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 1jfp_1_A DATA FIRST_RESID 40 DATA SEQUENCE LAAYMFLLIM LGFPINFLTL YVTVQHKKLR TPLNYILLNL AVADLFMVFG DATA SEQUENCE GFTTTLYTSL HGYFVFGPTG cNLEGFFATL GGEIALWSLV VLAIERYVVV DATA SEQUENCE CKPMSNFRFG ENHAIMGVAF TWVMALACAA PPLVGWSRYI PEGMQCScGI DATA SEQUENCE DYYTPHEETN NESFVIYMFV VHFIIPLIVI FFCYGQLVFT VKEAAAQQQE DATA SEQUENCE SATTQKAEKE VTRMVIIMVI AFLICWLPYA GVAFYIFTHQ GSDFGPIFMT DATA SEQUENCE IPAFFAKTSA VYNPVIYIMM NKQFRNCMVT TLCCGKNPLG DDEASTTVSK DATA SEQUENCE TETSQVAPA 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 40 L HA 0.000 3.915 4.340 -0.708 0.000 0.249 40 L C 0.000 176.558 176.870 -0.520 0.000 1.165 40 L CA 0.000 54.512 54.840 -0.547 0.000 0.813 40 L CB 0.000 41.726 42.059 -0.554 0.000 0.961 41 A N 1.619 124.346 122.820 -0.155 0.000 2.032 41 A HA -0.212 4.017 4.320 -0.151 0.000 0.221 41 A C -0.202 177.414 177.584 0.054 0.000 1.165 41 A CA 2.182 54.171 52.037 -0.081 0.000 0.645 41 A CB -0.349 18.646 19.000 -0.007 0.000 0.807 41 A HN 0.331 8.439 8.150 -0.070 0.000 0.453 42 A N -4.313 118.564 122.820 0.096 0.000 2.674 42 A HA 0.183 4.935 4.320 0.487 -0.140 0.286 42 A C -0.950 176.755 177.584 0.201 0.000 0.980 42 A CA -0.293 51.903 52.037 0.266 0.000 1.028 42 A CB -0.389 18.734 19.000 0.206 0.000 1.199 42 A HN -0.381 7.749 8.150 0.008 0.025 0.499 43 Y N -2.503 117.912 120.300 0.191 0.000 2.500 43 Y HA 0.170 4.896 4.550 0.206 -0.053 0.270 43 Y C 0.724 176.769 175.900 0.243 0.000 1.134 43 Y CA -0.671 57.555 58.100 0.209 0.000 1.293 43 Y CB -0.307 38.267 38.460 0.190 0.000 1.063 43 Y HN 0.107 8.108 8.280 -0.262 0.123 0.534 44 M N 1.722 121.422 119.600 0.166 0.000 2.630 44 M HA -0.163 4.494 4.480 0.295 0.000 0.254 44 M C -1.350 175.063 176.300 0.188 0.000 1.092 44 M CA 1.922 57.317 55.300 0.158 0.000 1.087 44 M CB 0.335 32.907 32.600 -0.046 0.000 1.453 44 M HN -0.058 8.102 8.290 -0.216 0.000 0.509 45 F N -6.266 113.762 119.950 0.130 0.000 2.883 45 F HA 0.385 5.197 4.527 0.184 -0.175 0.383 45 F C -1.971 173.910 175.800 0.134 0.000 1.342 45 F CA -3.453 54.634 58.000 0.145 0.000 1.150 45 F CB -2.496 36.578 39.000 0.124 0.000 2.189 45 F HN -0.621 7.805 8.300 0.448 0.143 0.593 46 L N 0.080 121.515 121.223 0.355 0.000 2.072 46 L HA -0.121 4.357 4.340 0.229 0.000 0.205 46 L C -0.271 176.780 176.870 0.302 0.000 1.079 46 L CA 2.538 57.554 54.840 0.292 0.000 0.752 46 L CB 0.463 42.693 42.059 0.285 0.000 0.906 46 L HN -0.210 8.190 8.230 0.284 0.000 0.436 47 L N -7.279 114.145 121.223 0.334 0.000 3.447 47 L HA 0.311 4.850 4.340 0.219 -0.068 0.353 47 L C -1.692 175.327 176.870 0.248 0.000 1.338 47 L CA 0.466 55.456 54.840 0.249 0.000 0.899 47 L CB 1.387 43.559 42.059 0.187 0.000 1.332 47 L HN 0.352 8.697 8.230 0.393 0.121 0.608 48 I N -0.585 120.153 120.570 0.280 0.000 4.081 48 I HA 0.169 4.505 4.170 0.277 0.000 0.333 48 I C -1.334 174.995 176.117 0.354 0.000 1.413 48 I CA -0.524 60.941 61.300 0.274 0.000 1.110 48 I CB 0.928 39.061 38.000 0.223 0.000 1.082 48 I HN -0.306 7.929 8.210 0.301 0.156 0.402 49 M N 1.091 120.919 119.600 0.380 0.000 2.297 49 M HA 0.316 5.393 4.480 0.529 -0.279 0.241 49 M C -2.102 174.440 176.300 0.404 0.000 1.106 49 M CA -0.063 55.522 55.300 0.475 0.000 0.809 49 M CB 0.402 33.319 32.600 0.528 0.000 2.236 49 M HN -0.328 8.187 8.290 0.351 -0.014 0.362 50 L N -1.295 120.108 121.223 0.300 0.000 2.766 50 L HA 0.426 5.077 4.340 0.375 -0.086 0.242 50 L C 1.469 178.450 176.870 0.184 0.000 1.136 50 L CA -0.856 54.146 54.840 0.270 0.000 0.933 50 L CB 0.614 42.773 42.059 0.168 0.000 1.241 50 L HN 0.290 8.598 8.230 0.255 0.076 0.522 51 G N 0.985 109.911 108.800 0.210 0.000 2.552 51 G HA2 -0.362 3.593 3.960 -0.009 0.000 0.216 51 G HA3 -0.362 3.726 3.960 0.213 0.000 0.216 51 G C -0.238 174.627 174.900 -0.058 0.000 1.240 51 G CA 1.683 46.850 45.100 0.112 0.000 0.796 51 G HN -0.102 8.377 8.290 0.242 -0.044 0.568 52 F N 0.153 120.265 119.950 0.269 0.000 2.440 52 F HA 0.147 3.667 4.527 -1.929 -0.150 0.323 52 F C -1.730 178.633 175.800 7.605 0.000 1.192 52 F CA -2.005 56.626 58.000 1.052 0.000 1.252 52 F CB -0.240 39.670 39.000 1.516 0.000 1.214 52 F HN -0.270 8.365 8.300 0.773 0.128 0.578 53 P HA 0.259 -10.857 4.420 -26.184 -0.174 0.211 53 P C -1.360 175.657 177.300 -0.471 0.000 1.856 53 P CA -0.180 41.944 63.100 -34.961 0.000 0.962 53 P CB -0.676 26.922 31.700 -6.836 0.000 1.785 54 I N 0.607 119.984 120.570 -1.988 0.000 3.891 54 I HA -0.032 3.892 4.170 -0.411 0.000 0.331 54 I C -1.822 173.801 176.117 -0.823 0.000 1.406 54 I CA -1.265 59.586 61.300 -0.748 0.000 1.139 54 I CB -0.683 37.161 38.000 -0.261 0.000 1.056 54 I HN -0.825 6.206 8.210 -1.834 0.078 0.399 55 N N -0.247 117.506 118.700 -1.578 0.000 2.904 55 N HA 0.153 4.605 4.740 -0.570 -0.053 0.257 55 N C -0.913 173.937 175.510 -1.099 0.000 1.363 55 N CA -0.640 51.767 53.050 -1.071 0.000 0.856 55 N CB 0.708 38.737 38.487 -0.764 0.000 1.166 55 N HN -0.469 5.916 8.380 -3.185 0.084 0.499 56 F N -2.877 116.823 119.950 -0.416 0.000 1.713 56 F HA -0.033 4.209 4.527 -0.475 0.000 0.255 56 F C -0.457 175.269 175.800 -0.123 0.000 1.240 56 F CA 0.786 58.570 58.000 -0.359 0.000 1.298 56 F CB 0.161 38.997 39.000 -0.274 0.000 1.971 56 F HN -0.328 7.717 8.300 -0.409 0.010 0.169 57 L N -0.230 121.092 121.223 0.165 0.000 2.955 57 L HA 0.175 4.646 4.340 0.219 0.000 0.238 57 L C -0.377 176.484 176.870 -0.015 0.000 1.359 57 L CA 0.216 55.125 54.840 0.114 0.000 1.214 57 L CB -2.808 39.305 42.059 0.090 0.000 1.600 57 L HN -0.104 8.083 8.230 0.078 0.089 0.442 58 T N -1.937 112.598 114.554 -0.032 0.000 3.827 58 T HA 0.069 4.423 4.350 0.005 0.000 0.307 58 T C 0.017 174.712 174.700 -0.008 0.000 0.930 58 T CA 1.413 63.486 62.100 -0.044 0.000 1.171 58 T CB 1.729 70.533 68.868 -0.106 0.000 1.092 58 T HN -0.328 7.916 8.240 0.062 0.033 0.489 59 L N 1.156 122.323 121.223 -0.093 0.000 2.629 59 L HA 0.126 4.472 4.340 0.011 0.000 0.230 59 L C 0.386 177.269 176.870 0.022 0.000 1.151 59 L CA -0.347 54.462 54.840 -0.052 0.000 0.924 59 L CB -2.192 39.777 42.059 -0.151 0.000 1.137 59 L HN 0.062 8.252 8.230 -0.172 -0.063 0.457 60 Y N -0.073 120.225 120.300 -0.002 0.000 2.224 60 Y HA -0.282 4.287 4.550 0.031 0.000 0.289 60 Y C 0.628 176.543 175.900 0.024 0.000 1.146 60 Y CA 4.390 62.504 58.100 0.023 0.000 1.182 60 Y CB 0.571 39.049 38.460 0.030 0.000 0.983 60 Y HN 0.296 8.463 8.280 0.079 0.160 0.524 61 V N -5.025 115.006 119.914 0.196 0.000 2.843 61 V HA 0.244 4.446 4.120 0.137 0.000 0.366 61 V C -1.992 174.147 176.094 0.075 0.000 1.283 61 V CA -0.936 61.441 62.300 0.129 0.000 1.303 61 V CB -0.556 31.327 31.823 0.101 0.000 1.418 61 V HN -0.568 7.569 8.190 0.169 0.155 0.598 62 T N 3.910 118.511 114.554 0.078 0.000 3.516 62 T HA 0.271 4.667 4.350 0.077 0.000 0.300 62 T C -0.932 173.817 174.700 0.082 0.000 0.995 62 T CA 0.505 62.646 62.100 0.069 0.000 0.982 62 T CB -0.344 68.551 68.868 0.045 0.000 1.199 62 T HN -0.124 8.064 8.240 0.103 0.114 0.481 63 V N -0.658 119.327 119.914 0.119 0.000 3.276 63 V HA 0.316 4.547 4.120 0.103 -0.050 0.319 63 V C -0.160 176.042 176.094 0.179 0.000 1.427 63 V CA -0.919 61.459 62.300 0.130 0.000 1.102 63 V CB -0.145 31.744 31.823 0.110 0.000 1.020 63 V HN 0.240 8.383 8.190 0.142 0.133 0.456 64 Q N 2.336 122.245 119.800 0.181 0.000 2.083 64 Q HA -0.271 4.177 4.340 0.180 0.000 0.198 64 Q C 0.741 176.807 176.000 0.111 0.000 0.969 64 Q CA 3.233 59.112 55.803 0.126 0.000 0.838 64 Q CB 0.108 28.873 28.738 0.045 0.000 0.900 64 Q HN 0.453 8.732 8.270 0.198 0.110 0.436 65 H N -5.257 113.814 119.070 0.001 0.000 2.874 65 H HA 0.059 4.616 4.556 0.001 0.000 0.264 65 H C -0.992 174.349 175.328 0.021 0.000 1.007 65 H CA 0.216 56.266 56.048 0.003 0.000 1.207 65 H CB 1.566 31.325 29.762 -0.006 0.000 1.487 65 H HN -0.273 8.133 8.280 0.210 0.000 0.505 66 K N -6.173 114.314 120.400 0.145 0.000 3.379 66 K HA -0.431 4.220 4.320 0.087 -0.279 0.300 66 K C -1.436 175.221 176.600 0.095 0.000 1.302 66 K CA 0.710 57.057 56.287 0.100 0.000 0.877 66 K CB -2.201 30.342 32.500 0.072 0.000 1.343 66 K HN 0.262 8.573 8.250 0.143 0.024 0.488 67 K N -6.824 113.641 120.400 0.108 0.000 1.786 67 K HA -0.406 3.920 4.320 0.011 0.000 0.615 67 K C 0.023 176.638 176.600 0.025 0.000 1.705 67 K CA 0.962 57.273 56.287 0.040 0.000 1.113 67 K CB -0.576 31.933 32.500 0.015 0.000 1.859 67 K HN -0.064 8.298 8.250 0.167 -0.012 0.668 68 L N 2.498 123.698 121.223 -0.037 0.000 2.384 68 L HA 0.109 4.459 4.340 0.016 0.000 0.258 68 L C -1.029 175.847 176.870 0.009 0.000 1.266 68 L CA -1.242 53.593 54.840 -0.007 0.000 1.162 68 L CB -1.173 40.871 42.059 -0.026 0.000 1.375 68 L HN 0.351 8.535 8.230 -0.076 0.000 0.420 69 R N 4.726 125.244 120.500 0.030 0.000 2.641 69 R HA 0.032 4.396 4.340 0.041 0.000 0.269 69 R C -0.333 175.995 176.300 0.046 0.000 1.074 69 R CA 0.200 56.326 56.100 0.043 0.000 1.133 69 R CB 0.529 30.861 30.300 0.053 0.000 1.029 69 R HN -0.556 7.712 8.270 0.039 0.025 0.488 70 T N 0.260 114.851 114.554 0.062 0.000 3.115 70 T HA 0.199 4.610 4.350 0.101 0.000 0.235 70 T C -1.345 173.420 174.700 0.109 0.000 0.999 70 T CA -0.377 61.787 62.100 0.106 0.000 1.276 70 T CB -1.145 67.797 68.868 0.122 0.000 0.967 70 T HN -0.039 8.235 8.240 0.055 0.000 0.420 71 P HA -0.325 4.156 4.420 0.101 0.000 0.299 71 P C -0.892 176.410 177.300 0.003 0.000 1.970 71 P CA 1.446 64.594 63.100 0.081 0.000 1.766 71 P CB 0.098 31.813 31.700 0.026 0.000 0.236 72 L N -1.478 119.689 121.223 -0.092 0.000 2.933 72 L HA -0.063 4.051 4.340 -0.376 0.000 0.258 72 L C -1.007 175.780 176.870 -0.139 0.000 1.253 72 L CA -0.040 54.681 54.840 -0.199 0.000 1.096 72 L CB -1.666 40.319 42.059 -0.123 0.000 1.432 72 L HN 0.421 8.623 8.230 -0.048 0.000 0.418 73 N N -4.185 114.464 118.700 -0.085 0.000 2.451 73 N HA 0.101 4.811 4.740 -0.126 -0.045 0.271 73 N C 0.789 176.304 175.510 0.009 0.000 1.410 73 N CA -0.912 52.100 53.050 -0.064 0.000 0.884 73 N CB 0.493 38.962 38.487 -0.031 0.000 1.332 73 N HN -0.417 7.772 8.380 -0.053 0.159 0.498 74 Y N 1.196 121.490 120.300 -0.010 0.000 2.384 74 Y HA -0.323 4.212 4.550 -0.025 0.000 0.289 74 Y C 0.805 176.689 175.900 -0.026 0.000 1.152 74 Y CA 2.228 60.314 58.100 -0.023 0.000 1.258 74 Y CB -1.066 37.371 38.460 -0.038 0.000 0.979 74 Y HN 0.738 8.822 8.280 -0.145 0.109 0.549 75 I N -3.990 116.474 120.570 -0.176 0.000 2.454 75 I HA -0.230 3.959 4.170 0.031 0.000 0.254 75 I C 0.174 176.280 176.117 -0.019 0.000 1.156 75 I CA 2.618 63.865 61.300 -0.088 0.000 1.433 75 I CB -0.307 37.632 38.000 -0.102 0.000 1.082 75 I HN -0.376 7.501 8.210 -0.586 -0.018 0.432 76 L N -3.339 117.881 121.223 -0.004 0.000 2.848 76 L HA 0.202 4.399 4.340 -0.078 0.095 0.240 76 L C -0.606 176.261 176.870 -0.004 0.000 1.232 76 L CA -0.482 54.346 54.840 -0.020 0.000 1.031 76 L CB -1.952 40.111 42.059 0.006 0.000 1.338 76 L HN -0.409 7.639 8.230 0.014 0.190 0.509 77 L N -1.037 120.203 121.223 0.029 0.000 2.717 77 L HA 0.197 4.520 4.340 -0.028 0.000 0.239 77 L C 0.444 177.296 176.870 -0.029 0.000 1.086 77 L CA 1.241 56.087 54.840 0.009 0.000 0.897 77 L CB 1.354 43.445 42.059 0.053 0.000 1.214 77 L HN 0.444 8.486 8.230 0.079 0.235 0.508 78 N N -0.236 118.485 118.700 0.034 0.000 2.182 78 N HA -0.082 4.630 4.740 -0.046 0.000 0.186 78 N C 1.296 176.761 175.510 -0.076 0.000 1.036 78 N CA 3.161 56.213 53.050 0.004 0.000 0.850 78 N CB 0.917 39.481 38.487 0.129 0.000 1.010 78 N HN -0.646 7.679 8.380 0.027 0.071 0.432 79 L N -1.043 120.117 121.223 -0.104 0.000 2.779 79 L HA -0.039 4.247 4.340 -0.177 -0.052 0.239 79 L C -0.835 175.935 176.870 -0.168 0.000 1.245 79 L CA 0.387 55.093 54.840 -0.223 0.000 1.064 79 L CB -0.699 41.030 42.059 -0.549 0.000 1.350 79 L HN 0.146 8.213 8.230 -0.060 0.128 0.455 80 A N -1.164 121.571 122.820 -0.142 0.000 1.901 80 A HA 0.060 4.392 4.320 -0.073 -0.056 0.210 80 A C 0.736 178.093 177.584 -0.379 0.000 1.208 80 A CA 1.809 53.752 52.037 -0.157 0.000 0.644 80 A CB 0.916 19.844 19.000 -0.121 0.000 0.863 80 A HN -0.122 7.781 8.150 -0.144 0.160 0.454 81 V N -7.030 112.559 119.914 -0.542 0.000 3.602 81 V HA 0.008 2.766 4.120 -2.270 0.000 0.289 81 V C -0.737 175.048 176.094 -0.515 0.000 1.265 81 V CA 0.883 62.522 62.300 -1.102 0.000 1.202 81 V CB -0.774 30.538 31.823 -0.852 0.000 1.012 81 V HN -0.349 7.532 8.190 -0.328 0.112 0.431 82 A N -2.212 120.485 122.820 -0.205 0.000 2.599 82 A HA 0.196 4.629 4.320 0.189 0.000 0.162 82 A C -1.813 175.809 177.584 0.063 0.000 1.654 82 A CA 0.833 52.892 52.037 0.037 0.000 1.214 82 A CB 1.669 20.695 19.000 0.045 0.000 1.505 82 A HN -0.428 7.588 8.150 -0.238 -0.009 0.481 83 D N -2.878 117.509 120.400 -0.022 0.000 2.760 83 D HA 0.164 4.912 4.640 0.180 0.000 0.314 83 D C -0.695 175.732 176.300 0.212 0.000 1.464 83 D CA -0.280 53.769 54.000 0.081 0.000 0.797 83 D CB 0.043 40.826 40.800 -0.028 0.000 1.149 83 D HN -0.152 8.047 8.370 -0.094 0.115 0.455 84 L N -2.120 119.195 121.223 0.152 0.000 2.467 84 L HA 0.127 4.719 4.340 0.420 0.000 0.213 84 L C 0.879 177.896 176.870 0.244 0.000 1.053 84 L CA 1.220 56.222 54.840 0.270 0.000 0.847 84 L CB 1.130 43.337 42.059 0.247 0.000 1.075 84 L HN -0.519 7.761 8.230 0.032 -0.030 0.479 85 F N -0.327 119.557 119.950 -0.110 0.000 2.502 85 F HA -0.205 4.121 4.527 -0.336 0.000 0.298 85 F C 1.844 177.556 175.800 -0.146 0.000 1.111 85 F CA 1.458 59.229 58.000 -0.382 0.000 1.445 85 F CB -0.890 37.599 39.000 -0.852 0.000 1.081 85 F HN -0.171 8.173 8.300 0.073 0.000 0.558 86 M N -0.082 119.682 119.600 0.275 0.000 2.686 86 M HA -0.142 4.590 4.480 0.421 0.000 0.246 86 M C 0.079 176.505 176.300 0.210 0.000 1.096 86 M CA 2.196 57.684 55.300 0.313 0.000 1.076 86 M CB -0.934 31.849 32.600 0.305 0.000 1.504 86 M HN -0.233 8.120 8.290 0.237 0.080 0.524 87 V N -0.000 119.970 119.914 0.095 0.000 3.556 87 V HA -0.067 4.136 4.120 -0.020 -0.095 0.287 87 V C -0.512 175.593 176.094 0.018 0.000 1.422 87 V CA 1.444 63.692 62.300 -0.087 0.000 1.038 87 V CB 0.440 31.869 31.823 -0.657 0.000 0.850 87 V HN 0.434 8.470 8.190 0.124 0.229 0.437 88 F N 1.820 121.712 119.950 -0.097 0.000 2.128 88 F HA -0.072 4.357 4.527 -0.163 0.000 0.295 88 F C 0.747 176.543 175.800 -0.007 0.000 1.100 88 F CA 3.045 60.947 58.000 -0.163 0.000 1.260 88 F CB 1.184 39.886 39.000 -0.496 0.000 1.009 88 F HN -0.573 7.680 8.300 0.203 0.169 0.476 89 G N -4.223 104.708 108.800 0.218 0.000 2.645 89 G HA2 -0.497 3.658 3.960 0.326 0.000 0.246 89 G HA3 -0.497 3.766 3.960 0.316 -0.114 0.246 89 G C 0.669 175.672 174.900 0.171 0.000 1.322 89 G CA -0.086 45.179 45.100 0.276 0.000 0.898 89 G HN -0.530 7.839 8.290 0.121 -0.007 0.573 90 G N -1.243 107.652 108.800 0.157 0.000 2.807 90 G HA2 -0.147 4.061 3.960 0.143 0.000 0.207 90 G HA3 -0.147 3.894 3.960 0.134 0.000 0.207 90 G C -0.973 173.963 174.900 0.060 0.000 1.151 90 G CA 0.094 45.268 45.100 0.124 0.000 0.800 90 G HN 0.205 8.488 8.290 0.183 0.117 0.523 91 F N -0.639 119.248 119.950 -0.105 0.000 2.482 91 F HA -0.029 4.412 4.527 -0.144 0.000 0.278 91 F C 0.277 176.064 175.800 -0.020 0.000 0.969 91 F CA 2.091 60.019 58.000 -0.120 0.000 1.223 91 F CB 2.112 40.999 39.000 -0.187 0.000 1.140 91 F HN -0.902 7.249 8.300 0.136 0.231 0.672 92 T N -2.474 112.135 114.554 0.092 0.000 3.044 92 T HA 0.024 4.406 4.350 0.053 0.000 0.250 92 T C 0.061 174.665 174.700 -0.159 0.000 1.081 92 T CA 2.390 64.428 62.100 -0.103 0.000 1.040 92 T CB 1.244 69.862 68.868 -0.418 0.000 0.962 92 T HN 0.031 8.340 8.240 0.115 0.000 0.506 93 T N 1.044 115.618 114.554 0.033 0.000 5.355 93 T HA 0.179 5.215 4.350 0.855 -0.173 0.331 93 T C -2.236 172.438 174.700 -0.042 0.000 0.922 93 T CA 0.645 62.775 62.100 0.050 0.000 0.405 93 T CB 0.348 68.994 68.868 -0.370 0.000 0.521 93 T HN -0.492 7.609 8.240 -0.034 0.120 0.260 94 T N 2.079 116.732 114.554 0.164 0.000 3.658 94 T HA 0.469 5.112 4.350 0.521 0.020 0.245 94 T C -1.893 173.027 174.700 0.367 0.000 1.292 94 T CA -1.789 60.505 62.100 0.324 0.000 1.598 94 T CB -0.287 68.730 68.868 0.248 0.000 0.861 94 T HN 0.323 8.629 8.240 0.173 0.038 0.663 95 L N 3.631 125.114 121.223 0.434 0.000 4.114 95 L HA 0.355 5.048 4.340 0.388 -0.119 0.398 95 L C -2.438 174.552 176.870 0.200 0.000 1.159 95 L CA 1.045 56.039 54.840 0.257 0.000 1.399 95 L CB 1.217 43.197 42.059 -0.132 0.000 1.605 95 L HN -0.411 8.255 8.230 0.584 -0.086 0.629 96 Y N -0.050 120.319 120.300 0.114 0.000 2.522 96 Y HA -0.008 4.297 4.550 -0.408 0.000 0.277 96 Y C -1.128 173.696 175.900 -1.794 0.000 1.104 96 Y CA 1.984 59.804 58.100 -0.466 0.000 1.260 96 Y CB 1.937 40.155 38.460 -0.404 0.000 1.151 96 Y HN -0.829 7.673 8.280 0.393 0.014 0.539 97 T N -3.942 106.201 114.554 -7.352 0.000 4.099 97 T HA 0.213 -2.639 4.350 -12.214 -0.126 0.216 97 T C -1.546 164.678 174.700 -14.128 0.000 0.945 97 T CA 0.423 49.791 62.100 -21.220 0.000 1.581 97 T CB -0.398 68.719 68.868 0.414 0.000 0.752 97 T HN -0.551 8.630 8.240 1.569 0.000 0.623 98 S N 0.586 104.349 115.700 -19.895 0.000 4.636 98 S HA 0.069 3.633 4.470 -1.510 0.000 0.044 98 S C -2.433 174.572 174.600 4.008 0.000 0.860 98 S CA 0.611 57.201 58.200 -2.684 0.000 0.895 98 S CB 0.859 64.371 63.200 0.520 0.000 0.432 98 S HN 1.046 -8.103 8.310 -28.777 0.193 0.796 99 L N 1.075 120.469 121.223 -3.048 0.000 3.045 99 L HA 0.044 2.737 4.340 -2.893 -0.089 0.258 99 L C -2.344 173.850 176.870 -1.127 0.000 1.176 99 L CA 1.104 55.010 54.840 -1.557 0.000 1.043 99 L CB -0.727 41.479 42.059 0.244 0.000 1.234 99 L HN 0.496 2.293 8.230 -10.553 0.102 0.651 100 H N -2.397 115.670 119.070 -1.672 0.000 3.006 100 H HA -0.342 3.811 4.556 -0.672 0.000 0.340 100 H C -1.692 173.291 175.328 -0.577 0.000 1.118 100 H CA 0.662 56.231 56.048 -0.798 0.000 1.110 100 H CB -0.460 29.041 29.762 -0.435 0.000 1.608 100 H HN 0.164 6.593 8.280 -3.149 -0.039 0.395 101 G N -0.819 107.686 108.800 -0.493 0.000 2.511 101 G HA2 0.213 3.658 3.960 -0.859 0.000 0.316 101 G HA3 0.213 3.979 3.960 -0.510 -0.111 0.316 101 G C -2.102 172.645 174.900 -0.256 0.000 1.210 101 G CA -1.166 43.590 45.100 -0.573 0.000 0.969 101 G HN -0.796 7.536 8.290 0.190 0.072 0.492 102 Y N -3.163 117.344 120.300 0.346 0.000 2.894 102 Y HA -0.524 4.156 4.550 0.217 0.000 0.466 102 Y C -1.267 174.474 175.900 -0.264 0.000 1.204 102 Y CA 2.125 60.368 58.100 0.240 0.000 2.500 102 Y CB -1.541 36.884 38.460 -0.058 0.000 1.230 102 Y HN 0.372 8.539 8.280 -0.188 0.000 0.630 103 F N -5.265 114.595 119.950 -0.149 0.000 4.491 103 F HA 0.236 4.496 4.527 -0.444 0.000 0.293 103 F C -1.831 173.760 175.800 -0.349 0.000 0.785 103 F CA -0.452 57.235 58.000 -0.521 0.000 0.759 103 F CB 1.100 39.052 39.000 -1.747 0.000 1.978 103 F HN -0.614 7.477 8.300 -0.356 -0.004 0.416 104 V N -2.525 117.502 119.914 0.190 0.000 2.100 104 V HA -0.295 3.842 4.120 0.028 0.000 0.373 104 V C -1.677 174.150 176.094 -0.444 0.000 1.487 104 V CA 0.730 63.007 62.300 -0.039 0.000 0.966 104 V CB -0.270 31.490 31.823 -0.105 0.000 1.169 104 V HN 0.245 9.016 8.190 0.970 0.000 0.188 105 F N -2.748 117.220 119.950 0.030 0.000 1.939 105 F HA -0.092 4.448 4.527 0.022 0.000 0.467 105 F C 0.662 176.411 175.800 -0.085 0.000 0.897 105 F CA 0.392 58.355 58.000 -0.060 0.000 0.731 105 F CB 0.789 39.621 39.000 -0.280 0.000 1.378 105 F HN 0.250 8.575 8.300 0.042 0.000 0.425 106 G N 1.324 110.172 108.800 0.080 0.000 2.557 106 G HA2 -0.294 3.720 3.960 -0.017 0.000 0.292 106 G HA3 -0.294 3.661 3.960 -0.008 0.000 0.292 106 G C -3.164 171.800 174.900 0.106 0.000 1.162 106 G CA -0.144 44.980 45.100 0.039 0.000 0.964 106 G HN -0.441 7.863 8.290 0.023 0.000 0.541 107 P HA 0.303 4.620 4.420 -0.172 0.000 0.285 107 P C -0.266 176.865 177.300 -0.282 0.000 1.259 107 P CA 0.335 63.284 63.100 -0.252 0.000 0.794 107 P CB 0.480 31.828 31.700 -0.588 0.000 0.940 108 T N 1.019 115.415 114.554 -0.262 0.000 13.229 108 T HA -0.387 3.818 4.350 -0.242 0.000 0.418 108 T C 0.063 174.628 174.700 -0.225 0.000 1.449 108 T CA 3.673 65.570 62.100 -0.339 0.000 2.373 108 T CB -0.888 67.634 68.868 -0.577 0.000 2.798 108 T HN 0.481 8.588 8.240 -0.222 0.000 0.615 109 G N -2.948 105.650 108.800 -0.337 0.000 3.873 109 G HA2 0.260 4.268 3.960 0.080 0.000 0.232 109 G HA3 0.260 4.207 3.960 -0.021 0.000 0.232 109 G C -1.570 173.272 174.900 -0.097 0.000 1.097 109 G CA -0.062 44.988 45.100 -0.083 0.000 0.889 109 G HN 0.015 8.008 8.290 -0.415 0.049 0.532 110 c N -6.127 112.380 118.600 -0.156 0.000 6.183 110 c HA -0.203 4.350 4.570 -0.028 0.000 0.208 110 c C -1.703 172.302 174.090 -0.142 0.000 1.130 110 c CA 0.176 56.452 56.329 -0.089 0.000 0.976 110 c CB -1.603 40.877 42.510 -0.049 0.000 2.298 110 c HN 0.011 8.011 8.230 -0.189 0.116 0.691 111 N N 1.711 120.271 118.700 -0.233 0.000 2.187 111 N HA 0.020 4.605 4.740 -0.296 -0.022 0.212 111 N C 0.807 176.100 175.510 -0.360 0.000 1.152 111 N CA -0.148 52.674 53.050 -0.381 0.000 0.872 111 N CB 0.732 38.731 38.487 -0.814 0.000 1.025 111 N HN -0.598 7.660 8.380 -0.203 0.000 0.514 112 L N 2.607 123.810 121.223 -0.033 0.000 1.961 112 L HA -0.383 4.075 4.340 0.196 0.000 0.210 112 L C 2.347 179.253 176.870 0.059 0.000 1.072 112 L CA 3.312 58.244 54.840 0.153 0.000 0.749 112 L CB -0.552 41.691 42.059 0.307 0.000 0.889 112 L HN -0.144 8.092 8.230 0.011 0.000 0.432 113 E N -0.830 119.424 120.200 0.090 0.000 2.110 113 E HA -0.283 4.205 4.350 0.231 0.000 0.225 113 E C 2.459 179.062 176.600 0.004 0.000 1.063 113 E CA 2.135 58.577 56.400 0.070 0.000 0.906 113 E CB -0.943 28.810 29.700 0.088 0.000 0.795 113 E HN 0.676 nan 8.360 nan 0.000 0.479 114 G N -3.910 104.881 108.800 -0.014 0.000 2.551 114 G HA2 -0.116 3.805 3.960 -0.064 0.000 0.216 114 G HA3 -0.116 3.915 3.960 0.119 0.000 0.216 114 G C 1.209 176.157 174.900 0.081 0.000 1.137 114 G CA 0.888 46.008 45.100 0.033 0.000 0.798 114 G HN -0.395 7.719 8.290 -0.080 0.128 0.536 115 F N 2.046 121.762 119.950 -0.390 0.000 2.389 115 F HA 0.169 4.521 4.527 -0.292 0.000 0.275 115 F C 1.381 177.021 175.800 -0.267 0.000 1.009 115 F CA 0.642 58.342 58.000 -0.500 0.000 1.187 115 F CB 0.860 39.244 39.000 -1.027 0.000 1.139 115 F HN -0.200 7.850 8.300 -0.097 0.192 0.613 116 F N -3.956 116.194 119.950 0.334 0.000 2.696 116 F HA 0.097 4.764 4.527 0.233 0.000 0.296 116 F C -0.546 175.371 175.800 0.195 0.000 1.181 116 F CA -1.544 56.610 58.000 0.258 0.000 1.411 116 F CB -2.544 36.633 39.000 0.295 0.000 1.014 116 F HN -0.342 7.529 8.300 -0.715 0.000 0.512 117 A N -1.994 120.928 122.820 0.170 0.000 2.653 117 A HA 0.384 4.799 4.320 0.184 0.016 0.248 117 A C -0.239 177.381 177.584 0.061 0.000 1.211 117 A CA 0.114 52.236 52.037 0.143 0.000 0.991 117 A CB 0.372 19.456 19.000 0.140 0.000 1.252 117 A HN 0.107 8.279 8.150 0.079 0.025 0.593 118 T N 3.832 118.405 114.554 0.032 0.000 2.793 118 T HA -0.275 4.054 4.350 -0.034 0.000 0.228 118 T C 1.543 176.297 174.700 0.090 0.000 1.086 118 T CA 4.021 66.121 62.100 0.000 0.000 1.743 118 T CB 0.158 68.987 68.868 -0.066 0.000 1.187 118 T HN -0.519 7.569 8.240 0.075 0.197 0.404 119 L N -0.004 121.301 121.223 0.137 0.000 2.173 119 L HA -0.410 4.132 4.340 0.181 -0.094 0.239 119 L C 2.787 179.769 176.870 0.187 0.000 1.123 119 L CA 3.756 58.709 54.840 0.188 0.000 0.847 119 L CB -0.889 41.318 42.059 0.246 0.000 0.940 119 L HN 0.110 8.779 8.230 0.137 -0.356 0.450 120 G N -5.303 103.633 108.800 0.227 0.000 2.807 120 G HA2 -0.196 3.948 3.960 0.168 0.000 0.207 120 G HA3 -0.196 4.121 3.960 0.250 -0.207 0.207 120 G C -0.183 174.829 174.900 0.186 0.000 1.151 120 G CA 0.895 46.120 45.100 0.208 0.000 0.800 120 G HN -0.070 8.326 8.290 0.232 0.033 0.523 121 G N -0.955 107.929 108.800 0.139 0.000 2.414 121 G HA2 0.237 4.317 3.960 0.200 0.000 0.198 121 G HA3 0.237 4.224 3.960 0.045 0.000 0.198 121 G C 0.040 174.993 174.900 0.087 0.000 1.399 121 G CA 0.772 45.942 45.100 0.117 0.000 0.618 121 G HN 0.527 8.669 8.290 0.115 0.217 1.054 122 E N 3.397 123.636 120.200 0.064 0.000 2.114 122 E HA -0.373 3.991 4.350 0.025 0.000 0.199 122 E C 1.158 177.921 176.600 0.272 0.000 1.008 122 E CA 3.721 60.184 56.400 0.105 0.000 0.810 122 E CB -0.007 29.764 29.700 0.117 0.000 0.739 122 E HN 0.125 8.439 8.360 0.025 0.061 0.456 123 I N -2.596 118.146 120.570 0.286 0.000 2.876 123 I HA -0.240 4.278 4.170 0.580 0.000 0.264 123 I C 0.433 176.740 176.117 0.317 0.000 1.204 123 I CA 1.746 63.248 61.300 0.336 0.000 1.485 123 I CB -0.120 37.988 38.000 0.180 0.000 1.103 123 I HN -0.525 7.779 8.210 0.209 0.031 0.446 124 A N 0.665 123.654 122.820 0.282 0.000 1.970 124 A HA -0.163 4.344 4.320 0.312 0.000 0.216 124 A C 2.079 179.863 177.584 0.334 0.000 1.170 124 A CA 3.011 55.237 52.037 0.315 0.000 0.645 124 A CB -0.661 18.554 19.000 0.358 0.000 0.816 124 A HN -0.425 7.634 8.150 0.254 0.244 0.447 125 L N -1.778 119.628 121.223 0.306 0.000 2.017 125 L HA -0.377 4.186 4.340 0.371 0.000 0.208 125 L C 2.229 179.356 176.870 0.429 0.000 1.073 125 L CA 3.459 58.507 54.840 0.347 0.000 0.745 125 L CB -0.438 41.807 42.059 0.311 0.000 0.894 125 L HN 0.560 8.745 8.230 0.236 0.187 0.432 126 W N -2.551 118.903 121.300 0.256 0.000 2.379 126 W HA -0.379 4.395 4.660 0.190 0.000 0.307 126 W C 2.384 179.046 176.519 0.238 0.000 1.200 126 W CA 2.296 59.771 57.345 0.216 0.000 1.297 126 W CB -0.020 29.552 29.460 0.187 0.000 1.140 126 W HN 0.752 9.118 8.180 0.494 0.111 0.507 127 S N -1.614 114.354 115.700 0.445 0.000 2.507 127 S HA -0.188 4.545 4.470 0.437 0.000 0.235 127 S C 1.129 175.877 174.600 0.246 0.000 0.988 127 S CA 3.329 61.733 58.200 0.340 0.000 0.944 127 S CB -0.229 63.126 63.200 0.258 0.000 0.762 127 S HN 0.504 8.916 8.310 0.453 0.170 0.526 128 L N -3.875 117.522 121.223 0.290 0.000 2.556 128 L HA 0.158 4.725 4.340 0.199 -0.107 0.226 128 L C 0.450 177.453 176.870 0.221 0.000 1.089 128 L CA 1.009 55.991 54.840 0.237 0.000 0.864 128 L CB 0.153 42.341 42.059 0.215 0.000 1.067 128 L HN -0.420 7.794 8.230 0.341 0.220 0.477 129 V N -4.954 115.138 119.914 0.296 0.000 2.720 129 V HA -0.224 4.028 4.120 0.219 0.000 0.256 129 V C 0.381 176.630 176.094 0.258 0.000 1.082 129 V CA 2.391 64.860 62.300 0.282 0.000 1.101 129 V CB 0.015 32.013 31.823 0.291 0.000 0.693 129 V HN 0.119 8.397 8.190 0.353 0.124 0.479 130 V N -1.770 118.314 119.914 0.284 0.000 2.284 130 V HA -0.324 3.944 4.120 0.246 0.000 0.236 130 V C 2.331 178.561 176.094 0.227 0.000 1.044 130 V CA 2.445 64.899 62.300 0.256 0.000 1.019 130 V CB 0.257 32.266 31.823 0.310 0.000 0.657 130 V HN -0.682 7.665 8.190 0.320 0.034 0.465 131 L N -1.155 120.167 121.223 0.165 0.000 2.189 131 L HA -0.329 4.075 4.340 0.106 0.000 0.214 131 L C 1.878 178.902 176.870 0.256 0.000 1.097 131 L CA 2.457 57.374 54.840 0.128 0.000 0.764 131 L CB -0.338 41.742 42.059 0.036 0.000 0.900 131 L HN -0.315 7.980 8.230 0.109 0.000 0.436 132 A N -4.009 119.050 122.820 0.399 0.000 2.070 132 A HA -0.202 4.222 4.320 0.174 0.000 0.220 132 A C -0.633 177.712 177.584 1.268 0.000 1.159 132 A CA 1.989 54.277 52.037 0.418 0.000 0.656 132 A CB 0.409 19.447 19.000 0.064 0.000 0.800 132 A HN -0.276 8.149 8.150 0.479 0.013 0.453 133 I N -10.105 108.460 120.570 -3.341 0.000 5.421 133 I HA -0.295 -2.842 4.170 -11.255 -0.036 0.285 133 I C -1.590 174.983 176.117 0.760 0.000 1.812 133 I CA 0.058 58.779 61.300 -4.299 0.000 2.000 133 I CB -1.748 35.098 38.000 -1.923 0.000 3.340 133 I HN -0.623 -0.824 8.210 -14.031 -0.008 0.176 134 E N -0.686 120.288 120.200 1.290 0.000 2.815 134 E HA 0.091 4.876 4.350 0.720 -0.003 0.211 134 E C -0.678 175.890 176.600 -0.053 0.000 1.004 134 E CA -0.956 55.702 56.400 0.431 0.000 1.173 134 E CB 0.406 30.204 29.700 0.164 0.000 1.163 134 E HN -0.017 8.918 8.360 1.098 0.084 0.449 135 R N 0.504 120.557 120.500 -0.746 0.000 2.089 135 R HA -0.282 4.081 4.340 -0.200 -0.143 0.222 135 R C 0.648 177.248 176.300 0.500 0.000 1.151 135 R CA 2.144 58.329 56.100 0.142 0.000 0.908 135 R CB 0.111 33.313 30.300 4.837 0.000 0.813 135 R HN -0.044 10.749 8.270 4.372 0.100 0.440 136 Y N -6.997 113.320 120.300 0.028 0.000 2.904 136 Y HA -0.361 4.222 4.550 0.068 0.008 0.466 136 Y C 1.234 177.157 175.900 0.038 0.000 1.203 136 Y CA 0.576 58.700 58.100 0.040 0.000 2.489 136 Y CB -2.546 35.923 38.460 0.015 0.000 1.237 136 Y HN -0.401 8.029 8.280 0.250 0.000 0.633 137 V N 3.875 123.939 119.914 0.249 0.000 2.008 137 V HA 0.051 4.228 4.120 0.095 0.000 0.262 137 V C -0.243 175.911 176.094 0.099 0.000 1.580 137 V CA 0.083 62.463 62.300 0.133 0.000 1.515 137 V CB -1.712 30.189 31.823 0.129 0.000 1.474 137 V HN -0.177 8.191 8.190 0.296 0.000 0.504 138 V N 1.357 121.320 119.914 0.082 0.000 3.219 138 V HA 0.511 4.778 4.120 0.039 -0.123 0.240 138 V C 0.616 176.723 176.094 0.022 0.000 1.222 138 V CA 0.834 63.154 62.300 0.033 0.000 1.181 138 V CB 1.620 33.432 31.823 -0.018 0.000 0.941 138 V HN -0.048 7.979 8.190 0.133 0.243 0.471 139 V N 2.539 122.473 119.914 0.033 0.000 3.366 139 V HA -0.182 3.928 4.120 -0.016 0.000 0.325 139 V C -0.871 175.250 176.094 0.046 0.000 1.168 139 V CA 1.554 63.866 62.300 0.021 0.000 1.348 139 V CB -2.607 29.243 31.823 0.045 0.000 1.069 139 V HN -0.280 7.954 8.190 0.074 0.000 0.416 140 C N -6.336 112.998 119.300 0.055 0.000 2.828 140 C HA 0.078 4.584 4.460 0.077 0.000 0.317 140 C C -2.357 172.671 174.990 0.064 0.000 1.702 140 C CA -1.411 57.649 59.018 0.069 0.000 0.999 140 C CB 0.049 27.827 27.740 0.064 0.000 1.964 140 C HN -0.056 8.063 8.230 0.046 0.139 0.687 141 K N -0.937 119.469 120.400 0.010 0.000 2.557 141 K HA 0.301 4.644 4.320 0.039 0.000 0.261 141 K C -2.381 174.240 176.600 0.036 0.000 0.932 141 K CA -1.909 54.394 56.287 0.026 0.000 0.829 141 K CB 0.802 33.326 32.500 0.039 0.000 1.358 141 K HN -0.591 7.621 8.250 -0.063 0.000 0.430 142 P HA -0.288 4.185 4.420 0.088 0.000 0.063 142 P C -1.389 176.004 177.300 0.156 0.000 0.923 142 P CA 1.555 64.709 63.100 0.091 0.000 0.890 142 P CB -0.524 31.220 31.700 0.074 0.000 1.625 143 M N -5.370 114.278 119.600 0.081 0.000 2.302 143 M HA -0.544 4.167 4.480 0.009 -0.226 0.200 143 M C -0.070 176.339 176.300 0.181 0.000 0.366 143 M CA 0.748 56.066 55.300 0.029 0.000 0.440 143 M CB -1.482 31.030 32.600 -0.147 0.000 1.475 143 M HN -0.374 7.912 8.290 0.036 0.026 0.905 144 S N 1.058 116.881 115.700 0.206 0.000 2.488 144 S HA -0.240 4.390 4.470 0.175 -0.055 0.246 144 S C 0.194 174.922 174.600 0.213 0.000 0.992 144 S CA 2.816 61.159 58.200 0.238 0.000 0.963 144 S CB -0.031 63.331 63.200 0.271 0.000 0.754 144 S HN 0.412 8.618 8.310 0.125 0.179 0.519 145 N N -2.676 116.155 118.700 0.217 0.000 1.885 145 N HA -0.007 4.681 4.740 -0.087 0.000 0.229 145 N C -0.791 174.810 175.510 0.151 0.000 1.411 145 N CA 0.833 53.876 53.050 -0.012 0.000 0.790 145 N CB 2.063 40.291 38.487 -0.432 0.000 1.064 145 N HN -0.686 7.812 8.380 0.297 0.059 0.492 146 F N -4.990 114.948 119.950 -0.020 0.000 2.439 146 F HA -0.352 4.282 4.527 0.011 -0.101 0.353 146 F C 0.449 176.253 175.800 0.007 0.000 0.600 146 F CA 0.910 58.906 58.000 -0.006 0.000 1.636 146 F CB -2.571 36.416 39.000 -0.021 0.000 2.155 146 F HN 0.531 9.016 8.300 0.425 0.069 0.283 147 R N -0.467 120.151 120.500 0.196 0.000 2.056 147 R HA -0.113 4.312 4.340 0.143 0.000 0.215 147 R C 0.841 177.287 176.300 0.244 0.000 1.205 147 R CA 1.262 57.480 56.100 0.197 0.000 1.020 147 R CB 0.725 31.148 30.300 0.205 0.000 0.911 147 R HN -0.342 7.889 8.270 0.188 0.153 0.451 148 F N -2.548 117.431 119.950 0.048 0.000 2.660 148 F HA 0.303 4.886 4.527 -0.004 -0.059 0.297 148 F C 0.755 176.515 175.800 -0.066 0.000 1.132 148 F CA -3.488 54.508 58.000 -0.007 0.000 1.372 148 F CB -1.055 37.941 39.000 -0.006 0.000 1.003 148 F HN -0.381 8.110 8.300 0.318 -0.000 0.524 149 G N 2.799 111.692 108.800 0.156 0.000 2.954 149 G HA2 -0.475 3.450 3.960 -0.098 0.000 0.200 149 G HA3 -0.475 3.530 3.960 0.035 -0.024 0.200 149 G C 0.728 175.640 174.900 0.019 0.000 1.186 149 G CA 1.038 46.145 45.100 0.011 0.000 0.876 149 G HN 0.389 8.828 8.290 0.249 -0.000 0.528 150 E N 0.742 120.961 120.200 0.032 0.000 2.219 150 E HA -0.387 3.982 4.350 0.031 0.000 0.198 150 E C 0.106 176.662 176.600 -0.074 0.000 0.998 150 E CA 1.884 58.281 56.400 -0.006 0.000 0.818 150 E CB 0.338 30.032 29.700 -0.010 0.000 0.741 150 E HN -0.577 7.777 8.360 0.106 0.070 0.477 151 N N -2.687 115.881 118.700 -0.220 0.000 4.931 151 N HA -0.426 3.882 4.740 -0.736 -0.009 0.352 151 N C -0.154 175.119 175.510 -0.395 0.000 1.387 151 N CA 1.317 54.117 53.050 -0.416 0.000 2.854 151 N CB -0.332 38.084 38.487 -0.117 0.000 0.453 151 N HN 0.186 8.311 8.380 -0.247 0.107 0.814 152 H N -2.759 115.965 119.070 -0.578 0.000 2.454 152 H HA -0.462 3.616 4.556 -0.760 0.022 0.327 152 H C -1.790 173.219 175.328 -0.532 0.000 0.983 152 H CA 1.595 57.255 56.048 -0.645 0.000 1.129 152 H CB -1.594 27.762 29.762 -0.677 0.000 1.459 152 H HN 0.606 8.482 8.280 -0.673 0.000 0.387 153 A N -4.497 118.198 122.820 -0.209 0.000 2.212 153 A HA 0.070 4.260 4.320 -0.300 -0.051 0.169 153 A C 0.282 177.729 177.584 -0.228 0.000 1.802 153 A CA 0.451 52.407 52.037 -0.136 0.000 1.344 153 A CB 1.096 20.190 19.000 0.157 0.000 1.566 153 A HN -0.530 7.629 8.150 -0.296 -0.186 0.419 154 I N 1.147 121.630 120.570 -0.144 0.000 2.076 154 I HA -0.457 3.547 4.170 -0.277 0.000 0.237 154 I C 1.497 177.388 176.117 -0.377 0.000 1.059 154 I CA 2.730 63.888 61.300 -0.238 0.000 1.317 154 I CB -0.190 37.725 38.000 -0.142 0.000 1.037 154 I HN -0.232 7.907 8.210 -0.119 0.000 0.398 155 M N -1.600 117.762 119.600 -0.396 0.000 2.630 155 M HA -0.174 4.054 4.480 -0.420 0.000 0.254 155 M C 0.233 176.062 176.300 -0.785 0.000 1.092 155 M CA 2.040 57.046 55.300 -0.490 0.000 1.087 155 M CB -0.114 32.239 32.600 -0.412 0.000 1.453 155 M HN -0.807 7.283 8.290 -0.343 -0.006 0.509 156 G N -4.136 104.173 108.800 -0.819 0.000 2.712 156 G HA2 -0.012 3.256 3.960 -1.221 0.000 0.212 156 G HA3 -0.012 3.738 3.960 -0.536 -0.111 0.212 156 G C 0.652 175.196 174.900 -0.592 0.000 1.142 156 G CA 0.532 45.160 45.100 -0.787 0.000 0.789 156 G HN 0.003 7.938 8.290 -0.578 0.008 0.535 157 V N 3.253 122.758 119.914 -0.681 0.000 2.626 157 V HA -0.271 3.409 4.120 -0.733 0.000 0.252 157 V C 0.915 176.434 176.094 -0.958 0.000 1.067 157 V CA 2.629 64.495 62.300 -0.724 0.000 1.081 157 V CB -0.297 31.161 31.823 -0.608 0.000 0.686 157 V HN 0.143 7.726 8.190 -0.641 0.223 0.468 158 A N -0.870 121.369 122.820 -0.968 0.000 2.195 158 A HA 0.041 2.936 4.320 -2.374 0.000 0.210 158 A C 1.836 179.013 177.584 -0.678 0.000 1.165 158 A CA 2.233 53.496 52.037 -1.290 0.000 0.806 158 A CB -0.861 17.634 19.000 -0.841 0.000 0.847 158 A HN -0.614 7.004 8.150 -0.729 0.095 0.482 159 F N -2.559 117.056 119.950 -0.558 0.000 2.407 159 F HA -0.080 4.283 4.527 -0.274 0.000 0.299 159 F C 1.404 176.960 175.800 -0.406 0.000 1.097 159 F CA -0.201 57.601 58.000 -0.329 0.000 1.422 159 F CB -1.383 37.573 39.000 -0.073 0.000 1.067 159 F HN -0.018 7.846 8.300 -0.492 0.141 0.539 160 T N 2.198 116.426 114.554 -0.542 0.000 2.735 160 T HA -0.123 3.487 4.350 -1.234 0.000 0.256 160 T C 2.079 176.604 174.700 -0.292 0.000 1.042 160 T CA 5.182 66.849 62.100 -0.723 0.000 1.147 160 T CB 0.258 68.703 68.868 -0.705 0.000 0.865 160 T HN 0.490 8.183 8.240 -0.569 0.206 0.421 161 W N 0.078 121.294 121.300 -0.140 0.000 2.721 161 W HA -0.079 4.603 4.660 -0.050 -0.053 0.245 161 W C 0.852 177.369 176.519 -0.004 0.000 1.276 161 W CA 1.347 58.657 57.345 -0.059 0.000 1.342 161 W CB -1.554 27.876 29.460 -0.050 0.000 1.135 161 W HN -0.475 7.306 8.180 -0.665 0.000 0.654 162 V N 1.509 121.382 119.914 -0.069 0.000 2.490 162 V HA -0.350 3.855 4.120 0.142 0.000 0.250 162 V C 0.580 176.747 176.094 0.122 0.000 1.061 162 V CA 3.089 65.419 62.300 0.049 0.000 1.064 162 V CB -0.180 31.622 31.823 -0.034 0.000 0.670 162 V HN -0.829 7.091 8.190 -0.473 -0.014 0.461 163 M N -3.958 115.751 119.600 0.181 0.000 2.866 163 M HA 0.076 4.665 4.480 0.234 0.031 0.319 163 M C -1.413 175.028 176.300 0.235 0.000 1.244 163 M CA -1.232 54.242 55.300 0.290 0.000 0.974 163 M CB -1.769 31.175 32.600 0.573 0.000 1.291 163 M HN -0.289 7.924 8.290 0.111 0.144 0.513 164 A N -0.721 122.199 122.820 0.166 0.000 2.530 164 A HA 0.150 4.512 4.320 0.070 0.000 0.214 164 A C 0.238 177.876 177.584 0.091 0.000 1.352 164 A CA 1.330 53.437 52.037 0.117 0.000 1.035 164 A CB 0.930 20.012 19.000 0.137 0.000 1.296 164 A HN -0.489 7.535 8.150 0.180 0.234 0.563 165 L N -1.156 120.150 121.223 0.138 0.000 2.477 165 L HA 0.077 4.448 4.340 0.051 0.000 0.220 165 L C -0.076 176.837 176.870 0.071 0.000 1.106 165 L CA 1.277 56.175 54.840 0.095 0.000 0.851 165 L CB 0.712 42.854 42.059 0.138 0.000 0.994 165 L HN 0.362 8.608 8.230 0.189 0.097 0.462 166 A N -2.787 120.094 122.820 0.102 0.000 2.430 166 A HA 0.214 4.645 4.320 0.067 -0.071 0.243 166 A C -0.407 177.249 177.584 0.120 0.000 1.254 166 A CA 0.946 53.045 52.037 0.104 0.000 0.914 166 A CB -0.486 18.580 19.000 0.110 0.000 0.998 166 A HN -0.149 8.009 8.150 0.133 0.072 0.515 167 C N -2.206 117.145 119.300 0.085 0.000 2.742 167 C HA 0.109 4.552 4.460 -0.027 0.000 0.283 167 C C -0.596 174.321 174.990 -0.122 0.000 1.451 167 C CA -0.949 58.062 59.018 -0.012 0.000 1.785 167 C CB -0.174 27.559 27.740 -0.011 0.000 2.664 167 C HN -0.228 7.981 8.230 0.096 0.079 0.544 168 A N -0.096 122.680 122.820 -0.073 0.000 1.993 168 A HA 0.045 4.244 4.320 -0.201 0.000 0.207 168 A C 0.803 178.323 177.584 -0.106 0.000 1.224 168 A CA 1.191 53.160 52.037 -0.114 0.000 0.749 168 A CB 0.283 19.250 19.000 -0.056 0.000 0.884 168 A HN -0.438 7.590 8.150 -0.011 0.114 0.467 169 A N -0.664 122.124 122.820 -0.053 0.000 1.845 169 A HA -0.082 4.201 4.320 -0.061 0.000 0.215 169 A C -1.244 176.267 177.584 -0.121 0.000 1.195 169 A CA 4.328 56.329 52.037 -0.060 0.000 0.616 169 A CB -2.570 16.422 19.000 -0.013 0.000 0.832 169 A HN 0.429 8.441 8.150 -0.017 0.127 0.443 170 P HA 0.080 4.355 4.420 -0.242 0.000 0.195 170 P C -1.755 175.404 177.300 -0.236 0.000 1.086 170 P CA 1.621 64.583 63.100 -0.229 0.000 0.798 170 P CB -2.319 29.171 31.700 -0.350 0.000 0.679 171 P HA -0.383 3.862 4.420 -0.291 0.000 0.275 171 P C 1.533 178.613 177.300 -0.366 0.000 0.806 171 P CA 3.193 66.126 63.100 -0.277 0.000 0.972 171 P CB -0.828 30.728 31.700 -0.240 0.000 0.878 172 L N -4.143 116.847 121.223 -0.389 0.000 2.131 172 L HA -0.194 3.505 4.340 -1.069 0.000 0.206 172 L C 1.882 178.248 176.870 -0.839 0.000 1.087 172 L CA 2.762 57.221 54.840 -0.635 0.000 0.767 172 L CB 0.184 42.149 42.059 -0.156 0.000 0.917 172 L HN 0.231 8.215 8.230 -0.303 0.064 0.441 173 V N -3.329 116.320 119.914 -0.442 0.000 3.415 173 V HA 0.042 3.890 4.120 -0.378 0.046 0.325 173 V C 0.176 176.097 176.094 -0.289 0.000 1.313 173 V CA 0.129 62.226 62.300 -0.339 0.000 1.228 173 V CB -2.262 29.427 31.823 -0.223 0.000 1.131 173 V HN 0.462 8.379 8.190 -0.330 0.075 0.433 174 G N 0.167 108.775 108.800 -0.320 0.000 2.564 174 G HA2 0.056 3.925 3.960 -0.151 0.000 0.212 174 G HA3 0.056 3.989 3.960 -0.218 -0.104 0.212 174 G C 1.673 176.492 174.900 -0.134 0.000 1.199 174 G CA 1.000 45.978 45.100 -0.204 0.000 0.832 174 G HN -0.025 7.884 8.290 -0.396 0.143 0.565 175 W N 4.337 125.673 121.300 0.060 0.000 2.318 175 W HA -0.270 4.591 4.660 0.158 -0.107 0.313 175 W C -0.710 175.895 176.519 0.143 0.000 1.221 175 W CA 0.354 57.771 57.345 0.120 0.000 1.266 175 W CB -0.364 29.162 29.460 0.110 0.000 1.150 175 W HN 0.275 8.052 8.180 -0.494 0.107 0.496 176 S N -1.522 113.877 115.700 -0.501 0.000 2.618 176 S HA 0.113 4.638 4.470 0.027 -0.039 0.242 176 S C 0.760 175.197 174.600 -0.273 0.000 0.972 176 S CA 0.318 58.378 58.200 -0.233 0.000 1.004 176 S CB -0.933 62.156 63.200 -0.186 0.000 0.778 176 S HN 0.084 7.678 8.310 -1.033 0.096 0.459 177 R N 1.000 121.391 120.500 -0.180 0.000 2.115 177 R HA -0.179 4.049 4.340 -0.188 0.000 0.226 177 R C -0.779 175.474 176.300 -0.079 0.000 1.100 177 R CA 1.315 57.332 56.100 -0.139 0.000 0.980 177 R CB 1.192 31.446 30.300 -0.076 0.000 0.875 177 R HN -0.247 7.696 8.270 -0.142 0.242 0.445 178 Y N -1.980 118.407 120.300 0.145 0.000 2.861 178 Y HA -0.356 4.543 4.550 0.235 -0.208 0.025 178 Y C -1.316 174.759 175.900 0.292 0.000 2.275 178 Y CA 0.597 58.834 58.100 0.229 0.000 1.193 178 Y CB -1.699 36.889 38.460 0.214 0.000 1.900 178 Y HN -0.271 7.867 8.280 0.084 0.192 0.276 179 I N -3.925 116.927 120.570 0.470 0.000 5.852 179 I HA -0.366 4.049 4.170 0.223 -0.112 0.126 179 I C -2.158 174.181 176.117 0.370 0.000 1.818 179 I CA 0.655 62.122 61.300 0.278 0.000 2.038 179 I CB -3.000 35.033 38.000 0.055 0.000 3.400 179 I HN -0.182 8.375 8.210 0.521 -0.034 0.169 180 P HA -0.457 4.299 4.420 0.560 0.000 0.241 180 P C 0.941 178.448 177.300 0.346 0.000 0.633 180 P CA 2.902 66.262 63.100 0.434 0.000 1.133 180 P CB -0.790 31.086 31.700 0.293 0.000 0.623 181 E N 0.632 121.030 120.200 0.330 0.000 2.381 181 E HA -0.179 4.312 4.350 0.236 0.000 0.198 181 E C 0.320 176.965 176.600 0.075 0.000 1.204 181 E CA -0.991 55.541 56.400 0.219 0.000 0.998 181 E CB -1.779 28.064 29.700 0.239 0.000 1.080 181 E HN 0.281 8.881 8.360 0.368 -0.020 0.481 182 G N -0.626 108.213 108.800 0.065 0.000 2.648 182 G HA2 0.005 4.003 3.960 -0.020 0.000 0.217 182 G HA3 0.005 3.924 3.960 -0.068 0.000 0.217 182 G C -0.186 174.566 174.900 -0.247 0.000 1.386 182 G CA 1.142 46.196 45.100 -0.077 0.000 0.920 182 G HN 0.214 8.476 8.290 0.088 0.081 0.540 183 M N -0.279 118.966 119.600 -0.591 0.000 3.690 183 M HA 0.148 4.550 4.480 -0.216 -0.051 0.209 183 M C -1.765 174.421 176.300 -0.191 0.000 1.403 183 M CA 0.673 55.752 55.300 -0.367 0.000 1.621 183 M CB -1.976 30.407 32.600 -0.361 0.000 1.056 183 M HN 0.044 7.703 8.290 -1.053 0.000 0.593 184 Q N -0.897 118.850 119.800 -0.088 0.000 2.379 184 Q HA 0.205 4.431 4.340 -0.008 0.109 0.184 184 Q C 1.302 177.282 176.000 -0.033 0.000 0.663 184 Q CA 0.966 56.777 55.803 0.013 0.000 0.870 184 Q CB 3.683 32.525 28.738 0.173 0.000 1.238 184 Q HN -0.026 8.113 8.270 -0.102 0.070 0.475 185 C N -0.458 118.805 119.300 -0.062 0.000 2.505 185 C HA -0.107 4.247 4.460 -0.176 0.000 0.279 185 C C 1.677 176.615 174.990 -0.086 0.000 1.316 185 C CA 2.404 61.349 59.018 -0.122 0.000 1.720 185 C CB 0.233 27.889 27.740 -0.140 0.000 2.050 185 C HN 0.686 9.302 8.230 -0.031 -0.404 0.493 186 S N 0.963 116.616 115.700 -0.077 0.000 2.524 186 S HA -0.073 4.356 4.470 -0.069 0.000 0.216 186 S C 0.093 174.661 174.600 -0.052 0.000 0.987 186 S CA 1.930 60.089 58.200 -0.068 0.000 0.909 186 S CB -0.389 62.770 63.200 -0.069 0.000 0.781 186 S HN 0.082 8.343 8.310 -0.082 0.000 0.521 187 c N 2.528 121.101 118.600 -0.044 0.000 2.669 187 c HA 0.049 4.723 4.570 -0.083 -0.154 0.380 187 c C 0.662 174.708 174.090 -0.074 0.000 1.145 187 c CA -0.115 56.177 56.329 -0.061 0.000 1.349 187 c CB -3.531 38.963 42.510 -0.026 0.000 1.941 187 c HN 0.019 8.230 8.230 -0.032 0.000 0.559 188 G N 7.638 116.376 108.800 -0.104 0.000 3.454 188 G HA2 0.345 4.273 3.960 -0.053 0.000 0.162 188 G HA3 0.345 4.273 3.960 -0.053 0.000 0.162 188 G C -2.928 171.932 174.900 -0.068 0.000 1.223 188 G CA 0.395 45.453 45.100 -0.070 0.000 1.394 188 G HN 0.610 8.712 8.290 -0.131 0.109 0.709 189 I N -4.899 115.651 120.570 -0.034 0.000 3.244 189 I HA 0.222 4.429 4.170 0.061 0.000 0.314 189 I C -1.692 174.410 176.117 -0.026 0.000 1.342 189 I CA -1.289 60.021 61.300 0.016 0.000 0.925 189 I CB 3.190 41.214 38.000 0.041 0.000 1.321 189 I HN -0.333 7.849 8.210 -0.047 0.000 0.500 190 D N -2.265 118.096 120.400 -0.064 0.000 2.881 190 D HA 0.089 4.758 4.640 0.050 0.000 0.325 190 D C -0.667 175.594 176.300 -0.065 0.000 1.621 190 D CA 0.014 53.981 54.000 -0.054 0.000 0.785 190 D CB -0.791 39.961 40.800 -0.080 0.000 1.233 190 D HN -0.142 8.130 8.370 -0.163 0.000 0.447 191 Y N -3.059 117.332 120.300 0.151 0.000 2.337 191 Y HA -0.114 4.556 4.550 0.156 -0.027 0.293 191 Y C -0.307 175.660 175.900 0.112 0.000 1.123 191 Y CA -0.474 57.711 58.100 0.143 0.000 1.201 191 Y CB -0.355 38.184 38.460 0.133 0.000 1.011 191 Y HN 0.019 8.258 8.280 0.094 0.097 0.545 192 Y N 0.636 121.007 120.300 0.119 0.000 2.683 192 Y HA 0.332 5.074 4.550 -0.004 -0.194 0.297 192 Y C -0.391 175.495 175.900 -0.024 0.000 1.147 192 Y CA -0.415 57.699 58.100 0.023 0.000 1.274 192 Y CB -0.137 38.348 38.460 0.041 0.000 1.143 192 Y HN -0.166 8.307 8.280 0.359 0.021 0.527 193 T N -5.064 109.584 114.554 0.155 0.000 3.051 193 T HA 0.404 4.764 4.350 -0.031 -0.029 0.254 193 T C -2.224 172.489 174.700 0.022 0.000 0.916 193 T CA -0.441 61.691 62.100 0.054 0.000 0.894 193 T CB 0.121 69.027 68.868 0.063 0.000 1.251 193 T HN -0.107 8.179 8.240 0.177 0.060 0.517 194 P HA 0.083 4.381 4.420 -0.204 0.000 0.212 194 P C -1.774 175.723 177.300 0.329 0.000 1.816 194 P CA -0.033 63.105 63.100 0.063 0.000 0.944 194 P CB -1.466 30.300 31.700 0.110 0.000 1.896 195 H N -0.748 118.382 119.070 0.100 0.000 3.287 195 H HA 0.168 4.855 4.556 0.025 -0.116 0.330 195 H C -1.011 174.292 175.328 -0.042 0.000 1.064 195 H CA 0.145 56.198 56.048 0.009 0.000 1.544 195 H CB 2.537 32.276 29.762 -0.037 0.000 1.918 195 H HN 0.352 8.636 8.280 0.251 0.146 0.477 196 E N 5.188 125.355 120.200 -0.056 0.000 2.365 196 E HA -0.029 4.209 4.350 -0.187 0.000 0.188 196 E C -1.225 175.295 176.600 -0.135 0.000 1.102 196 E CA -0.170 56.106 56.400 -0.207 0.000 0.927 196 E CB 0.284 29.670 29.700 -0.524 0.000 1.073 196 E HN 0.791 8.991 8.360 -0.087 0.107 0.467 197 E N -4.075 116.116 120.200 -0.016 0.000 3.083 197 E HA 0.147 4.585 4.350 -0.032 -0.107 0.168 197 E C -0.938 175.685 176.600 0.038 0.000 0.934 197 E CA -0.178 56.227 56.400 0.008 0.000 1.361 197 E CB -1.256 28.463 29.700 0.031 0.000 1.032 197 E HN -0.089 8.240 8.360 0.034 0.052 0.447 198 T N 1.378 115.946 114.554 0.024 0.000 2.851 198 T HA -0.168 4.175 4.350 -0.013 0.000 0.262 198 T C 0.901 175.576 174.700 -0.042 0.000 1.043 198 T CA 3.099 65.191 62.100 -0.014 0.000 1.140 198 T CB 0.580 69.432 68.868 -0.026 0.000 0.872 198 T HN -0.362 7.819 8.240 0.034 0.079 0.446 199 N N 0.413 119.073 118.700 -0.067 0.000 2.336 199 N HA -0.093 4.643 4.740 -0.005 0.000 0.177 199 N C 1.549 177.031 175.510 -0.047 0.000 1.018 199 N CA 2.654 55.680 53.050 -0.040 0.000 0.878 199 N CB 0.383 38.856 38.487 -0.023 0.000 0.997 199 N HN -0.645 7.714 8.380 -0.056 -0.013 0.433 200 N N 0.805 119.398 118.700 -0.177 0.000 2.188 200 N HA -0.276 4.074 4.740 -0.651 0.000 0.184 200 N C 1.253 176.563 175.510 -0.333 0.000 1.018 200 N CA 3.399 56.275 53.050 -0.289 0.000 0.858 200 N CB 0.112 38.559 38.487 -0.068 0.000 0.989 200 N HN 0.417 8.543 8.380 -0.192 0.139 0.426 201 E N -1.456 118.652 120.200 -0.154 0.000 2.511 201 E HA -0.079 4.212 4.350 -0.099 0.000 0.196 201 E C -0.853 175.691 176.600 -0.094 0.000 1.066 201 E CA 0.865 57.211 56.400 -0.090 0.000 0.871 201 E CB 0.068 29.761 29.700 -0.013 0.000 0.863 201 E HN -0.467 7.824 8.360 -0.114 0.000 0.520 202 S N -2.235 113.384 115.700 -0.135 0.000 2.708 202 S HA 0.147 4.602 4.470 -0.067 -0.025 0.141 202 S C -1.433 173.156 174.600 -0.019 0.000 1.349 202 S CA 0.366 58.545 58.200 -0.033 0.000 1.206 202 S CB -0.607 62.656 63.200 0.105 0.000 1.603 202 S HN 0.019 8.004 8.310 -0.135 0.244 0.415 203 F N -2.177 117.769 119.950 -0.007 0.000 2.925 203 F HA 0.456 5.112 4.527 0.108 -0.064 0.359 203 F C -1.665 174.008 175.800 -0.212 0.000 1.038 203 F CA -0.313 57.671 58.000 -0.027 0.000 1.130 203 F CB 1.515 40.496 39.000 -0.033 0.000 1.093 203 F HN 0.170 7.812 8.300 -1.098 0.000 0.561 204 V N 0.561 119.814 119.914 -1.102 0.000 3.110 204 V HA 0.093 3.548 4.120 -1.108 0.000 0.368 204 V C -0.848 174.992 176.094 -0.422 0.000 1.332 204 V CA 0.302 62.146 62.300 -0.760 0.000 1.287 204 V CB -0.904 30.667 31.823 -0.419 0.000 1.277 204 V HN -0.025 7.303 8.190 -1.277 0.096 0.502 205 I N 0.169 120.550 120.570 -0.315 0.000 2.796 205 I HA 0.047 3.832 4.170 -0.642 0.000 0.277 205 I C -2.597 173.448 176.117 -0.120 0.000 1.331 205 I CA -0.448 60.669 61.300 -0.306 0.000 0.983 205 I CB -0.222 37.708 38.000 -0.116 0.000 1.410 205 I HN -0.340 7.715 8.210 -0.158 0.061 0.561 206 Y N 5.204 125.382 120.300 -0.204 0.000 2.820 206 Y HA 0.133 4.671 4.550 -0.020 0.000 0.261 206 Y C -0.816 175.092 175.900 0.014 0.000 1.123 206 Y CA 1.406 59.484 58.100 -0.036 0.000 1.217 206 Y CB 4.097 42.573 38.460 0.028 0.000 1.432 206 Y HN 0.110 8.262 8.280 -0.259 -0.028 0.461 207 M N -1.132 118.545 119.600 0.127 0.000 3.170 207 M HA 0.142 4.664 4.480 0.070 0.000 0.263 207 M C -0.736 175.533 176.300 -0.051 0.000 1.153 207 M CA -0.888 54.429 55.300 0.029 0.000 0.949 207 M CB -0.501 32.051 32.600 -0.080 0.000 1.291 207 M HN -0.178 8.069 8.290 0.107 0.107 0.550 208 F N 0.056 119.993 119.950 -0.022 0.000 2.258 208 F HA 0.127 4.677 4.527 0.039 0.000 0.262 208 F C 1.933 177.692 175.800 -0.068 0.000 1.124 208 F CA -0.308 57.676 58.000 -0.027 0.000 1.069 208 F CB -0.923 38.031 39.000 -0.075 0.000 1.081 208 F HN -0.649 6.836 8.300 -1.357 0.000 0.555 209 V N -1.933 117.989 119.914 0.013 0.000 0.523 209 V HA -0.524 3.552 4.120 -0.073 0.000 0.092 209 V C -0.358 175.674 176.094 -0.104 0.000 2.217 209 V CA 2.454 64.664 62.300 -0.150 0.000 3.561 209 V CB -0.114 31.403 31.823 -0.509 0.000 0.853 209 V HN 0.065 8.281 8.190 0.044 0.000 0.890 210 V N -6.675 113.197 119.914 -0.070 0.000 3.473 210 V HA 0.261 4.326 4.120 -0.092 0.000 0.253 210 V C 1.454 177.549 176.094 0.001 0.000 1.340 210 V CA 1.600 63.857 62.300 -0.072 0.000 1.103 210 V CB 1.224 32.964 31.823 -0.138 0.000 0.881 210 V HN -0.194 7.903 8.190 -0.033 0.074 0.451 211 H N 2.986 122.058 119.070 0.004 0.000 2.521 211 H HA -0.097 4.388 4.556 -0.118 0.000 0.286 211 H C -0.126 175.244 175.328 0.069 0.000 1.034 211 H CA 3.174 59.219 56.048 -0.005 0.000 1.278 211 H CB 0.714 30.511 29.762 0.058 0.000 1.386 211 H HN 0.290 8.646 8.280 0.261 0.081 0.567 212 F N -3.555 116.446 119.950 0.084 0.000 2.697 212 F HA 0.020 4.528 4.527 -0.032 0.000 0.367 212 F C -1.610 174.107 175.800 -0.138 0.000 1.300 212 F CA -0.618 57.357 58.000 -0.041 0.000 1.121 212 F CB 0.377 39.337 39.000 -0.066 0.000 1.188 212 F HN -0.356 8.127 8.300 0.349 0.027 0.511 213 I N 0.685 121.201 120.570 -0.091 0.000 2.731 213 I HA -0.022 4.069 4.170 -0.131 0.000 0.235 213 I C 1.113 177.096 176.117 -0.222 0.000 1.064 213 I CA 0.919 62.137 61.300 -0.137 0.000 1.439 213 I CB 0.383 38.333 38.000 -0.083 0.000 1.255 213 I HN 0.091 8.133 8.210 -0.040 0.144 0.446 214 I N -7.355 113.070 120.570 -0.241 0.000 3.686 214 I HA 0.199 4.246 4.170 -0.288 -0.049 0.308 214 I C -1.835 174.047 176.117 -0.392 0.000 1.254 214 I CA 0.768 61.891 61.300 -0.294 0.000 1.175 214 I CB -1.283 36.555 38.000 -0.269 0.000 1.009 214 I HN -0.589 7.468 8.210 -0.255 0.000 0.459 215 P HA 0.337 4.478 4.420 -0.504 -0.023 0.394 215 P C -0.989 175.910 177.300 -0.669 0.000 1.213 215 P CA -1.092 61.711 63.100 -0.495 0.000 1.342 215 P CB 0.280 31.741 31.700 -0.398 0.000 2.449 216 L N 0.123 120.911 121.223 -0.725 0.000 4.060 216 L HA -0.555 3.502 4.340 -0.472 -0.001 0.053 216 L C -0.541 176.098 176.870 -0.385 0.000 4.128 216 L CA 3.150 57.661 54.840 -0.548 0.000 0.832 216 L CB -1.073 40.667 42.059 -0.532 0.000 3.418 216 L HN 1.032 8.670 8.230 -0.740 0.148 0.958 217 I N -0.733 119.619 120.570 -0.364 0.000 3.059 217 I HA -0.178 3.789 4.170 -0.339 0.000 0.270 217 I C 2.059 177.758 176.117 -0.696 0.000 1.238 217 I CA 2.281 63.345 61.300 -0.394 0.000 1.478 217 I CB -0.366 37.476 38.000 -0.263 0.000 1.097 217 I HN -0.031 8.036 8.210 -0.299 -0.036 0.455 218 V N 0.763 120.290 119.914 -0.645 0.000 2.273 218 V HA -0.282 3.352 4.120 -0.810 0.000 0.242 218 V C 0.837 176.515 176.094 -0.693 0.000 1.035 218 V CA 3.932 65.828 62.300 -0.673 0.000 1.013 218 V CB 0.578 32.165 31.823 -0.393 0.000 0.652 218 V HN 0.364 8.141 8.190 -0.492 0.118 0.452 219 I N -5.870 114.373 120.570 -0.546 0.000 5.636 219 I HA -0.527 3.201 4.170 -0.737 0.000 0.161 219 I C -0.143 175.300 176.117 -1.123 0.000 1.815 219 I CA 0.927 61.831 61.300 -0.661 0.000 2.037 219 I CB -2.373 35.410 38.000 -0.361 0.000 3.369 219 I HN -0.577 7.401 8.210 -0.486 -0.060 0.170 220 F N 2.399 121.627 119.950 -1.203 0.000 1.992 220 F HA -0.251 3.008 4.527 -2.114 0.000 0.292 220 F C 0.655 176.071 175.800 -0.640 0.000 1.192 220 F CA 5.235 62.558 58.000 -1.129 0.000 1.157 220 F CB 0.455 39.135 39.000 -0.533 0.000 0.981 220 F HN 0.294 7.998 8.300 -0.833 0.096 0.483 221 F N -4.975 114.987 119.950 0.020 0.000 2.759 221 F HA 0.232 5.080 4.527 0.333 -0.121 0.322 221 F C -1.132 174.720 175.800 0.087 0.000 1.199 221 F CA -2.673 55.426 58.000 0.165 0.000 1.272 221 F CB -2.341 36.752 39.000 0.156 0.000 1.467 221 F HN -0.529 7.123 8.300 -1.040 0.025 0.561 222 C N 2.137 121.566 119.300 0.215 0.000 2.751 222 C HA 0.213 4.943 4.460 0.271 -0.107 0.248 222 C C -0.971 174.086 174.990 0.111 0.000 1.710 222 C CA -1.071 58.057 59.018 0.184 0.000 1.676 222 C CB 0.287 28.113 27.740 0.143 0.000 3.106 222 C HN 0.593 8.739 8.230 0.118 0.155 0.502 223 Y N -0.277 119.915 120.300 -0.181 0.000 2.471 223 Y HA 0.008 4.307 4.550 -0.472 -0.032 0.286 223 Y C 0.371 176.139 175.900 -0.220 0.000 1.188 223 Y CA -1.848 55.960 58.100 -0.486 0.000 1.286 223 Y CB -1.124 36.671 38.460 -1.108 0.000 1.072 223 Y HN 0.255 8.459 8.280 0.114 0.144 0.517 224 G N -4.028 105.002 108.800 0.384 0.000 2.777 224 G HA2 -0.065 4.133 3.960 0.397 0.000 0.211 224 G HA3 -0.065 4.137 3.960 0.404 0.000 0.211 224 G C 0.432 175.506 174.900 0.291 0.000 1.149 224 G CA -0.289 45.040 45.100 0.381 0.000 0.785 224 G HN 0.172 8.490 8.290 0.313 0.160 0.536 225 Q N -0.639 119.278 119.800 0.194 0.000 2.387 225 Q HA -0.099 4.416 4.340 0.293 0.000 0.211 225 Q C -0.536 175.502 176.000 0.063 0.000 0.952 225 Q CA 0.703 56.600 55.803 0.156 0.000 0.957 225 Q CB 0.194 28.996 28.738 0.107 0.000 1.002 225 Q HN -0.596 7.794 8.270 0.195 -0.003 0.502 226 L N -3.735 117.517 121.223 0.048 0.000 3.083 226 L HA 0.368 4.846 4.340 0.067 -0.097 0.286 226 L C -1.392 175.541 176.870 0.104 0.000 1.307 226 L CA -0.244 54.611 54.840 0.025 0.000 0.897 226 L CB 0.147 42.128 42.059 -0.130 0.000 1.306 226 L HN -0.663 7.503 8.230 0.065 0.103 0.569 227 V N -1.612 118.381 119.914 0.133 0.000 3.968 227 V HA 0.096 4.330 4.120 0.001 -0.113 0.298 227 V C -2.076 173.914 176.094 -0.173 0.000 1.699 227 V CA 0.323 62.637 62.300 0.024 0.000 1.282 227 V CB 0.881 32.732 31.823 0.046 0.000 0.994 227 V HN -0.583 7.691 8.190 0.159 0.012 0.402 228 F N 1.485 121.473 119.950 0.063 0.000 2.913 228 F HA 0.264 5.205 4.527 0.047 -0.386 0.306 228 F C -0.667 175.173 175.800 0.068 0.000 1.205 228 F CA 1.116 59.149 58.000 0.055 0.000 1.359 228 F CB -1.608 37.422 39.000 0.050 0.000 1.260 228 F HN 0.553 8.916 8.300 0.318 0.127 0.545 229 T N -2.317 112.315 114.554 0.129 0.000 3.073 229 T HA 0.082 4.563 4.350 0.126 -0.055 0.264 229 T C 0.531 175.264 174.700 0.056 0.000 0.893 229 T CA 0.326 62.499 62.100 0.123 0.000 0.863 229 T CB 0.917 69.907 68.868 0.204 0.000 1.247 229 T HN -0.401 7.898 8.240 0.045 -0.032 0.546 230 V N 3.403 123.329 119.914 0.020 0.000 2.809 230 V HA -0.183 3.949 4.120 0.019 0.000 0.256 230 V C -0.284 175.798 176.094 -0.020 0.000 1.080 230 V CA 2.106 64.409 62.300 0.004 0.000 1.102 230 V CB -0.234 31.593 31.823 0.007 0.000 0.705 230 V HN 0.071 8.281 8.190 0.034 0.000 0.475 231 K N -1.495 118.872 120.400 -0.054 0.000 2.440 231 K HA 0.054 4.348 4.320 -0.044 0.000 0.206 231 K C -1.318 175.266 176.600 -0.027 0.000 1.025 231 K CA -0.146 56.102 56.287 -0.066 0.000 1.135 231 K CB 0.495 32.916 32.500 -0.133 0.000 0.856 231 K HN 0.037 8.204 8.250 -0.066 0.043 0.502 232 E N -2.579 117.626 120.200 0.009 0.000 3.956 232 E HA 0.148 4.589 4.350 0.045 -0.065 0.177 232 E C -1.504 175.124 176.600 0.046 0.000 1.028 232 E CA -0.170 56.261 56.400 0.053 0.000 1.463 232 E CB -0.118 29.655 29.700 0.122 0.000 1.145 232 E HN -0.305 7.822 8.360 0.006 0.237 0.423 233 A N -0.870 121.962 122.820 0.018 0.000 2.476 233 A HA 0.228 4.630 4.320 -0.001 -0.083 0.263 233 A C -1.037 176.544 177.584 -0.005 0.000 1.342 233 A CA -0.120 51.917 52.037 0.001 0.000 0.926 233 A CB -0.515 18.481 19.000 -0.005 0.000 1.019 233 A HN -0.509 7.648 8.150 0.012 0.000 0.515 234 A N -2.389 120.434 122.820 0.005 0.000 3.106 234 A HA 0.099 4.492 4.320 -0.005 -0.076 0.306 234 A C -1.094 176.507 177.584 0.028 0.000 1.192 234 A CA -0.380 51.661 52.037 0.007 0.000 0.994 234 A CB -0.356 18.646 19.000 0.005 0.000 1.107 234 A HN -0.412 7.692 8.150 0.010 0.051 0.585 235 A N -2.332 120.505 122.820 0.027 0.000 2.155 235 A HA -0.075 4.312 4.320 0.018 -0.056 0.227 235 A C -1.413 176.207 177.584 0.061 0.000 2.879 235 A CA 0.188 52.254 52.037 0.049 0.000 1.908 235 A CB -1.170 17.883 19.000 0.088 0.000 0.202 235 A HN -0.273 7.801 8.150 0.016 0.085 0.800 236 Q N -1.649 118.160 119.800 0.016 0.000 2.182 236 Q HA 0.480 4.969 4.340 -0.020 -0.160 0.305 236 Q C -0.650 175.312 176.000 -0.063 0.000 0.880 236 Q CA -1.216 54.570 55.803 -0.029 0.000 1.131 236 Q CB 0.531 29.231 28.738 -0.064 0.000 1.237 236 Q HN 0.403 8.627 8.270 0.027 0.063 0.447 237 Q N -2.055 117.716 119.800 -0.049 0.000 2.280 237 Q HA 0.066 4.395 4.340 -0.111 -0.055 0.244 237 Q C -0.383 175.572 176.000 -0.075 0.000 0.847 237 Q CA 0.855 56.614 55.803 -0.073 0.000 0.945 237 Q CB 1.674 30.379 28.738 -0.055 0.000 1.115 237 Q HN 0.020 8.383 8.270 -0.021 -0.105 0.513 238 Q N -3.855 115.915 119.800 -0.050 0.000 1.798 238 Q HA 0.126 4.509 4.340 -0.066 -0.082 0.173 238 Q C -1.830 174.150 176.000 -0.034 0.000 0.780 238 Q CA -0.442 55.333 55.803 -0.047 0.000 0.866 238 Q CB 0.477 29.192 28.738 -0.038 0.000 1.234 238 Q HN -0.433 7.818 8.270 -0.031 0.000 0.390 239 E N -2.217 117.967 120.200 -0.027 0.000 3.352 239 E HA 0.126 4.444 4.350 -0.053 0.000 0.254 239 E C -2.063 174.515 176.600 -0.037 0.000 1.229 239 E CA -0.327 56.050 56.400 -0.038 0.000 0.949 239 E CB -0.639 29.038 29.700 -0.039 0.000 1.373 239 E HN -0.449 7.897 8.360 -0.024 0.000 0.392 240 S N -3.790 111.870 115.700 -0.066 0.000 2.848 240 S HA 0.031 4.454 4.470 -0.079 0.000 0.163 240 S C -1.581 172.928 174.600 -0.152 0.000 0.810 240 S CA 0.331 58.479 58.200 -0.086 0.000 1.607 240 S CB 0.872 64.035 63.200 -0.060 0.000 1.189 240 S HN -0.089 8.143 8.310 -0.068 0.037 0.610 241 A N 1.769 124.494 122.820 -0.159 0.000 3.201 241 A HA 0.477 4.834 4.320 -0.292 -0.213 0.312 241 A C -0.751 176.750 177.584 -0.139 0.000 1.011 241 A CA -0.944 50.962 52.037 -0.217 0.000 0.987 241 A CB 0.898 19.760 19.000 -0.231 0.000 1.060 241 A HN -0.276 7.803 8.150 -0.118 0.000 0.505 242 T N -0.392 114.095 114.554 -0.112 0.000 4.724 242 T HA -0.029 4.275 4.350 -0.076 0.000 0.152 242 T C -1.592 173.069 174.700 -0.065 0.000 0.594 242 T CA 0.810 62.859 62.100 -0.086 0.000 0.858 242 T CB -0.560 68.251 68.868 -0.094 0.000 1.007 242 T HN 0.228 8.332 8.240 -0.120 0.065 0.434 243 T N 3.708 118.226 114.554 -0.061 0.000 3.483 243 T HA 0.239 4.552 4.350 -0.062 0.000 0.258 243 T C -0.709 173.969 174.700 -0.037 0.000 1.013 243 T CA -0.261 61.806 62.100 -0.055 0.000 1.078 243 T CB -0.015 68.818 68.868 -0.058 0.000 1.111 243 T HN 0.387 8.585 8.240 -0.070 0.000 0.538 244 Q N -0.998 118.785 119.800 -0.028 0.000 7.301 244 Q HA -0.418 3.913 4.340 -0.015 0.000 0.342 244 Q C -1.973 174.029 176.000 0.004 0.000 1.170 244 Q CA 2.875 58.670 55.803 -0.013 0.000 0.572 244 Q CB -1.606 27.126 28.738 -0.011 0.000 0.286 244 Q HN -0.313 7.834 8.270 -0.037 0.100 0.907 245 K N -1.253 119.155 120.400 0.014 0.000 4.310 245 K HA 0.134 4.468 4.320 0.023 0.000 0.185 245 K C -0.034 176.607 176.600 0.068 0.000 1.134 245 K CA -0.905 55.400 56.287 0.030 0.000 1.860 245 K CB 0.360 32.873 32.500 0.022 0.000 2.614 245 K HN -0.275 7.860 8.250 0.003 0.117 0.570 246 A N 1.573 124.455 122.820 0.104 0.000 3.094 246 A HA 0.232 4.713 4.320 0.223 -0.027 0.288 246 A C -1.880 176.244 177.584 0.900 0.000 1.519 246 A CA -0.601 51.596 52.037 0.266 0.000 1.227 246 A CB -0.448 18.595 19.000 0.072 0.000 1.175 246 A HN -0.158 8.023 8.150 0.051 0.000 0.568 247 E N 1.251 121.784 120.200 0.554 0.000 2.378 247 E HA 0.060 4.853 4.350 0.587 -0.091 0.283 247 E C -1.663 174.448 176.600 -0.815 0.000 0.979 247 E CA 0.402 56.786 56.400 -0.027 0.000 0.795 247 E CB 4.222 33.916 29.700 -0.010 0.000 1.221 247 E HN -0.010 8.425 8.360 0.124 0.000 0.428 248 K N 2.410 122.372 120.400 -0.730 0.000 1.723 248 K HA -0.020 4.327 4.320 -0.291 -0.202 0.129 248 K C -0.501 175.980 176.600 -0.199 0.000 2.520 248 K CA 2.257 58.261 56.287 -0.473 0.000 1.153 248 K CB 0.345 32.529 32.500 -0.528 0.000 2.797 248 K HN 0.824 8.906 8.250 -0.280 0.000 0.359 249 E N 1.346 121.535 120.200 -0.019 0.000 2.318 249 E HA -0.095 4.349 4.350 0.157 0.000 0.193 249 E C 1.659 178.490 176.600 0.386 0.000 0.998 249 E CA 1.720 58.462 56.400 0.570 0.000 0.859 249 E CB -0.425 29.814 29.700 0.900 0.000 0.812 249 E HN 0.204 7.790 8.360 -1.152 0.083 0.492 250 V N -4.496 115.812 119.914 0.657 0.000 2.329 250 V HA -0.483 3.684 4.120 0.078 0.000 0.265 250 V C 0.679 176.750 176.094 -0.038 0.000 1.119 250 V CA 3.380 65.776 62.300 0.161 0.000 1.110 250 V CB -0.972 30.881 31.823 0.050 0.000 0.735 250 V HN 0.310 9.043 8.190 0.821 -0.051 0.455 251 T N -1.256 113.279 114.554 -0.032 0.000 2.942 251 T HA -0.058 4.242 4.350 -0.082 0.000 0.265 251 T C 1.612 176.281 174.700 -0.051 0.000 1.062 251 T CA 3.461 65.525 62.100 -0.059 0.000 1.139 251 T CB 0.012 68.852 68.868 -0.046 0.000 0.883 251 T HN -0.001 8.106 8.240 -0.029 0.116 0.468 252 R N 2.436 122.909 120.500 -0.044 0.000 2.355 252 R HA -0.294 4.017 4.340 -0.048 0.000 0.219 252 R C 1.199 177.448 176.300 -0.085 0.000 1.107 252 R CA 2.063 58.120 56.100 -0.071 0.000 1.021 252 R CB -1.234 28.994 30.300 -0.120 0.000 0.852 252 R HN -0.281 7.807 8.270 -0.015 0.174 0.475 253 M N 0.063 119.604 119.600 -0.099 0.000 4.020 253 M HA -0.594 3.700 4.480 -0.203 0.065 0.289 253 M C 0.570 176.819 176.300 -0.086 0.000 0.774 253 M CA 3.999 59.204 55.300 -0.158 0.000 0.934 253 M CB 0.004 32.461 32.600 -0.239 0.000 1.503 253 M HN -0.372 7.812 8.290 -0.076 0.060 0.624 254 V N -4.525 115.366 119.914 -0.040 0.000 3.398 254 V HA 0.042 4.266 4.120 0.028 -0.088 0.298 254 V C 1.250 177.361 176.094 0.028 0.000 1.496 254 V CA -0.345 61.965 62.300 0.017 0.000 1.044 254 V CB 0.120 31.981 31.823 0.064 0.000 0.880 254 V HN 0.068 8.101 8.190 -0.059 0.122 0.443 255 I N 2.491 123.067 120.570 0.010 0.000 2.099 255 I HA -0.557 3.631 4.170 0.029 0.000 0.239 255 I C 1.485 177.621 176.117 0.032 0.000 1.066 255 I CA 4.763 66.075 61.300 0.020 0.000 1.324 255 I CB 0.086 38.091 38.000 0.008 0.000 1.037 255 I HN -0.731 7.305 8.210 -0.012 0.167 0.401 256 I N -1.757 118.827 120.570 0.023 0.000 2.193 256 I HA -0.445 3.748 4.170 0.039 0.000 0.240 256 I C 2.449 178.598 176.117 0.053 0.000 1.084 256 I CA 3.771 65.092 61.300 0.036 0.000 1.365 256 I CB 0.199 38.218 38.000 0.032 0.000 1.064 256 I HN -0.402 7.809 8.210 0.002 0.000 0.410 257 M N -2.804 116.825 119.600 0.049 0.000 2.557 257 M HA -0.155 4.381 4.480 0.094 0.000 0.259 257 M C 0.894 177.266 176.300 0.121 0.000 1.086 257 M CA 1.604 56.952 55.300 0.080 0.000 1.096 257 M CB -0.587 32.054 32.600 0.067 0.000 1.424 257 M HN 0.025 8.231 8.290 0.020 0.096 0.488 258 V N -8.079 111.905 119.914 0.117 0.000 2.988 258 V HA 0.337 4.779 4.120 0.290 -0.148 0.356 258 V C -1.468 174.744 176.094 0.196 0.000 1.380 258 V CA -1.102 61.321 62.300 0.205 0.000 1.184 258 V CB -0.348 31.579 31.823 0.173 0.000 1.204 258 V HN -0.731 7.388 8.190 0.086 0.122 0.530 259 I N 0.771 121.408 120.570 0.111 0.000 2.682 259 I HA 0.123 4.422 4.170 0.064 -0.090 0.302 259 I C -0.972 175.167 176.117 0.036 0.000 1.180 259 I CA -0.196 61.141 61.300 0.062 0.000 1.146 259 I CB -1.257 36.756 38.000 0.021 0.000 1.756 259 I HN -0.174 7.938 8.210 0.090 0.152 0.559 260 A N 1.360 124.242 122.820 0.104 0.000 2.442 260 A HA 0.101 4.438 4.320 0.029 0.000 0.158 260 A C -0.683 177.060 177.584 0.264 0.000 1.759 260 A CA 0.069 52.175 52.037 0.115 0.000 1.304 260 A CB 0.832 19.902 19.000 0.117 0.000 1.570 260 A HN -0.459 7.914 8.150 0.093 -0.167 0.440 261 F N 0.312 120.340 119.950 0.129 0.000 1.993 261 F HA -0.319 4.345 4.527 0.229 0.000 0.297 261 F C 0.722 176.548 175.800 0.044 0.000 1.177 261 F CA 2.867 60.957 58.000 0.150 0.000 1.182 261 F CB 0.755 39.845 39.000 0.151 0.000 0.958 261 F HN -0.687 7.723 8.300 0.328 0.087 0.496 262 L N -2.198 118.966 121.223 -0.098 0.000 2.291 262 L HA -0.165 3.811 4.340 -0.724 -0.070 0.214 262 L C 1.707 178.336 176.870 -0.401 0.000 1.120 262 L CA 2.625 57.242 54.840 -0.372 0.000 0.799 262 L CB -0.325 41.621 42.059 -0.187 0.000 0.925 262 L HN -0.733 7.595 8.230 0.163 0.000 0.446 263 I N -2.263 118.110 120.570 -0.328 0.000 2.179 263 I HA -0.437 3.594 4.170 -0.232 0.000 0.242 263 I C 0.434 176.237 176.117 -0.524 0.000 1.088 263 I CA 3.309 64.421 61.300 -0.314 0.000 1.357 263 I CB -0.069 37.812 38.000 -0.199 0.000 1.051 263 I HN -0.190 7.848 8.210 -0.183 0.062 0.409 264 C N -1.291 117.463 119.300 -0.911 0.000 2.568 264 C HA -0.135 3.646 4.460 -1.132 0.000 0.284 264 C C 0.375 174.646 174.990 -1.200 0.000 1.338 264 C CA 3.517 61.647 59.018 -1.479 0.000 1.724 264 C CB 2.303 28.185 27.740 -3.097 0.000 2.131 264 C HN -0.428 7.245 8.230 -0.908 0.012 0.513 265 W N -2.732 118.395 121.300 -0.288 0.000 3.221 265 W HA 0.072 4.714 4.660 -0.171 -0.085 0.436 265 W C -0.956 175.204 176.519 -0.599 0.000 0.913 265 W CA -0.424 56.731 57.345 -0.316 0.000 2.004 265 W CB -1.129 28.150 29.460 -0.303 0.000 1.007 265 W HN -0.242 7.359 8.180 -0.982 -0.011 0.838 266 L N -0.566 120.345 121.223 -0.521 0.000 2.614 266 L HA 0.405 4.551 4.340 -0.323 0.000 0.185 266 L C -1.282 175.495 176.870 -0.156 0.000 1.098 266 L CA 1.892 56.492 54.840 -0.401 0.000 0.852 266 L CB -0.790 40.940 42.059 -0.549 0.000 1.213 266 L HN -0.622 7.151 8.230 -0.513 0.149 0.491 267 P HA -0.166 4.222 4.420 -0.054 0.000 0.223 267 P C 1.381 178.700 177.300 0.031 0.000 1.144 267 P CA 2.960 66.014 63.100 -0.077 0.000 0.783 267 P CB -0.152 31.452 31.700 -0.160 0.000 0.771 268 Y N -2.382 117.834 120.300 -0.140 0.000 2.559 268 Y HA -0.079 4.474 4.550 0.129 0.074 0.279 268 Y C 0.783 176.878 175.900 0.326 0.000 1.117 268 Y CA 2.718 60.855 58.100 0.063 0.000 1.263 268 Y CB 0.367 38.691 38.460 -0.226 0.000 1.230 268 Y HN 0.436 8.691 8.280 0.030 0.043 0.528 269 A N -0.414 122.681 122.820 0.459 0.000 1.948 269 A HA -0.375 4.205 4.320 0.434 0.000 0.220 269 A C 2.351 180.165 177.584 0.383 0.000 1.177 269 A CA 2.910 55.170 52.037 0.371 0.000 0.636 269 A CB -0.971 18.143 19.000 0.190 0.000 0.815 269 A HN -0.579 7.605 8.150 0.241 0.111 0.449 270 G N -1.443 107.513 108.800 0.260 0.000 2.705 270 G HA2 -0.231 3.863 3.960 0.224 0.000 0.214 270 G HA3 -0.231 3.809 3.960 0.134 0.000 0.214 270 G C -0.124 174.930 174.900 0.257 0.000 1.321 270 G CA 1.472 46.703 45.100 0.219 0.000 0.826 270 G HN -0.264 8.198 8.290 0.199 -0.053 0.595 271 V N 0.389 120.391 119.914 0.147 0.000 3.111 271 V HA -0.015 4.370 4.120 0.172 -0.162 0.381 271 V C -1.623 174.494 176.094 0.039 0.000 1.387 271 V CA 0.031 62.375 62.300 0.073 0.000 1.550 271 V CB -1.693 30.105 31.823 -0.042 0.000 1.305 271 V HN 0.172 8.335 8.190 0.092 0.082 0.494 272 A N 0.824 123.840 122.820 0.327 0.000 1.827 272 A HA 0.225 4.765 4.320 0.366 -0.000 0.196 272 A C 1.243 179.165 177.584 0.562 0.000 1.833 272 A CA 1.347 53.670 52.037 0.478 0.000 1.363 272 A CB 0.948 20.404 19.000 0.760 0.000 1.439 272 A HN 0.109 8.374 8.150 0.383 0.114 0.391 273 F N 3.847 124.058 119.950 0.435 0.000 2.031 273 F HA -0.200 4.619 4.527 0.487 0.000 0.295 273 F C -0.193 175.818 175.800 0.351 0.000 1.133 273 F CA 1.285 59.573 58.000 0.480 0.000 1.188 273 F CB 0.714 40.039 39.000 0.543 0.000 0.974 273 F HN -0.708 8.003 8.300 0.685 0.000 0.473 274 Y N -4.367 116.053 120.300 0.200 0.000 2.883 274 Y HA 0.172 4.742 4.550 0.034 0.000 0.385 274 Y C 1.374 177.349 175.900 0.125 0.000 1.067 274 Y CA -0.117 58.005 58.100 0.037 0.000 1.682 274 Y CB -1.337 37.052 38.460 -0.118 0.000 1.606 274 Y HN 0.052 8.653 8.280 0.535 0.000 0.508 275 I N 2.814 123.534 120.570 0.250 0.000 2.729 275 I HA -0.148 4.076 4.170 0.091 0.000 0.256 275 I C -0.521 175.633 176.117 0.062 0.000 1.115 275 I CA 1.013 62.402 61.300 0.148 0.000 1.446 275 I CB 1.220 39.316 38.000 0.160 0.000 1.176 275 I HN -0.064 8.197 8.210 0.232 0.088 0.446 276 F N -0.201 119.818 119.950 0.114 0.000 2.696 276 F HA 0.143 4.830 4.527 0.115 -0.091 0.296 276 F C 0.519 176.315 175.800 -0.006 0.000 1.181 276 F CA -0.494 57.565 58.000 0.097 0.000 1.411 276 F CB 0.015 39.120 39.000 0.175 0.000 1.014 276 F HN 0.202 8.561 8.300 0.436 0.203 0.512 277 T N -1.560 112.955 114.554 -0.065 0.000 2.946 277 T HA -0.375 3.917 4.350 -0.096 0.000 0.271 277 T C 0.224 174.775 174.700 -0.247 0.000 1.104 277 T CA 2.456 64.431 62.100 -0.208 0.000 1.114 277 T CB 0.350 68.909 68.868 -0.515 0.000 0.867 277 T HN -0.298 7.786 8.240 -0.128 0.079 0.513 278 H N -5.847 112.925 119.070 -0.495 0.000 4.059 278 H HA -0.481 3.354 4.556 -1.201 0.000 0.139 278 H C -1.085 173.976 175.328 -0.445 0.000 0.756 278 H CA 1.775 57.307 56.048 -0.860 0.000 1.257 278 H CB -2.347 26.781 29.762 -1.057 0.000 0.775 278 H HN 0.370 8.315 8.280 -0.369 0.114 0.511 279 Q N 3.185 122.506 119.800 -0.799 0.000 2.431 279 Q HA -0.043 3.351 4.340 -1.576 0.000 0.234 279 Q C -1.441 174.209 176.000 -0.584 0.000 1.203 279 Q CA 0.038 55.309 55.803 -0.886 0.000 0.902 279 Q CB -0.720 27.727 28.738 -0.485 0.000 1.455 279 Q HN -0.096 7.612 8.270 -0.663 0.164 0.515 280 G N 3.068 111.473 108.800 -0.659 0.000 3.441 280 G HA2 0.387 3.818 3.960 -0.832 0.000 0.195 280 G HA3 0.387 4.291 3.960 -0.370 -0.165 0.195 280 G C -1.065 173.359 174.900 -0.793 0.000 1.633 280 G CA -0.789 43.920 45.100 -0.652 0.000 0.895 280 G HN 0.305 8.101 8.290 -0.711 0.068 0.654 281 S N -1.609 113.834 115.700 -0.428 0.000 3.706 281 S HA -0.336 4.038 4.470 -0.160 0.000 0.363 281 S C -1.308 173.064 174.600 -0.380 0.000 0.999 281 S CA 0.505 58.531 58.200 -0.291 0.000 1.143 281 S CB -0.175 62.917 63.200 -0.181 0.000 0.902 281 S HN 0.188 8.347 8.310 -0.253 0.000 0.476 282 D N -1.191 118.968 120.400 -0.401 0.000 2.636 282 D HA 0.194 4.766 4.640 -0.114 0.000 0.270 282 D C -1.160 175.134 176.300 -0.010 0.000 1.430 282 D CA 0.116 54.045 54.000 -0.119 0.000 0.796 282 D CB 0.880 41.694 40.800 0.023 0.000 1.117 282 D HN -0.214 8.010 8.370 -0.242 0.000 0.480 283 F N -3.662 116.299 119.950 0.018 0.000 2.810 283 F HA 0.815 5.569 4.527 0.075 -0.182 0.353 283 F C -0.954 174.898 175.800 0.086 0.000 1.227 283 F CA -1.150 56.873 58.000 0.038 0.000 1.210 283 F CB 0.656 39.644 39.000 -0.020 0.000 1.039 283 F HN -0.476 7.132 8.300 -1.073 0.048 0.509 284 G N -1.770 107.080 108.800 0.084 0.000 5.310 284 G HA2 0.022 4.251 3.960 0.261 0.000 0.203 284 G HA3 0.022 3.986 3.960 0.007 0.000 0.203 284 G C -3.122 171.792 174.900 0.024 0.000 0.800 284 G CA -0.325 44.833 45.100 0.095 0.000 0.754 284 G HN -0.053 8.210 8.290 -0.045 0.000 0.308 285 P HA 0.634 5.425 4.420 0.173 -0.267 0.281 285 P C -0.280 177.072 177.300 0.088 0.000 1.281 285 P CA -1.819 61.358 63.100 0.128 0.000 0.811 285 P CB 1.378 33.167 31.700 0.148 0.000 1.154 286 I N -4.962 115.685 120.570 0.127 0.000 3.004 286 I HA 0.060 4.506 4.170 0.177 -0.169 0.287 286 I C -0.276 176.026 176.117 0.307 0.000 1.144 286 I CA -0.834 60.577 61.300 0.184 0.000 1.353 286 I CB 0.332 38.425 38.000 0.154 0.000 1.417 286 I HN 0.034 8.195 8.210 0.108 0.114 0.602 287 F N 1.469 121.478 119.950 0.098 0.000 2.189 287 F HA -0.332 4.400 4.527 0.078 -0.158 0.505 287 F C -1.516 174.352 175.800 0.114 0.000 1.267 287 F CA 0.580 58.636 58.000 0.093 0.000 1.622 287 F CB -0.336 38.720 39.000 0.093 0.000 2.574 287 F HN 0.214 8.661 8.300 0.245 0.000 0.731 288 M N 2.226 121.763 119.600 -0.106 0.000 3.941 288 M HA -0.221 4.367 4.480 0.043 -0.082 0.159 288 M C -2.318 174.059 176.300 0.128 0.000 1.509 288 M CA 0.189 55.525 55.300 0.059 0.000 1.063 288 M CB 0.296 32.986 32.600 0.149 0.000 1.339 288 M HN 0.227 8.417 8.290 -0.166 0.000 0.307 289 T N 3.505 118.114 114.554 0.093 0.000 2.788 289 T HA 0.015 4.374 4.350 0.014 0.000 0.287 289 T C -0.095 174.558 174.700 -0.078 0.000 1.007 289 T CA 1.020 63.101 62.100 -0.032 0.000 1.005 289 T CB 0.956 69.660 68.868 -0.274 0.000 1.012 289 T HN -0.030 8.296 8.240 0.143 0.000 0.530 290 I N -2.717 117.828 120.570 -0.042 0.000 4.844 290 I HA -0.359 3.949 4.170 0.231 0.000 0.039 290 I C -1.184 174.942 176.117 0.016 0.000 0.634 290 I CA 2.962 64.268 61.300 0.010 0.000 0.468 290 I CB -3.543 34.420 38.000 -0.061 0.000 0.482 290 I HN 0.477 8.766 8.210 0.028 -0.062 0.151 291 P HA -0.181 3.912 4.420 -0.546 0.000 0.221 291 P C -0.321 177.137 177.300 0.263 0.000 1.141 291 P CA 3.206 66.177 63.100 -0.215 0.000 0.794 291 P CB -0.254 31.272 31.700 -0.289 0.000 0.764 292 A N -5.139 117.835 122.820 0.257 0.000 2.571 292 A HA 0.122 4.689 4.320 0.413 0.000 0.274 292 A C -0.001 177.754 177.584 0.286 0.000 1.196 292 A CA -0.473 51.756 52.037 0.321 0.000 0.957 292 A CB -0.093 19.066 19.000 0.265 0.000 1.150 292 A HN -0.497 7.754 8.150 0.168 -0.001 0.539 293 F N 0.036 120.048 119.950 0.104 0.000 2.147 293 F HA -0.118 4.304 4.527 -0.174 0.000 0.291 293 F C 0.021 175.796 175.800 -0.041 0.000 1.093 293 F CA 1.806 59.754 58.000 -0.087 0.000 1.263 293 F CB 1.921 40.768 39.000 -0.254 0.000 1.036 293 F HN 0.059 8.528 8.300 0.489 0.125 0.481 294 F N -3.288 116.750 119.950 0.146 0.000 2.558 294 F HA -0.100 4.234 4.527 -0.323 0.000 0.298 294 F C -0.053 175.616 175.800 -0.219 0.000 1.119 294 F CA 2.162 60.064 58.000 -0.163 0.000 1.451 294 F CB -0.087 38.798 39.000 -0.193 0.000 1.091 294 F HN -0.069 8.731 8.300 0.833 0.000 0.563 295 A N -4.091 118.798 122.820 0.114 0.000 2.988 295 A HA 0.093 4.515 4.320 0.169 0.000 0.288 295 A C -1.090 176.584 177.584 0.150 0.000 1.385 295 A CA -0.387 51.766 52.037 0.192 0.000 1.001 295 A CB -1.400 17.809 19.000 0.348 0.000 1.071 295 A HN -0.593 7.654 8.150 0.245 0.050 0.608 296 K N -3.381 117.022 120.400 0.004 0.000 2.598 296 K HA 0.220 4.601 4.320 0.102 0.000 0.214 296 K C -0.376 176.133 176.600 -0.151 0.000 1.575 296 K CA 0.300 56.581 56.287 -0.009 0.000 1.042 296 K CB 2.802 35.323 32.500 0.036 0.000 1.338 296 K HN -0.223 7.765 8.250 -0.112 0.194 0.590 297 T N 1.149 115.454 114.554 -0.416 0.000 3.273 297 T HA 0.090 4.266 4.350 -0.291 0.000 0.254 297 T C -0.609 173.993 174.700 -0.162 0.000 1.002 297 T CA 0.641 62.516 62.100 -0.376 0.000 0.913 297 T CB 0.131 68.616 68.868 -0.639 0.000 1.056 297 T HN 0.154 7.858 8.240 -0.731 0.097 0.576 298 S N -0.023 115.646 115.700 -0.051 0.000 3.031 298 S HA 0.136 4.571 4.470 -0.058 0.000 0.253 298 S C -1.530 173.182 174.600 0.187 0.000 0.996 298 S CA 0.246 58.466 58.200 0.033 0.000 1.098 298 S CB 0.751 64.013 63.200 0.103 0.000 1.042 298 S HN 0.042 8.379 8.310 -0.035 -0.048 0.593 299 A N 0.397 123.309 122.820 0.153 0.000 2.507 299 A HA 0.188 4.838 4.320 0.427 -0.073 0.270 299 A C -0.996 176.720 177.584 0.220 0.000 1.318 299 A CA -0.319 51.880 52.037 0.270 0.000 0.924 299 A CB -0.290 18.845 19.000 0.225 0.000 1.061 299 A HN -0.152 7.856 8.150 0.040 0.166 0.516 300 V N -4.619 115.323 119.914 0.046 0.000 2.217 300 V HA 0.147 4.249 4.120 -0.031 0.000 0.264 300 V C -1.376 174.580 176.094 -0.231 0.000 1.107 300 V CA -1.568 60.686 62.300 -0.076 0.000 0.913 300 V CB -1.521 30.225 31.823 -0.129 0.000 1.153 300 V HN -0.666 7.405 8.190 -0.002 0.117 0.469 301 Y N 5.865 126.125 120.300 -0.067 0.000 2.506 301 Y HA -0.200 4.337 4.550 -0.021 0.000 0.333 301 Y C -0.803 175.046 175.900 -0.085 0.000 1.177 301 Y CA 1.727 59.797 58.100 -0.051 0.000 1.292 301 Y CB -1.128 37.318 38.460 -0.023 0.000 1.124 301 Y HN -0.274 8.320 8.280 0.148 -0.226 0.507 302 N N -0.250 118.342 118.700 -0.180 0.000 2.319 302 N HA 0.044 4.685 4.740 -0.165 0.000 0.189 302 N C -0.106 175.226 175.510 -0.297 0.000 1.042 302 N CA 0.785 53.712 53.050 -0.205 0.000 0.879 302 N CB -0.446 37.912 38.487 -0.215 0.000 1.052 302 N HN -0.088 8.030 8.380 -0.197 0.143 0.446 303 P HA -0.008 3.796 4.420 -1.027 0.000 0.253 303 P C -0.957 176.328 177.300 -0.026 0.000 1.281 303 P CA 0.278 63.125 63.100 -0.421 0.000 0.792 303 P CB -0.496 31.010 31.700 -0.324 0.000 1.193 304 V N -2.278 117.565 119.914 -0.119 0.000 2.915 304 V HA 0.101 4.260 4.120 0.065 0.000 0.364 304 V C -0.653 175.464 176.094 0.038 0.000 1.354 304 V CA -0.944 61.312 62.300 -0.073 0.000 1.213 304 V CB 0.130 31.788 31.823 -0.276 0.000 1.268 304 V HN -0.705 7.332 8.190 -0.235 0.012 0.557 305 I N -7.621 112.986 120.570 0.062 0.000 4.154 305 I HA 0.142 4.354 4.170 0.070 0.000 0.334 305 I C -1.528 174.646 176.117 0.095 0.000 1.371 305 I CA -0.547 60.795 61.300 0.071 0.000 1.110 305 I CB 0.972 38.996 38.000 0.039 0.000 1.085 305 I HN -0.398 7.671 8.210 -0.007 0.137 0.398 306 Y N -2.938 117.294 120.300 -0.114 0.000 2.696 306 Y HA 0.336 4.811 4.550 -0.158 -0.019 0.255 306 Y C -0.869 174.915 175.900 -0.194 0.000 1.103 306 Y CA -3.738 54.276 58.100 -0.144 0.000 1.126 306 Y CB 0.131 38.530 38.460 -0.102 0.000 1.197 306 Y HN -0.822 7.698 8.280 0.400 0.000 0.574 307 I N -0.571 119.806 120.570 -0.322 0.000 5.839 307 I HA -0.562 3.478 4.170 -0.216 0.000 0.194 307 I C -1.212 174.821 176.117 -0.140 0.000 1.676 307 I CA 1.354 62.555 61.300 -0.164 0.000 2.300 307 I CB -1.275 36.710 38.000 -0.026 0.000 3.105 307 I HN 0.472 8.385 8.210 -0.495 0.000 0.327 308 M N -9.180 110.294 119.600 -0.212 0.000 2.040 308 M HA 0.229 4.617 4.480 -0.154 0.000 0.338 308 M C -0.351 175.767 176.300 -0.303 0.000 0.905 308 M CA 0.479 55.670 55.300 -0.181 0.000 1.148 308 M CB 2.636 35.183 32.600 -0.088 0.000 2.135 308 M HN -0.823 7.199 8.290 -0.244 0.121 0.728 309 M N -2.459 116.845 119.600 -0.493 0.000 2.769 309 M HA -0.570 3.062 4.480 -1.413 0.000 0.134 309 M C -0.554 174.655 176.300 -1.818 0.000 0.714 309 M CA 3.493 58.082 55.300 -1.185 0.000 0.509 309 M CB -1.397 30.773 32.600 -0.715 0.000 1.899 309 M HN 0.246 8.233 8.290 -0.358 0.089 0.252 310 N N -5.218 113.139 118.700 -0.573 0.000 2.142 310 N HA 0.113 4.973 4.740 -0.066 -0.160 0.303 310 N C 0.787 176.234 175.510 -0.105 0.000 0.961 310 N CA 1.790 54.704 53.050 -0.227 0.000 0.683 310 N CB 2.043 40.410 38.487 -0.201 0.000 2.023 310 N HN 0.237 8.337 8.380 -0.414 0.032 0.826 311 K N -0.600 119.726 120.400 -0.123 0.000 2.425 311 K HA 0.170 4.476 4.320 -0.023 0.000 0.201 311 K C -2.045 174.524 176.600 -0.051 0.000 1.128 311 K CA -0.099 56.150 56.287 -0.063 0.000 1.000 311 K CB 2.670 35.132 32.500 -0.063 0.000 0.961 311 K HN 0.097 8.079 8.250 -0.185 0.157 0.555 312 Q N -2.023 117.722 119.800 -0.092 0.000 3.557 312 Q HA 0.191 4.530 4.340 -0.003 0.000 0.264 312 Q C -2.197 173.756 176.000 -0.078 0.000 0.850 312 Q CA -0.068 55.706 55.803 -0.049 0.000 0.833 312 Q CB 0.263 28.968 28.738 -0.056 0.000 1.505 312 Q HN 0.511 8.587 8.270 -0.143 0.108 0.402 313 F N 1.157 121.082 119.950 -0.042 0.000 3.051 313 F HA 0.295 4.799 4.527 -0.037 0.000 0.341 313 F C -2.732 173.040 175.800 -0.047 0.000 1.227 313 F CA -0.395 57.577 58.000 -0.046 0.000 1.030 313 F CB 2.576 41.535 39.000 -0.069 0.000 1.381 313 F HN -0.279 7.989 8.300 -0.081 -0.016 0.507 314 R N 1.401 122.074 120.500 0.288 0.000 2.980 314 R HA 0.092 4.591 4.340 0.105 -0.096 0.211 314 R C -2.649 173.705 176.300 0.090 0.000 1.542 314 R CA 0.004 56.221 56.100 0.195 0.000 0.924 314 R CB 0.360 30.820 30.300 0.266 0.000 1.492 314 R HN -0.216 8.150 8.270 0.120 -0.024 0.436 315 N N 1.169 119.897 118.700 0.047 0.000 2.518 315 N HA -0.043 4.712 4.740 0.025 0.000 0.266 315 N C -0.826 174.713 175.510 0.047 0.000 1.196 315 N CA 1.037 54.107 53.050 0.033 0.000 0.947 315 N CB 0.783 39.279 38.487 0.014 0.000 1.098 315 N HN -0.286 8.109 8.380 0.025 0.000 0.450 316 C N -4.955 114.361 119.300 0.027 0.000 2.794 316 C HA 0.202 4.814 4.460 0.016 -0.142 0.306 316 C C -1.793 173.196 174.990 -0.001 0.000 5.339 316 C CA -1.297 57.733 59.018 0.020 0.000 1.384 316 C CB 1.711 29.474 27.740 0.038 0.000 5.952 316 C HN 0.029 8.274 8.230 0.025 0.000 0.387 317 M N -0.455 119.136 119.600 -0.015 0.000 7.306 317 M HA -0.456 4.006 4.480 -0.029 0.000 0.157 317 M C -1.512 174.783 176.300 -0.008 0.000 0.491 317 M CA 2.146 57.434 55.300 -0.019 0.000 1.310 317 M CB 0.180 32.769 32.600 -0.017 0.000 0.430 317 M HN -0.175 8.306 8.290 -0.019 -0.203 0.190 318 V N -7.976 111.933 119.914 -0.009 0.000 2.866 318 V HA 0.000 4.118 4.120 -0.003 0.000 0.308 318 V C -2.190 173.903 176.094 -0.003 0.000 2.011 318 V CA 0.127 62.425 62.300 -0.003 0.000 0.886 318 V CB -0.170 31.654 31.823 0.002 0.000 1.170 318 V HN 0.093 8.276 8.190 -0.012 0.000 0.345 319 T N 0.048 114.602 114.554 0.001 0.000 2.990 319 T HA 0.148 4.497 4.350 -0.001 0.000 0.249 319 T C 0.178 174.880 174.700 0.003 0.000 1.039 319 T CA 0.570 62.670 62.100 0.001 0.000 1.036 319 T CB 0.864 69.733 68.868 0.001 0.000 0.994 319 T HN 0.162 8.620 8.240 0.002 -0.216 0.489 320 T N 2.898 117.456 114.554 0.006 0.000 4.009 320 T HA 0.275 4.630 4.350 0.009 0.000 0.323 320 T C -2.639 172.070 174.700 0.014 0.000 0.760 320 T CA 0.713 62.819 62.100 0.009 0.000 0.987 320 T CB 1.934 70.807 68.868 0.009 0.000 1.070 320 T HN 0.160 8.924 8.240 0.007 -0.520 0.471 321 L N 4.835 126.069 121.223 0.018 0.000 3.030 321 L HA 0.413 4.761 4.340 0.014 0.000 0.212 321 L C -2.818 174.065 176.870 0.022 0.000 1.623 321 L CA 1.076 55.927 54.840 0.019 0.000 1.465 321 L CB 1.708 43.779 42.059 0.021 0.000 1.738 321 L HN 0.310 8.554 8.230 0.023 0.000 0.536 322 C N -3.456 115.863 119.300 0.032 0.000 3.295 322 C HA 0.414 4.891 4.460 0.027 0.000 0.370 322 C C -0.725 174.306 174.990 0.067 0.000 1.974 322 C CA -1.560 57.481 59.018 0.037 0.000 1.282 322 C CB 2.168 29.925 27.740 0.028 0.000 2.380 322 C HN -0.018 8.232 8.230 0.035 0.000 0.443 323 C N -0.040 119.313 119.300 0.088 0.000 4.252 323 C HA -0.252 4.508 4.460 0.220 -0.168 0.285 323 C C -1.351 173.853 174.990 0.357 0.000 1.466 323 C CA 0.499 59.621 59.018 0.172 0.000 1.946 323 C CB -0.768 27.010 27.740 0.063 0.000 1.366 323 C HN 0.427 8.694 8.230 0.061 0.000 0.783 324 G N -3.730 105.181 108.800 0.185 0.000 3.190 324 G HA2 -0.370 3.758 3.960 0.013 0.000 0.686 324 G HA3 -0.370 3.612 3.960 0.050 0.008 0.686 324 G C -1.874 172.951 174.900 -0.126 0.000 1.033 324 G CA -0.158 44.966 45.100 0.040 0.000 0.797 324 G HN -0.662 7.741 8.290 0.188 0.000 0.567 325 K N 1.889 122.190 120.400 -0.165 0.000 3.118 325 K HA 0.234 4.319 4.320 -0.392 0.000 0.157 325 K C -1.922 174.578 176.600 -0.168 0.000 1.043 325 K CA -0.216 55.910 56.287 -0.269 0.000 1.073 325 K CB 1.022 33.355 32.500 -0.278 0.000 0.685 325 K HN 0.864 9.663 8.250 -0.092 -0.605 0.390 326 N N -2.793 115.833 118.700 -0.124 0.000 2.408 326 N HA 0.100 4.785 4.740 -0.092 0.000 0.332 326 N C -2.211 173.260 175.510 -0.065 0.000 0.852 326 N CA 0.294 53.293 53.050 -0.086 0.000 0.870 326 N CB 0.531 38.980 38.487 -0.063 0.000 2.360 326 N HN -0.164 8.144 8.380 -0.119 0.000 1.062 327 P HA 0.133 4.673 4.420 -0.053 -0.152 0.276 327 P C -1.241 176.041 177.300 -0.029 0.000 1.243 327 P CA -0.078 62.995 63.100 -0.044 0.000 0.768 327 P CB 0.570 32.251 31.700 -0.032 0.000 0.856 328 L N 3.588 124.795 121.223 -0.026 0.000 2.415 328 L HA 0.447 4.779 4.340 -0.014 0.000 0.194 328 L C 1.159 178.022 176.870 -0.011 0.000 1.256 328 L CA 0.235 55.065 54.840 -0.016 0.000 1.974 328 L CB -0.124 41.926 42.059 -0.015 0.000 1.753 328 L HN 0.303 8.515 8.230 -0.030 0.000 0.948 329 G N -4.509 104.286 108.800 -0.008 0.000 2.557 329 G HA2 0.066 4.174 3.960 0.000 0.000 0.302 329 G HA3 0.066 3.959 3.960 -0.001 0.066 0.302 329 G C -2.220 172.676 174.900 -0.006 0.000 1.311 329 G CA -0.794 44.304 45.100 -0.003 0.000 1.030 329 G HN -0.520 7.763 8.290 -0.011 0.000 0.509 330 D N -1.725 118.677 120.400 0.003 0.000 2.400 330 D HA 0.103 4.858 4.640 -0.004 -0.118 0.197 330 D C -2.939 173.372 176.300 0.019 0.000 1.295 330 D CA 0.642 54.645 54.000 0.006 0.000 0.878 330 D CB 2.768 43.575 40.800 0.011 0.000 1.659 330 D HN -0.025 8.397 8.370 0.008 -0.048 0.546 331 D N 2.830 123.240 120.400 0.016 0.000 3.076 331 D HA 0.356 5.008 4.640 0.019 0.000 0.301 331 D C 0.201 176.510 176.300 0.015 0.000 1.260 331 D CA -1.902 52.107 54.000 0.015 0.000 1.027 331 D CB 3.560 44.365 40.800 0.009 0.000 1.370 331 D HN 0.518 8.762 8.370 0.009 0.132 0.602 332 E N -3.317 116.889 120.200 0.009 0.000 3.801 332 E HA -0.367 3.985 4.350 0.004 0.000 0.319 332 E C -1.934 174.669 176.600 0.004 0.000 0.784 332 E CA 1.182 57.586 56.400 0.006 0.000 1.183 332 E CB -0.413 29.290 29.700 0.006 0.000 1.601 332 E HN 0.435 8.800 8.360 0.008 0.000 0.441 333 A N -4.656 118.167 122.820 0.005 0.000 3.005 333 A HA 0.242 4.563 4.320 0.001 0.000 0.282 333 A C -1.788 175.798 177.584 0.003 0.000 1.218 333 A CA -0.833 51.206 52.037 0.002 0.000 0.703 333 A CB 2.007 21.007 19.000 0.000 0.000 1.387 333 A HN -0.690 7.365 8.150 0.008 0.100 0.592 334 S N -1.741 113.960 115.700 0.001 0.000 3.319 334 S HA -0.366 4.207 4.470 0.000 -0.104 0.619 334 S C 0.936 175.536 174.600 -0.000 0.000 2.833 334 S CA 2.347 60.548 58.200 0.001 0.000 3.997 334 S CB -0.179 63.023 63.200 0.003 0.000 0.417 334 S HN 0.150 8.460 8.310 -0.000 0.000 1.244 335 T N -6.027 108.526 114.554 -0.002 0.000 5.310 335 T HA -0.061 4.285 4.350 -0.006 0.000 0.267 335 T C -1.392 173.302 174.700 -0.009 0.000 2.219 335 T CA 0.814 62.910 62.100 -0.007 0.000 3.806 335 T CB 0.131 68.991 68.868 -0.014 0.000 0.203 335 T HN 0.217 8.456 8.240 -0.001 0.000 0.433 336 T N 0.874 115.426 114.554 -0.003 0.000 3.987 336 T HA 0.059 4.408 4.350 -0.003 0.000 0.439 336 T C -1.355 173.346 174.700 0.002 0.000 1.283 336 T CA 0.511 62.610 62.100 -0.002 0.000 1.095 336 T CB 1.440 70.308 68.868 -0.001 0.000 1.338 336 T HN -0.988 7.252 8.240 -0.001 0.000 0.448 337 V N 3.972 123.888 119.914 0.005 0.000 0.357 337 V HA -0.310 3.815 4.120 0.009 0.000 0.092 337 V C -1.191 174.907 176.094 0.007 0.000 2.821 337 V CA 1.728 64.032 62.300 0.007 0.000 3.855 337 V CB 0.144 31.971 31.823 0.005 0.000 1.101 337 V HN 0.335 8.528 8.190 0.005 0.000 1.160 338 S N -0.072 115.631 115.700 0.005 0.000 2.809 338 S HA 0.135 4.625 4.470 0.003 -0.019 0.248 338 S C -2.219 172.382 174.600 0.002 0.000 1.071 338 S CA -0.154 58.048 58.200 0.003 0.000 1.059 338 S CB -0.080 63.122 63.200 0.004 0.000 0.923 338 S HN -0.097 8.215 8.310 0.005 0.000 0.516 339 K N -3.849 116.552 120.400 0.002 0.000 3.302 339 K HA 0.080 4.400 4.320 0.000 0.000 0.404 339 K C -2.259 174.341 176.600 0.001 0.000 1.216 339 K CA 0.375 56.662 56.287 0.000 0.000 0.970 339 K CB 0.382 32.882 32.500 -0.001 0.000 1.260 339 K HN -0.864 7.321 8.250 0.003 0.067 0.429 340 T N -3.415 111.139 114.554 0.001 0.000 3.085 340 T HA 0.079 4.429 4.350 0.001 0.000 0.264 340 T C -0.502 174.198 174.700 -0.001 0.000 1.019 340 T CA -0.599 61.501 62.100 0.000 0.000 0.910 340 T CB 0.678 69.547 68.868 0.001 0.000 1.059 340 T HN 0.279 8.520 8.240 0.001 0.000 0.542 341 E N -0.331 119.868 120.200 -0.001 0.000 2.185 341 E HA 0.032 4.380 4.350 -0.003 0.000 0.249 341 E C -1.194 175.404 176.600 -0.002 0.000 1.408 341 E CA -0.645 55.754 56.400 -0.002 0.000 0.937 341 E CB 0.236 29.936 29.700 -0.001 0.000 1.581 341 E HN -0.735 7.526 8.360 -0.001 0.099 0.498 342 T N 1.254 115.807 114.554 -0.002 0.000 3.169 342 T HA -0.098 4.250 4.350 -0.004 0.000 0.250 342 T C -0.891 173.806 174.700 -0.006 0.000 1.111 342 T CA 1.416 63.514 62.100 -0.003 0.000 1.010 342 T CB 0.071 68.938 68.868 -0.002 0.000 0.984 342 T HN 0.339 8.578 8.240 -0.002 0.000 0.537 343 S N -2.268 113.428 115.700 -0.006 0.000 2.387 343 S HA 0.210 4.672 4.470 -0.014 0.000 0.211 343 S C -2.441 172.154 174.600 -0.009 0.000 1.055 343 S CA -0.253 57.941 58.200 -0.010 0.000 1.133 343 S CB 1.754 64.950 63.200 -0.008 0.000 1.235 343 S HN -0.353 7.829 8.310 -0.005 0.125 0.425 344 Q N 3.156 122.950 119.800 -0.011 0.000 2.687 344 Q HA 0.249 4.586 4.340 -0.005 0.000 0.305 344 Q C -1.212 174.783 176.000 -0.009 0.000 1.006 344 Q CA -1.938 53.860 55.803 -0.008 0.000 0.763 344 Q CB 4.670 33.404 28.738 -0.007 0.000 1.506 344 Q HN 0.471 8.732 8.270 -0.015 0.000 0.459 345 V N -0.283 119.627 119.914 -0.006 0.000 2.626 345 V HA -0.244 3.875 4.120 -0.002 0.000 0.252 345 V C 0.148 176.240 176.094 -0.004 0.000 1.067 345 V CA 2.578 64.876 62.300 -0.003 0.000 1.081 345 V CB -0.104 31.719 31.823 0.000 0.000 0.686 345 V HN 0.476 8.663 8.190 -0.005 0.000 0.468 346 A N -1.341 121.474 122.820 -0.009 0.000 3.004 346 A HA 0.200 4.515 4.320 -0.009 0.000 0.286 346 A C -1.976 175.596 177.584 -0.020 0.000 1.632 346 A CA -2.690 49.339 52.037 -0.014 0.000 1.339 346 A CB -1.218 17.771 19.000 -0.018 0.000 1.136 346 A HN -0.751 7.336 8.150 -0.011 0.056 0.577 347 P HA 0.251 4.818 4.420 -0.019 -0.158 0.284 347 P C -1.781 175.503 177.300 -0.026 0.000 1.292 347 P CA -0.727 62.364 63.100 -0.015 0.000 0.800 347 P CB 1.501 33.199 31.700 -0.003 0.000 1.188 348 A N 0.000 122.800 122.820 -0.033 0.000 2.254 348 A HA 0.000 4.276 4.320 -0.018 0.033 0.244 348 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 348 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 348 A HN 0.000 8.117 8.150 -0.055 0.000 0.486