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 2jog_1_A DATA FIRST_RESID 21 DATA SEQUENCE VPFPPSHRLT AKEVFDNDGK PRVDILKAHL MKEGRLEESV ALRIITEGAS DATA SEQUENCE ILRQEKNLLD IDAPVTVCGD IHGQFFDLMK LFEVGGSPAN TRYLFLGDYV DATA SEQUENCE DRGYFSIECV LYLWALKILY PKTLFLLRGN HECRHLTEYF TFKQECKIKY DATA SEQUENCE SERVYDACMD AFDCLPLAAL MNQQFLCVHG GLSPEINTLD DIRKLDRFKE DATA SEQUENCE PPAYGPMCDI LWSDPLEDFG NEKTQEHFTH NTVRGCSYFY SYPAVCEFLQ DATA SEQUENCE HNNLLSILRA HEAQDAGYRM YRKSQTTGFP SLITIFSAPN YLDVYNNKAA DATA SEQUENCE VLKYENNVMN IRQFNCSPHP YWLPNFM 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 21 V HA 0.000 4.153 4.120 0.055 0.000 0.244 21 V C 0.000 176.152 176.094 0.096 0.000 1.182 21 V CA 0.000 62.338 62.300 0.063 0.000 1.235 21 V CB 0.000 31.857 31.823 0.056 0.000 1.184 22 P HA 0.312 4.812 4.420 0.134 0.000 0.272 22 P C -2.440 174.966 177.300 0.178 0.000 1.223 22 P CA 0.083 63.260 63.100 0.129 0.000 0.784 22 P CB 1.407 33.167 31.700 0.100 0.000 0.923 23 F N 1.211 121.190 119.950 0.048 0.000 2.469 23 F HA 0.351 4.913 4.527 0.058 0.000 0.332 23 F C -2.209 173.624 175.800 0.055 0.000 1.103 23 F CA -3.104 54.928 58.000 0.052 0.000 0.979 23 F CB 2.142 41.168 39.000 0.043 0.000 1.137 23 F HN -0.105 8.363 8.300 0.279 0.000 0.463 24 P HA 0.488 5.090 4.420 -0.146 -0.270 0.271 24 P C -2.567 174.663 177.300 -0.117 0.000 1.220 24 P CA -1.804 61.104 63.100 -0.320 0.000 0.768 24 P CB -0.247 31.229 31.700 -0.374 0.000 0.848 25 P HA 0.114 4.707 4.420 0.288 0.000 0.271 25 P C 0.635 178.043 177.300 0.181 0.000 1.226 25 P CA -0.289 62.931 63.100 0.199 0.000 0.765 25 P CB 0.653 32.507 31.700 0.256 0.000 0.835 26 S N 2.014 117.852 115.700 0.231 0.000 2.428 26 S HA -0.318 4.221 4.470 0.115 0.000 0.230 26 S C 0.044 174.744 174.600 0.166 0.000 1.014 26 S CA 1.003 59.307 58.200 0.173 0.000 0.957 26 S CB -0.194 63.117 63.200 0.185 0.000 0.784 26 S HN 0.240 8.721 8.310 0.284 0.000 0.499 27 H N 4.175 123.319 119.070 0.123 0.000 3.026 27 H HA -0.104 4.491 4.556 0.065 0.000 0.289 27 H C -1.060 174.334 175.328 0.109 0.000 1.022 27 H CA 0.439 56.542 56.048 0.092 0.000 1.477 27 H CB -0.145 29.661 29.762 0.073 0.000 1.510 27 H HN -0.198 8.248 8.280 0.326 0.030 0.535 28 R N 4.887 125.171 120.500 -0.361 0.000 2.308 28 R HA 0.285 4.833 4.340 -0.045 -0.235 0.305 28 R C -0.100 175.914 176.300 -0.477 0.000 1.053 28 R CA -1.775 54.172 56.100 -0.256 0.000 0.957 28 R CB 0.636 30.863 30.300 -0.122 0.000 1.022 28 R HN 0.144 8.232 8.270 -0.303 0.000 0.461 29 L N 5.637 126.679 121.223 -0.302 0.000 2.490 29 L HA -0.009 4.286 4.340 -0.308 -0.140 0.274 29 L C 0.375 177.167 176.870 -0.129 0.000 1.201 29 L CA 0.418 55.102 54.840 -0.259 0.000 0.869 29 L CB -0.151 41.776 42.059 -0.221 0.000 1.123 29 L HN 0.012 8.151 8.230 -0.152 0.000 0.484 30 T N -0.028 114.478 114.554 -0.080 0.000 2.912 30 T HA 0.190 4.534 4.350 -0.010 0.000 0.280 30 T C 0.469 175.194 174.700 0.041 0.000 0.989 30 T CA -2.371 59.723 62.100 -0.011 0.000 0.995 30 T CB 2.132 71.005 68.868 0.009 0.000 1.077 30 T HN 0.256 8.787 8.240 -0.073 -0.334 0.531 31 A N 1.969 124.842 122.820 0.088 0.000 1.873 31 A HA -0.273 4.225 4.320 0.296 0.000 0.218 31 A C 2.023 179.725 177.584 0.197 0.000 1.193 31 A CA 4.014 56.167 52.037 0.194 0.000 0.629 31 A CB -1.083 18.001 19.000 0.140 0.000 0.826 31 A HN 0.683 8.873 8.150 0.066 0.000 0.447 32 K N -2.888 117.579 120.400 0.111 0.000 2.360 32 K HA -0.192 4.307 4.320 0.113 -0.111 0.201 32 K C 2.026 178.663 176.600 0.062 0.000 1.046 32 K CA 2.575 58.915 56.287 0.089 0.000 0.945 32 K CB -0.854 31.679 32.500 0.055 0.000 0.750 32 K HN 0.416 8.716 8.250 0.082 0.000 0.464 33 E N -0.790 119.434 120.200 0.040 0.000 2.190 33 E HA -0.163 4.191 4.350 0.007 0.000 0.191 33 E C 2.098 178.667 176.600 -0.052 0.000 0.978 33 E CA 2.462 58.862 56.400 -0.000 0.000 0.839 33 E CB 0.439 30.134 29.700 -0.007 0.000 0.787 33 E HN -0.447 7.742 8.360 0.049 0.201 0.473 34 V N -1.076 118.786 119.914 -0.085 0.000 2.685 34 V HA -0.194 3.781 4.120 -0.242 0.000 0.244 34 V C -0.641 175.182 176.094 -0.451 0.000 1.054 34 V CA 3.106 65.231 62.300 -0.292 0.000 1.076 34 V CB 1.043 32.619 31.823 -0.411 0.000 0.725 34 V HN -0.252 7.823 8.190 -0.012 0.108 0.467 35 F N -2.478 117.459 119.950 -0.022 0.000 2.436 35 F HA 0.304 4.978 4.527 -0.036 -0.169 0.340 35 F C -1.218 174.569 175.800 -0.023 0.000 1.113 35 F CA -1.256 56.727 58.000 -0.029 0.000 1.022 35 F CB 1.958 40.940 39.000 -0.030 0.000 1.128 35 F HN 0.224 8.492 8.300 0.135 0.114 0.466 36 D N 0.865 121.347 120.400 0.136 0.000 2.433 36 D HA 0.101 4.776 4.640 0.059 0.000 0.255 36 D C 1.524 177.867 176.300 0.073 0.000 1.226 36 D CA -1.779 52.265 54.000 0.074 0.000 1.015 36 D CB 0.774 41.596 40.800 0.037 0.000 1.091 36 D HN 0.276 8.619 8.370 0.129 0.105 0.527 37 N N -1.271 117.454 118.700 0.041 0.000 2.272 37 N HA -0.275 4.481 4.740 0.027 0.000 0.185 37 N C -0.376 175.147 175.510 0.021 0.000 1.014 37 N CA 2.491 55.558 53.050 0.027 0.000 0.870 37 N CB -0.634 37.863 38.487 0.017 0.000 0.975 37 N HN 0.362 8.762 8.380 0.033 0.000 0.433 38 D N -3.112 117.303 120.400 0.025 0.000 2.363 38 D HA -0.010 4.634 4.640 0.007 0.000 0.226 38 D C 0.590 176.902 176.300 0.019 0.000 1.020 38 D CA 0.169 54.178 54.000 0.016 0.000 0.892 38 D CB -0.634 40.173 40.800 0.012 0.000 0.900 38 D HN -0.217 8.248 8.370 0.029 -0.077 0.531 39 G N -1.068 107.758 108.800 0.043 0.000 2.155 39 G HA2 -0.479 3.709 3.960 0.122 0.000 0.257 39 G HA3 -0.479 3.470 3.960 -0.018 0.000 0.257 39 G C -0.666 174.319 174.900 0.142 0.000 0.983 39 G CA 0.597 45.723 45.100 0.044 0.000 0.676 39 G HN 0.170 8.301 8.290 0.055 0.192 0.528 40 K N 1.606 122.086 120.400 0.132 0.000 2.183 40 K HA 0.360 4.745 4.320 0.107 0.000 0.274 40 K C -1.884 174.776 176.600 0.099 0.000 1.009 40 K CA -3.194 53.153 56.287 0.100 0.000 0.888 40 K CB 0.403 32.901 32.500 -0.003 0.000 1.078 40 K HN -0.038 8.578 8.250 0.089 -0.312 0.459 41 P HA 0.312 4.554 4.420 -0.682 -0.231 0.271 41 P C -0.147 177.006 177.300 -0.244 0.000 1.218 41 P CA -0.479 62.400 63.100 -0.369 0.000 0.780 41 P CB 0.773 32.202 31.700 -0.451 0.000 0.901 42 R N 2.994 123.344 120.500 -0.249 0.000 2.825 42 R HA 0.275 4.558 4.340 -0.095 0.000 0.261 42 R C 1.098 177.337 176.300 -0.102 0.000 1.341 42 R CA -1.361 54.660 56.100 -0.131 0.000 1.353 42 R CB -1.133 29.111 30.300 -0.094 0.000 1.191 42 R HN 0.589 8.549 8.270 -0.351 0.099 0.590 43 V N 0.792 120.651 119.914 -0.093 0.000 2.546 43 V HA -0.510 3.575 4.120 -0.057 0.000 0.254 43 V C 0.384 176.510 176.094 0.053 0.000 1.076 43 V CA 3.554 65.830 62.300 -0.040 0.000 1.087 43 V CB -0.167 31.616 31.823 -0.068 0.000 0.674 43 V HN -0.409 7.716 8.190 -0.109 0.000 0.470 44 D N -0.981 119.434 120.400 0.025 0.000 2.097 44 D HA -0.262 4.409 4.640 0.052 0.000 0.197 44 D C 1.440 177.766 176.300 0.044 0.000 0.984 44 D CA 2.460 56.483 54.000 0.038 0.000 0.826 44 D CB -0.952 39.861 40.800 0.021 0.000 0.973 44 D HN 0.028 8.361 8.370 0.001 0.038 0.460 45 I N 0.080 120.661 120.570 0.020 0.000 2.315 45 I HA -0.262 3.927 4.170 0.030 0.000 0.248 45 I C 2.290 178.442 176.117 0.058 0.000 1.117 45 I CA 1.455 62.767 61.300 0.020 0.000 1.404 45 I CB -0.938 37.049 38.000 -0.022 0.000 1.071 45 I HN -0.609 7.516 8.210 -0.004 0.083 0.419 46 L N 0.858 122.119 121.223 0.062 0.000 2.027 46 L HA -0.354 4.060 4.340 0.124 0.000 0.206 46 L C 1.004 177.988 176.870 0.190 0.000 1.074 46 L CA 3.430 58.346 54.840 0.127 0.000 0.745 46 L CB -0.518 41.608 42.059 0.113 0.000 0.898 46 L HN 0.186 8.432 8.230 0.026 0.000 0.433 47 K N -0.540 119.991 120.400 0.218 0.000 2.020 47 K HA -0.517 3.878 4.320 0.125 0.000 0.212 47 K C 2.081 178.729 176.600 0.081 0.000 1.050 47 K CA 3.797 60.174 56.287 0.150 0.000 0.929 47 K CB -0.229 32.350 32.500 0.131 0.000 0.714 47 K HN 0.083 8.354 8.250 0.221 0.111 0.443 48 A N -2.655 120.215 122.820 0.084 0.000 1.883 48 A HA -0.304 4.039 4.320 0.039 0.000 0.217 48 A C 2.268 179.914 177.584 0.104 0.000 1.186 48 A CA 3.018 55.098 52.037 0.072 0.000 0.624 48 A CB -0.950 18.093 19.000 0.072 0.000 0.822 48 A HN -0.471 7.732 8.150 0.089 0.000 0.444 49 H N -0.218 118.867 119.070 0.025 0.000 2.293 49 H HA -0.256 4.319 4.556 0.031 0.000 0.300 49 H C 2.634 177.961 175.328 -0.001 0.000 1.082 49 H CA 3.090 59.151 56.048 0.021 0.000 1.308 49 H CB 0.035 29.811 29.762 0.023 0.000 1.375 49 H HN -0.660 7.750 8.280 0.218 0.000 0.495 50 L N -0.843 120.363 121.223 -0.028 0.000 2.081 50 L HA -0.386 3.791 4.340 -0.272 0.000 0.212 50 L C 3.028 179.830 176.870 -0.114 0.000 1.080 50 L CA 3.098 57.845 54.840 -0.155 0.000 0.754 50 L CB -0.316 41.641 42.059 -0.170 0.000 0.893 50 L HN 0.593 8.775 8.230 0.102 0.110 0.433 51 M N -1.809 117.766 119.600 -0.041 0.000 2.279 51 M HA -0.296 4.096 4.480 -0.146 0.000 0.264 51 M C 1.035 177.285 176.300 -0.085 0.000 1.062 51 M CA 3.138 58.387 55.300 -0.085 0.000 1.099 51 M CB -0.135 32.431 32.600 -0.058 0.000 1.394 51 M HN -0.071 8.126 8.290 0.001 0.093 0.426 52 K N -3.366 116.983 120.400 -0.085 0.000 2.437 52 K HA 0.130 4.442 4.320 -0.013 0.000 0.198 52 K C -0.998 175.535 176.600 -0.111 0.000 1.024 52 K CA -0.664 55.586 56.287 -0.061 0.000 1.148 52 K CB -0.055 32.432 32.500 -0.021 0.000 0.860 52 K HN -0.330 7.697 8.250 -0.099 0.164 0.515 53 E N -5.562 114.546 120.200 -0.153 0.000 2.553 53 E HA -0.410 3.913 4.350 -0.118 -0.045 0.264 53 E C -1.190 175.275 176.600 -0.224 0.000 1.068 53 E CA 0.548 56.873 56.400 -0.125 0.000 0.774 53 E CB -2.075 27.619 29.700 -0.011 0.000 1.349 53 E HN -0.010 8.036 8.360 -0.170 0.212 0.404 54 G N -3.181 105.332 108.800 -0.478 0.000 2.400 54 G HA2 0.368 4.126 3.960 -0.336 0.000 0.301 54 G HA3 0.368 3.072 3.960 -2.093 0.000 0.301 54 G C -1.370 173.333 174.900 -0.328 0.000 1.154 54 G CA -0.625 44.013 45.100 -0.770 0.000 0.852 54 G HN -0.501 7.487 8.290 -0.502 0.000 0.511 55 R N -0.193 120.292 120.500 -0.025 0.000 2.832 55 R HA 0.329 4.712 4.340 0.071 0.000 0.271 55 R C -1.637 174.767 176.300 0.173 0.000 0.996 55 R CA -0.733 55.408 56.100 0.068 0.000 0.977 55 R CB 3.831 34.097 30.300 -0.056 0.000 1.168 55 R HN 0.024 8.314 8.270 0.033 0.000 0.482 56 L N -1.247 120.096 121.223 0.200 0.000 2.376 56 L HA 0.268 4.740 4.340 0.075 -0.087 0.267 56 L C 0.241 177.215 176.870 0.173 0.000 1.035 56 L CA -1.452 53.476 54.840 0.146 0.000 0.800 56 L CB 1.541 43.672 42.059 0.120 0.000 1.290 56 L HN -0.114 8.287 8.230 0.285 0.000 0.462 57 E N 0.679 120.937 120.200 0.097 0.000 2.338 57 E HA -0.030 4.370 4.350 0.083 0.000 0.272 57 E C 0.867 177.564 176.600 0.163 0.000 1.029 57 E CA -0.636 55.822 56.400 0.097 0.000 0.872 57 E CB 0.813 30.532 29.700 0.033 0.000 1.015 57 E HN -0.303 8.088 8.360 0.050 0.000 0.417 58 E N 5.672 125.993 120.200 0.202 0.000 2.187 58 E HA -0.448 4.038 4.350 0.226 0.000 0.199 58 E C 1.378 178.001 176.600 0.040 0.000 1.004 58 E CA 3.784 60.288 56.400 0.173 0.000 0.813 58 E CB -0.130 29.663 29.700 0.156 0.000 0.736 58 E HN 0.649 9.108 8.360 0.165 0.000 0.468 59 S N -1.204 114.520 115.700 0.039 0.000 2.368 59 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 59 S C 2.155 176.767 174.600 0.020 0.000 1.029 59 S CA 3.053 61.262 58.200 0.016 0.000 0.988 59 S CB -0.537 62.673 63.200 0.017 0.000 0.838 59 S HN 0.154 8.472 8.310 0.053 0.024 0.462 60 V N 2.758 122.701 119.914 0.049 0.000 2.307 60 V HA -0.495 3.698 4.120 0.122 0.000 0.245 60 V C 1.237 177.368 176.094 0.061 0.000 1.045 60 V CA 3.595 65.950 62.300 0.091 0.000 1.024 60 V CB -0.260 31.626 31.823 0.106 0.000 0.651 60 V HN -0.362 7.768 8.190 0.054 0.092 0.449 61 A N -0.337 122.474 122.820 -0.015 0.000 1.908 61 A HA -0.365 3.906 4.320 -0.082 0.000 0.218 61 A C 1.855 179.361 177.584 -0.129 0.000 1.181 61 A CA 3.382 55.342 52.037 -0.128 0.000 0.627 61 A CB -0.754 18.020 19.000 -0.378 0.000 0.818 61 A HN 0.112 8.263 8.150 0.002 0.000 0.445 62 L N -2.704 118.451 121.223 -0.113 0.000 2.083 62 L HA -0.413 3.843 4.340 -0.140 0.000 0.209 62 L C 2.010 178.852 176.870 -0.046 0.000 1.083 62 L CA 2.902 57.683 54.840 -0.098 0.000 0.752 62 L CB -0.506 41.506 42.059 -0.078 0.000 0.899 62 L HN -0.424 7.749 8.230 -0.096 0.000 0.433 63 R N -0.142 120.350 120.500 -0.015 0.000 2.075 63 R HA -0.303 4.017 4.340 -0.033 0.000 0.232 63 R C 2.530 178.854 176.300 0.040 0.000 1.126 63 R CA 3.480 59.574 56.100 -0.011 0.000 0.963 63 R CB -0.236 30.045 30.300 -0.032 0.000 0.858 63 R HN -0.564 7.592 8.270 -0.007 0.110 0.435 64 I N -0.630 120.008 120.570 0.114 0.000 2.179 64 I HA -0.457 3.870 4.170 0.262 0.000 0.242 64 I C 2.110 178.365 176.117 0.230 0.000 1.088 64 I CA 4.191 65.613 61.300 0.205 0.000 1.357 64 I CB 0.080 38.200 38.000 0.200 0.000 1.051 64 I HN -0.127 8.144 8.210 0.102 0.000 0.409 65 I N -0.459 120.155 120.570 0.074 0.000 2.142 65 I HA -0.612 3.527 4.170 -0.052 0.000 0.240 65 I C 1.978 178.214 176.117 0.198 0.000 1.078 65 I CA 4.854 66.161 61.300 0.011 0.000 1.343 65 I CB -0.215 37.637 38.000 -0.246 0.000 1.046 65 I HN -0.125 8.077 8.210 -0.013 0.000 0.405 66 T N 1.007 115.609 114.554 0.080 0.000 2.788 66 T HA -0.456 3.942 4.350 0.079 0.000 0.268 66 T C 1.931 176.690 174.700 0.098 0.000 1.044 66 T CA 4.744 66.887 62.100 0.072 0.000 1.139 66 T CB -0.329 68.545 68.868 0.010 0.000 0.867 66 T HN -0.082 8.171 8.240 0.021 0.000 0.454 67 E N 0.301 120.559 120.200 0.097 0.000 2.106 67 E HA -0.279 4.084 4.350 0.022 0.000 0.192 67 E C 2.458 179.114 176.600 0.093 0.000 0.984 67 E CA 2.621 59.059 56.400 0.063 0.000 0.806 67 E CB -0.118 29.597 29.700 0.025 0.000 0.750 67 E HN -0.030 8.271 8.360 0.097 0.117 0.458 68 G N -1.752 107.173 108.800 0.209 0.000 2.403 68 G HA2 -0.179 3.789 3.960 0.014 0.000 0.216 68 G HA3 -0.179 3.788 3.960 0.012 0.000 0.216 68 G C 0.677 175.605 174.900 0.047 0.000 1.154 68 G CA 1.426 46.560 45.100 0.057 0.000 0.784 68 G HN -0.030 8.377 8.290 0.346 0.091 0.538 69 A N 2.338 125.306 122.820 0.247 0.000 1.902 69 A HA -0.274 4.188 4.320 0.238 0.000 0.217 69 A C 1.909 179.570 177.584 0.129 0.000 1.181 69 A CA 2.653 54.823 52.037 0.222 0.000 0.623 69 A CB -0.515 18.632 19.000 0.245 0.000 0.818 69 A HN 0.049 8.407 8.150 0.348 0.000 0.443 70 S N -0.924 114.830 115.700 0.090 0.000 2.370 70 S HA -0.381 4.127 4.470 0.063 0.000 0.226 70 S C 2.061 176.689 174.600 0.047 0.000 1.033 70 S CA 3.546 61.781 58.200 0.057 0.000 1.011 70 S CB -0.083 63.135 63.200 0.029 0.000 0.852 70 S HN -0.706 7.662 8.310 0.096 0.000 0.457 71 I N 1.198 121.781 120.570 0.022 0.000 2.202 71 I HA -0.401 3.775 4.170 0.010 0.000 0.242 71 I C 2.115 178.244 176.117 0.020 0.000 1.091 71 I CA 3.444 64.746 61.300 0.002 0.000 1.368 71 I CB 0.036 38.010 38.000 -0.044 0.000 1.058 71 I HN -0.895 7.325 8.210 0.017 0.000 0.410 72 L N -0.576 120.653 121.223 0.010 0.000 2.083 72 L HA -0.325 4.196 4.340 0.013 -0.173 0.209 72 L C 2.617 179.555 176.870 0.114 0.000 1.083 72 L CA 2.736 57.594 54.840 0.030 0.000 0.752 72 L CB -0.592 41.466 42.059 -0.002 0.000 0.899 72 L HN -0.127 8.095 8.230 -0.013 0.000 0.433 73 R N -1.724 118.883 120.500 0.178 0.000 2.159 73 R HA -0.407 4.274 4.340 0.567 0.000 0.237 73 R C 2.231 178.699 176.300 0.280 0.000 1.131 73 R CA 3.299 59.601 56.100 0.337 0.000 0.982 73 R CB -0.242 30.201 30.300 0.238 0.000 0.868 73 R HN 0.283 8.523 8.270 0.142 0.115 0.453 74 Q N -2.527 117.364 119.800 0.152 0.000 2.311 74 Q HA -0.139 4.273 4.340 0.121 0.000 0.203 74 Q C 0.393 176.464 176.000 0.118 0.000 0.954 74 Q CA 1.159 57.032 55.803 0.116 0.000 0.885 74 Q CB 0.297 29.077 28.738 0.069 0.000 0.963 74 Q HN -0.521 7.670 8.270 0.116 0.149 0.471 75 E N 0.271 120.537 120.200 0.111 0.000 2.392 75 E HA -0.042 4.362 4.350 0.089 0.000 0.256 75 E C -1.795 174.851 176.600 0.077 0.000 1.145 75 E CA -0.020 56.433 56.400 0.089 0.000 0.929 75 E CB 0.944 30.691 29.700 0.079 0.000 0.998 75 E HN -0.590 7.659 8.360 0.111 0.177 0.442 76 K N -0.697 119.734 120.400 0.052 0.000 2.123 76 K HA 0.047 4.390 4.320 0.039 0.000 0.248 76 K C 0.604 177.196 176.600 -0.014 0.000 0.969 76 K CA -0.704 55.600 56.287 0.028 0.000 0.882 76 K CB 1.251 33.772 32.500 0.035 0.000 1.080 76 K HN 0.128 8.411 8.250 0.055 0.000 0.441 77 N N 0.114 118.789 118.700 -0.041 0.000 2.060 77 N HA -0.319 4.364 4.740 -0.095 0.000 0.195 77 N C -0.466 175.028 175.510 -0.027 0.000 1.028 77 N CA 2.887 55.901 53.050 -0.059 0.000 0.861 77 N CB -0.109 38.345 38.487 -0.055 0.000 1.029 77 N HN 0.242 8.603 8.380 -0.031 0.000 0.428 78 L N -1.818 119.400 121.223 -0.009 0.000 2.337 78 L HA 0.492 4.986 4.340 -0.007 -0.158 0.269 78 L C -1.375 175.491 176.870 -0.006 0.000 1.018 78 L CA -1.183 53.655 54.840 -0.003 0.000 0.876 78 L CB 0.480 42.544 42.059 0.009 0.000 1.236 78 L HN -0.566 7.662 8.230 -0.004 0.000 0.436 79 L N 6.736 127.947 121.223 -0.020 0.000 2.439 79 L HA 0.087 4.419 4.340 -0.012 0.000 0.269 79 L C -0.972 175.863 176.870 -0.059 0.000 1.179 79 L CA 0.584 55.401 54.840 -0.038 0.000 0.828 79 L CB 0.969 42.984 42.059 -0.073 0.000 1.106 79 L HN -0.227 7.990 8.230 -0.022 0.000 0.467 80 D N 2.463 122.834 120.400 -0.049 0.000 2.389 80 D HA 0.429 5.230 4.640 -0.051 -0.192 0.256 80 D C -1.039 175.233 176.300 -0.047 0.000 1.239 80 D CA -0.318 53.657 54.000 -0.042 0.000 0.925 80 D CB 1.401 42.193 40.800 -0.014 0.000 1.145 80 D HN 0.118 8.470 8.370 -0.031 0.000 0.542 81 I N 2.236 122.755 120.570 -0.085 0.000 2.498 81 I HA 0.181 4.339 4.170 -0.020 0.000 0.290 81 I C -1.405 174.696 176.117 -0.027 0.000 1.032 81 I CA -1.099 60.163 61.300 -0.064 0.000 1.073 81 I CB 3.774 41.693 38.000 -0.136 0.000 1.251 81 I HN -0.420 7.722 8.210 -0.113 0.000 0.426 82 D N 8.417 128.826 120.400 0.016 0.000 2.499 82 D HA 0.167 4.921 4.640 0.058 -0.080 0.225 82 D C -1.664 174.673 176.300 0.062 0.000 1.124 82 D CA 0.137 54.165 54.000 0.047 0.000 0.938 82 D CB -0.717 40.113 40.800 0.051 0.000 1.014 82 D HN 0.370 8.752 8.370 0.021 0.000 0.517 83 A N 3.106 125.968 122.820 0.070 0.000 2.608 83 A HA 0.344 4.709 4.320 0.075 0.000 0.292 83 A C -2.994 174.643 177.584 0.089 0.000 1.066 83 A CA -2.074 50.009 52.037 0.076 0.000 0.676 83 A CB 2.133 21.179 19.000 0.078 0.000 1.277 83 A HN -0.602 7.586 8.150 0.062 0.000 0.413 84 P HA 0.239 4.924 4.420 0.097 -0.207 0.270 84 P C -1.278 176.039 177.300 0.029 0.000 1.242 84 P CA -0.236 62.892 63.100 0.048 0.000 0.768 84 P CB -0.318 31.374 31.700 -0.013 0.000 0.820 85 V N 2.982 122.915 119.914 0.031 0.000 3.007 85 V HA 0.339 4.558 4.120 -0.023 -0.113 0.311 85 V C -1.084 174.983 176.094 -0.044 0.000 1.120 85 V CA -2.250 60.051 62.300 0.003 0.000 0.980 85 V CB 3.771 35.630 31.823 0.060 0.000 1.033 85 V HN -0.246 7.984 8.190 0.066 0.000 0.429 86 T N 6.304 120.788 114.554 -0.117 0.000 2.743 86 T HA 0.630 5.152 4.350 -0.083 -0.222 0.292 86 T C -0.565 174.110 174.700 -0.042 0.000 0.972 86 T CA -0.195 61.829 62.100 -0.127 0.000 0.967 86 T CB 0.652 69.342 68.868 -0.296 0.000 0.926 86 T HN 0.090 8.235 8.240 -0.159 0.000 0.459 87 V N 7.617 127.513 119.914 -0.030 0.000 2.583 87 V HA 0.121 4.421 4.120 -0.008 -0.185 0.287 87 V C -0.673 175.385 176.094 -0.059 0.000 1.051 87 V CA -0.277 62.008 62.300 -0.025 0.000 1.010 87 V CB 0.837 32.652 31.823 -0.014 0.000 0.988 87 V HN 0.975 9.053 8.190 -0.035 0.091 0.478 88 C N 5.003 124.216 119.300 -0.144 0.000 2.493 88 C HA 0.480 4.860 4.460 -0.134 0.000 0.326 88 C C 0.019 174.936 174.990 -0.121 0.000 1.200 88 C CA -1.868 57.010 59.018 -0.233 0.000 1.739 88 C CB 3.035 30.366 27.740 -0.682 0.000 2.300 88 C HN 0.977 9.031 8.230 -0.136 0.094 0.500 89 G N 0.642 109.385 108.800 -0.095 0.000 2.510 89 G HA2 0.077 4.026 3.960 -0.018 0.000 0.280 89 G HA3 0.077 4.093 3.960 -0.078 -0.103 0.280 89 G C -1.276 173.549 174.900 -0.125 0.000 1.386 89 G CA -1.294 43.763 45.100 -0.071 0.000 1.047 89 G HN 0.687 8.916 8.290 -0.101 0.000 0.527 90 D N -1.355 118.896 120.400 -0.248 0.000 2.472 90 D HA -0.222 4.479 4.640 -0.161 -0.158 0.237 90 D C 0.191 176.262 176.300 -0.382 0.000 1.141 90 D CA 1.672 55.467 54.000 -0.341 0.000 0.875 90 D CB 0.090 40.608 40.800 -0.471 0.000 1.192 90 D HN -0.038 8.210 8.370 -0.203 0.000 0.450 91 I N -0.196 120.267 120.570 -0.178 0.000 3.300 91 I HA 0.028 4.173 4.170 -0.041 0.000 0.279 91 I C 0.281 176.426 176.117 0.048 0.000 1.172 91 I CA -0.388 60.911 61.300 -0.001 0.000 1.431 91 I CB 1.300 39.444 38.000 0.240 0.000 1.240 91 I HN 0.457 8.570 8.210 -0.162 0.000 0.453 92 H N -1.376 117.686 119.070 -0.015 0.000 2.819 92 H HA -0.262 4.434 4.556 -0.173 -0.245 0.323 92 H C 0.076 175.446 175.328 0.069 0.000 1.243 92 H CA 1.115 57.136 56.048 -0.046 0.000 1.163 92 H CB -2.988 26.777 29.762 0.004 0.000 1.493 92 H HN -0.054 8.077 8.280 -0.249 0.000 0.434 93 G N -4.287 104.640 108.800 0.212 0.000 2.337 93 G HA2 -0.506 3.646 3.960 0.300 0.000 0.290 93 G HA3 -0.506 3.674 3.960 0.280 -0.053 0.290 93 G C -0.318 174.825 174.900 0.404 0.000 1.003 93 G CA 0.893 46.170 45.100 0.296 0.000 0.825 93 G HN 0.392 8.626 8.290 0.153 0.147 0.509 94 Q N -0.554 119.455 119.800 0.348 0.000 3.247 94 Q HA -0.027 4.590 4.340 0.462 0.000 0.326 94 Q C -0.592 175.621 176.000 0.355 0.000 1.402 94 Q CA -1.517 54.507 55.803 0.368 0.000 0.994 94 Q CB -1.701 27.192 28.738 0.258 0.000 1.647 94 Q HN -0.695 7.595 8.270 0.283 0.149 0.523 95 F N 2.317 122.420 119.950 0.256 0.000 2.120 95 F HA -0.412 4.145 4.527 0.051 0.000 0.300 95 F C 0.949 176.727 175.800 -0.038 0.000 1.095 95 F CA 3.916 61.947 58.000 0.051 0.000 1.249 95 F CB 0.247 39.202 39.000 -0.074 0.000 0.995 95 F HN -0.538 8.089 8.300 0.648 0.062 0.480 96 F N -4.487 115.435 119.950 -0.046 0.000 2.250 96 F HA -0.397 3.999 4.527 -0.220 0.000 0.301 96 F C 1.646 177.378 175.800 -0.112 0.000 1.077 96 F CA 3.521 61.449 58.000 -0.119 0.000 1.348 96 F CB -0.497 38.507 39.000 0.007 0.000 1.040 96 F HN 0.083 8.750 8.300 0.617 0.004 0.509 97 D N -2.304 118.175 120.400 0.131 0.000 2.346 97 D HA 0.047 4.724 4.640 0.062 0.000 0.206 97 D C 1.842 178.088 176.300 -0.089 0.000 1.001 97 D CA 2.014 56.049 54.000 0.058 0.000 0.871 97 D CB 0.725 41.605 40.800 0.132 0.000 0.943 97 D HN -0.241 8.100 8.370 0.211 0.155 0.518 98 L N 0.735 121.872 121.223 -0.144 0.000 2.240 98 L HA -0.192 4.016 4.340 -0.220 0.000 0.211 98 L C 1.264 177.985 176.870 -0.248 0.000 1.106 98 L CA 2.597 57.318 54.840 -0.197 0.000 0.793 98 L CB -0.073 41.954 42.059 -0.054 0.000 0.927 98 L HN -0.325 7.653 8.230 -0.120 0.179 0.446 99 M N -2.224 117.137 119.600 -0.397 0.000 2.132 99 M HA -0.296 4.050 4.480 -0.223 0.000 0.263 99 M C 2.263 178.454 176.300 -0.181 0.000 1.065 99 M CA 2.275 57.375 55.300 -0.333 0.000 1.122 99 M CB -1.436 30.856 32.600 -0.514 0.000 1.365 99 M HN -0.193 7.772 8.290 -0.506 0.021 0.411 100 K N -0.444 119.835 120.400 -0.202 0.000 2.097 100 K HA -0.208 4.030 4.320 -0.136 0.000 0.205 100 K C 2.129 178.525 176.600 -0.341 0.000 1.050 100 K CA 2.008 58.182 56.287 -0.188 0.000 0.938 100 K CB -0.613 31.814 32.500 -0.122 0.000 0.718 100 K HN -0.630 7.497 8.250 -0.205 0.000 0.442 101 L N -0.840 120.076 121.223 -0.510 0.000 2.013 101 L HA -0.409 3.038 4.340 -1.488 0.000 0.212 101 L C 1.705 178.215 176.870 -0.599 0.000 1.073 101 L CA 3.299 57.609 54.840 -0.883 0.000 0.753 101 L CB -0.185 41.386 42.059 -0.813 0.000 0.890 101 L HN -0.652 7.337 8.230 -0.401 0.000 0.432 102 F N -2.521 117.223 119.950 -0.344 0.000 2.216 102 F HA -0.272 4.103 4.527 -0.254 0.000 0.300 102 F C 2.886 178.615 175.800 -0.118 0.000 1.085 102 F CA 2.846 60.701 58.000 -0.240 0.000 1.326 102 F CB -0.727 38.136 39.000 -0.228 0.000 1.027 102 F HN -0.549 7.536 8.300 -0.358 0.000 0.497 103 E N -0.309 119.898 120.200 0.011 0.000 2.072 103 E HA -0.291 4.079 4.350 0.034 0.000 0.191 103 E C 2.382 178.971 176.600 -0.019 0.000 0.985 103 E CA 2.959 59.355 56.400 -0.006 0.000 0.801 103 E CB -0.177 29.498 29.700 -0.043 0.000 0.750 103 E HN -0.686 7.510 8.360 -0.058 0.129 0.452 104 V N -1.079 118.774 119.914 -0.102 0.000 2.488 104 V HA -0.297 3.820 4.120 -0.005 0.000 0.246 104 V C 1.636 177.733 176.094 0.005 0.000 1.046 104 V CA 2.683 64.949 62.300 -0.056 0.000 1.053 104 V CB 0.264 32.032 31.823 -0.091 0.000 0.679 104 V HN -0.233 7.830 8.190 -0.213 0.000 0.458 105 G N -4.188 104.614 108.800 0.004 0.000 2.464 105 G HA2 -0.091 3.916 3.960 0.078 0.000 0.217 105 G HA3 -0.091 4.014 3.960 0.241 0.000 0.217 105 G C -0.436 174.573 174.900 0.182 0.000 1.138 105 G CA 0.197 45.377 45.100 0.134 0.000 0.793 105 G HN 0.092 8.211 8.290 -0.104 0.108 0.539 106 G N -0.403 108.529 108.800 0.220 0.000 2.459 106 G HA2 -0.217 3.943 3.960 0.154 0.000 0.685 106 G HA3 -0.217 3.820 3.960 0.129 0.000 0.685 106 G C -1.382 173.692 174.900 0.291 0.000 1.303 106 G CA -0.833 44.378 45.100 0.185 0.000 0.907 106 G HN -0.343 7.925 8.290 0.186 0.133 0.632 107 S N 0.488 116.278 115.700 0.150 0.000 2.549 107 S HA 0.198 4.716 4.470 0.079 0.000 0.283 107 S C 0.231 174.898 174.600 0.111 0.000 1.320 107 S CA -3.312 54.943 58.200 0.090 0.000 1.058 107 S CB 0.632 63.836 63.200 0.006 0.000 0.882 107 S HN 0.215 8.578 8.310 0.089 0.000 0.498 108 P HA 0.088 4.888 4.420 0.324 -0.185 0.230 108 P C -0.384 176.727 177.300 -0.315 0.000 1.158 108 P CA 1.222 64.337 63.100 0.026 0.000 0.769 108 P CB 0.271 31.867 31.700 -0.173 0.000 0.807 109 A N -2.469 120.137 122.820 -0.357 0.000 2.019 109 A HA -0.168 3.377 4.320 -1.292 0.000 0.219 109 A C 0.394 177.708 177.584 -0.451 0.000 1.164 109 A CA 2.079 53.765 52.037 -0.586 0.000 0.644 109 A CB 0.069 18.934 19.000 -0.226 0.000 0.805 109 A HN -0.480 7.491 8.150 -0.197 0.060 0.449 110 N N -6.471 112.088 118.700 -0.235 0.000 2.167 110 N HA 0.059 4.697 4.740 -0.169 0.000 0.234 110 N C -0.979 174.471 175.510 -0.100 0.000 1.312 110 N CA 0.084 53.046 53.050 -0.147 0.000 0.861 110 N CB 2.258 40.693 38.487 -0.087 0.000 1.217 110 N HN -0.488 7.758 8.380 -0.169 0.032 0.504 111 T N 2.906 117.409 114.554 -0.085 0.000 2.848 111 T HA 0.209 4.497 4.350 -0.103 0.000 0.285 111 T C -1.439 173.220 174.700 -0.068 0.000 0.995 111 T CA -0.742 61.309 62.100 -0.082 0.000 0.970 111 T CB 2.683 71.514 68.868 -0.061 0.000 0.976 111 T HN -0.724 7.321 8.240 -0.103 0.133 0.441 112 R N 6.215 126.649 120.500 -0.110 0.000 2.298 112 R HA 0.450 5.019 4.340 0.074 -0.185 0.310 112 R C -0.610 175.630 176.300 -0.100 0.000 1.068 112 R CA -0.108 55.989 56.100 -0.004 0.000 0.957 112 R CB 0.613 30.958 30.300 0.075 0.000 1.003 112 R HN 0.505 8.700 8.270 -0.125 0.000 0.454 113 Y N 2.031 122.436 120.300 0.175 0.000 2.562 113 Y HA 0.476 5.200 4.550 0.092 -0.118 0.343 113 Y C -1.509 174.539 175.900 0.247 0.000 1.025 113 Y CA -1.061 57.142 58.100 0.173 0.000 1.082 113 Y CB 4.634 43.248 38.460 0.256 0.000 1.264 113 Y HN 0.513 9.000 8.280 0.345 0.000 0.478 114 L N -0.434 120.976 121.223 0.312 0.000 2.528 114 L HA 0.704 5.556 4.340 0.468 -0.232 0.267 114 L C -2.357 174.609 176.870 0.161 0.000 0.961 114 L CA -0.863 54.161 54.840 0.307 0.000 0.866 114 L CB 3.488 45.668 42.059 0.202 0.000 1.248 114 L HN 0.711 9.061 8.230 0.201 0.000 0.404 115 F N 3.643 123.706 119.950 0.187 0.000 2.399 115 F HA 0.248 4.883 4.527 0.181 0.000 0.334 115 F C 0.424 176.374 175.800 0.251 0.000 1.097 115 F CA -0.419 57.710 58.000 0.216 0.000 1.076 115 F CB 1.929 41.033 39.000 0.175 0.000 1.162 115 F HN 0.849 9.540 8.300 0.652 0.000 0.495 116 L N 1.692 123.130 121.223 0.359 0.000 2.611 116 L HA 0.120 4.582 4.340 0.204 0.000 0.229 116 L C -0.062 176.930 176.870 0.204 0.000 1.137 116 L CA -0.637 54.350 54.840 0.246 0.000 0.901 116 L CB -1.053 41.108 42.059 0.171 0.000 1.098 116 L HN -0.014 8.406 8.230 0.317 0.000 0.456 117 G N -2.575 106.289 108.800 0.108 0.000 2.500 117 G HA2 -0.363 2.650 3.960 -1.578 0.000 0.209 117 G HA3 -0.363 3.275 3.960 -0.644 -0.065 0.209 117 G C -1.819 172.498 174.900 -0.971 0.000 1.283 117 G CA -0.997 43.628 45.100 -0.791 0.000 0.960 117 G HN -0.753 7.813 8.290 0.599 0.083 0.528 118 D N -1.522 118.266 120.400 -1.020 0.000 2.927 118 D HA -0.362 3.891 4.640 -0.644 0.000 0.236 118 D C -0.654 175.321 176.300 -0.542 0.000 1.163 118 D CA 1.420 55.005 54.000 -0.692 0.000 0.801 118 D CB -1.513 39.035 40.800 -0.420 0.000 0.975 118 D HN 0.007 8.181 8.370 -1.061 -0.440 0.413 119 Y N -3.939 116.200 120.300 -0.269 0.000 2.442 119 Y HA 0.000 4.495 4.550 -0.093 0.000 0.250 119 Y C 0.262 176.065 175.900 -0.162 0.000 1.113 119 Y CA -0.760 57.245 58.100 -0.159 0.000 1.273 119 Y CB 0.416 38.810 38.460 -0.111 0.000 1.138 119 Y HN -0.351 7.721 8.280 -0.816 -0.282 0.522 120 V N -6.989 112.783 119.914 -0.236 0.000 3.204 120 V HA 0.234 4.278 4.120 -0.126 0.000 0.316 120 V C -1.445 174.470 176.094 -0.298 0.000 1.160 120 V CA -2.013 60.079 62.300 -0.347 0.000 1.044 120 V CB 2.433 33.617 31.823 -1.066 0.000 1.136 120 V HN -1.007 6.957 8.190 -0.378 0.000 0.455 121 D N -1.626 118.631 120.400 -0.237 0.000 10.746 121 D HA -0.262 4.282 4.640 -0.159 0.000 0.347 121 D C 0.407 176.609 176.300 -0.163 0.000 3.135 121 D CA 1.682 55.497 54.000 -0.308 0.000 2.657 121 D CB 0.302 40.609 40.800 -0.822 0.000 1.219 121 D HN -0.224 8.050 8.370 -0.159 0.000 0.943 122 R N -2.176 118.217 120.500 -0.178 0.000 1.196 122 R HA -0.373 3.909 4.340 -0.098 0.000 0.018 122 R C 0.237 176.551 176.300 0.023 0.000 0.961 122 R CA 1.994 58.009 56.100 -0.142 0.000 1.985 122 R CB -0.970 29.042 30.300 -0.481 0.000 0.134 122 R HN 0.472 8.648 8.270 -0.156 0.000 0.731 123 G N -2.835 106.019 108.800 0.090 0.000 2.432 123 G HA2 0.042 4.064 3.960 0.104 0.000 0.257 123 G HA3 0.042 4.294 3.960 0.220 -0.161 0.257 123 G C -0.079 174.927 174.900 0.177 0.000 1.238 123 G CA -0.776 44.412 45.100 0.146 0.000 0.838 123 G HN -0.086 8.124 8.290 0.102 0.141 0.547 124 Y N 0.555 120.613 120.300 -0.403 0.000 2.496 124 Y HA -0.019 4.328 4.550 -0.339 0.000 0.313 124 Y C -1.161 174.271 175.900 -0.781 0.000 1.184 124 Y CA -1.727 55.978 58.100 -0.658 0.000 1.275 124 Y CB -1.425 36.393 38.460 -1.069 0.000 1.103 124 Y HN 0.341 8.534 8.280 -0.145 0.000 0.513 125 F N -3.677 116.430 119.950 0.263 0.000 2.790 125 F HA 0.435 5.198 4.527 0.183 -0.127 0.371 125 F C -0.272 175.665 175.800 0.228 0.000 1.293 125 F CA -1.969 56.176 58.000 0.242 0.000 1.205 125 F CB -0.814 38.401 39.000 0.359 0.000 1.047 125 F HN -0.689 7.593 8.300 0.176 0.123 0.510 126 S N 3.629 119.541 115.700 0.354 0.000 2.382 126 S HA -0.302 4.356 4.470 0.314 0.000 0.228 126 S C 1.419 176.248 174.600 0.383 0.000 1.027 126 S CA 3.353 61.780 58.200 0.378 0.000 0.991 126 S CB 0.214 63.700 63.200 0.477 0.000 0.823 126 S HN -0.552 8.149 8.310 0.289 -0.218 0.469 127 I N 1.731 122.492 120.570 0.318 0.000 2.208 127 I HA -0.422 3.856 4.170 0.180 0.000 0.245 127 I C 1.014 177.177 176.117 0.077 0.000 1.097 127 I CA 2.125 63.523 61.300 0.164 0.000 1.363 127 I CB -0.061 37.989 38.000 0.083 0.000 1.051 127 I HN -0.494 8.154 8.210 0.291 -0.263 0.413 128 E N -0.639 119.589 120.200 0.046 0.000 2.150 128 E HA -0.374 3.831 4.350 -0.241 0.000 0.193 128 E C 2.368 178.904 176.600 -0.106 0.000 0.985 128 E CA 4.376 60.639 56.400 -0.228 0.000 0.814 128 E CB -0.909 28.444 29.700 -0.578 0.000 0.752 128 E HN 0.230 8.666 8.360 0.141 0.008 0.466 129 C N -0.575 118.822 119.300 0.162 0.000 2.476 129 C HA -0.325 4.413 4.460 0.463 0.000 0.278 129 C C 2.093 177.215 174.990 0.220 0.000 1.274 129 C CA 5.143 64.340 59.018 0.298 0.000 1.713 129 C CB 0.224 28.146 27.740 0.303 0.000 2.039 129 C HN -0.551 7.688 8.230 0.204 0.113 0.484 130 V N -0.049 119.968 119.914 0.172 0.000 2.343 130 V HA -0.526 3.736 4.120 0.235 0.000 0.247 130 V C 1.390 177.540 176.094 0.092 0.000 1.051 130 V CA 4.284 66.637 62.300 0.088 0.000 1.036 130 V CB -0.487 31.291 31.823 -0.076 0.000 0.654 130 V HN 0.262 8.564 8.190 0.187 0.000 0.451 131 L N -0.299 120.947 121.223 0.037 0.000 2.017 131 L HA -0.399 3.943 4.340 0.004 0.000 0.208 131 L C 2.427 179.396 176.870 0.165 0.000 1.073 131 L CA 3.258 58.127 54.840 0.049 0.000 0.745 131 L CB -0.473 41.578 42.059 -0.014 0.000 0.894 131 L HN -0.081 8.165 8.230 0.025 0.000 0.432 132 Y N -0.631 119.702 120.300 0.056 0.000 2.242 132 Y HA -0.380 4.204 4.550 0.057 0.000 0.291 132 Y C 2.055 178.014 175.900 0.098 0.000 1.137 132 Y CA 3.909 62.066 58.100 0.096 0.000 1.181 132 Y CB 0.142 38.747 38.460 0.241 0.000 0.989 132 Y HN -0.443 7.984 8.280 0.245 0.000 0.527 133 L N -1.618 119.715 121.223 0.182 0.000 2.093 133 L HA -0.445 3.812 4.340 -0.139 0.000 0.208 133 L C 2.168 179.062 176.870 0.039 0.000 1.085 133 L CA 3.321 58.155 54.840 -0.011 0.000 0.755 133 L CB -0.364 41.600 42.059 -0.157 0.000 0.904 133 L HN 0.244 8.533 8.230 0.281 0.109 0.435 134 W N -1.704 119.528 121.300 -0.112 0.000 2.381 134 W HA -0.449 4.175 4.660 -0.060 0.000 0.301 134 W C 1.661 178.130 176.519 -0.084 0.000 1.205 134 W CA 2.841 60.148 57.345 -0.062 0.000 1.285 134 W CB 0.308 29.772 29.460 0.006 0.000 1.133 134 W HN 0.390 8.824 8.180 0.607 0.109 0.521 135 A N -1.413 121.473 122.820 0.110 0.000 1.933 135 A HA -0.349 4.005 4.320 0.057 0.000 0.218 135 A C 1.837 179.323 177.584 -0.163 0.000 1.175 135 A CA 3.044 55.064 52.037 -0.030 0.000 0.628 135 A CB -0.695 18.240 19.000 -0.107 0.000 0.814 135 A HN 0.264 8.504 8.150 0.149 0.000 0.444 136 L N -2.246 118.826 121.223 -0.250 0.000 2.141 136 L HA -0.240 3.951 4.340 -0.248 0.000 0.209 136 L C 1.827 178.609 176.870 -0.148 0.000 1.094 136 L CA 2.340 57.033 54.840 -0.245 0.000 0.763 136 L CB -0.530 41.331 42.059 -0.329 0.000 0.908 136 L HN -0.240 7.831 8.230 -0.264 0.000 0.437 137 K N -0.218 120.077 120.400 -0.174 0.000 2.103 137 K HA -0.181 4.034 4.320 -0.175 0.000 0.204 137 K C 1.635 178.129 176.600 -0.176 0.000 1.052 137 K CA 2.002 58.170 56.287 -0.199 0.000 0.945 137 K CB -0.908 31.403 32.500 -0.314 0.000 0.722 137 K HN -0.587 7.437 8.250 -0.178 0.119 0.443 138 I N -2.047 118.437 120.570 -0.145 0.000 2.439 138 I HA -0.314 3.793 4.170 -0.105 0.000 0.251 138 I C 1.773 177.791 176.117 -0.165 0.000 1.139 138 I CA 2.912 64.148 61.300 -0.107 0.000 1.438 138 I CB 0.177 38.169 38.000 -0.013 0.000 1.085 138 I HN -0.501 7.634 8.210 -0.125 0.000 0.427 139 L N -0.827 120.230 121.223 -0.277 0.000 2.095 139 L HA -0.192 3.900 4.340 -0.413 0.000 0.204 139 L C -0.461 175.963 176.870 -0.743 0.000 1.080 139 L CA 2.497 56.998 54.840 -0.565 0.000 0.759 139 L CB 1.354 42.934 42.059 -0.798 0.000 0.914 139 L HN -0.661 7.406 8.230 -0.245 0.016 0.439 140 Y N -5.937 114.296 120.300 -0.111 0.000 2.470 140 Y HA 0.445 4.937 4.550 -0.096 0.000 0.352 140 Y C -2.570 173.217 175.900 -0.189 0.000 0.967 140 Y CA -3.553 54.475 58.100 -0.121 0.000 1.121 140 Y CB -0.673 37.726 38.460 -0.102 0.000 1.149 140 Y HN -0.427 7.706 8.280 -0.245 0.000 0.641 141 P HA 0.015 4.300 4.420 -0.264 -0.024 0.239 141 P C -0.396 176.731 177.300 -0.289 0.000 1.184 141 P CA 0.696 63.674 63.100 -0.203 0.000 0.760 141 P CB 0.347 31.967 31.700 -0.133 0.000 0.884 142 K N -5.319 114.973 120.400 -0.179 0.000 2.358 142 K HA 0.102 4.349 4.320 -0.122 0.000 0.200 142 K C -0.730 175.786 176.600 -0.140 0.000 1.030 142 K CA 0.561 56.774 56.287 -0.123 0.000 1.097 142 K CB 0.111 32.618 32.500 0.012 0.000 0.862 142 K HN -0.025 8.088 8.250 -0.077 0.090 0.534 143 T N -4.682 109.733 114.554 -0.233 0.000 2.993 143 T HA 0.154 4.520 4.350 0.027 0.000 0.260 143 T C -1.672 172.942 174.700 -0.142 0.000 0.939 143 T CA 0.289 62.329 62.100 -0.099 0.000 0.886 143 T CB 2.155 71.007 68.868 -0.027 0.000 1.209 143 T HN -0.182 7.736 8.240 -0.245 0.175 0.518 144 L N 2.738 123.765 121.223 -0.326 0.000 2.319 144 L HA 0.494 5.064 4.340 0.111 -0.164 0.281 144 L C -2.931 173.700 176.870 -0.399 0.000 1.005 144 L CA -0.596 54.158 54.840 -0.143 0.000 0.828 144 L CB 2.618 44.682 42.059 0.008 0.000 1.227 144 L HN -0.157 7.836 8.230 -0.394 0.000 0.415 145 F N 4.974 125.014 119.950 0.150 0.000 2.495 145 F HA 0.352 4.900 4.527 0.036 0.000 0.327 145 F C -1.428 174.455 175.800 0.137 0.000 1.103 145 F CA -1.215 56.843 58.000 0.097 0.000 0.949 145 F CB 3.079 42.134 39.000 0.092 0.000 1.142 145 F HN 0.743 9.259 8.300 0.362 0.000 0.457 146 L N 1.938 123.282 121.223 0.202 0.000 2.381 146 L HA 0.351 4.885 4.340 0.322 0.000 0.274 146 L C -1.844 175.139 176.870 0.187 0.000 0.988 146 L CA -1.019 53.917 54.840 0.160 0.000 0.824 146 L CB 2.474 44.436 42.059 -0.162 0.000 1.263 146 L HN 0.224 8.542 8.230 0.146 0.000 0.410 147 L N 0.688 122.077 121.223 0.277 0.000 2.352 147 L HA 0.299 4.689 4.340 0.083 0.000 0.269 147 L C -1.184 175.696 176.870 0.017 0.000 1.034 147 L CA -1.394 53.524 54.840 0.130 0.000 0.806 147 L CB 3.322 45.449 42.059 0.114 0.000 1.244 147 L HN -0.041 8.448 8.230 0.431 0.000 0.447 148 R N 0.642 121.092 120.500 -0.084 0.000 2.410 148 R HA 0.228 4.393 4.340 -0.292 0.000 0.288 148 R C -0.418 175.656 176.300 -0.378 0.000 1.051 148 R CA -0.445 55.523 56.100 -0.220 0.000 1.021 148 R CB 1.835 32.059 30.300 -0.128 0.000 1.032 148 R HN 0.562 8.803 8.270 -0.048 0.000 0.481 149 G N 2.469 110.902 108.800 -0.611 0.000 2.644 149 G HA2 0.492 4.012 3.960 -0.734 0.000 0.307 149 G HA3 0.492 3.868 3.960 -1.368 -0.237 0.307 149 G C 0.075 174.540 174.900 -0.725 0.000 1.250 149 G CA -1.814 42.663 45.100 -1.039 0.000 0.996 149 G HN 0.183 8.322 8.290 -0.597 -0.207 0.489 150 N N 0.869 119.053 118.700 -0.860 0.000 2.430 150 N HA -0.371 4.119 4.740 -0.418 0.000 0.186 150 N C 0.064 175.343 175.510 -0.385 0.000 1.032 150 N CA 2.802 55.458 53.050 -0.656 0.000 0.893 150 N CB -0.243 37.413 38.487 -1.384 0.000 0.957 150 N HN 0.103 7.694 8.380 -1.316 0.000 0.442 151 H N -3.148 115.679 119.070 -0.403 0.000 2.544 151 H HA 0.058 4.575 4.556 -0.065 0.000 0.269 151 H C 0.831 176.035 175.328 -0.206 0.000 0.970 151 H CA 1.812 57.718 56.048 -0.237 0.000 1.219 151 H CB 0.546 30.116 29.762 -0.320 0.000 1.421 151 H HN -0.528 7.690 8.280 -0.359 -0.154 0.555 152 E N 1.038 121.126 120.200 -0.187 0.000 2.222 152 E HA -0.060 4.208 4.350 -0.137 0.000 0.312 152 E C -1.725 174.959 176.600 0.140 0.000 1.263 152 E CA 0.039 56.363 56.400 -0.128 0.000 1.356 152 E CB -2.478 27.026 29.700 -0.328 0.000 1.180 152 E HN 0.075 8.068 8.360 -0.301 0.186 0.494 153 C N -3.163 116.264 119.300 0.211 0.000 3.340 153 C HA 0.558 5.262 4.460 0.267 -0.084 0.333 153 C C -0.256 174.896 174.990 0.270 0.000 1.464 153 C CA -3.490 55.685 59.018 0.261 0.000 1.337 153 C CB 4.231 32.173 27.740 0.337 0.000 1.740 153 C HN 0.303 8.581 8.230 0.178 0.059 0.450 154 R N -0.183 120.486 120.500 0.283 0.000 2.087 154 R HA 0.148 4.684 4.340 0.327 0.000 0.216 154 R C 2.152 178.637 176.300 0.309 0.000 1.114 154 R CA 2.466 58.741 56.100 0.291 0.000 1.002 154 R CB 1.077 31.507 30.300 0.216 0.000 0.903 154 R HN 0.625 9.703 8.270 0.319 -0.616 0.445 155 H N 0.327 119.529 119.070 0.220 0.000 2.353 155 H HA -0.245 4.412 4.556 0.169 0.000 0.298 155 H C 1.976 177.453 175.328 0.247 0.000 1.103 155 H CA 2.658 58.821 56.048 0.190 0.000 1.293 155 H CB -0.710 29.131 29.762 0.132 0.000 1.372 155 H HN -0.555 8.279 8.280 0.508 -0.249 0.501 156 L N -2.212 118.645 121.223 -0.611 0.000 2.044 156 L HA -0.217 4.054 4.340 -0.115 0.000 0.205 156 L C 1.821 178.902 176.870 0.352 0.000 1.075 156 L CA 2.826 57.574 54.840 -0.154 0.000 0.747 156 L CB -0.311 41.679 42.059 -0.114 0.000 0.903 156 L HN 0.073 7.724 8.230 -0.953 0.007 0.435 157 T N -2.029 112.748 114.554 0.373 0.000 2.803 157 T HA -0.389 4.332 4.350 0.618 0.000 0.269 157 T C 2.254 177.193 174.700 0.398 0.000 1.052 157 T CA 3.377 65.809 62.100 0.553 0.000 1.136 157 T CB -0.401 68.956 68.868 0.814 0.000 0.864 157 T HN -0.549 7.851 8.240 0.266 0.000 0.467 158 E N 0.478 120.854 120.200 0.293 0.000 2.107 158 E HA -0.279 4.102 4.350 0.052 0.000 0.191 158 E C 1.188 177.891 176.600 0.172 0.000 0.982 158 E CA 2.436 58.935 56.400 0.165 0.000 0.809 158 E CB 0.100 29.903 29.700 0.172 0.000 0.756 158 E HN -0.125 8.303 8.360 0.305 0.115 0.459 159 Y N -1.885 118.424 120.300 0.015 0.000 2.243 159 Y HA -0.137 4.371 4.550 -0.069 0.000 0.293 159 Y C 0.264 176.092 175.900 -0.120 0.000 1.124 159 Y CA 1.504 59.539 58.100 -0.107 0.000 1.159 159 Y CB 0.569 38.882 38.460 -0.246 0.000 1.008 159 Y HN -0.903 7.438 8.280 0.263 0.097 0.527 160 F N -2.354 117.594 119.950 -0.004 0.000 2.266 160 F HA -0.044 4.334 4.527 -0.250 0.000 0.287 160 F C 1.541 177.320 175.800 -0.034 0.000 1.255 160 F CA 0.341 58.297 58.000 -0.073 0.000 1.201 160 F CB 1.097 40.147 39.000 0.084 0.000 1.450 160 F HN -0.235 8.182 8.300 0.194 0.000 0.510 161 T N -2.273 112.416 114.554 0.226 0.000 3.188 161 T HA -0.008 4.367 4.350 0.042 0.000 0.250 161 T C 0.574 175.350 174.700 0.126 0.000 1.077 161 T CA -0.269 61.870 62.100 0.064 0.000 0.967 161 T CB 0.264 69.004 68.868 -0.214 0.000 1.006 161 T HN 0.066 8.500 8.240 0.323 0.000 0.552 162 F N 5.479 125.465 119.950 0.059 0.000 2.060 162 F HA -0.210 4.331 4.527 0.022 0.000 0.295 162 F C 0.672 176.445 175.800 -0.045 0.000 1.120 162 F CA 1.859 59.889 58.000 0.049 0.000 1.205 162 F CB -0.080 39.016 39.000 0.161 0.000 0.986 162 F HN -0.292 8.173 8.300 0.433 0.095 0.470 163 K N -1.683 118.614 120.400 -0.170 0.000 2.020 163 K HA -0.567 3.162 4.320 -0.986 0.000 0.212 163 K C 1.992 178.321 176.600 -0.452 0.000 1.050 163 K CA 4.276 60.196 56.287 -0.612 0.000 0.929 163 K CB -0.188 31.923 32.500 -0.648 0.000 0.714 163 K HN -0.482 7.826 8.250 0.097 0.000 0.443 164 Q N -2.059 117.576 119.800 -0.273 0.000 2.135 164 Q HA -0.312 3.864 4.340 -0.273 0.000 0.204 164 Q C 2.132 177.877 176.000 -0.424 0.000 0.981 164 Q CA 2.956 58.597 55.803 -0.271 0.000 0.856 164 Q CB -0.503 28.158 28.738 -0.129 0.000 0.902 164 Q HN 0.101 8.266 8.270 -0.175 0.000 0.425 165 E N 0.082 120.044 120.200 -0.395 0.000 2.051 165 E HA -0.299 3.514 4.350 -0.895 0.000 0.192 165 E C 2.104 178.461 176.600 -0.404 0.000 0.991 165 E CA 3.024 59.121 56.400 -0.505 0.000 0.799 165 E CB -0.087 29.466 29.700 -0.246 0.000 0.748 165 E HN -0.541 7.559 8.360 -0.248 0.111 0.449 166 C N -2.070 116.996 119.300 -0.389 0.000 2.411 166 C HA -0.451 3.915 4.460 -0.157 0.000 0.279 166 C C 2.146 177.027 174.990 -0.182 0.000 1.288 166 C CA 4.792 63.648 59.018 -0.271 0.000 1.764 166 C CB 0.101 27.633 27.740 -0.347 0.000 1.974 166 C HN 0.025 7.965 8.230 -0.483 0.000 0.498 167 K N 0.799 121.044 120.400 -0.258 0.000 2.167 167 K HA -0.180 4.055 4.320 -0.142 0.000 0.203 167 K C 1.653 178.117 176.600 -0.228 0.000 1.052 167 K CA 2.900 59.063 56.287 -0.207 0.000 0.956 167 K CB -0.337 32.030 32.500 -0.221 0.000 0.735 167 K HN -0.377 7.567 8.250 -0.332 0.107 0.451 168 I N -0.445 119.923 120.570 -0.338 0.000 2.406 168 I HA -0.217 3.772 4.170 -0.302 0.000 0.249 168 I C 1.620 177.544 176.117 -0.322 0.000 1.122 168 I CA 1.327 62.397 61.300 -0.383 0.000 1.431 168 I CB -0.223 37.378 38.000 -0.665 0.000 1.087 168 I HN -0.133 7.733 8.210 -0.403 0.101 0.424 169 K N -1.845 118.372 120.400 -0.305 0.000 2.099 169 K HA -0.163 3.960 4.320 -0.329 0.000 0.203 169 K C 1.966 178.305 176.600 -0.437 0.000 1.047 169 K CA 2.830 58.929 56.287 -0.314 0.000 0.963 169 K CB 0.937 33.326 32.500 -0.186 0.000 0.759 169 K HN 0.304 8.262 8.250 -0.307 0.108 0.451 170 Y N -3.010 117.189 120.300 -0.168 0.000 2.641 170 Y HA -0.077 4.411 4.550 -0.104 0.000 0.108 170 Y C -1.017 174.808 175.900 -0.126 0.000 0.887 170 Y CA 0.575 58.598 58.100 -0.128 0.000 1.812 170 Y CB 2.643 41.030 38.460 -0.121 0.000 1.148 170 Y HN -0.189 7.983 8.280 0.015 0.117 0.271 171 S N -3.200 112.554 115.700 0.091 0.000 2.703 171 S HA 0.190 4.635 4.470 -0.042 0.000 0.273 171 S C -0.037 174.553 174.600 -0.016 0.000 1.178 171 S CA -1.433 56.766 58.200 -0.001 0.000 0.838 171 S CB 2.068 65.272 63.200 0.007 0.000 1.178 171 S HN -0.728 7.674 8.310 0.153 0.000 0.494 172 E N 2.641 122.831 120.200 -0.017 0.000 2.268 172 E HA -0.282 4.097 4.350 0.047 0.000 0.195 172 E C 1.193 177.818 176.600 0.041 0.000 0.995 172 E CA 2.680 59.098 56.400 0.030 0.000 0.836 172 E CB -0.229 29.487 29.700 0.025 0.000 0.763 172 E HN 0.510 8.855 8.360 -0.025 0.000 0.491 173 R N -0.605 119.893 120.500 -0.003 0.000 2.083 173 R HA -0.281 4.042 4.340 -0.030 0.000 0.237 173 R C 2.082 178.336 176.300 -0.077 0.000 1.137 173 R CA 3.284 59.364 56.100 -0.032 0.000 0.951 173 R CB -0.237 30.045 30.300 -0.029 0.000 0.851 173 R HN -0.681 7.547 8.270 -0.004 0.040 0.434 174 V N -1.171 118.685 119.914 -0.097 0.000 2.358 174 V HA -0.514 3.477 4.120 -0.215 0.000 0.246 174 V C 1.443 177.418 176.094 -0.198 0.000 1.047 174 V CA 3.862 66.046 62.300 -0.194 0.000 1.035 174 V CB 0.046 31.686 31.823 -0.306 0.000 0.658 174 V HN -0.422 7.730 8.190 -0.062 0.000 0.452 175 Y N 1.253 121.398 120.300 -0.258 0.000 2.097 175 Y HA -0.439 3.888 4.550 -0.373 0.000 0.282 175 Y C 1.309 177.081 175.900 -0.214 0.000 1.152 175 Y CA 2.809 60.742 58.100 -0.279 0.000 1.136 175 Y CB -0.242 38.071 38.460 -0.245 0.000 0.975 175 Y HN -0.805 7.479 8.280 0.008 0.000 0.498 176 D N -1.376 118.830 120.400 -0.323 0.000 2.123 176 D HA -0.404 3.899 4.640 -0.562 0.000 0.196 176 D C 1.893 177.992 176.300 -0.335 0.000 0.992 176 D CA 3.116 56.897 54.000 -0.366 0.000 0.833 176 D CB -0.731 39.985 40.800 -0.141 0.000 0.954 176 D HN -0.049 8.284 8.370 -0.061 0.000 0.455 177 A N 0.208 122.867 122.820 -0.269 0.000 1.883 177 A HA -0.270 3.946 4.320 -0.174 0.000 0.217 177 A C 2.046 179.426 177.584 -0.339 0.000 1.186 177 A CA 3.140 55.034 52.037 -0.238 0.000 0.624 177 A CB -0.658 18.223 19.000 -0.199 0.000 0.822 177 A HN -0.510 7.494 8.150 -0.229 0.009 0.444 178 C N -2.054 116.942 119.300 -0.506 0.000 2.429 178 C HA -0.472 3.528 4.460 -0.766 0.000 0.277 178 C C 2.325 176.633 174.990 -1.137 0.000 1.262 178 C CA 4.761 63.263 59.018 -0.861 0.000 1.733 178 C CB -0.282 26.965 27.740 -0.821 0.000 2.010 178 C HN -0.249 7.707 8.230 -0.456 0.000 0.483 179 M N -0.452 118.674 119.600 -0.790 0.000 2.065 179 M HA -0.371 3.813 4.480 -0.494 0.000 0.259 179 M C 2.223 178.387 176.300 -0.226 0.000 1.069 179 M CA 1.945 56.941 55.300 -0.507 0.000 1.110 179 M CB -1.533 30.793 32.600 -0.456 0.000 1.328 179 M HN -0.247 7.603 8.290 -0.734 0.000 0.405 180 D N -2.744 117.544 120.400 -0.186 0.000 2.178 180 D HA -0.222 4.421 4.640 0.005 0.000 0.201 180 D C 1.162 177.497 176.300 0.059 0.000 0.980 180 D CA 2.564 56.541 54.000 -0.038 0.000 0.842 180 D CB -0.321 40.452 40.800 -0.044 0.000 0.948 180 D HN -0.319 7.895 8.370 -0.260 0.000 0.472 181 A N -2.242 120.600 122.820 0.036 0.000 1.897 181 A HA -0.159 4.321 4.320 0.266 0.000 0.215 181 A C 2.266 180.148 177.584 0.496 0.000 1.181 181 A CA 2.186 54.386 52.037 0.272 0.000 0.620 181 A CB 0.312 19.520 19.000 0.347 0.000 0.821 181 A HN -0.463 7.492 8.150 -0.132 0.116 0.443 182 F N -1.853 118.245 119.950 0.246 0.000 2.202 182 F HA -0.300 4.439 4.527 0.353 0.000 0.301 182 F C 2.545 178.423 175.800 0.130 0.000 1.082 182 F CA 0.608 58.744 58.000 0.227 0.000 1.313 182 F CB -1.307 37.776 39.000 0.138 0.000 1.024 182 F HN 0.573 8.830 8.300 0.105 0.106 0.495 183 D N -1.265 119.313 120.400 0.297 0.000 2.350 183 D HA -0.141 4.581 4.640 0.137 0.000 0.216 183 D C 1.217 177.592 176.300 0.125 0.000 0.968 183 D CA 2.694 56.801 54.000 0.177 0.000 0.894 183 D CB -1.171 39.730 40.800 0.169 0.000 0.909 183 D HN -0.272 8.243 8.370 0.273 0.019 0.520 184 C N -2.672 116.744 119.300 0.193 0.000 2.799 184 C HA -0.117 4.404 4.460 0.102 0.000 0.267 184 C C -0.524 174.496 174.990 0.050 0.000 1.257 184 C CA 0.340 59.451 59.018 0.154 0.000 1.702 184 C CB 0.554 28.445 27.740 0.251 0.000 1.934 184 C HN 0.095 8.277 8.230 0.269 0.209 0.594 185 L N 1.348 122.617 121.223 0.076 0.000 2.439 185 L HA 0.014 4.360 4.340 0.010 0.000 0.269 185 L C -1.764 175.084 176.870 -0.037 0.000 1.179 185 L CA -0.531 54.324 54.840 0.026 0.000 0.828 185 L CB -0.433 41.658 42.059 0.054 0.000 1.106 185 L HN -0.631 7.502 8.230 0.150 0.187 0.467 186 P HA 0.049 4.427 4.420 -0.071 0.000 0.272 186 P C -1.326 175.951 177.300 -0.038 0.000 1.230 186 P CA -0.602 62.477 63.100 -0.035 0.000 0.788 186 P CB 0.882 32.588 31.700 0.010 0.000 0.949 187 L N -1.274 119.921 121.223 -0.046 0.000 2.253 187 L HA 0.117 4.427 4.340 -0.049 0.000 0.205 187 L C 0.066 176.927 176.870 -0.016 0.000 1.078 187 L CA 0.570 55.386 54.840 -0.039 0.000 0.805 187 L CB 0.544 42.577 42.059 -0.043 0.000 0.963 187 L HN -0.062 8.137 8.230 -0.052 0.000 0.459 188 A N -6.194 116.621 122.820 -0.008 0.000 2.588 188 A HA 0.677 5.123 4.320 0.011 -0.119 0.290 188 A C -2.765 174.817 177.584 -0.003 0.000 1.136 188 A CA -1.353 50.686 52.037 0.003 0.000 0.681 188 A CB 3.623 22.627 19.000 0.005 0.000 1.282 188 A HN -0.137 8.005 8.150 -0.015 0.000 0.421 189 A N -2.256 120.560 122.820 -0.007 0.000 2.517 189 A HA 0.667 5.202 4.320 -0.043 -0.241 0.297 189 A C -2.731 174.838 177.584 -0.025 0.000 1.050 189 A CA -0.525 51.489 52.037 -0.039 0.000 0.694 189 A CB 3.350 22.299 19.000 -0.085 0.000 1.277 189 A HN 0.254 8.407 8.150 0.005 0.000 0.400 190 L N 4.176 125.381 121.223 -0.030 0.000 2.287 190 L HA 0.638 5.166 4.340 0.022 -0.175 0.280 190 L C -1.076 175.787 176.870 -0.012 0.000 1.055 190 L CA -1.526 53.312 54.840 -0.003 0.000 0.863 190 L CB 1.450 43.509 42.059 -0.000 0.000 1.245 190 L HN 1.215 9.284 8.230 -0.045 0.134 0.432 191 M N 5.332 124.942 119.600 0.018 0.000 2.143 191 M HA 0.085 4.723 4.480 -0.034 -0.179 0.348 191 M C -0.500 175.869 176.300 0.116 0.000 1.375 191 M CA -0.546 54.765 55.300 0.019 0.000 1.124 191 M CB -0.186 32.393 32.600 -0.035 0.000 1.669 191 M HN -0.005 8.312 8.290 0.045 0.000 0.469 192 N N 6.628 125.379 118.700 0.084 0.000 2.741 192 N HA -0.441 4.577 4.740 0.093 -0.223 0.251 192 N C -0.791 174.755 175.510 0.060 0.000 1.112 192 N CA 1.186 54.306 53.050 0.116 0.000 0.750 192 N CB -1.141 37.489 38.487 0.238 0.000 1.119 192 N HN 0.665 8.964 8.380 0.041 0.106 0.561 193 Q N -5.891 113.925 119.800 0.026 0.000 2.436 193 Q HA -0.529 3.804 4.340 -0.011 0.000 0.264 193 Q C -0.983 174.980 176.000 -0.062 0.000 1.093 193 Q CA 2.305 58.100 55.803 -0.013 0.000 0.994 193 Q CB -1.299 27.430 28.738 -0.015 0.000 1.434 193 Q HN -0.109 8.137 8.270 0.029 0.040 0.520 194 Q N -4.433 115.310 119.800 -0.096 0.000 2.527 194 Q HA 0.232 4.412 4.340 -0.266 0.000 0.252 194 Q C -0.140 175.582 176.000 -0.463 0.000 0.827 194 Q CA 1.231 56.833 55.803 -0.336 0.000 0.979 194 Q CB 3.264 31.681 28.738 -0.535 0.000 1.248 194 Q HN -0.607 7.618 8.270 0.003 0.047 0.578 195 F N -0.353 119.536 119.950 -0.103 0.000 2.422 195 F HA 0.713 5.407 4.527 -0.043 -0.192 0.333 195 F C -0.996 174.772 175.800 -0.054 0.000 1.095 195 F CA -0.848 57.100 58.000 -0.087 0.000 1.038 195 F CB 2.569 41.468 39.000 -0.169 0.000 1.156 195 F HN -0.053 8.341 8.300 0.158 0.000 0.483 196 L N 1.666 122.973 121.223 0.139 0.000 2.280 196 L HA 0.488 4.992 4.340 0.070 -0.122 0.287 196 L C -1.373 175.537 176.870 0.066 0.000 1.023 196 L CA -1.416 53.475 54.840 0.085 0.000 0.819 196 L CB 1.585 43.694 42.059 0.084 0.000 1.212 196 L HN 0.247 8.566 8.230 0.148 0.000 0.420 197 C N 7.445 126.771 119.300 0.044 0.000 2.325 197 C HA 0.710 5.448 4.460 0.037 -0.256 0.347 197 C C -0.297 174.709 174.990 0.027 0.000 1.263 197 C CA -0.838 58.200 59.018 0.032 0.000 1.806 197 C CB -0.336 27.416 27.740 0.020 0.000 2.405 197 C HN 0.904 9.051 8.230 0.036 0.104 0.537 198 V N -1.153 118.777 119.914 0.027 0.000 3.181 198 V HA 0.522 4.664 4.120 0.036 0.000 0.307 198 V C -1.843 174.283 176.094 0.054 0.000 1.310 198 V CA -3.191 59.126 62.300 0.029 0.000 1.067 198 V CB 2.979 34.798 31.823 -0.007 0.000 1.081 198 V HN 0.205 8.410 8.190 0.025 0.000 0.453 199 H N 0.192 119.227 119.070 -0.058 0.000 2.406 199 H HA 0.086 4.614 4.556 -0.046 0.000 0.304 199 H C 1.243 176.536 175.328 -0.059 0.000 1.042 199 H CA 3.101 59.097 56.048 -0.087 0.000 1.360 199 H CB 1.283 30.928 29.762 -0.194 0.000 1.448 199 H HN 0.489 8.828 8.280 0.098 0.000 0.553 200 G N -3.466 105.331 108.800 -0.006 0.000 2.641 200 G HA2 0.117 4.086 3.960 0.015 0.000 0.211 200 G HA3 0.117 4.299 3.960 0.081 -0.173 0.211 200 G C -1.089 173.875 174.900 0.106 0.000 1.190 200 G CA -0.011 45.120 45.100 0.052 0.000 0.842 200 G HN 0.033 8.353 8.290 0.051 0.000 0.585 201 G N -1.834 106.977 108.800 0.018 0.000 2.491 201 G HA2 -0.090 3.785 3.960 -0.142 0.000 0.183 201 G HA3 -0.090 3.705 3.960 -0.276 0.000 0.183 201 G C -2.116 172.643 174.900 -0.235 0.000 1.221 201 G CA 0.138 45.134 45.100 -0.174 0.000 0.996 201 G HN -0.472 7.828 8.290 0.016 0.000 0.474 202 L N 0.525 121.492 121.223 -0.427 0.000 2.479 202 L HA 0.481 4.526 4.340 -0.491 0.000 0.249 202 L C -0.795 175.989 176.870 -0.143 0.000 1.178 202 L CA -1.428 53.156 54.840 -0.427 0.000 0.811 202 L CB 1.243 42.925 42.059 -0.629 0.000 1.187 202 L HN 0.067 7.854 8.230 -0.738 0.000 0.480 203 S N -2.804 112.782 115.700 -0.191 0.000 2.549 203 S HA 0.519 4.973 4.470 -0.026 0.000 0.280 203 S C -0.989 173.425 174.600 -0.310 0.000 1.109 203 S CA -3.550 54.572 58.200 -0.130 0.000 0.905 203 S CB 1.422 64.563 63.200 -0.098 0.000 1.081 203 S HN 0.195 8.279 8.310 -0.376 0.000 0.477 204 P HA 0.077 3.702 4.420 -1.325 0.000 0.219 204 P C -0.280 176.754 177.300 -0.443 0.000 1.150 204 P CA 1.510 64.050 63.100 -0.933 0.000 0.814 204 P CB 0.273 31.292 31.700 -1.135 0.000 0.787 205 E N -2.925 117.104 120.200 -0.285 0.000 2.465 205 E HA 0.074 4.332 4.350 -0.153 0.000 0.191 205 E C -1.068 175.482 176.600 -0.084 0.000 1.053 205 E CA -0.149 56.159 56.400 -0.153 0.000 0.869 205 E CB 0.174 29.813 29.700 -0.102 0.000 0.977 205 E HN -0.475 7.694 8.360 -0.282 0.022 0.483 206 I N 0.036 120.558 120.570 -0.080 0.000 2.493 206 I HA 0.104 4.443 4.170 0.033 -0.149 0.279 206 I C -1.948 174.270 176.117 0.169 0.000 1.045 206 I CA -0.640 60.671 61.300 0.019 0.000 1.106 206 I CB 0.960 38.957 38.000 -0.005 0.000 1.216 206 I HN -0.749 7.169 8.210 -0.147 0.204 0.459 207 N N 5.045 123.858 118.700 0.188 0.000 2.205 207 N HA 0.219 5.320 4.740 0.602 0.000 0.201 207 N C -1.012 174.553 175.510 0.092 0.000 1.128 207 N CA -0.005 53.188 53.050 0.239 0.000 0.867 207 N CB 2.458 40.917 38.487 -0.047 0.000 0.996 207 N HN 0.245 8.954 8.380 0.088 -0.276 0.503 208 T N -6.323 108.323 114.554 0.153 0.000 2.868 208 T HA 0.594 5.156 4.350 -0.021 -0.225 0.306 208 T C -0.394 174.377 174.700 0.119 0.000 1.224 208 T CA -2.264 59.879 62.100 0.072 0.000 1.012 208 T CB 3.507 72.408 68.868 0.056 0.000 1.221 208 T HN -0.724 7.744 8.240 0.185 -0.117 0.499 209 L N 0.715 121.983 121.223 0.075 0.000 2.131 209 L HA -0.293 4.116 4.340 0.116 0.000 0.210 209 L C 1.268 178.172 176.870 0.056 0.000 1.092 209 L CA 2.956 57.842 54.840 0.076 0.000 0.759 209 L CB -0.731 41.352 42.059 0.041 0.000 0.903 209 L HN 0.736 8.985 8.230 0.031 0.000 0.435 210 D N -2.340 118.086 120.400 0.044 0.000 2.178 210 D HA -0.316 4.341 4.640 0.030 0.000 0.201 210 D C 1.933 178.255 176.300 0.036 0.000 0.980 210 D CA 3.476 57.497 54.000 0.034 0.000 0.842 210 D CB -0.741 40.075 40.800 0.028 0.000 0.948 210 D HN 0.158 8.531 8.370 0.041 0.022 0.472 211 D N -1.028 119.399 120.400 0.045 0.000 2.178 211 D HA -0.193 4.463 4.640 0.027 0.000 0.201 211 D C 1.487 177.806 176.300 0.031 0.000 0.980 211 D CA 2.681 56.703 54.000 0.037 0.000 0.842 211 D CB -0.164 40.664 40.800 0.047 0.000 0.948 211 D HN -0.618 7.663 8.370 0.057 0.123 0.472 212 I N -1.770 118.824 120.570 0.039 0.000 2.400 212 I HA -0.270 3.909 4.170 0.016 0.000 0.248 212 I C 1.974 178.100 176.117 0.016 0.000 1.109 212 I CA 2.283 63.598 61.300 0.025 0.000 1.425 212 I CB 0.361 38.381 38.000 0.033 0.000 1.094 212 I HN -0.705 7.401 8.210 0.055 0.137 0.425 213 R N -0.260 120.253 120.500 0.023 0.000 2.096 213 R HA -0.354 3.996 4.340 0.016 0.000 0.235 213 R C 2.035 178.350 176.300 0.024 0.000 1.127 213 R CA 3.666 59.779 56.100 0.021 0.000 0.968 213 R CB -0.169 30.146 30.300 0.026 0.000 0.861 213 R HN -0.504 7.784 8.270 0.030 0.000 0.440 214 K N -2.475 117.939 120.400 0.024 0.000 2.591 214 K HA -0.160 4.178 4.320 0.030 0.000 0.197 214 K C -0.076 176.536 176.600 0.021 0.000 1.026 214 K CA 0.247 56.549 56.287 0.025 0.000 1.127 214 K CB -0.767 31.746 32.500 0.022 0.000 0.871 214 K HN -0.529 7.719 8.250 0.023 0.015 0.507 215 L N -0.919 120.312 121.223 0.014 0.000 2.375 215 L HA 0.059 4.403 4.340 0.007 0.000 0.268 215 L C -0.681 176.192 176.870 0.004 0.000 1.058 215 L CA -0.926 53.917 54.840 0.004 0.000 0.803 215 L CB 1.176 43.230 42.059 -0.009 0.000 1.212 215 L HN -0.577 7.436 8.230 0.012 0.224 0.451 216 D N 1.158 121.562 120.400 0.006 0.000 2.373 216 D HA 0.110 4.783 4.640 0.054 0.000 0.227 216 D C -0.521 175.752 176.300 -0.045 0.000 1.091 216 D CA -0.751 53.263 54.000 0.024 0.000 0.840 216 D CB 0.598 41.435 40.800 0.063 0.000 1.060 216 D HN 0.124 8.495 8.370 0.003 0.000 0.502 217 R N 4.392 124.778 120.500 -0.190 0.000 2.090 217 R HA -0.060 4.178 4.340 -0.170 0.000 0.219 217 R C 0.959 177.095 176.300 -0.274 0.000 1.100 217 R CA 1.678 57.591 56.100 -0.311 0.000 0.991 217 R CB 0.844 30.830 30.300 -0.524 0.000 0.893 217 R HN 0.045 8.176 8.270 -0.232 0.000 0.443 218 F N 0.704 120.678 119.950 0.039 0.000 2.659 218 F HA 0.059 4.811 4.527 0.054 -0.193 0.356 218 F C -0.556 175.265 175.800 0.036 0.000 1.273 218 F CA 0.242 58.267 58.000 0.042 0.000 1.243 218 F CB -2.018 37.002 39.000 0.033 0.000 1.683 218 F HN -0.462 7.578 8.300 -0.510 -0.046 0.679 219 K N -1.848 118.632 120.400 0.133 0.000 2.809 219 K HA 0.206 4.591 4.320 0.108 0.000 0.293 219 K C -2.364 174.283 176.600 0.077 0.000 1.061 219 K CA -1.262 55.085 56.287 0.099 0.000 0.837 219 K CB 1.590 34.136 32.500 0.077 0.000 1.524 219 K HN 0.281 8.537 8.250 0.086 0.046 0.370 220 E N 1.781 122.023 120.200 0.071 0.000 2.283 220 E HA 0.187 4.604 4.350 0.111 0.000 0.278 220 E C -1.587 175.047 176.600 0.056 0.000 1.027 220 E CA -3.133 53.318 56.400 0.085 0.000 0.843 220 E CB 0.239 29.994 29.700 0.093 0.000 1.062 220 E HN 0.179 8.576 8.360 0.062 0.000 0.401 221 P HA 0.231 4.669 4.420 0.030 0.000 0.271 221 P C -2.157 175.139 177.300 -0.006 0.000 1.233 221 P CA -1.290 61.848 63.100 0.064 0.000 0.764 221 P CB -0.503 31.287 31.700 0.150 0.000 0.825 222 P HA 0.025 4.338 4.420 -0.178 0.000 0.273 222 P C -0.634 176.551 177.300 -0.191 0.000 1.250 222 P CA -0.861 62.125 63.100 -0.190 0.000 0.793 222 P CB 0.631 32.134 31.700 -0.329 0.000 1.011 223 A N -3.292 119.415 122.820 -0.189 0.000 2.216 223 A HA -0.172 4.000 4.320 -0.247 0.000 0.214 223 A C -1.565 176.007 177.584 -0.019 0.000 1.160 223 A CA 1.937 53.893 52.037 -0.134 0.000 0.725 223 A CB -0.144 18.828 19.000 -0.046 0.000 0.784 223 A HN 0.305 8.347 8.150 -0.179 0.000 0.472 224 Y N -8.277 111.949 120.300 -0.122 0.000 2.750 224 Y HA 0.096 4.581 4.550 -0.109 0.000 0.335 224 Y C -1.243 174.654 175.900 -0.005 0.000 1.252 224 Y CA -1.205 56.848 58.100 -0.078 0.000 1.064 224 Y CB 1.436 39.855 38.460 -0.069 0.000 1.321 224 Y HN -0.861 7.136 8.280 -0.342 0.077 0.451 225 G N -2.581 106.313 108.800 0.155 0.000 2.353 225 G HA2 -0.146 3.940 3.960 0.211 0.000 0.615 225 G HA3 -0.146 3.752 3.960 -0.103 0.000 0.615 225 G C -2.022 172.927 174.900 0.082 0.000 1.280 225 G CA -0.546 44.589 45.100 0.058 0.000 1.000 225 G HN -0.374 8.114 8.290 0.331 0.000 0.516 226 P HA -0.072 4.359 4.420 0.019 0.000 0.214 226 P C 1.252 178.569 177.300 0.029 0.000 1.162 226 P CA 1.895 65.007 63.100 0.019 0.000 0.874 226 P CB 0.740 32.435 31.700 -0.008 0.000 0.784 227 M N -2.529 117.080 119.600 0.015 0.000 2.159 227 M HA -0.253 4.235 4.480 0.012 0.000 0.263 227 M C 1.585 177.925 176.300 0.066 0.000 1.063 227 M CA 3.769 59.081 55.300 0.020 0.000 1.110 227 M CB -0.331 32.268 32.600 -0.001 0.000 1.374 227 M HN -0.118 8.171 8.290 -0.002 0.000 0.411 228 C N -2.550 116.804 119.300 0.090 0.000 2.453 228 C HA -0.423 4.193 4.460 0.260 0.000 0.277 228 C C 1.796 176.970 174.990 0.307 0.000 1.262 228 C CA 3.137 62.280 59.018 0.208 0.000 1.718 228 C CB -0.193 27.616 27.740 0.115 0.000 2.031 228 C HN -0.250 7.997 8.230 0.044 0.010 0.480 229 D N 1.377 121.907 120.400 0.216 0.000 2.106 229 D HA -0.304 4.510 4.640 0.290 0.000 0.191 229 D C 2.590 179.018 176.300 0.214 0.000 0.997 229 D CA 3.521 57.669 54.000 0.247 0.000 0.834 229 D CB -0.413 40.529 40.800 0.235 0.000 0.956 229 D HN -0.307 8.160 8.370 0.161 0.000 0.448 230 I N -1.613 119.031 120.570 0.124 0.000 2.236 230 I HA -0.430 3.901 4.170 0.053 -0.130 0.249 230 I C 2.201 178.357 176.117 0.065 0.000 1.102 230 I CA 3.838 65.177 61.300 0.066 0.000 1.365 230 I CB -0.100 37.909 38.000 0.015 0.000 1.051 230 I HN -0.216 8.054 8.210 0.101 0.000 0.420 231 L N -3.996 117.266 121.223 0.065 0.000 2.341 231 L HA -0.105 4.210 4.340 -0.043 0.000 0.214 231 L C 0.827 177.561 176.870 -0.228 0.000 1.115 231 L CA 2.536 57.334 54.840 -0.070 0.000 0.820 231 L CB -0.373 41.604 42.059 -0.136 0.000 0.944 231 L HN -0.652 7.529 8.230 0.116 0.118 0.452 232 W N -3.990 117.316 121.300 0.010 0.000 3.103 232 W HA 0.178 4.873 4.660 0.058 0.000 0.325 232 W C 0.301 176.887 176.519 0.113 0.000 1.170 232 W CA -0.636 56.748 57.345 0.064 0.000 1.712 232 W CB 1.327 30.822 29.460 0.057 0.000 1.068 232 W HN -0.537 7.665 8.180 0.319 0.169 0.592 233 S N 1.440 117.318 115.700 0.297 0.000 2.558 233 S HA -0.249 4.376 4.470 0.259 0.000 0.291 233 S C -1.457 173.344 174.600 0.335 0.000 1.306 233 S CA 2.511 60.901 58.200 0.318 0.000 1.056 233 S CB 0.406 63.812 63.200 0.344 0.000 0.836 233 S HN 0.320 8.532 8.310 0.246 0.245 0.504 234 D N 1.520 121.984 120.400 0.106 0.000 2.655 234 D HA 0.466 5.174 4.640 0.113 0.000 0.229 234 D C -2.454 173.382 176.300 -0.772 0.000 1.229 234 D CA -1.507 52.436 54.000 -0.096 0.000 0.807 234 D CB 3.586 44.434 40.800 0.079 0.000 1.514 234 D HN -0.555 7.807 8.370 -0.013 0.000 0.444 235 P HA 0.232 3.903 4.420 -1.544 -0.177 0.272 235 P C -0.690 176.477 177.300 -0.222 0.000 1.230 235 P CA -0.464 62.129 63.100 -0.845 0.000 0.788 235 P CB 1.112 32.396 31.700 -0.695 0.000 0.949 236 L N 0.503 121.670 121.223 -0.093 0.000 2.483 236 L HA -0.138 3.794 4.340 -0.679 0.000 0.275 236 L C 1.807 178.510 176.870 -0.278 0.000 1.220 236 L CA -0.857 53.822 54.840 -0.269 0.000 0.833 236 L CB 0.012 42.050 42.059 -0.035 0.000 1.102 236 L HN 0.053 8.365 8.230 0.138 0.000 0.490 237 E N 0.303 120.248 120.200 -0.424 0.000 2.331 237 E HA -0.284 3.920 4.350 -0.242 0.000 0.199 237 E C -0.915 175.635 176.600 -0.084 0.000 1.008 237 E CA 2.180 58.431 56.400 -0.248 0.000 0.843 237 E CB 0.128 29.686 29.700 -0.237 0.000 0.761 237 E HN 0.284 8.297 8.360 -0.578 0.000 0.507 238 D N -3.908 116.469 120.400 -0.039 0.000 2.861 238 D HA 0.034 4.690 4.640 0.027 0.000 0.357 238 D C -0.576 175.769 176.300 0.076 0.000 1.250 238 D CA -1.112 52.898 54.000 0.016 0.000 0.802 238 D CB -1.583 39.206 40.800 -0.018 0.000 1.141 238 D HN -0.387 7.871 8.370 -0.069 0.070 0.489 239 F N 3.812 123.769 119.950 0.012 0.000 2.738 239 F HA -0.190 4.377 4.527 0.066 0.000 0.301 239 F C -1.732 174.113 175.800 0.075 0.000 1.269 239 F CA 0.301 58.350 58.000 0.081 0.000 1.441 239 F CB -0.806 38.298 39.000 0.175 0.000 1.101 239 F HN -0.350 8.124 8.300 0.288 0.000 0.545 240 G N -1.712 107.095 108.800 0.011 0.000 2.789 240 G HA2 0.005 3.856 3.960 -0.182 0.000 0.164 240 G HA3 0.005 3.951 3.960 -0.024 0.000 0.164 240 G C -1.110 173.732 174.900 -0.097 0.000 1.279 240 G CA 0.690 45.744 45.100 -0.076 0.000 0.741 240 G HN -0.275 7.845 8.290 0.029 0.187 0.685 241 N N 2.398 121.066 118.700 -0.052 0.000 2.968 241 N HA 0.123 4.827 4.740 -0.059 0.000 0.271 241 N C -1.416 174.072 175.510 -0.036 0.000 1.174 241 N CA -0.301 52.720 53.050 -0.047 0.000 1.096 241 N CB -0.561 37.906 38.487 -0.034 0.000 1.403 241 N HN 0.119 8.482 8.380 -0.029 0.000 0.522 242 E N -0.079 120.096 120.200 -0.042 0.000 2.277 242 E HA 0.211 4.737 4.350 -0.022 -0.189 0.274 242 E C 0.271 176.862 176.600 -0.014 0.000 1.022 242 E CA -0.368 56.017 56.400 -0.026 0.000 0.853 242 E CB 1.453 31.137 29.700 -0.026 0.000 1.086 242 E HN -0.536 7.748 8.360 -0.059 0.040 0.397 243 K N 3.955 124.352 120.400 -0.006 0.000 2.424 243 K HA 0.156 4.474 4.320 -0.003 0.000 0.198 243 K C 1.221 177.825 176.600 0.007 0.000 1.190 243 K CA 1.064 57.350 56.287 -0.001 0.000 0.935 243 K CB 0.761 33.260 32.500 -0.002 0.000 1.087 243 K HN 0.717 8.964 8.250 -0.005 0.000 0.524 244 T N -2.093 112.468 114.554 0.011 0.000 2.770 244 T HA -0.238 4.122 4.350 0.017 0.000 0.258 244 T C 0.806 175.522 174.700 0.026 0.000 1.039 244 T CA 0.525 62.637 62.100 0.020 0.000 1.143 244 T CB 0.407 69.291 68.868 0.027 0.000 0.866 244 T HN -0.192 8.053 8.240 0.009 0.000 0.428 245 Q N -1.170 118.650 119.800 0.032 0.000 2.487 245 Q HA -0.319 4.050 4.340 0.047 0.000 0.270 245 Q C -2.101 173.948 176.000 0.082 0.000 0.901 245 Q CA 0.358 56.191 55.803 0.050 0.000 1.095 245 Q CB -1.098 27.667 28.738 0.044 0.000 1.286 245 Q HN 0.274 8.559 8.270 0.025 0.000 0.613 246 E N -0.999 119.247 120.200 0.076 0.000 2.360 246 E HA -0.041 4.360 4.350 0.086 0.000 0.269 246 E C 0.266 176.957 176.600 0.151 0.000 1.022 246 E CA -0.663 55.800 56.400 0.104 0.000 0.887 246 E CB 0.807 30.566 29.700 0.099 0.000 0.990 246 E HN -0.536 7.859 8.360 0.057 0.000 0.426 247 H N 4.987 124.037 119.070 -0.034 0.000 2.261 247 H HA -0.132 4.277 4.556 -0.244 0.000 0.301 247 H C 0.444 175.539 175.328 -0.388 0.000 1.067 247 H CA 2.365 58.291 56.048 -0.204 0.000 1.297 247 H CB 0.588 30.294 29.762 -0.092 0.000 1.377 247 H HN 0.359 8.762 8.280 0.205 0.000 0.492 248 F N -4.159 115.917 119.950 0.209 0.000 2.546 248 F HA 0.938 5.810 4.527 0.193 -0.229 0.320 248 F C 0.026 175.919 175.800 0.155 0.000 1.076 248 F CA -1.422 56.667 58.000 0.148 0.000 0.928 248 F CB 4.049 43.062 39.000 0.021 0.000 1.189 248 F HN -0.493 8.039 8.300 0.387 0.000 0.465 249 T N -2.066 112.734 114.554 0.410 0.000 2.843 249 T HA 0.336 4.877 4.350 0.317 0.000 0.302 249 T C -1.742 173.214 174.700 0.427 0.000 1.232 249 T CA -2.332 59.988 62.100 0.366 0.000 1.009 249 T CB 2.696 71.749 68.868 0.307 0.000 1.254 249 T HN 0.292 8.817 8.240 0.475 0.000 0.504 250 H N 2.692 121.967 119.070 0.341 0.000 2.848 250 H HA -0.142 4.447 4.556 0.057 0.000 0.341 250 H C 0.122 175.548 175.328 0.162 0.000 1.060 250 H CA 2.173 58.318 56.048 0.162 0.000 1.444 250 H CB 0.702 30.509 29.762 0.075 0.000 1.446 250 H HN 0.368 8.914 8.280 0.443 0.000 0.583 251 N N 5.676 124.396 118.700 0.035 0.000 2.605 251 N HA 0.015 4.906 4.740 0.252 0.000 0.258 251 N C 0.391 175.970 175.510 0.115 0.000 1.156 251 N CA -0.634 52.376 53.050 -0.066 0.000 1.008 251 N CB -0.584 37.555 38.487 -0.580 0.000 1.354 251 N HN -0.219 8.049 8.380 -0.186 0.000 0.509 252 T N 0.308 115.022 114.554 0.266 0.000 2.985 252 T HA -0.157 4.241 4.350 0.080 0.000 0.266 252 T C 1.132 175.931 174.700 0.165 0.000 1.076 252 T CA 2.458 64.652 62.100 0.156 0.000 1.135 252 T CB 0.229 69.174 68.868 0.129 0.000 0.890 252 T HN -0.157 8.320 8.240 0.395 0.000 0.480 253 V N 1.941 122.029 119.914 0.290 0.000 2.244 253 V HA -0.287 3.931 4.120 0.165 0.000 0.244 253 V C 1.436 177.652 176.094 0.203 0.000 1.042 253 V CA 2.696 65.143 62.300 0.246 0.000 1.006 253 V CB 0.119 32.136 31.823 0.324 0.000 0.641 253 V HN -0.582 7.875 8.190 0.489 0.026 0.446 254 R N -2.833 117.794 120.500 0.212 0.000 2.280 254 R HA -0.132 4.350 4.340 0.236 0.000 0.207 254 R C 0.824 177.176 176.300 0.087 0.000 1.043 254 R CA 0.328 56.541 56.100 0.188 0.000 1.006 254 R CB -0.323 30.105 30.300 0.214 0.000 0.885 254 R HN 0.453 9.327 8.270 0.255 -0.451 0.467 255 G N -1.134 107.683 108.800 0.028 0.000 2.148 255 G HA2 -0.396 3.709 3.960 -0.034 0.000 0.254 255 G HA3 -0.396 3.542 3.960 -0.037 0.000 0.254 255 G C -0.956 173.851 174.900 -0.155 0.000 0.981 255 G CA 0.306 45.379 45.100 -0.045 0.000 0.670 255 G HN -0.112 8.048 8.290 0.066 0.170 0.528 256 C N -5.306 113.873 119.300 -0.201 0.000 3.253 256 C HA 0.258 4.551 4.460 -0.278 0.000 0.342 256 C C -1.782 173.017 174.990 -0.318 0.000 1.306 256 C CA -2.002 56.822 59.018 -0.324 0.000 1.207 256 C CB 1.738 29.143 27.740 -0.557 0.000 1.479 256 C HN -0.646 7.446 8.230 -0.136 0.056 0.469 257 S N -1.021 114.451 115.700 -0.380 0.000 3.701 257 S HA -0.344 4.207 4.470 -0.270 -0.242 0.633 257 S C -1.763 172.434 174.600 -0.672 0.000 2.263 257 S CA 0.730 58.728 58.200 -0.337 0.000 2.658 257 S CB 0.445 63.635 63.200 -0.017 0.000 0.323 257 S HN 0.276 8.354 8.310 -0.386 0.000 1.605 258 Y N -2.895 117.328 120.300 -0.128 0.000 2.805 258 Y HA 0.585 5.234 4.550 -0.117 -0.169 0.323 258 Y C -1.281 174.467 175.900 -0.253 0.000 1.279 258 Y CA -1.247 56.783 58.100 -0.117 0.000 1.103 258 Y CB 4.288 42.760 38.460 0.019 0.000 1.324 258 Y HN -0.087 8.220 8.280 0.045 0.000 0.498 259 F N -3.026 117.093 119.950 0.280 0.000 2.529 259 F HA 0.901 5.611 4.527 -0.138 -0.266 0.320 259 F C -0.825 175.007 175.800 0.053 0.000 1.118 259 F CA -2.474 55.545 58.000 0.033 0.000 0.915 259 F CB 4.229 43.227 39.000 -0.003 0.000 1.161 259 F HN 0.787 9.277 8.300 0.482 0.099 0.445 260 Y N 0.111 120.596 120.300 0.308 0.000 2.361 260 Y HA 0.802 5.388 4.550 -0.229 -0.173 0.332 260 Y C -0.992 175.005 175.900 0.162 0.000 1.101 260 Y CA -3.141 54.977 58.100 0.030 0.000 1.137 260 Y CB 1.396 39.840 38.460 -0.027 0.000 1.207 260 Y HN 0.363 8.223 8.280 -0.700 0.000 0.463 261 S N 2.389 118.160 115.700 0.120 0.000 2.738 261 S HA 0.494 5.057 4.470 0.155 0.000 0.284 261 S C 0.575 175.061 174.600 -0.191 0.000 1.146 261 S CA -2.102 56.114 58.200 0.027 0.000 0.997 261 S CB 2.261 65.415 63.200 -0.076 0.000 1.081 261 S HN -0.200 8.034 8.310 -0.126 0.000 0.553 262 Y N 1.804 121.575 120.300 -0.882 0.000 2.181 262 Y HA -0.131 3.610 4.550 -1.347 0.000 0.288 262 Y C -0.579 175.104 175.900 -0.362 0.000 1.146 262 Y CA 4.629 62.152 58.100 -0.961 0.000 1.164 262 Y CB -2.325 35.633 38.460 -0.837 0.000 0.982 262 Y HN -0.010 8.161 8.280 -0.566 -0.230 0.515 263 P HA -0.155 3.919 4.420 -0.576 0.000 0.219 263 P C 0.732 177.665 177.300 -0.612 0.000 1.150 263 P CA 2.490 65.313 63.100 -0.462 0.000 0.814 263 P CB -0.945 30.676 31.700 -0.131 0.000 0.787 264 A N -1.199 121.198 122.820 -0.705 0.000 1.873 264 A HA -0.194 3.288 4.320 -1.397 0.000 0.215 264 A C 1.971 179.306 177.584 -0.414 0.000 1.186 264 A CA 2.805 54.319 52.037 -0.872 0.000 0.616 264 A CB -0.548 17.904 19.000 -0.914 0.000 0.823 264 A HN -0.761 6.962 8.150 -0.511 0.120 0.442 265 V N -1.610 118.159 119.914 -0.241 0.000 2.358 265 V HA -0.536 3.526 4.120 -0.096 0.000 0.246 265 V C 1.575 177.623 176.094 -0.076 0.000 1.047 265 V CA 4.418 66.657 62.300 -0.100 0.000 1.035 265 V CB -0.072 31.763 31.823 0.020 0.000 0.658 265 V HN -0.351 7.718 8.190 -0.201 0.000 0.452 266 C N -1.207 117.956 119.300 -0.228 0.000 2.419 266 C HA -0.515 3.865 4.460 -0.132 0.000 0.281 266 C C 1.646 176.565 174.990 -0.118 0.000 1.336 266 C CA 5.367 64.249 59.018 -0.226 0.000 1.770 266 C CB -0.603 26.845 27.740 -0.487 0.000 1.929 266 C HN -0.173 7.840 8.230 -0.360 0.000 0.509 267 E N 0.457 120.586 120.200 -0.117 0.000 2.072 267 E HA -0.252 4.091 4.350 -0.011 0.000 0.190 267 E C 1.932 178.573 176.600 0.069 0.000 0.982 267 E CA 3.116 59.505 56.400 -0.018 0.000 0.803 267 E CB -0.222 29.470 29.700 -0.014 0.000 0.755 267 E HN -0.714 7.393 8.360 -0.209 0.128 0.453 268 F N 1.487 121.408 119.950 -0.048 0.000 2.134 268 F HA -0.334 4.198 4.527 0.008 0.000 0.299 268 F C 1.743 177.552 175.800 0.016 0.000 1.097 268 F CA 3.673 61.669 58.000 -0.006 0.000 1.264 268 F CB 0.188 39.177 39.000 -0.019 0.000 1.001 268 F HN -0.665 7.734 8.300 0.165 0.000 0.479 269 L N -2.213 119.081 121.223 0.119 0.000 1.970 269 L HA -0.571 3.782 4.340 0.022 0.000 0.212 269 L C 2.445 179.272 176.870 -0.071 0.000 1.071 269 L CA 3.468 58.319 54.840 0.019 0.000 0.751 269 L CB -0.593 41.492 42.059 0.043 0.000 0.889 269 L HN 0.175 8.514 8.230 0.181 0.000 0.432 270 Q N -2.672 117.103 119.800 -0.042 0.000 2.112 270 Q HA -0.420 3.882 4.340 -0.062 0.000 0.206 270 Q C 2.913 178.868 176.000 -0.074 0.000 0.987 270 Q CA 3.099 58.871 55.803 -0.051 0.000 0.858 270 Q CB -0.258 28.464 28.738 -0.028 0.000 0.905 270 Q HN -0.450 7.808 8.270 -0.021 0.000 0.420 271 H N 0.365 119.335 119.070 -0.166 0.000 2.389 271 H HA -0.138 4.338 4.556 -0.134 0.000 0.299 271 H C 0.815 175.986 175.328 -0.261 0.000 1.081 271 H CA 2.798 58.729 56.048 -0.195 0.000 1.345 271 H CB 0.225 29.863 29.762 -0.207 0.000 1.393 271 H HN -0.379 7.910 8.280 0.026 0.006 0.520 272 N N -3.996 114.560 118.700 -0.239 0.000 2.270 272 N HA -0.022 4.588 4.740 -0.217 0.000 0.198 272 N C -0.884 174.514 175.510 -0.186 0.000 1.117 272 N CA 0.096 52.982 53.050 -0.272 0.000 0.845 272 N CB 0.570 38.769 38.487 -0.481 0.000 0.980 272 N HN -0.344 7.763 8.380 -0.277 0.107 0.486 273 N N -1.086 117.518 118.700 -0.161 0.000 2.705 273 N HA -0.459 4.203 4.740 -0.116 0.009 0.255 273 N C -2.082 173.351 175.510 -0.129 0.000 1.008 273 N CA 0.899 53.870 53.050 -0.130 0.000 0.742 273 N CB -0.884 37.528 38.487 -0.125 0.000 0.906 273 N HN -0.100 7.966 8.380 -0.164 0.216 0.541 274 L N -3.273 117.880 121.223 -0.117 0.000 2.344 274 L HA 0.053 4.357 4.340 -0.159 -0.059 0.272 274 L C -1.043 175.737 176.870 -0.150 0.000 1.035 274 L CA -0.240 54.526 54.840 -0.124 0.000 0.807 274 L CB 1.359 43.389 42.059 -0.047 0.000 1.237 274 L HN -0.012 8.027 8.230 -0.106 0.127 0.442 275 L N 0.037 121.090 121.223 -0.284 0.000 2.071 275 L HA 0.109 4.330 4.340 -0.198 0.000 0.201 275 L C -0.033 176.788 176.870 -0.081 0.000 1.076 275 L CA 1.222 55.878 54.840 -0.308 0.000 0.755 275 L CB 0.854 42.447 42.059 -0.776 0.000 0.915 275 L HN 0.773 8.650 8.230 -0.381 0.125 0.445 276 S N -7.281 108.381 115.700 -0.064 0.000 2.588 276 S HA 0.164 4.714 4.470 0.133 0.000 0.269 276 S C -2.088 172.606 174.600 0.155 0.000 1.157 276 S CA -1.175 57.117 58.200 0.153 0.000 0.824 276 S CB 1.835 65.243 63.200 0.347 0.000 1.126 276 S HN -0.877 7.279 8.310 -0.257 0.000 0.464 277 I N 2.761 123.406 120.570 0.124 0.000 2.359 277 I HA 0.298 4.644 4.170 0.088 -0.123 0.284 277 I C -1.580 174.581 176.117 0.073 0.000 1.018 277 I CA -2.344 58.998 61.300 0.070 0.000 1.173 277 I CB -0.412 37.570 38.000 -0.031 0.000 1.326 277 I HN -0.103 8.179 8.210 0.120 0.000 0.462 278 L N 7.605 128.881 121.223 0.088 0.000 2.264 278 L HA 0.472 5.003 4.340 0.076 -0.146 0.289 278 L C -0.818 176.075 176.870 0.039 0.000 1.044 278 L CA -0.539 54.341 54.840 0.066 0.000 0.807 278 L CB -0.041 42.048 42.059 0.050 0.000 1.192 278 L HN 0.112 8.407 8.230 0.108 0.000 0.425 279 R N -0.039 120.484 120.500 0.037 0.000 2.902 279 R HA 0.847 5.304 4.340 0.024 -0.103 0.264 279 R C -2.086 174.229 176.300 0.026 0.000 1.059 279 R CA -1.185 54.927 56.100 0.019 0.000 0.935 279 R CB 3.014 33.309 30.300 -0.009 0.000 1.325 279 R HN 0.633 8.936 8.270 0.055 0.000 0.438 280 A N -1.140 121.663 122.820 -0.029 0.000 3.389 280 A HA 0.297 4.656 4.320 0.065 0.000 0.179 280 A C -1.252 176.299 177.584 -0.055 0.000 0.848 280 A CA -0.884 51.152 52.037 -0.003 0.000 1.090 280 A CB 1.114 20.130 19.000 0.026 0.000 1.808 280 A HN -0.294 7.799 8.150 -0.094 0.000 0.715 281 H N -2.600 116.293 119.070 -0.295 0.000 3.898 281 H HA -0.331 4.209 4.556 -0.290 -0.158 0.171 281 H C -1.744 173.520 175.328 -0.107 0.000 0.920 281 H CA 1.475 57.330 56.048 -0.322 0.000 1.238 281 H CB -0.586 28.880 29.762 -0.493 0.000 0.997 281 H HN -0.161 8.347 8.280 -0.059 -0.263 0.380 282 E N -0.763 119.372 120.200 -0.107 0.000 2.182 282 E HA 0.227 4.386 4.350 -0.319 0.000 0.258 282 E C -1.956 174.336 176.600 -0.513 0.000 0.879 282 E CA -1.743 54.507 56.400 -0.250 0.000 0.754 282 E CB 2.295 31.928 29.700 -0.111 0.000 1.162 282 E HN -0.077 8.161 8.360 -0.002 0.121 0.419 283 A N 4.178 126.416 122.820 -0.970 0.000 2.498 283 A HA -0.094 1.958 4.320 -3.780 0.000 0.239 283 A C -0.937 176.154 177.584 -0.823 0.000 1.068 283 A CA 0.756 51.724 52.037 -1.781 0.000 0.766 283 A CB 0.702 18.805 19.000 -1.495 0.000 1.003 283 A HN 0.293 8.001 8.150 -0.738 0.000 0.497 284 Q N 1.198 120.627 119.800 -0.617 0.000 2.347 284 Q HA 0.176 4.382 4.340 -0.223 0.000 0.271 284 Q C -0.002 175.957 176.000 -0.068 0.000 1.064 284 Q CA -1.148 54.523 55.803 -0.218 0.000 0.800 284 Q CB 3.206 31.885 28.738 -0.098 0.000 1.304 284 Q HN 0.063 7.850 8.270 -0.804 0.000 0.438 285 D N 5.168 125.549 120.400 -0.031 0.000 2.219 285 D HA -0.214 4.472 4.640 0.076 0.000 0.205 285 D C 0.072 176.408 176.300 0.060 0.000 0.970 285 D CA 3.125 57.148 54.000 0.039 0.000 0.851 285 D CB 0.296 41.116 40.800 0.033 0.000 0.943 285 D HN 0.643 8.974 8.370 -0.065 0.000 0.488 286 A N -5.457 117.405 122.820 0.069 0.000 2.430 286 A HA 0.158 4.528 4.320 0.084 0.000 0.243 286 A C -0.334 177.354 177.584 0.174 0.000 1.254 286 A CA -0.754 51.366 52.037 0.138 0.000 0.914 286 A CB -0.136 19.008 19.000 0.241 0.000 0.998 286 A HN 0.138 8.275 8.150 0.032 0.033 0.515 287 G N -3.099 105.786 108.800 0.141 0.000 2.184 287 G HA2 -0.332 3.841 3.960 0.200 0.000 0.264 287 G HA3 -0.332 3.501 3.960 -0.019 0.116 0.264 287 G C -2.046 172.990 174.900 0.227 0.000 0.975 287 G CA 1.015 46.196 45.100 0.134 0.000 0.642 287 G HN -0.226 7.925 8.290 0.114 0.207 0.536 288 Y N -5.242 115.025 120.300 -0.053 0.000 2.702 288 Y HA 0.985 5.760 4.550 -0.030 -0.243 0.336 288 Y C -2.988 172.850 175.900 -0.104 0.000 1.203 288 Y CA -3.486 54.576 58.100 -0.062 0.000 1.072 288 Y CB 2.027 40.443 38.460 -0.074 0.000 1.327 288 Y HN -0.986 7.414 8.280 0.332 0.080 0.456 289 R N -0.228 120.001 120.500 -0.451 0.000 2.522 289 R HA 0.375 4.199 4.340 -0.860 0.000 0.273 289 R C -2.224 173.758 176.300 -0.530 0.000 1.133 289 R CA 0.060 55.781 56.100 -0.632 0.000 0.969 289 R CB 4.021 34.008 30.300 -0.521 0.000 1.235 289 R HN 0.353 8.518 8.270 -0.175 0.000 0.433 290 M N 4.442 123.731 119.600 -0.519 0.000 2.209 290 M HA 0.174 4.559 4.480 -0.158 0.000 0.355 290 M C -0.774 175.345 176.300 -0.302 0.000 1.171 290 M CA -0.344 54.783 55.300 -0.288 0.000 1.069 290 M CB 1.259 33.746 32.600 -0.189 0.000 1.622 290 M HN 0.271 8.210 8.290 -0.585 0.000 0.459 291 Y N 1.769 122.070 120.300 0.001 0.000 2.458 291 Y HA 0.129 4.748 4.550 0.114 0.000 0.322 291 Y C -0.111 175.901 175.900 0.187 0.000 1.259 291 Y CA -0.902 57.276 58.100 0.131 0.000 1.302 291 Y CB 1.617 40.169 38.460 0.154 0.000 1.314 291 Y HN 0.298 8.700 8.280 0.204 0.000 0.509 292 R N -0.072 120.684 120.500 0.427 0.000 2.478 292 R HA -0.231 4.131 4.340 0.037 0.000 0.281 292 R C -0.451 176.020 176.300 0.285 0.000 0.939 292 R CA 1.701 57.895 56.100 0.157 0.000 1.120 292 R CB 0.232 30.371 30.300 -0.268 0.000 0.885 292 R HN 0.760 9.394 8.270 0.607 0.000 0.415 293 K N 2.704 123.210 120.400 0.177 0.000 2.090 293 K HA 0.196 4.829 4.320 0.251 -0.163 0.250 293 K C -0.257 176.514 176.600 0.285 0.000 1.004 293 K CA -0.835 55.585 56.287 0.221 0.000 0.919 293 K CB 1.076 33.666 32.500 0.149 0.000 1.045 293 K HN -0.069 8.229 8.250 0.080 0.000 0.471 294 S N -0.242 115.610 115.700 0.253 0.000 2.562 294 S HA -0.139 4.484 4.470 0.255 0.000 0.281 294 S C 1.133 175.837 174.600 0.175 0.000 1.333 294 S CA -0.163 58.165 58.200 0.213 0.000 1.052 294 S CB 1.852 65.138 63.200 0.145 0.000 0.884 294 S HN 0.014 8.469 8.310 0.242 0.000 0.506 295 Q N 6.334 126.233 119.800 0.165 0.000 2.291 295 Q HA -0.161 4.247 4.340 0.114 0.000 0.205 295 Q C 1.002 177.051 176.000 0.081 0.000 0.970 295 Q CA 2.343 58.217 55.803 0.118 0.000 0.876 295 Q CB 0.115 28.920 28.738 0.111 0.000 0.935 295 Q HN 0.872 9.249 8.270 0.179 0.000 0.455 296 T N -0.673 113.925 114.554 0.073 0.000 2.818 296 T HA -0.054 4.322 4.350 0.042 0.000 0.246 296 T C 0.401 175.135 174.700 0.057 0.000 1.036 296 T CA 1.461 63.592 62.100 0.050 0.000 1.160 296 T CB 0.875 69.761 68.868 0.030 0.000 0.869 296 T HN -0.357 7.889 8.240 0.081 0.042 0.419 297 T N 3.071 117.669 114.554 0.073 0.000 2.907 297 T HA 0.110 4.498 4.350 0.063 0.000 0.284 297 T C 0.671 175.464 174.700 0.155 0.000 1.004 297 T CA -0.508 61.645 62.100 0.088 0.000 1.063 297 T CB 1.312 70.216 68.868 0.061 0.000 0.992 297 T HN -0.657 7.629 8.240 0.077 0.000 0.483 298 G N 3.742 112.646 108.800 0.173 0.000 3.375 298 G HA2 -0.029 4.052 3.960 0.201 0.000 0.247 298 G HA3 -0.029 4.042 3.960 0.185 0.000 0.247 298 G C -1.224 173.889 174.900 0.356 0.000 1.343 298 G CA -0.311 44.916 45.100 0.211 0.000 1.368 298 G HN 0.436 8.809 8.290 0.137 0.000 0.549 299 F N 1.021 121.027 119.950 0.094 0.000 2.492 299 F HA 0.328 4.930 4.527 0.124 0.000 0.327 299 F C -2.203 173.679 175.800 0.136 0.000 1.079 299 F CA -3.981 54.090 58.000 0.118 0.000 0.967 299 F CB 2.741 41.814 39.000 0.121 0.000 1.169 299 F HN -0.602 7.783 8.300 0.365 0.135 0.472 300 P HA 0.271 4.789 4.420 0.163 0.000 0.271 300 P C -0.615 176.809 177.300 0.207 0.000 1.220 300 P CA -0.540 62.629 63.100 0.115 0.000 0.768 300 P CB 0.496 32.203 31.700 0.012 0.000 0.848 301 S N 0.849 116.714 115.700 0.275 0.000 2.402 301 S HA -0.196 4.396 4.470 0.203 0.000 0.229 301 S C -0.135 174.585 174.600 0.200 0.000 1.021 301 S CA 2.257 60.608 58.200 0.251 0.000 0.974 301 S CB 0.737 64.121 63.200 0.306 0.000 0.800 301 S HN 0.319 8.716 8.310 0.327 0.109 0.484 302 L N -0.438 120.924 121.223 0.232 0.000 2.434 302 L HA 0.531 5.049 4.340 0.069 -0.137 0.260 302 L C -2.721 174.320 176.870 0.286 0.000 0.983 302 L CA -0.013 54.899 54.840 0.119 0.000 0.820 302 L CB 4.198 46.113 42.059 -0.240 0.000 1.361 302 L HN -0.905 7.499 8.230 0.327 0.023 0.410 303 I N 2.060 122.755 120.570 0.209 0.000 2.607 303 I HA 0.534 4.999 4.170 0.227 -0.159 0.290 303 I C -1.714 174.511 176.117 0.180 0.000 1.129 303 I CA -0.872 60.547 61.300 0.199 0.000 1.042 303 I CB 4.507 42.574 38.000 0.112 0.000 1.242 303 I HN 0.789 9.069 8.210 0.116 0.000 0.421 304 T N 8.724 123.381 114.554 0.173 0.000 2.779 304 T HA 0.831 5.517 4.350 0.129 -0.259 0.280 304 T C -1.572 173.193 174.700 0.109 0.000 0.987 304 T CA -0.478 61.705 62.100 0.138 0.000 0.966 304 T CB 1.642 70.598 68.868 0.147 0.000 0.933 304 T HN 0.460 8.763 8.240 0.104 0.000 0.442 305 I N 7.283 127.924 120.570 0.118 0.000 2.433 305 I HA 0.294 4.683 4.170 0.161 -0.122 0.292 305 I C -2.871 173.360 176.117 0.190 0.000 1.001 305 I CA -2.166 59.213 61.300 0.132 0.000 1.119 305 I CB 3.622 41.668 38.000 0.076 0.000 1.289 305 I HN 0.814 8.973 8.210 0.101 0.112 0.438 306 F N 8.530 128.469 119.950 -0.019 0.000 2.496 306 F HA 0.393 4.890 4.527 -0.050 0.000 0.341 306 F C -1.661 174.130 175.800 -0.014 0.000 1.134 306 F CA -1.067 56.909 58.000 -0.040 0.000 0.968 306 F CB 3.230 42.190 39.000 -0.065 0.000 1.205 306 F HN 0.883 9.208 8.300 0.219 0.107 0.436 307 S N 7.989 123.504 115.700 -0.308 0.000 2.573 307 S HA 0.096 4.598 4.470 0.053 0.000 0.244 307 S C -1.631 172.841 174.600 -0.213 0.000 0.984 307 S CA -0.423 57.704 58.200 -0.121 0.000 1.001 307 S CB 0.354 63.513 63.200 -0.069 0.000 0.788 307 S HN 0.452 8.384 8.310 -0.451 0.108 0.456 308 A N 1.172 123.661 122.820 -0.553 0.000 2.644 308 A HA 0.437 4.701 4.320 -0.094 0.000 0.343 308 A C -2.920 174.722 177.584 0.097 0.000 1.324 308 A CA -3.353 48.493 52.037 -0.318 0.000 0.846 308 A CB 0.126 18.760 19.000 -0.610 0.000 1.128 308 A HN -0.302 7.182 8.150 -0.961 0.090 0.484 309 P HA -0.188 4.513 4.420 0.263 -0.123 0.272 309 P C -0.484 176.990 177.300 0.289 0.000 1.230 309 P CA -1.149 62.099 63.100 0.247 0.000 0.788 309 P CB 0.941 32.771 31.700 0.216 0.000 0.949 310 N N -0.511 118.361 118.700 0.286 0.000 2.688 310 N HA -0.616 4.636 4.740 0.279 -0.345 0.258 310 N C -0.717 175.002 175.510 0.348 0.000 1.016 310 N CA 0.690 53.912 53.050 0.286 0.000 0.747 310 N CB -0.531 38.095 38.487 0.233 0.000 0.895 310 N HN 0.234 8.771 8.380 0.261 0.000 0.543 311 Y N 0.865 121.316 120.300 0.252 0.000 2.805 311 Y HA -0.309 4.377 4.550 0.226 0.000 0.337 311 Y C 0.693 176.686 175.900 0.154 0.000 1.252 311 Y CA 1.578 59.803 58.100 0.209 0.000 1.515 311 Y CB 0.516 39.069 38.460 0.156 0.000 1.305 311 Y HN 0.257 9.302 8.280 0.512 -0.457 0.600 312 L N 3.525 124.527 121.223 -0.369 0.000 4.367 312 L HA -0.504 3.615 4.340 -0.369 0.000 0.424 312 L C -0.663 176.180 176.870 -0.045 0.000 1.152 312 L CA 1.066 55.702 54.840 -0.341 0.000 0.974 312 L CB -1.230 40.569 42.059 -0.433 0.000 2.012 312 L HN 0.842 8.863 8.230 -0.348 0.000 0.922 313 D N -7.864 112.578 120.400 0.070 0.000 3.028 313 D HA -0.418 4.700 4.640 0.205 -0.355 0.211 313 D C 0.406 176.788 176.300 0.135 0.000 1.136 313 D CA 2.286 56.372 54.000 0.143 0.000 0.987 313 D CB -1.217 39.662 40.800 0.132 0.000 1.128 313 D HN -0.083 8.282 8.370 0.104 0.067 0.406 314 V N -3.133 116.871 119.914 0.150 0.000 2.735 314 V HA -0.132 4.038 4.120 0.083 0.000 0.234 314 V C 0.936 177.127 176.094 0.160 0.000 1.121 314 V CA 1.626 64.008 62.300 0.138 0.000 1.160 314 V CB 1.255 33.164 31.823 0.143 0.000 0.908 314 V HN -0.601 7.569 8.190 0.155 0.113 0.495 315 Y N -0.896 119.443 120.300 0.065 0.000 2.712 315 Y HA -0.212 4.377 4.550 0.065 0.000 0.333 315 Y C 0.132 176.095 175.900 0.106 0.000 1.225 315 Y CA 1.569 59.724 58.100 0.092 0.000 1.499 315 Y CB -0.138 38.406 38.460 0.139 0.000 1.288 315 Y HN -0.735 7.952 8.280 0.678 0.000 0.575 316 N N 1.683 120.490 118.700 0.178 0.000 2.455 316 N HA -0.103 4.726 4.740 0.147 0.000 0.258 316 N C -1.779 173.824 175.510 0.155 0.000 1.158 316 N CA -1.122 52.011 53.050 0.137 0.000 0.893 316 N CB -0.483 38.044 38.487 0.067 0.000 1.173 316 N HN 0.428 8.871 8.380 0.104 0.000 0.503 317 N N -2.368 116.465 118.700 0.222 0.000 2.503 317 N HA -0.159 4.760 4.740 0.144 -0.093 0.267 317 N C -0.928 174.685 175.510 0.172 0.000 1.214 317 N CA 0.105 53.269 53.050 0.190 0.000 0.959 317 N CB 1.083 39.697 38.487 0.212 0.000 1.142 317 N HN -0.517 7.940 8.380 0.298 0.102 0.455 318 K N 0.014 120.486 120.400 0.120 0.000 2.132 318 K HA 0.132 4.513 4.320 0.101 0.000 0.241 318 K C -1.605 175.027 176.600 0.054 0.000 1.000 318 K CA -0.447 55.884 56.287 0.074 0.000 0.911 318 K CB 2.186 34.690 32.500 0.007 0.000 1.093 318 K HN 0.040 8.236 8.250 0.102 0.115 0.460 319 A N -2.129 120.654 122.820 -0.061 0.000 2.313 319 A HA 0.819 5.291 4.320 -0.014 -0.160 0.323 319 A C -2.162 174.897 177.584 -0.876 0.000 1.133 319 A CA -2.325 49.606 52.037 -0.177 0.000 0.847 319 A CB 3.704 22.780 19.000 0.128 0.000 1.308 319 A HN 0.422 8.539 8.150 -0.055 0.000 0.475 320 A N -2.464 119.906 122.820 -0.752 0.000 2.586 320 A HA 1.135 4.400 4.320 -2.036 -0.166 0.291 320 A C -2.131 175.360 177.584 -0.155 0.000 1.062 320 A CA -0.400 51.097 52.037 -0.901 0.000 0.666 320 A CB 3.447 22.105 19.000 -0.569 0.000 1.281 320 A HN -0.113 7.874 8.150 -0.271 0.000 0.421 321 V N -6.433 113.491 119.914 0.015 0.000 2.760 321 V HA 0.481 4.691 4.120 0.040 -0.066 0.309 321 V C -1.802 174.298 176.094 0.010 0.000 1.077 321 V CA -2.123 60.228 62.300 0.084 0.000 0.910 321 V CB 3.415 35.349 31.823 0.185 0.000 1.008 321 V HN 0.456 8.613 8.190 -0.055 0.000 0.424 322 L N 4.327 125.547 121.223 -0.005 0.000 2.319 322 L HA 0.183 4.507 4.340 -0.026 0.000 0.280 322 L C -1.422 175.434 176.870 -0.022 0.000 1.099 322 L CA -0.984 53.847 54.840 -0.015 0.000 0.828 322 L CB 0.145 42.200 42.059 -0.007 0.000 1.150 322 L HN 0.388 8.617 8.230 -0.001 0.000 0.442 323 K N 6.155 126.542 120.400 -0.022 0.000 2.507 323 K HA 0.274 4.693 4.320 -0.051 -0.130 0.253 323 K C -2.075 174.522 176.600 -0.005 0.000 0.969 323 K CA -1.356 54.909 56.287 -0.036 0.000 0.908 323 K CB 1.960 34.423 32.500 -0.062 0.000 1.127 323 K HN 0.582 8.820 8.250 -0.019 0.000 0.437 324 Y N 9.017 129.233 120.300 -0.140 0.000 2.335 324 Y HA 0.773 5.487 4.550 -0.121 -0.237 0.339 324 Y C -2.382 173.455 175.900 -0.105 0.000 0.987 324 Y CA -1.204 56.803 58.100 -0.155 0.000 1.140 324 Y CB 2.541 40.819 38.460 -0.303 0.000 1.173 324 Y HN 0.285 8.600 8.280 0.059 0.000 0.486 325 E N 6.286 126.206 120.200 -0.466 0.000 2.363 325 E HA 0.058 4.283 4.350 -0.209 0.000 0.281 325 E C -1.646 174.744 176.600 -0.349 0.000 0.953 325 E CA -0.549 55.671 56.400 -0.300 0.000 0.778 325 E CB 3.368 32.977 29.700 -0.151 0.000 1.220 325 E HN 0.678 8.562 8.360 -0.617 0.106 0.431 326 N N 5.823 124.390 118.700 -0.222 0.000 2.707 326 N HA -0.376 4.304 4.740 -0.101 0.000 0.253 326 N C -1.121 174.259 175.510 -0.215 0.000 0.998 326 N CA 1.011 53.965 53.050 -0.159 0.000 0.751 326 N CB -2.076 36.347 38.487 -0.106 0.000 0.920 326 N HN 0.642 8.932 8.380 -0.151 0.000 0.539 327 N N -10.014 108.479 118.700 -0.345 0.000 2.721 327 N HA -0.525 4.016 4.740 -0.332 0.000 0.249 327 N C -1.769 173.567 175.510 -0.290 0.000 1.072 327 N CA 1.263 54.140 53.050 -0.288 0.000 0.710 327 N CB -0.989 37.465 38.487 -0.055 0.000 0.993 327 N HN 0.330 8.473 8.380 -0.395 0.000 0.547 328 V N -1.950 117.669 119.914 -0.492 0.000 2.577 328 V HA 0.125 4.196 4.120 -0.083 0.000 0.303 328 V C -1.375 174.584 176.094 -0.225 0.000 1.042 328 V CA -1.303 60.858 62.300 -0.233 0.000 0.872 328 V CB 2.507 34.238 31.823 -0.154 0.000 0.998 328 V HN -0.060 7.535 8.190 -0.788 0.122 0.423 329 M N 8.714 128.325 119.600 0.019 0.000 2.152 329 M HA 0.225 4.903 4.480 0.085 -0.146 0.354 329 M C -1.676 174.641 176.300 0.029 0.000 1.173 329 M CA -0.803 54.556 55.300 0.099 0.000 1.110 329 M CB 0.124 32.870 32.600 0.244 0.000 1.366 329 M HN 0.457 8.804 8.290 0.096 0.000 0.415 330 N N 6.134 124.825 118.700 -0.015 0.000 2.419 330 N HA 0.252 4.974 4.740 -0.030 0.000 0.277 330 N C -1.950 173.530 175.510 -0.050 0.000 1.006 330 N CA -0.917 52.113 53.050 -0.033 0.000 0.923 330 N CB 2.570 41.032 38.487 -0.042 0.000 1.140 330 N HN 0.642 9.006 8.380 -0.027 0.000 0.488 331 I N 4.617 125.133 120.570 -0.091 0.000 2.330 331 I HA 0.236 4.492 4.170 -0.125 -0.161 0.289 331 I C -0.779 175.235 176.117 -0.173 0.000 1.001 331 I CA -0.981 60.218 61.300 -0.168 0.000 1.193 331 I CB 0.754 38.558 38.000 -0.326 0.000 1.345 331 I HN 0.497 8.654 8.210 -0.088 0.000 0.461 332 R N 8.139 128.576 120.500 -0.105 0.000 2.255 332 R HA 0.329 4.640 4.340 -0.047 0.000 0.326 332 R C -1.749 174.419 176.300 -0.221 0.000 0.986 332 R CA -1.280 54.807 56.100 -0.021 0.000 0.847 332 R CB 1.844 32.256 30.300 0.186 0.000 1.111 332 R HN -0.028 8.201 8.270 -0.068 0.000 0.452 333 Q N 3.289 122.915 119.800 -0.290 0.000 2.257 333 Q HA 0.794 4.662 4.340 -1.069 -0.169 0.262 333 Q C -0.533 175.257 176.000 -0.350 0.000 0.997 333 Q CA -0.609 54.840 55.803 -0.590 0.000 0.873 333 Q CB 2.795 31.321 28.738 -0.354 0.000 1.312 333 Q HN 0.311 8.493 8.270 -0.147 0.000 0.450 334 F N -1.064 118.871 119.950 -0.024 0.000 2.686 334 F HA 0.459 4.981 4.527 -0.008 0.000 0.311 334 F C -2.197 173.613 175.800 0.016 0.000 1.128 334 F CA -2.010 55.986 58.000 -0.008 0.000 0.946 334 F CB 3.173 42.162 39.000 -0.018 0.000 1.336 334 F HN 0.776 8.369 8.300 -1.008 0.103 0.457 335 N N -0.059 118.771 118.700 0.216 0.000 2.478 335 N HA 0.138 4.950 4.740 0.121 0.000 0.275 335 N C -0.231 175.384 175.510 0.174 0.000 1.221 335 N CA -1.534 51.605 53.050 0.148 0.000 0.979 335 N CB 1.895 40.442 38.487 0.100 0.000 1.202 335 N HN -0.153 8.362 8.380 0.225 0.000 0.564 336 C N -2.866 116.522 119.300 0.148 0.000 2.705 336 C HA 0.235 4.919 4.460 0.185 -0.113 0.365 336 C C -0.152 174.915 174.990 0.128 0.000 1.353 336 C CA -0.786 58.327 59.018 0.157 0.000 2.339 336 C CB 1.469 29.302 27.740 0.155 0.000 2.576 336 C HN 0.199 8.506 8.230 0.128 0.000 0.716 337 S N 0.756 116.544 115.700 0.148 0.000 2.600 337 S HA 0.331 4.855 4.470 0.091 0.000 0.300 337 S C -2.015 172.652 174.600 0.110 0.000 1.087 337 S CA -1.986 56.291 58.200 0.129 0.000 0.965 337 S CB 0.680 63.970 63.200 0.149 0.000 1.089 337 S HN -0.145 8.465 8.310 0.192 -0.184 0.496 338 P HA 0.231 4.559 4.420 -0.153 0.000 0.271 338 P C -2.190 175.111 177.300 0.001 0.000 1.216 338 P CA 0.055 63.140 63.100 -0.024 0.000 0.776 338 P CB 0.698 32.410 31.700 0.019 0.000 0.881 339 H N -1.637 117.340 119.070 -0.154 0.000 3.037 339 H HA 0.414 4.576 4.556 -0.657 0.000 0.336 339 H C -2.745 172.435 175.328 -0.246 0.000 1.323 339 H CA -2.105 53.623 56.048 -0.533 0.000 1.159 339 H CB -0.366 28.826 29.762 -0.951 0.000 1.882 339 H HN 0.139 8.131 8.280 -0.481 0.000 0.535 340 P HA 0.034 4.481 4.420 0.045 0.000 0.272 340 P C -2.040 175.397 177.300 0.229 0.000 1.240 340 P CA -0.453 62.710 63.100 0.104 0.000 0.791 340 P CB 0.826 32.576 31.700 0.084 0.000 0.978 341 Y N 0.366 120.614 120.300 -0.087 0.000 2.313 341 Y HA 0.094 4.672 4.550 0.045 0.000 0.332 341 Y C -0.671 175.067 175.900 -0.269 0.000 1.071 341 Y CA 0.517 58.563 58.100 -0.089 0.000 1.169 341 Y CB 1.114 39.515 38.460 -0.098 0.000 1.192 341 Y HN -0.058 8.263 8.280 0.068 0.000 0.487 342 W N 6.393 127.269 121.300 -0.707 0.000 2.683 342 W HA 0.220 4.670 4.660 -0.349 0.000 0.329 342 W C -1.249 174.745 176.519 -0.875 0.000 1.037 342 W CA -1.335 55.629 57.345 -0.635 0.000 1.232 342 W CB 2.772 31.873 29.460 -0.597 0.000 1.390 342 W HN -0.055 7.721 8.180 -0.673 0.000 0.465 343 L N 2.952 124.059 121.223 -0.193 0.000 2.476 343 L HA 0.151 4.288 4.340 -0.338 0.000 0.264 343 L C -1.036 175.774 176.870 -0.099 0.000 1.224 343 L CA -1.633 53.105 54.840 -0.171 0.000 0.821 343 L CB 0.260 42.331 42.059 0.019 0.000 1.101 343 L HN 0.233 8.501 8.230 0.065 0.000 0.488 344 P HA 0.053 4.460 4.420 -0.022 0.000 0.271 344 P C 0.269 177.574 177.300 0.007 0.000 1.220 344 P CA -0.017 63.067 63.100 -0.025 0.000 0.768 344 P CB 0.290 31.978 31.700 -0.020 0.000 0.848 345 N N 3.247 121.926 118.700 -0.036 0.000 2.741 345 N HA -0.457 4.215 4.740 -0.113 0.000 0.251 345 N C -1.058 174.507 175.510 0.092 0.000 1.112 345 N CA 1.576 54.601 53.050 -0.042 0.000 0.750 345 N CB -0.590 37.911 38.487 0.024 0.000 1.119 345 N HN 0.568 8.954 8.380 0.009 0.000 0.561 346 F N -8.806 111.199 119.950 0.090 0.000 3.057 346 F HA -0.473 4.224 4.527 0.283 0.000 0.287 346 F C 0.618 176.490 175.800 0.121 0.000 0.834 346 F CA 1.286 59.349 58.000 0.104 0.000 1.147 346 F CB -2.712 36.221 39.000 -0.112 0.000 1.245 346 F HN -0.518 7.594 8.300 -0.243 0.042 0.509 347 M N 0.000 119.723 119.600 0.205 0.000 2.572 347 M HA 0.000 4.563 4.480 0.139 0.000 0.227 347 M CA 0.000 55.388 55.300 0.147 0.000 0.988 347 M CB 0.000 32.655 32.600 0.092 0.000 1.302 347 M HN 0.000 8.229 8.290 0.145 0.148 0.411