282 E N -2.045 118.156 120.200 0.001 0.000 2.333 282 E HA -0.229 4.121 4.350 0.001 0.000 0.198 282 E C 1.202 177.804 176.600 0.003 0.000 1.007 282 E CA 2.130 58.530 56.400 0.001 0.000 0.845 282 E CB -0.045 29.654 29.700 -0.002 0.000 0.766 282 E HN -0.271 8.033 8.360 -0.000 0.056 0.507 283 T N -0.218 114.339 114.554 0.006 0.000 2.901 283 T HA -0.077 4.278 4.350 0.009 0.000 0.252 283 T C 1.835 176.540 174.700 0.008 0.000 1.035 283 T CA 3.279 65.384 62.100 0.008 0.000 1.142 283 T CB 0.356 69.231 68.868 0.012 0.000 0.869 283 T HN -0.431 7.757 8.240 0.005 0.055 0.442 284 E N 2.155 122.360 120.200 0.008 0.000 2.418 284 E HA -0.162 4.192 4.350 0.008 0.000 0.197 284 E C 1.512 178.115 176.600 0.006 0.000 1.026 284 E CA 1.744 58.148 56.400 0.007 0.000 0.862 284 E CB -0.259 29.445 29.700 0.008 0.000 0.799 284 E HN -0.134 8.231 8.360 0.008 0.000 0.518 285 L N -1.713 119.513 121.223 0.005 0.000 2.551 285 L HA -0.209 4.133 4.340 0.004 0.000 0.228 285 L C 0.269 177.141 176.870 0.003 0.000 1.153 285 L CA 1.625 56.467 54.840 0.004 0.000 0.851 285 L CB -0.222 41.838 42.059 0.003 0.000 0.959 285 L HN -0.508 7.672 8.230 0.005 0.053 0.451 286 A N -2.111 120.711 122.820 0.004 0.000 2.030 286 A HA -0.021 4.301 4.320 0.003 0.000 0.215 286 A C 1.361 178.948 177.584 0.004 0.000 1.164 286 A CA 1.974 54.013 52.037 0.004 0.000 0.697 286 A CB -0.359 18.644 19.000 0.005 0.000 0.827 286 A HN -0.565 7.526 8.150 0.005 0.063 0.457 287 R N -1.842 118.661 120.500 0.004 0.000 2.275 287 R HA -0.131 4.212 4.340 0.004 0.000 0.199 287 R C 1.689 177.991 176.300 0.003 0.000 0.989 287 R CA 1.596 57.699 56.100 0.004 0.000 1.016 287 R CB 0.009 30.312 30.300 0.005 0.000 0.918 287 R HN -0.277 7.996 8.270 0.005 0.000 0.473 288 Q N -1.738 118.064 119.800 0.003 0.000 2.019 288 Q HA -0.135 4.206 4.340 0.002 0.000 0.195 288 Q C 0.473 176.474 176.000 0.001 0.000 0.981 288 Q CA 0.515 56.319 55.803 0.002 0.000 0.832 288 Q CB 0.750 29.490 28.738 0.002 0.000 0.902 288 Q HN -0.492 7.736 8.270 0.003 0.044 0.461 289 M N -2.815 116.785 119.600 0.001 0.000 7.319 289 M HA -0.457 4.023 4.480 -0.001 0.000 0.173 289 M C -1.249 175.050 176.300 -0.002 0.000 0.480 289 M CA 1.173 56.472 55.300 -0.001 0.000 1.311 289 M CB -0.006 32.594 32.600 -0.000 0.000 0.421 289 M HN -0.147 8.144 8.290 0.001 0.000 0.185 290 E N -1.968 118.230 120.200 -0.003 0.000 3.702 290 E HA -0.411 3.936 4.350 -0.005 0.000 0.159 290 E C -1.631 174.966 176.600 -0.005 0.000 1.963 290 E CA 1.023 57.421 56.400 -0.004 0.000 0.824 290 E CB -0.150 29.548 29.700 -0.004 0.000 1.065 290 E HN 0.171 8.530 8.360 -0.002 0.000 0.346 291 R N 2.844 123.341 120.500 -0.006 0.000 2.144 291 R HA 0.047 4.382 4.340 -0.007 0.000 0.195 291 R C 1.935 178.228 176.300 -0.011 0.000 1.077 291 R CA 1.078 57.174 56.100 -0.008 0.000 1.120 291 R CB 0.386 30.682 30.300 -0.006 0.000 1.060 291 R HN -0.027 8.240 8.270 -0.006 0.000 0.520 292 L N 0.236 121.453 121.223 -0.011 0.000 2.509 292 L HA -0.005 4.324 4.340 -0.017 0.000 0.222 292 L C 1.090 177.952 176.870 -0.013 0.000 1.123 292 L CA 0.953 55.785 54.840 -0.014 0.000 0.856 292 L CB 0.060 42.112 42.059 -0.012 0.000 0.985 292 L HN -0.046 8.178 8.230 -0.009 0.000 0.456 293 E N -2.022 118.171 120.200 -0.011 0.000 2.511 293 E HA -0.144 4.199 4.350 -0.010 0.000 0.196 293 E C 0.281 176.874 176.600 -0.011 0.000 1.066 293 E CA 0.730 57.124 56.400 -0.010 0.000 0.871 293 E CB -0.461 29.235 29.700 -0.008 0.000 0.863 293 E HN 0.138 8.446 8.360 -0.010 0.046 0.520 294 R N -1.500 118.992 120.500 -0.013 0.000 2.313 294 R HA -0.059 4.274 4.340 -0.012 0.000 0.199 294 R C 0.382 176.671 176.300 -0.018 0.000 0.958 294 R CA 0.224 56.315 56.100 -0.014 0.000 1.047 294 R CB 0.141 30.432 30.300 -0.015 0.000 0.955 294 R HN -0.713 7.471 8.270 -0.014 0.078 0.481 295 E N -0.856 119.333 120.200 -0.019 0.000 2.442 295 E HA -0.211 4.124 4.350 -0.026 0.000 0.262 295 E C -0.166 176.423 176.600 -0.018 0.000 1.004 295 E CA 0.858 57.245 56.400 -0.021 0.000 0.928 295 E CB 0.344 30.032 29.700 -0.020 0.000 0.937 295 E HN -0.794 7.468 8.360 -0.017 0.088 0.446 296 N N 3.703 122.391 118.700 -0.020 0.000 2.257 296 N HA 0.031 4.763 4.740 -0.014 0.000 0.200 296 N C -0.697 174.804 175.510 -0.016 0.000 1.163 296 N CA 0.567 53.607 53.050 -0.016 0.000 0.891 296 N CB 0.599 39.076 38.487 -0.017 0.000 1.067 296 N HN 0.295 8.661 8.380 -0.024 0.000 0.497 297 A N 0.841 123.649 122.820 -0.019 0.000 2.545 297 A HA 0.048 4.359 4.320 -0.015 0.000 0.297 297 A C -0.111 177.464 177.584 -0.014 0.000 1.340 297 A CA 0.592 52.619 52.037 -0.017 0.000 1.016 297 A CB -0.666 18.322 19.000 -0.021 0.000 1.122 297 A HN -0.193 7.944 8.150 -0.022 0.000 0.537 298 E N 5.598 125.791 120.200 -0.012 0.000 3.012 298 E HA 0.211 4.555 4.350 -0.010 0.000 0.228 298 E C -0.511 176.084 176.600 -0.009 0.000 1.184 298 E CA -0.303 56.091 56.400 -0.010 0.000 1.407 298 E CB 0.045 29.740 29.700 -0.009 0.000 1.438 298 E HN 0.279 8.632 8.360 -0.011 0.000 0.435 299 V N -2.522 117.386 119.914 -0.009 0.000 2.454 299 V HA 0.302 4.417 4.120 -0.007 0.000 0.255 299 V C -0.812 175.277 176.094 -0.008 0.000 1.009 299 V CA -1.235 61.060 62.300 -0.008 0.000 1.149 299 V CB 0.203 32.021 31.823 -0.008 0.000 1.418 299 V HN -0.485 7.646 8.190 -0.011 0.053 0.567 300 D N 3.247 123.643 120.400 -0.008 0.000 2.422 300 D HA 0.078 4.713 4.640 -0.008 0.000 0.227 300 D C 0.400 176.696 176.300 -0.006 0.000 1.190 300 D CA 0.467 54.463 54.000 -0.007 0.000 0.905 300 D CB -0.379 40.417 40.800 -0.007 0.000 1.034 300 D HN -0.007 8.359 8.370 -0.007 0.000 0.507 301 G N 5.519 114.315 108.800 -0.006 0.000 2.011 301 G HA2 -0.145 3.812 3.960 -0.005 0.000 0.054 301 G HA3 -0.145 3.812 3.960 -0.005 0.000 0.054 301 G C -1.270 173.627 174.900 -0.005 0.000 0.853 301 G CA -0.194 44.902 45.100 -0.005 0.000 1.135 301 G HN -0.089 8.197 8.290 -0.007 0.000 0.372 302 D N 0.000 120.397 120.400 -0.005 0.000 6.856 302 D HA 0.000 4.637 4.640 -0.005 0.000 0.175 302 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 302 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 302 D HN 0.000 8.367 8.370 -0.005 0.000 0.683