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 1f3r_1_B DATA FIRST_RESID 1 DATA SEQUENCE QVQLLESGPG LVRPSETLSL TCTVSGFSLT SFSVSWVRHP SGKGPEWMGR DATA SEQUENCE MWYDGYTAYN SALKSRLSIS RDTSKNQVFL KMNSLQTDDT GTYYCTRDLY DATA SEQUENCE GGYPLGFWYF DFWGPGTMVT VSSGGGGSGG GGSGGGGSDI KLTQSPSLLS DATA SEQUENCE ASVGDRVTLS CKGSQNINNY LAWYQQKLGE APKLLIYNTN SLQTGIPSRF DATA SEQUENCE SGSGSGTDYT LTISSLQPED VATYFCYQYN NGYTFGAGTK LELKAAEQKL DATA SEQUENCE ISEEDLN 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 1 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 1 Q C 0.000 175.954 176.000 -0.076 0.000 1.003 1 Q CA 0.000 55.788 55.803 -0.024 0.000 1.022 1 Q CB 0.000 28.732 28.738 -0.011 0.000 1.108 2 V N 3.777 123.593 119.914 -0.164 0.000 2.349 2 V HA 0.332 4.547 4.120 -0.164 -0.193 0.284 2 V C -0.906 174.815 176.094 -0.622 0.000 1.014 2 V CA -0.727 61.400 62.300 -0.289 0.000 0.826 2 V CB 0.578 32.236 31.823 -0.275 0.000 1.009 2 V HN 0.247 8.355 8.190 -0.137 0.000 0.431 3 Q N 7.424 126.987 119.800 -0.394 0.000 2.357 3 Q HA 0.302 4.312 4.340 -0.550 0.000 0.266 3 Q C -1.579 174.282 176.000 -0.231 0.000 1.021 3 Q CA -1.549 54.043 55.803 -0.353 0.000 0.784 3 Q CB 2.265 30.927 28.738 -0.128 0.000 1.243 3 Q HN 0.407 8.436 8.270 -0.225 0.106 0.465 4 L N 5.466 126.564 121.223 -0.209 0.000 2.334 4 L HA 0.082 4.368 4.340 -0.090 0.000 0.286 4 L C -1.454 175.408 176.870 -0.014 0.000 1.108 4 L CA -0.214 54.584 54.840 -0.071 0.000 0.875 4 L CB -0.127 41.924 42.059 -0.014 0.000 1.246 4 L HN 0.666 8.658 8.230 -0.397 0.000 0.439 5 L N 5.526 126.725 121.223 -0.040 0.000 2.315 5 L HA 0.195 4.547 4.340 0.020 0.000 0.278 5 L C -1.567 175.292 176.870 -0.018 0.000 1.088 5 L CA -1.241 53.591 54.840 -0.013 0.000 0.899 5 L CB 0.499 42.545 42.059 -0.021 0.000 1.277 5 L HN 0.035 8.222 8.230 -0.072 0.000 0.431 6 E N 5.557 125.759 120.200 0.005 0.000 2.217 6 E HA 0.020 4.571 4.350 0.067 -0.161 0.279 6 E C -1.095 175.553 176.600 0.079 0.000 1.068 6 E CA -1.392 55.042 56.400 0.058 0.000 0.882 6 E CB -0.350 29.387 29.700 0.061 0.000 1.039 6 E HN -0.189 8.182 8.360 0.019 0.000 0.418 7 S N 5.267 121.011 115.700 0.072 0.000 2.480 7 S HA 0.144 4.633 4.470 0.032 0.000 0.286 7 S C -1.055 173.565 174.600 0.034 0.000 1.180 7 S CA 0.425 58.649 58.200 0.039 0.000 1.075 7 S CB 1.439 64.647 63.200 0.013 0.000 0.996 7 S HN 0.646 8.873 8.310 0.075 0.128 0.487 8 G N 1.633 110.445 108.800 0.021 0.000 2.733 8 G HA2 0.224 4.169 3.960 -0.026 0.000 0.297 8 G HA3 0.224 4.186 3.960 0.002 0.000 0.297 8 G C -2.233 172.667 174.900 -0.001 0.000 1.422 8 G CA -1.324 43.774 45.100 -0.002 0.000 0.942 8 G HN -0.180 8.124 8.290 0.023 0.000 0.510 9 P HA 0.075 4.494 4.420 -0.002 0.000 0.249 9 P C 0.678 177.978 177.300 0.001 0.000 1.229 9 P CA -0.282 62.814 63.100 -0.006 0.000 0.788 9 P CB 0.319 32.010 31.700 -0.015 0.000 1.072 10 G N 0.558 109.363 108.800 0.009 0.000 4.039 10 G HA2 -0.410 3.750 3.960 0.021 0.000 0.220 10 G HA3 -0.410 3.556 3.960 0.011 0.000 0.220 10 G C -1.978 172.931 174.900 0.016 0.000 1.391 10 G CA 0.647 45.755 45.100 0.015 0.000 0.920 10 G HN 0.478 8.700 8.290 0.011 0.074 0.599 11 L N 1.233 122.461 121.223 0.007 0.000 2.385 11 L HA 0.655 5.141 4.340 0.013 -0.138 0.273 11 L C -1.197 175.671 176.870 -0.004 0.000 0.990 11 L CA -0.603 54.240 54.840 0.006 0.000 0.821 11 L CB 3.074 45.136 42.059 0.005 0.000 1.279 11 L HN -0.517 7.633 8.230 0.003 0.082 0.412 12 V N 5.565 125.476 119.914 -0.006 0.000 2.841 12 V HA 0.314 4.423 4.120 -0.018 0.000 0.310 12 V C -2.154 173.932 176.094 -0.014 0.000 1.090 12 V CA -2.845 59.444 62.300 -0.018 0.000 0.930 12 V CB 4.193 35.994 31.823 -0.037 0.000 1.014 12 V HN 0.772 8.964 8.190 0.003 0.000 0.425 13 R N 7.817 128.307 120.500 -0.017 0.000 2.347 13 R HA 0.245 4.579 4.340 -0.009 0.000 0.304 13 R C -1.660 174.629 176.300 -0.017 0.000 1.072 13 R CA -2.041 54.050 56.100 -0.014 0.000 0.980 13 R CB 0.263 30.554 30.300 -0.014 0.000 0.986 13 R HN 0.306 8.563 8.270 -0.021 0.000 0.448 14 P HA -0.217 4.264 4.420 -0.017 -0.071 0.269 14 P C -0.212 177.077 177.300 -0.019 0.000 1.211 14 P CA 0.800 63.891 63.100 -0.014 0.000 0.781 14 P CB 0.144 31.840 31.700 -0.006 0.000 0.877 15 S N -2.541 113.146 115.700 -0.022 0.000 1.620 15 S HA -0.397 4.058 4.470 -0.026 0.000 0.239 15 S C 0.480 175.060 174.600 -0.033 0.000 0.823 15 S CA 3.461 61.645 58.200 -0.025 0.000 1.359 15 S CB -1.129 62.059 63.200 -0.021 0.000 1.678 15 S HN 0.823 8.997 8.310 -0.021 0.123 0.521 16 E N 0.110 120.288 120.200 -0.036 0.000 4.019 16 E HA -0.013 4.312 4.350 -0.041 0.000 0.547 16 E C -0.736 175.831 176.600 -0.056 0.000 0.480 16 E CA 0.668 57.042 56.400 -0.043 0.000 3.361 16 E CB 0.832 30.509 29.700 -0.038 0.000 2.299 16 E HN -0.553 7.703 8.360 -0.032 0.085 0.456 17 T N -0.617 113.899 114.554 -0.063 0.000 2.971 17 T HA 0.485 4.984 4.350 -0.089 -0.203 0.304 17 T C -1.501 173.145 174.700 -0.090 0.000 1.038 17 T CA -0.817 61.234 62.100 -0.080 0.000 1.007 17 T CB 1.754 70.576 68.868 -0.077 0.000 1.055 17 T HN -0.251 7.955 8.240 -0.056 0.000 0.451 18 L N 6.994 128.145 121.223 -0.121 0.000 2.294 18 L HA 0.352 4.625 4.340 -0.112 0.000 0.283 18 L C -1.645 175.130 176.870 -0.157 0.000 1.015 18 L CA -1.425 53.329 54.840 -0.143 0.000 0.831 18 L CB 2.197 44.139 42.059 -0.195 0.000 1.217 18 L HN 0.465 8.513 8.230 -0.132 0.103 0.420 19 S N 8.010 123.648 115.700 -0.103 0.000 2.955 19 S HA 0.143 4.711 4.470 -0.100 -0.158 0.294 19 S C -0.285 174.279 174.600 -0.060 0.000 1.198 19 S CA -1.222 56.940 58.200 -0.064 0.000 1.008 19 S CB -0.890 62.319 63.200 0.014 0.000 1.279 19 S HN 0.607 8.870 8.310 -0.078 0.000 0.508 20 L N 9.612 130.727 121.223 -0.180 0.000 2.456 20 L HA 0.087 4.566 4.340 -0.066 -0.179 0.277 20 L C -0.475 176.395 176.870 -0.001 0.000 1.124 20 L CA 0.226 54.979 54.840 -0.145 0.000 0.880 20 L CB -0.344 41.515 42.059 -0.333 0.000 1.192 20 L HN 0.253 8.319 8.230 -0.273 0.000 0.463 21 T N 7.815 122.411 114.554 0.069 0.000 2.801 21 T HA 0.413 4.849 4.350 -0.152 -0.178 0.306 21 T C -0.563 174.141 174.700 0.007 0.000 1.020 21 T CA -0.133 61.933 62.100 -0.057 0.000 0.948 21 T CB 0.346 69.119 68.868 -0.157 0.000 0.962 21 T HN 0.020 8.291 8.240 0.052 0.000 0.465 22 C N 10.522 129.867 119.300 0.075 0.000 2.311 22 C HA 0.046 4.655 4.460 -0.048 -0.177 0.357 22 C C -0.774 174.120 174.990 -0.160 0.000 1.086 22 C CA -2.014 56.973 59.018 -0.051 0.000 1.486 22 C CB -0.737 26.915 27.740 -0.148 0.000 1.974 22 C HN 0.984 9.312 8.230 0.164 0.000 0.508 23 T N 12.701 127.165 114.554 -0.150 0.000 2.738 23 T HA 0.221 4.635 4.350 -0.198 -0.182 0.294 23 T C -0.642 173.969 174.700 -0.150 0.000 0.914 23 T CA 0.851 62.855 62.100 -0.159 0.000 1.052 23 T CB -0.325 68.472 68.868 -0.119 0.000 0.897 23 T HN 0.441 8.618 8.240 -0.105 0.000 0.522 24 V N 5.392 125.184 119.914 -0.204 0.000 2.318 24 V HA 0.548 4.756 4.120 -0.157 -0.183 0.271 24 V C -1.107 174.872 176.094 -0.193 0.000 1.030 24 V CA -2.754 59.412 62.300 -0.223 0.000 0.844 24 V CB -0.719 30.872 31.823 -0.386 0.000 1.015 24 V HN 0.697 8.745 8.190 -0.237 0.000 0.460 25 S N 7.206 122.827 115.700 -0.132 0.000 3.072 25 S HA 0.042 4.454 4.470 -0.096 0.000 0.306 25 S C -0.368 174.182 174.600 -0.083 0.000 1.207 25 S CA -0.490 57.650 58.200 -0.099 0.000 1.008 25 S CB -0.912 62.242 63.200 -0.076 0.000 1.390 25 S HN 0.348 8.583 8.310 -0.126 0.000 0.523 26 G N 7.143 115.906 108.800 -0.061 0.000 4.444 26 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.158 26 G HA3 -0.139 3.835 3.960 0.024 0.000 0.158 26 G C -1.794 173.160 174.900 0.089 0.000 1.789 26 G CA 0.385 45.491 45.100 0.010 0.000 0.886 26 G HN -0.393 7.838 8.290 -0.097 0.000 0.284 27 F N -0.450 119.475 119.950 -0.042 0.000 2.470 27 F HA 0.443 5.003 4.527 0.055 0.000 0.329 27 F C -1.267 174.552 175.800 0.032 0.000 1.072 27 F CA -2.179 55.842 58.000 0.036 0.000 0.989 27 F CB 1.865 40.933 39.000 0.112 0.000 1.193 27 F HN -0.541 7.806 8.300 0.077 0.000 0.481 28 S N 1.348 117.077 115.700 0.049 0.000 2.528 28 S HA 0.144 4.522 4.470 -0.154 0.000 0.277 28 S C 1.517 176.117 174.600 -0.002 0.000 1.297 28 S CA -1.628 56.542 58.200 -0.050 0.000 1.052 28 S CB 1.039 64.247 63.200 0.013 0.000 0.917 28 S HN 0.112 8.550 8.310 0.213 0.000 0.492 29 L N 6.253 127.411 121.223 -0.109 0.000 2.079 29 L HA -0.253 4.042 4.340 -0.075 0.000 0.210 29 L C 1.524 178.492 176.870 0.163 0.000 1.081 29 L CA 3.041 57.873 54.840 -0.014 0.000 0.752 29 L CB -0.331 41.701 42.059 -0.046 0.000 0.896 29 L HN 0.702 8.829 8.230 -0.171 0.000 0.433 30 T N -5.908 108.705 114.554 0.098 0.000 2.881 30 T HA -0.339 4.170 4.350 0.107 -0.095 0.270 30 T C 1.933 176.659 174.700 0.043 0.000 1.068 30 T CA 2.514 64.661 62.100 0.078 0.000 1.131 30 T CB -0.229 68.649 68.868 0.016 0.000 0.871 30 T HN -0.027 8.244 8.240 0.053 0.000 0.479 31 S N 3.669 119.391 115.700 0.037 0.000 2.355 31 S HA -0.255 3.968 4.470 -0.412 0.000 0.210 31 S C 0.246 174.690 174.600 -0.259 0.000 1.035 31 S CA 3.310 61.382 58.200 -0.213 0.000 1.011 31 S CB 0.102 63.200 63.200 -0.171 0.000 1.000 31 S HN -0.332 8.010 8.310 0.135 0.050 0.423 32 F N 1.027 121.041 119.950 0.106 0.000 2.395 32 F HA 0.378 4.957 4.527 0.086 0.000 0.347 32 F C -0.096 175.796 175.800 0.154 0.000 1.157 32 F CA -2.152 55.826 58.000 -0.036 0.000 1.272 32 F CB -0.360 38.324 39.000 -0.526 0.000 1.607 32 F HN -0.436 8.132 8.300 0.445 0.000 0.571 33 S N 2.826 118.821 115.700 0.492 0.000 2.702 33 S HA -0.264 4.422 4.470 0.360 0.000 0.314 33 S C 0.046 174.805 174.600 0.264 0.000 1.244 33 S CA 0.250 58.673 58.200 0.372 0.000 1.058 33 S CB 0.465 63.837 63.200 0.287 0.000 0.783 33 S HN -0.364 8.342 8.310 0.660 0.000 0.503 34 V N 6.093 126.118 119.914 0.186 0.000 2.455 34 V HA -0.030 4.207 4.120 -0.109 -0.182 0.273 34 V C -0.093 175.921 176.094 -0.133 0.000 1.045 34 V CA 0.815 63.090 62.300 -0.041 0.000 0.976 34 V CB 0.064 31.831 31.823 -0.094 0.000 0.993 34 V HN 0.419 8.752 8.190 0.240 0.000 0.475 35 S N 6.012 121.492 115.700 -0.367 0.000 2.462 35 S HA 0.420 4.959 4.470 -0.119 -0.141 0.294 35 S C -1.272 173.026 174.600 -0.504 0.000 1.144 35 S CA -1.357 56.620 58.200 -0.371 0.000 1.088 35 S CB 1.751 64.562 63.200 -0.649 0.000 1.009 35 S HN 0.391 8.403 8.310 -0.496 0.000 0.484 36 W N 6.855 127.907 121.300 -0.413 0.000 2.429 36 W HA 0.428 5.148 4.660 -0.206 -0.184 0.314 36 W C -1.113 175.250 176.519 -0.260 0.000 1.062 36 W CA -1.495 55.682 57.345 -0.281 0.000 1.211 36 W CB 2.464 31.810 29.460 -0.191 0.000 1.305 36 W HN 0.926 9.004 8.180 -0.169 0.000 0.476 37 V N 3.990 123.993 119.914 0.147 0.000 2.525 37 V HA 0.564 4.929 4.120 0.163 -0.148 0.299 37 V C -1.464 174.779 176.094 0.248 0.000 1.034 37 V CA -1.571 60.822 62.300 0.155 0.000 0.863 37 V CB 3.022 34.856 31.823 0.019 0.000 0.999 37 V HN 0.786 9.082 8.190 0.178 0.000 0.423 38 R N 6.021 126.613 120.500 0.153 0.000 2.297 38 R HA 0.417 4.660 4.340 -0.162 0.000 0.308 38 R C -1.639 174.642 176.300 -0.030 0.000 1.029 38 R CA -1.691 54.381 56.100 -0.046 0.000 0.929 38 R CB 1.653 31.883 30.300 -0.116 0.000 1.046 38 R HN 0.726 9.086 8.270 0.150 0.000 0.461 39 H N 6.481 125.442 119.070 -0.182 0.000 2.725 39 H HA 0.804 5.493 4.556 -0.113 -0.201 0.283 39 H C -2.094 173.125 175.328 -0.183 0.000 1.110 39 H CA -3.332 52.640 56.048 -0.126 0.000 1.289 39 H CB 3.060 32.824 29.762 0.004 0.000 1.400 39 H HN 0.550 8.754 8.280 -0.128 0.000 0.493 40 P HA 0.194 4.667 4.420 -0.093 -0.109 0.274 40 P C -0.653 176.687 177.300 0.067 0.000 1.246 40 P CA -0.594 62.496 63.100 -0.017 0.000 0.795 40 P CB 0.980 32.659 31.700 -0.035 0.000 1.006 41 S N 0.655 116.373 115.700 0.029 0.000 2.670 41 S HA -0.213 4.283 4.470 0.043 0.000 0.328 41 S C 0.596 175.225 174.600 0.048 0.000 1.179 41 S CA 0.592 58.815 58.200 0.037 0.000 1.194 41 S CB -1.877 61.334 63.200 0.018 0.000 1.359 41 S HN 0.338 8.650 8.310 0.003 0.000 0.555 42 G N 5.509 114.353 108.800 0.075 0.000 2.165 42 G HA2 -0.402 3.691 3.960 0.085 0.000 0.226 42 G HA3 -0.402 3.781 3.960 0.052 -0.192 0.226 42 G C -0.819 174.115 174.900 0.057 0.000 1.035 42 G CA 0.617 45.759 45.100 0.069 0.000 0.744 42 G HN 0.144 8.500 8.290 0.110 0.000 0.501 43 K N -1.243 119.186 120.400 0.048 0.000 2.641 43 K HA 0.407 4.737 4.320 0.016 0.000 0.222 43 K C -1.103 175.455 176.600 -0.069 0.000 1.474 43 K CA -0.302 55.985 56.287 0.000 0.000 0.873 43 K CB 3.250 35.745 32.500 -0.009 0.000 1.817 43 K HN -0.501 7.796 8.250 0.079 0.000 0.419 44 G N -2.357 106.293 108.800 -0.251 0.000 2.369 44 G HA2 -0.002 3.379 3.960 -0.966 0.000 0.307 44 G HA3 -0.002 3.774 3.960 -0.307 0.000 0.307 44 G C -3.175 171.314 174.900 -0.685 0.000 1.327 44 G CA -0.595 44.160 45.100 -0.575 0.000 0.963 44 G HN -0.650 7.526 8.290 -0.190 0.000 0.590 45 P HA 0.216 4.553 4.420 -0.421 -0.170 0.280 45 P C -2.188 175.024 177.300 -0.147 0.000 1.300 45 P CA -0.758 62.010 63.100 -0.553 0.000 0.785 45 P CB 0.161 31.272 31.700 -0.981 0.000 0.874 46 E N 3.691 123.890 120.200 -0.001 0.000 2.156 46 E HA 0.272 4.780 4.350 0.264 0.000 0.279 46 E C -1.327 175.492 176.600 0.364 0.000 0.965 46 E CA -2.370 54.149 56.400 0.198 0.000 0.789 46 E CB 2.988 32.768 29.700 0.133 0.000 1.098 46 E HN 0.325 8.650 8.360 -0.059 0.000 0.397 47 W N 8.431 129.961 121.300 0.383 0.000 2.446 47 W HA -0.077 4.828 4.660 0.408 0.000 0.316 47 W C -0.761 175.936 176.519 0.297 0.000 1.376 47 W CA 1.571 59.168 57.345 0.420 0.000 1.300 47 W CB 0.088 29.887 29.460 0.566 0.000 1.351 47 W HN 0.664 9.266 8.180 0.704 0.000 0.530 48 M N 6.586 126.182 119.600 -0.007 0.000 2.299 48 M HA -0.047 4.486 4.480 0.087 0.000 0.264 48 M C -0.358 175.750 176.300 -0.320 0.000 1.095 48 M CA 2.420 57.682 55.300 -0.062 0.000 1.165 48 M CB 1.418 34.018 32.600 -0.001 0.000 1.349 48 M HN 0.462 8.699 8.290 -0.088 0.000 0.446 49 G N -6.064 102.223 108.800 -0.854 0.000 2.451 49 G HA2 0.292 3.475 3.960 -1.413 0.000 0.292 49 G HA3 0.292 4.120 3.960 -0.233 -0.008 0.292 49 G C -3.476 170.986 174.900 -0.730 0.000 1.427 49 G CA 0.371 44.913 45.100 -0.930 0.000 0.792 49 G HN -0.785 6.955 8.290 -0.916 0.000 0.498 50 R N 0.020 120.341 120.500 -0.299 0.000 2.514 50 R HA 0.635 5.183 4.340 0.080 -0.160 0.296 50 R C -1.723 174.613 176.300 0.060 0.000 1.012 50 R CA -1.224 54.909 56.100 0.056 0.000 0.897 50 R CB 4.148 34.659 30.300 0.353 0.000 1.184 50 R HN 0.782 8.754 8.270 -0.319 0.107 0.440 51 M N 9.176 128.844 119.600 0.114 0.000 2.156 51 M HA -0.012 4.735 4.480 0.093 -0.212 0.345 51 M C -1.392 175.057 176.300 0.248 0.000 1.398 51 M CA 0.639 56.024 55.300 0.141 0.000 1.148 51 M CB 0.620 33.294 32.600 0.124 0.000 1.663 51 M HN 0.071 8.463 8.290 0.170 0.000 0.464 52 W N 7.900 129.225 121.300 0.042 0.000 1.870 52 W HA 0.049 4.653 4.660 -0.094 0.000 0.428 52 W C 0.153 176.713 176.519 0.069 0.000 1.853 52 W CA -0.898 56.425 57.345 -0.037 0.000 2.054 52 W CB 1.388 30.780 29.460 -0.113 0.000 1.431 52 W HN 0.439 8.746 8.180 0.378 0.100 0.739 53 Y N -0.100 119.839 120.300 -0.601 0.000 2.070 53 Y HA -0.437 4.074 4.550 -0.281 -0.130 0.280 53 Y C 2.062 177.814 175.900 -0.246 0.000 1.148 53 Y CA 2.111 59.913 58.100 -0.495 0.000 1.125 53 Y CB -1.157 36.819 38.460 -0.806 0.000 0.975 53 Y HN 0.170 7.200 8.280 -2.083 0.000 0.492 54 D N -3.863 116.497 120.400 -0.066 0.000 2.091 54 D HA -0.109 4.534 4.640 0.004 0.000 0.199 54 D C 1.166 177.510 176.300 0.074 0.000 0.980 54 D CA 1.429 55.438 54.000 0.016 0.000 0.831 54 D CB 0.104 40.920 40.800 0.028 0.000 0.987 54 D HN 0.036 8.289 8.370 -0.194 0.000 0.460 55 G N -1.320 107.562 108.800 0.136 0.000 3.250 55 G HA2 -0.160 3.875 3.960 0.126 0.000 0.235 55 G HA3 -0.160 3.860 3.960 0.100 0.000 0.235 55 G C -2.272 172.745 174.900 0.195 0.000 3.899 55 G CA -0.327 44.857 45.100 0.140 0.000 0.435 55 G HN -0.292 8.104 8.290 0.176 0.000 0.310 56 Y N 1.787 122.156 120.300 0.116 0.000 2.329 56 Y HA 0.159 4.735 4.550 0.043 0.000 0.328 56 Y C -1.436 174.461 175.900 -0.004 0.000 0.992 56 Y CA -0.907 57.237 58.100 0.074 0.000 1.151 56 Y CB 2.497 41.030 38.460 0.121 0.000 1.150 56 Y HN -0.539 7.927 8.280 0.310 0.000 0.450 57 T N 5.948 120.317 114.554 -0.308 0.000 2.863 57 T HA 0.031 4.315 4.350 -0.314 -0.122 0.299 57 T C -0.792 173.526 174.700 -0.637 0.000 0.973 57 T CA -0.929 60.894 62.100 -0.462 0.000 0.994 57 T CB -0.539 68.040 68.868 -0.482 0.000 0.961 57 T HN 0.228 8.192 8.240 -0.459 0.000 0.552 58 A N 7.838 130.498 122.820 -0.267 0.000 2.331 58 A HA 0.314 4.678 4.320 0.074 0.000 0.283 58 A C -2.011 175.481 177.584 -0.154 0.000 1.142 58 A CA -0.351 51.650 52.037 -0.061 0.000 0.812 58 A CB 1.750 20.820 19.000 0.115 0.000 1.074 58 A HN 0.345 8.419 8.150 -0.127 0.000 0.497 59 Y N -0.391 120.029 120.300 0.200 0.000 2.609 59 Y HA 0.299 4.991 4.550 0.005 -0.140 0.342 59 Y C 0.109 176.187 175.900 0.297 0.000 1.058 59 Y CA -2.273 55.912 58.100 0.142 0.000 1.055 59 Y CB 3.709 42.193 38.460 0.039 0.000 1.292 59 Y HN 0.026 8.454 8.280 0.247 0.000 0.476 60 N N 1.346 120.323 118.700 0.462 0.000 2.492 60 N HA -0.113 4.893 4.740 0.443 0.000 0.262 60 N C -0.091 175.549 175.510 0.217 0.000 1.202 60 N CA 0.556 53.827 53.050 0.368 0.000 0.926 60 N CB 1.533 40.212 38.487 0.320 0.000 1.078 60 N HN -0.118 8.488 8.380 0.377 0.000 0.454 61 S N 4.928 120.734 115.700 0.178 0.000 2.383 61 S HA -0.240 4.294 4.470 0.106 0.000 0.229 61 S C 0.763 175.409 174.600 0.077 0.000 1.030 61 S CA 3.215 61.482 58.200 0.112 0.000 1.002 61 S CB 0.120 63.376 63.200 0.093 0.000 0.829 61 S HN 0.498 8.928 8.310 0.201 0.000 0.467 62 A N 0.259 123.127 122.820 0.080 0.000 1.854 62 A HA -0.071 4.272 4.320 0.039 0.000 0.214 62 A C 0.409 178.010 177.584 0.029 0.000 1.192 62 A CA 1.730 53.799 52.037 0.053 0.000 0.611 62 A CB 0.221 19.258 19.000 0.061 0.000 0.832 62 A HN -0.486 7.965 8.150 0.110 -0.234 0.442 63 L N -1.733 119.512 121.223 0.036 0.000 2.422 63 L HA 0.030 4.341 4.340 -0.048 0.000 0.256 63 L C -1.446 175.367 176.870 -0.094 0.000 1.202 63 L CA -0.730 54.095 54.840 -0.026 0.000 1.119 63 L CB -1.930 40.124 42.059 -0.009 0.000 1.383 63 L HN -0.565 7.977 8.230 0.079 -0.263 0.411 64 K N 2.263 122.600 120.400 -0.105 0.000 2.323 64 K HA -0.030 4.186 4.320 -0.174 0.000 0.232 64 K C 1.872 178.311 176.600 -0.267 0.000 1.068 64 K CA 1.889 58.090 56.287 -0.144 0.000 0.892 64 K CB 0.804 33.296 32.500 -0.013 0.000 1.207 64 K HN -0.756 7.392 8.250 -0.055 0.069 0.456 65 S N -1.233 114.373 115.700 -0.157 0.000 2.555 65 S HA -0.156 4.214 4.470 -0.167 0.000 0.230 65 S C 1.469 175.967 174.600 -0.170 0.000 0.978 65 S CA 1.790 59.899 58.200 -0.151 0.000 0.934 65 S CB -1.189 61.962 63.200 -0.082 0.000 0.766 65 S HN 0.345 8.597 8.310 -0.097 0.000 0.533 66 R N -0.395 119.996 120.500 -0.181 0.000 2.096 66 R HA -0.215 4.041 4.340 -0.140 0.000 0.235 66 R C -0.704 175.449 176.300 -0.246 0.000 1.127 66 R CA 1.949 57.941 56.100 -0.180 0.000 0.968 66 R CB 0.271 30.483 30.300 -0.147 0.000 0.861 66 R HN 0.042 8.128 8.270 -0.186 0.072 0.440 67 L N -2.047 118.937 121.223 -0.399 0.000 2.264 67 L HA 0.261 4.535 4.340 -0.318 -0.124 0.289 67 L C -0.726 175.912 176.870 -0.387 0.000 1.044 67 L CA -0.616 53.944 54.840 -0.466 0.000 0.807 67 L CB 0.838 42.479 42.059 -0.697 0.000 1.192 67 L HN -0.675 7.229 8.230 -0.475 0.040 0.425 68 S N 5.289 120.887 115.700 -0.171 0.000 2.667 68 S HA 0.409 4.906 4.470 0.045 0.000 0.304 68 S C -0.951 173.653 174.600 0.007 0.000 1.135 68 S CA -1.142 57.037 58.200 -0.036 0.000 1.125 68 S CB 0.912 64.072 63.200 -0.068 0.000 0.996 68 S HN 0.568 8.765 8.310 -0.189 0.000 0.474 69 I N 10.395 131.028 120.570 0.105 0.000 2.294 69 I HA 0.275 4.697 4.170 0.030 -0.234 0.295 69 I C 0.282 176.444 176.117 0.076 0.000 1.098 69 I CA -0.228 61.115 61.300 0.072 0.000 1.277 69 I CB 0.011 38.062 38.000 0.085 0.000 1.434 69 I HN 0.179 8.537 8.210 0.246 0.000 0.498 70 S N 9.151 124.900 115.700 0.083 0.000 2.632 70 S HA 0.248 4.758 4.470 0.067 0.000 0.271 70 S C -1.263 173.480 174.600 0.238 0.000 1.260 70 S CA -0.413 57.845 58.200 0.096 0.000 1.010 70 S CB 1.624 64.817 63.200 -0.012 0.000 0.965 70 S HN 0.069 8.434 8.310 0.092 0.000 0.534 71 R N -1.317 119.312 120.500 0.215 0.000 2.548 71 R HA 0.556 5.296 4.340 0.425 -0.146 0.280 71 R C -1.297 175.132 176.300 0.214 0.000 1.061 71 R CA -1.041 55.217 56.100 0.263 0.000 0.915 71 R CB 3.539 33.937 30.300 0.163 0.000 1.210 71 R HN 0.161 8.509 8.270 0.129 0.000 0.442 72 D N 4.859 125.428 120.400 0.283 0.000 2.456 72 D HA 0.339 5.051 4.640 0.121 0.000 0.219 72 D C -0.007 176.337 176.300 0.073 0.000 1.126 72 D CA -1.618 52.489 54.000 0.178 0.000 0.890 72 D CB 0.636 41.599 40.800 0.273 0.000 1.025 72 D HN 0.375 8.946 8.370 0.335 0.000 0.511 73 T N 6.479 121.056 114.554 0.040 0.000 2.915 73 T HA -0.230 4.101 4.350 -0.032 0.000 0.269 73 T C 1.133 175.822 174.700 -0.018 0.000 1.071 73 T CA 3.251 65.349 62.100 -0.003 0.000 1.132 73 T CB 0.109 68.980 68.868 0.005 0.000 0.878 73 T HN 0.110 8.383 8.240 0.054 0.000 0.479 74 S N 1.147 116.847 115.700 -0.000 0.000 2.368 74 S HA -0.084 4.377 4.470 -0.014 0.000 0.224 74 S C 1.026 175.619 174.600 -0.012 0.000 1.029 74 S CA 2.599 60.795 58.200 -0.006 0.000 0.988 74 S CB -0.146 63.056 63.200 0.004 0.000 0.838 74 S HN -0.243 8.150 8.310 0.016 -0.074 0.462 75 K N -1.059 119.343 120.400 0.003 0.000 2.487 75 K HA 0.023 4.334 4.320 -0.014 0.000 0.192 75 K C -0.710 175.857 176.600 -0.055 0.000 1.027 75 K CA -0.431 55.851 56.287 -0.007 0.000 1.054 75 K CB 0.015 32.538 32.500 0.039 0.000 0.824 75 K HN -0.679 7.837 8.250 0.024 -0.252 0.510 76 N N -5.482 113.166 118.700 -0.086 0.000 2.754 76 N HA -0.357 4.266 4.740 -0.194 0.000 0.248 76 N C -2.101 173.290 175.510 -0.198 0.000 1.093 76 N CA 1.371 54.321 53.050 -0.168 0.000 0.699 76 N CB -2.108 36.263 38.487 -0.194 0.000 1.016 76 N HN -0.265 7.994 8.380 -0.062 0.084 0.552 77 Q N -2.903 116.792 119.800 -0.175 0.000 2.327 77 Q HA 0.549 4.891 4.340 -0.345 -0.210 0.270 77 Q C -1.382 174.430 176.000 -0.313 0.000 1.022 77 Q CA -1.200 54.396 55.803 -0.346 0.000 0.773 77 Q CB 3.558 31.980 28.738 -0.527 0.000 1.251 77 Q HN -0.453 7.763 8.270 -0.090 0.000 0.457 78 V N 4.145 123.928 119.914 -0.218 0.000 2.364 78 V HA 0.076 4.264 4.120 0.113 0.000 0.272 78 V C -1.309 174.802 176.094 0.028 0.000 1.036 78 V CA -0.678 61.646 62.300 0.040 0.000 0.880 78 V CB 0.118 32.078 31.823 0.228 0.000 0.991 78 V HN 0.408 8.365 8.190 -0.217 0.103 0.460 79 F N 7.618 127.631 119.950 0.105 0.000 2.293 79 F HA 0.212 4.873 4.527 0.008 -0.130 0.370 79 F C -1.313 174.402 175.800 -0.143 0.000 1.090 79 F CA -1.430 56.568 58.000 -0.004 0.000 1.133 79 F CB 0.373 39.360 39.000 -0.022 0.000 1.360 79 F HN 0.878 9.406 8.300 0.380 0.000 0.489 80 L N 5.049 126.110 121.223 -0.271 0.000 2.363 80 L HA 0.145 4.268 4.340 -0.362 0.000 0.286 80 L C -1.774 174.897 176.870 -0.332 0.000 1.106 80 L CA -0.600 53.923 54.840 -0.528 0.000 0.859 80 L CB 0.394 41.639 42.059 -1.356 0.000 1.223 80 L HN 0.632 8.679 8.230 -0.304 0.000 0.446 81 K N 9.060 129.344 120.400 -0.194 0.000 2.250 81 K HA 0.140 4.499 4.320 -0.149 -0.129 0.285 81 K C -1.014 175.473 176.600 -0.187 0.000 1.097 81 K CA -0.755 55.437 56.287 -0.157 0.000 0.913 81 K CB 0.126 32.563 32.500 -0.104 0.000 1.179 81 K HN 0.423 8.588 8.250 -0.143 0.000 0.462 82 M N 8.861 128.338 119.600 -0.206 0.000 2.261 82 M HA 0.149 4.621 4.480 -0.206 -0.116 0.349 82 M C -1.104 175.108 176.300 -0.146 0.000 1.305 82 M CA -0.091 55.091 55.300 -0.196 0.000 1.240 82 M CB -0.489 31.976 32.600 -0.225 0.000 1.394 82 M HN 0.768 8.828 8.290 -0.220 0.098 0.438 83 N N 4.500 123.121 118.700 -0.132 0.000 2.524 83 N HA 0.111 4.795 4.740 -0.093 0.000 0.283 83 N C -0.007 175.452 175.510 -0.085 0.000 1.142 83 N CA -0.036 52.953 53.050 -0.102 0.000 0.984 83 N CB 1.809 40.237 38.487 -0.097 0.000 1.155 83 N HN 0.316 8.506 8.380 -0.151 0.099 0.467 84 S N -2.183 113.476 115.700 -0.067 0.000 3.829 84 S HA -0.502 4.122 4.470 -0.045 -0.181 0.461 84 S C -1.197 173.376 174.600 -0.046 0.000 0.849 84 S CA 0.436 58.605 58.200 -0.052 0.000 1.323 84 S CB -1.445 61.726 63.200 -0.048 0.000 0.872 84 S HN 0.137 8.408 8.310 -0.066 0.000 0.613 85 L N 1.321 122.518 121.223 -0.044 0.000 2.410 85 L HA -0.095 4.221 4.340 -0.040 0.000 0.273 85 L C 0.034 176.893 176.870 -0.018 0.000 1.144 85 L CA 0.463 55.281 54.840 -0.036 0.000 0.863 85 L CB 0.393 42.427 42.059 -0.042 0.000 1.140 85 L HN -0.689 7.511 8.230 -0.049 0.000 0.463 86 Q N 5.357 125.153 119.800 -0.006 0.000 2.222 86 Q HA 0.315 4.654 4.340 -0.002 0.000 0.252 86 Q C 1.323 177.331 176.000 0.014 0.000 0.926 86 Q CA -1.438 54.367 55.803 0.003 0.000 0.899 86 Q CB 2.838 31.580 28.738 0.006 0.000 1.250 86 Q HN -0.106 8.293 8.270 -0.007 -0.133 0.441 87 T N 2.233 116.794 114.554 0.012 0.000 2.778 87 T HA -0.346 4.154 4.350 0.015 -0.141 0.269 87 T C 0.897 175.611 174.700 0.023 0.000 1.050 87 T CA 3.687 65.796 62.100 0.016 0.000 1.137 87 T CB -0.230 68.645 68.868 0.011 0.000 0.860 87 T HN 0.498 8.742 8.240 0.007 0.000 0.468 88 D N 1.236 121.651 120.400 0.025 0.000 2.363 88 D HA -0.058 4.598 4.640 0.027 0.000 0.226 88 D C 0.250 176.575 176.300 0.042 0.000 1.020 88 D CA 2.173 56.191 54.000 0.029 0.000 0.892 88 D CB -0.573 40.242 40.800 0.025 0.000 0.900 88 D HN 0.086 8.469 8.370 0.021 0.000 0.531 89 D N -0.118 120.318 120.400 0.061 0.000 2.663 89 D HA 0.135 4.834 4.640 0.098 0.000 0.243 89 D C -1.003 175.386 176.300 0.149 0.000 1.218 89 D CA -0.636 53.431 54.000 0.111 0.000 0.846 89 D CB -1.093 39.785 40.800 0.130 0.000 1.014 89 D HN -0.237 8.093 8.370 0.050 0.070 0.476 90 T N 3.249 117.854 114.554 0.085 0.000 2.752 90 T HA 0.163 4.781 4.350 0.124 -0.194 0.295 90 T C -0.615 174.095 174.700 0.017 0.000 0.923 90 T CA 1.961 64.107 62.100 0.077 0.000 1.112 90 T CB 0.004 68.900 68.868 0.046 0.000 0.884 90 T HN -0.604 7.566 8.240 0.057 0.104 0.525 91 G N 4.774 113.567 108.800 -0.012 0.000 2.576 91 G HA2 0.405 4.287 3.960 -0.129 0.000 0.290 91 G HA3 0.405 4.101 3.960 -0.440 0.000 0.290 91 G C -3.255 171.478 174.900 -0.279 0.000 1.442 91 G CA 0.369 45.333 45.100 -0.227 0.000 0.792 91 G HN 0.191 8.567 8.290 0.144 0.000 0.491 92 T N 2.296 116.661 114.554 -0.316 0.000 2.723 92 T HA 0.288 4.678 4.350 -0.200 -0.159 0.297 92 T C -1.009 173.391 174.700 -0.500 0.000 0.925 92 T CA -1.301 60.587 62.100 -0.353 0.000 1.030 92 T CB 0.315 68.953 68.868 -0.384 0.000 0.905 92 T HN 0.107 8.185 8.240 -0.269 0.000 0.502 93 Y N 8.176 128.351 120.300 -0.207 0.000 2.367 93 Y HA 0.167 4.739 4.550 0.036 0.000 0.342 93 Y C -0.615 175.266 175.900 -0.032 0.000 0.979 93 Y CA -0.565 57.512 58.100 -0.038 0.000 1.161 93 Y CB 0.814 39.312 38.460 0.063 0.000 1.155 93 Y HN 0.446 8.647 8.280 0.055 0.113 0.503 94 Y N 2.969 123.410 120.300 0.235 0.000 2.387 94 Y HA 0.450 5.229 4.550 0.092 -0.174 0.330 94 Y C -0.245 175.561 175.900 -0.156 0.000 1.133 94 Y CA -1.197 56.959 58.100 0.092 0.000 1.152 94 Y CB 3.298 41.863 38.460 0.175 0.000 1.215 94 Y HN 0.880 9.366 8.280 0.345 0.000 0.466 95 C N 1.220 120.369 119.300 -0.252 0.000 2.345 95 C HA 0.791 4.766 4.460 -1.054 -0.148 0.323 95 C C -0.938 173.722 174.990 -0.550 0.000 1.276 95 C CA -3.069 55.476 59.018 -0.789 0.000 1.543 95 C CB 2.021 29.044 27.740 -1.196 0.000 2.211 95 C HN 0.361 8.790 8.230 -0.014 -0.207 0.493 96 T N 8.967 123.084 114.554 -0.727 0.000 2.809 96 T HA 0.374 4.562 4.350 -0.564 -0.176 0.284 96 T C -1.164 173.217 174.700 -0.532 0.000 0.992 96 T CA -0.517 61.109 62.100 -0.789 0.000 0.957 96 T CB 2.047 69.987 68.868 -1.546 0.000 0.942 96 T HN 1.066 8.691 8.240 -0.844 0.108 0.439 97 R N 6.977 127.313 120.500 -0.273 0.000 2.594 97 R HA -0.011 4.230 4.340 -0.166 0.000 0.272 97 R C -0.975 175.303 176.300 -0.037 0.000 1.074 97 R CA 0.151 56.129 56.100 -0.203 0.000 1.105 97 R CB 1.532 31.631 30.300 -0.335 0.000 1.008 97 R HN 0.489 8.540 8.270 -0.181 0.110 0.472 98 D N 3.288 123.763 120.400 0.124 0.000 2.362 98 D HA -0.030 5.117 4.640 0.565 -0.168 0.242 98 D C 0.616 176.988 176.300 0.120 0.000 1.132 98 D CA 1.764 55.962 54.000 0.329 0.000 0.907 98 D CB 1.291 42.379 40.800 0.479 0.000 1.195 98 D HN -0.286 8.140 8.370 0.093 0.000 0.429 99 L N 1.969 123.173 121.223 -0.031 0.000 2.131 99 L HA -0.173 4.142 4.340 -0.311 -0.162 0.206 99 L C 0.458 177.389 176.870 0.103 0.000 1.087 99 L CA 1.795 56.480 54.840 -0.259 0.000 0.767 99 L CB 1.059 42.587 42.059 -0.886 0.000 0.917 99 L HN 0.432 8.536 8.230 -0.001 0.125 0.441 100 Y N -2.421 117.738 120.300 -0.235 0.000 2.316 100 Y HA 0.086 4.267 4.550 -0.614 0.000 0.331 100 Y C 0.340 175.880 175.900 -0.600 0.000 1.083 100 Y CA -1.879 55.869 58.100 -0.587 0.000 1.206 100 Y CB 0.467 38.347 38.460 -0.967 0.000 1.195 100 Y HN -0.557 7.934 8.280 -0.079 -0.258 0.497 101 G N 2.416 110.685 108.800 -0.886 0.000 2.800 101 G HA2 0.105 3.236 3.960 -1.527 0.000 0.340 101 G HA3 0.105 3.013 3.960 -1.753 0.000 0.340 101 G C -0.304 173.970 174.900 -1.043 0.000 1.089 101 G CA -1.192 43.096 45.100 -1.354 0.000 1.144 101 G HN 0.407 8.218 8.290 -0.799 0.000 0.461 102 G N 7.229 115.090 108.800 -1.566 0.000 2.640 102 G HA2 -0.369 2.685 3.960 -1.511 0.000 0.226 102 G HA3 -0.369 3.175 3.960 -0.694 0.000 0.226 102 G C -0.673 173.735 174.900 -0.820 0.000 1.222 102 G CA 0.361 44.706 45.100 -1.258 0.000 0.729 102 G HN -0.076 6.905 8.290 -2.181 0.000 0.516 103 Y N 0.669 120.632 120.300 -0.562 0.000 2.436 103 Y HA 0.262 4.700 4.550 -0.186 0.000 0.343 103 Y C -2.285 173.588 175.900 -0.045 0.000 1.008 103 Y CA -4.265 53.661 58.100 -0.290 0.000 1.241 103 Y CB -0.172 38.074 38.460 -0.357 0.000 1.153 103 Y HN -0.704 7.100 8.280 -0.629 0.098 0.521 104 P HA -0.006 4.944 4.420 0.884 0.000 0.224 104 P C -1.046 176.611 177.300 0.595 0.000 1.157 104 P CA 0.204 63.687 63.100 0.638 0.000 0.799 104 P CB 0.296 32.435 31.700 0.731 0.000 0.809 105 L N -3.994 117.471 121.223 0.403 0.000 2.597 105 L HA 0.035 4.582 4.340 0.346 0.000 0.271 105 L C 0.201 177.354 176.870 0.472 0.000 1.157 105 L CA 0.526 55.587 54.840 0.368 0.000 0.928 105 L CB -1.327 40.867 42.059 0.226 0.000 1.216 105 L HN -0.561 7.845 8.230 0.293 0.000 0.481 106 G N 3.686 112.734 108.800 0.414 0.000 2.546 106 G HA2 -0.414 3.749 3.960 0.338 0.000 0.285 106 G HA3 -0.414 3.750 3.960 0.339 0.000 0.285 106 G C -0.806 174.268 174.900 0.289 0.000 1.105 106 G CA -0.368 44.954 45.100 0.371 0.000 1.189 106 G HN 0.317 8.838 8.290 0.385 0.000 0.534 107 F N 1.137 121.131 119.950 0.073 0.000 2.519 107 F HA -0.201 4.031 4.527 -0.492 0.000 0.375 107 F C -0.402 175.121 175.800 -0.461 0.000 1.084 107 F CA -0.144 57.661 58.000 -0.324 0.000 1.147 107 F CB 0.570 39.352 39.000 -0.363 0.000 1.088 107 F HN -0.186 8.375 8.300 0.436 0.000 0.555 108 W N 6.904 127.406 121.300 -1.331 0.000 2.425 108 W HA -0.384 3.649 4.660 -1.045 0.000 0.277 108 W C -0.758 175.453 176.519 -0.513 0.000 1.231 108 W CA 1.273 58.003 57.345 -1.024 0.000 1.248 108 W CB 0.797 29.568 29.460 -1.148 0.000 1.117 108 W HN 0.141 7.034 8.180 -2.144 0.000 0.568 109 Y N -7.829 112.299 120.300 -0.287 0.000 2.902 109 Y HA -0.518 4.001 4.550 -0.052 0.000 0.465 109 Y C -1.466 174.328 175.900 -0.177 0.000 1.207 109 Y CA 2.334 60.266 58.100 -0.280 0.000 2.483 109 Y CB -1.007 37.181 38.460 -0.454 0.000 1.237 109 Y HN -0.483 7.271 8.280 -0.791 0.051 0.632 110 F N -1.782 118.289 119.950 0.201 0.000 2.556 110 F HA 0.470 5.186 4.527 0.054 -0.156 0.314 110 F C -0.128 175.721 175.800 0.082 0.000 1.106 110 F CA -2.194 55.899 58.000 0.155 0.000 0.911 110 F CB 3.220 42.400 39.000 0.300 0.000 1.190 110 F HN -0.077 8.324 8.300 0.167 0.000 0.448 111 D N 1.539 122.043 120.400 0.173 0.000 3.136 111 D HA 0.051 4.762 4.640 0.118 0.000 0.254 111 D C -0.478 175.934 176.300 0.186 0.000 1.563 111 D CA 0.314 54.367 54.000 0.088 0.000 1.225 111 D CB 0.623 41.355 40.800 -0.113 0.000 1.079 111 D HN 0.478 8.941 8.370 0.154 0.000 0.314 112 F N 1.920 121.856 119.950 -0.023 0.000 2.423 112 F HA 0.195 4.771 4.527 0.081 0.000 0.356 112 F C -0.941 174.866 175.800 0.012 0.000 1.170 112 F CA -0.899 57.104 58.000 0.005 0.000 1.163 112 F CB -0.157 38.791 39.000 -0.088 0.000 1.318 112 F HN -0.351 8.008 8.300 0.099 0.000 0.569 113 W N 7.329 128.601 121.300 -0.046 0.000 2.368 113 W HA -0.021 4.721 4.660 -0.059 -0.117 0.316 113 W C 0.573 177.144 176.519 0.087 0.000 1.375 113 W CA 0.291 57.603 57.345 -0.054 0.000 1.261 113 W CB -0.377 28.956 29.460 -0.212 0.000 1.298 113 W HN -0.408 7.990 8.180 0.364 0.000 0.539 114 G N 4.132 113.131 108.800 0.332 0.000 2.716 114 G HA2 -0.008 4.195 3.960 0.405 0.000 0.251 114 G HA3 -0.008 4.261 3.960 0.200 -0.190 0.251 114 G C -1.550 173.551 174.900 0.336 0.000 1.224 114 G CA -0.878 44.412 45.100 0.317 0.000 0.891 114 G HN 0.183 8.575 8.290 0.171 0.000 0.561 115 P HA -0.157 4.384 4.420 0.202 0.000 0.234 115 P C -0.734 176.631 177.300 0.109 0.000 1.167 115 P CA 0.132 63.340 63.100 0.179 0.000 0.763 115 P CB 0.427 32.193 31.700 0.110 0.000 0.835 116 G N -0.521 108.282 108.800 0.005 0.000 3.129 116 G HA2 -0.366 3.374 3.960 -0.646 0.000 0.385 116 G HA3 -0.366 3.158 3.960 -0.727 0.000 0.385 116 G C -0.615 174.181 174.900 -0.173 0.000 1.046 116 G CA -0.202 44.651 45.100 -0.412 0.000 0.933 116 G HN -0.714 7.875 8.290 0.170 -0.197 0.424 117 T N 5.367 119.893 114.554 -0.046 0.000 2.738 117 T HA -0.015 4.342 4.350 0.011 0.000 0.293 117 T C -0.464 174.277 174.700 0.068 0.000 0.913 117 T CA 0.412 62.532 62.100 0.034 0.000 1.103 117 T CB 0.514 69.430 68.868 0.080 0.000 0.880 117 T HN 0.180 8.409 8.240 -0.019 0.000 0.526 118 M N 11.587 131.201 119.600 0.023 0.000 2.455 118 M HA 0.039 4.724 4.480 0.020 -0.193 0.331 118 M C -1.865 174.485 176.300 0.083 0.000 1.481 118 M CA -0.942 54.377 55.300 0.032 0.000 1.362 118 M CB -0.244 32.349 32.600 -0.012 0.000 1.564 118 M HN 0.561 8.849 8.290 -0.004 0.000 0.458 119 V N 9.287 129.308 119.914 0.179 0.000 2.357 119 V HA 0.273 4.579 4.120 0.072 -0.142 0.284 119 V C -0.690 175.495 176.094 0.151 0.000 1.018 119 V CA -1.594 60.790 62.300 0.141 0.000 0.841 119 V CB 1.031 32.899 31.823 0.075 0.000 0.991 119 V HN 0.757 9.120 8.190 0.287 0.000 0.437 120 T N 10.446 125.047 114.554 0.077 0.000 2.855 120 T HA 0.003 4.397 4.350 0.074 0.000 0.290 120 T C -1.303 173.426 174.700 0.049 0.000 0.941 120 T CA 0.166 62.303 62.100 0.061 0.000 1.030 120 T CB -0.888 68.001 68.868 0.035 0.000 0.935 120 T HN 0.950 9.103 8.240 0.053 0.119 0.564 121 V N 9.976 129.930 119.914 0.066 0.000 2.008 121 V HA 0.125 4.431 4.120 0.015 -0.177 0.262 121 V C -1.300 174.811 176.094 0.029 0.000 1.580 121 V CA -1.085 61.237 62.300 0.038 0.000 1.515 121 V CB -2.694 29.157 31.823 0.047 0.000 1.474 121 V HN -0.155 8.101 8.190 0.109 0.000 0.504 122 S N 2.175 117.887 115.700 0.020 0.000 2.481 122 S HA 0.032 4.511 4.470 0.014 0.000 0.262 122 S C -1.095 173.511 174.600 0.011 0.000 1.061 122 S CA 0.398 58.608 58.200 0.017 0.000 1.039 122 S CB 1.418 64.631 63.200 0.022 0.000 1.170 122 S HN -0.425 7.829 8.310 0.019 0.067 0.437 123 S N 8.151 123.855 115.700 0.006 0.000 4.139 123 S HA 0.046 4.519 4.470 0.003 0.000 0.215 123 S C 0.046 174.649 174.600 0.005 0.000 1.390 123 S CA 0.546 58.748 58.200 0.004 0.000 0.885 123 S CB -1.986 61.214 63.200 0.000 0.000 1.560 123 S HN 0.591 8.904 8.310 0.006 0.000 0.449 124 G N 5.753 114.557 108.800 0.006 0.000 3.026 124 G HA2 -0.199 3.765 3.960 0.006 0.000 0.252 124 G HA3 -0.199 3.764 3.960 0.005 0.000 0.252 124 G C -1.207 173.698 174.900 0.008 0.000 1.070 124 G CA -0.085 45.019 45.100 0.007 0.000 1.183 124 G HN -0.088 8.135 8.290 0.008 0.072 0.571 125 G N -0.049 108.758 108.800 0.010 0.000 3.594 125 G HA2 0.043 4.009 3.960 0.011 0.000 0.107 125 G HA3 0.043 4.010 3.960 0.012 0.000 0.107 125 G C -0.164 174.745 174.900 0.014 0.000 1.307 125 G CA 0.856 45.964 45.100 0.012 0.000 1.089 125 G HN -0.002 8.295 8.290 0.011 0.000 0.364 126 G N 3.665 112.475 108.800 0.017 0.000 5.347 126 G HA2 -0.304 3.670 3.960 0.024 0.000 0.299 126 G HA3 -0.304 3.667 3.960 0.018 0.000 0.299 126 G C -0.566 174.347 174.900 0.021 0.000 1.492 126 G CA 0.688 45.800 45.100 0.020 0.000 0.991 126 G HN -0.199 8.101 8.290 0.017 0.000 0.749 127 G N 0.788 109.599 108.800 0.019 0.000 3.958 127 G HA2 0.056 4.028 3.960 0.021 0.000 0.127 127 G HA3 0.056 4.029 3.960 0.022 0.000 0.127 127 G C -2.093 172.818 174.900 0.019 0.000 1.260 127 G CA 0.173 45.285 45.100 0.020 0.000 1.105 127 G HN -0.426 7.874 8.290 0.017 0.000 0.431 128 S N 0.173 115.884 115.700 0.018 0.000 2.547 128 S HA 0.285 4.764 4.470 0.016 0.000 0.281 128 S C -0.623 173.985 174.600 0.014 0.000 1.118 128 S CA -0.375 57.836 58.200 0.017 0.000 0.947 128 S CB 2.014 65.226 63.200 0.020 0.000 1.053 128 S HN -0.207 8.114 8.310 0.018 0.000 0.482 129 G N 0.668 109.476 108.800 0.013 0.000 2.561 129 G HA2 0.225 4.348 3.960 0.011 0.000 0.310 129 G HA3 0.225 4.191 3.960 0.010 0.000 0.310 129 G C -2.226 172.680 174.900 0.010 0.000 1.292 129 G CA 0.044 45.151 45.100 0.011 0.000 0.811 129 G HN -0.108 8.190 8.290 0.013 0.000 0.482 130 G N -1.992 106.813 108.800 0.009 0.000 2.168 130 G HA2 -0.070 3.895 3.960 0.008 0.000 0.066 130 G HA3 -0.070 3.895 3.960 0.008 0.000 0.066 130 G C -1.436 173.468 174.900 0.007 0.000 0.769 130 G CA 0.826 45.930 45.100 0.008 0.000 1.176 130 G HN -0.034 8.261 8.290 0.008 0.000 0.423 131 G N 1.512 110.316 108.800 0.006 0.000 3.627 131 G HA2 0.180 4.143 3.960 0.005 0.000 0.295 131 G HA3 0.180 4.143 3.960 0.005 0.000 0.295 131 G C 0.523 175.426 174.900 0.006 0.000 2.784 131 G CA 0.300 45.403 45.100 0.006 0.000 0.644 131 G HN -0.002 8.292 8.290 0.007 0.000 0.341 132 G N 6.799 115.602 108.800 0.006 0.000 5.426 132 G HA2 -0.378 3.585 3.960 0.005 0.000 0.297 132 G HA3 -0.378 3.585 3.960 0.005 0.000 0.297 132 G C 0.453 175.357 174.900 0.006 0.000 1.422 132 G CA 0.515 45.618 45.100 0.006 0.000 0.938 132 G HN 0.444 8.738 8.290 0.006 0.000 0.754 133 S N 5.640 121.344 115.700 0.007 0.000 3.483 133 S HA 0.069 4.730 4.470 0.008 -0.186 0.274 133 S C 0.281 174.886 174.600 0.008 0.000 1.289 133 S CA -0.612 57.593 58.200 0.008 0.000 0.938 133 S CB -0.535 62.669 63.200 0.007 0.000 1.453 133 S HN -0.179 8.088 8.310 0.006 0.047 0.494 134 G N 1.690 110.495 108.800 0.009 0.000 2.167 134 G HA2 0.039 4.005 3.960 0.011 0.000 0.300 134 G HA3 0.039 4.073 3.960 0.009 -0.068 0.300 134 G C -2.127 172.779 174.900 0.011 0.000 1.842 134 G CA 0.497 45.603 45.100 0.010 0.000 1.035 134 G HN -0.661 7.634 8.290 0.009 0.000 0.489 135 G N 0.867 109.675 108.800 0.013 0.000 1.875 135 G HA2 -0.070 3.899 3.960 0.015 0.000 0.218 135 G HA3 -0.070 3.898 3.960 0.013 0.000 0.218 135 G C -1.757 173.154 174.900 0.018 0.000 1.648 135 G CA 0.653 45.762 45.100 0.015 0.000 0.941 135 G HN -0.095 8.203 8.290 0.013 0.000 0.689 136 G N 1.685 110.498 108.800 0.021 0.000 1.834 136 G HA2 -0.026 3.950 3.960 0.028 0.000 0.247 136 G HA3 -0.026 4.069 3.960 0.023 -0.122 0.247 136 G C -2.424 172.493 174.900 0.029 0.000 1.691 136 G CA 0.670 45.785 45.100 0.025 0.000 0.922 136 G HN -0.184 8.119 8.290 0.021 0.000 0.682 137 G N 1.341 110.163 108.800 0.035 0.000 2.716 137 G HA2 0.297 4.417 3.960 0.035 0.000 0.299 137 G HA3 0.297 4.441 3.960 0.034 -0.163 0.299 137 G C -2.705 172.224 174.900 0.048 0.000 1.450 137 G CA 0.214 45.336 45.100 0.038 0.000 0.968 137 G HN -0.260 8.053 8.290 0.039 0.000 0.566 138 S N 1.400 117.130 115.700 0.049 0.000 2.325 138 S HA 0.288 4.959 4.470 0.062 -0.163 0.228 138 S C -1.481 173.152 174.600 0.055 0.000 0.942 138 S CA 0.080 58.316 58.200 0.061 0.000 1.070 138 S CB 1.512 64.758 63.200 0.076 0.000 1.232 138 S HN -0.060 8.276 8.310 0.043 0.000 0.405 139 D N 6.466 126.894 120.400 0.047 0.000 2.476 139 D HA 0.373 5.043 4.640 0.049 0.000 0.251 139 D C -2.261 174.064 176.300 0.041 0.000 1.291 139 D CA 0.416 54.442 54.000 0.044 0.000 0.939 139 D CB 3.016 43.838 40.800 0.036 0.000 1.221 139 D HN 0.033 8.428 8.370 0.042 0.000 0.567 140 I N 2.582 123.183 120.570 0.051 0.000 2.865 140 I HA 0.594 5.000 4.170 0.040 -0.212 0.302 140 I C -1.670 174.482 176.117 0.059 0.000 1.140 140 I CA -2.532 58.799 61.300 0.051 0.000 1.021 140 I CB 3.243 41.274 38.000 0.051 0.000 1.233 140 I HN 0.316 8.561 8.210 0.059 0.000 0.427 141 K N 3.089 123.521 120.400 0.055 0.000 2.099 141 K HA -0.009 4.339 4.320 0.048 0.000 0.203 141 K C 0.597 177.232 176.600 0.058 0.000 1.047 141 K CA 1.305 57.623 56.287 0.051 0.000 0.963 141 K CB 1.046 33.571 32.500 0.043 0.000 0.759 141 K HN 0.007 8.288 8.250 0.051 0.000 0.451 142 L N 2.354 123.617 121.223 0.066 0.000 2.597 142 L HA -0.006 4.363 4.340 0.050 0.000 0.271 142 L C -0.655 176.264 176.870 0.082 0.000 1.157 142 L CA -0.054 54.825 54.840 0.066 0.000 0.928 142 L CB -0.282 41.817 42.059 0.065 0.000 1.216 142 L HN -0.038 8.125 8.230 0.065 0.106 0.481 143 T N 6.254 120.851 114.554 0.071 0.000 2.825 143 T HA -0.108 4.289 4.350 0.079 0.000 0.270 143 T C -0.795 173.966 174.700 0.101 0.000 0.919 143 T CA -0.065 62.082 62.100 0.078 0.000 1.159 143 T CB -0.785 68.119 68.868 0.060 0.000 0.889 143 T HN 0.227 8.501 8.240 0.057 0.000 0.565 144 Q N 7.809 127.682 119.800 0.122 0.000 2.347 144 Q HA 0.379 4.982 4.340 0.168 -0.162 0.262 144 Q C -1.125 174.947 176.000 0.121 0.000 0.980 144 Q CA -0.996 54.898 55.803 0.153 0.000 0.867 144 Q CB 2.130 30.989 28.738 0.202 0.000 1.242 144 Q HN -0.069 8.272 8.270 0.118 0.000 0.453 145 S N 5.351 121.115 115.700 0.107 0.000 2.596 145 S HA 0.471 4.981 4.470 0.067 0.000 0.318 145 S C -2.401 172.232 174.600 0.055 0.000 1.097 145 S CA -2.762 55.481 58.200 0.072 0.000 1.080 145 S CB 1.333 64.568 63.200 0.059 0.000 0.991 145 S HN 0.512 8.784 8.310 0.121 0.112 0.471 146 P HA 0.304 4.753 4.420 0.048 0.000 0.293 146 P C -1.049 176.287 177.300 0.060 0.000 1.313 146 P CA -0.438 62.689 63.100 0.045 0.000 0.787 146 P CB 0.745 32.463 31.700 0.029 0.000 0.910 147 S N 4.103 119.847 115.700 0.073 0.000 2.345 147 S HA -0.145 4.500 4.470 0.096 -0.118 0.220 147 S C 0.261 174.901 174.600 0.067 0.000 1.031 147 S CA 2.106 60.355 58.200 0.083 0.000 0.996 147 S CB 0.383 63.640 63.200 0.095 0.000 0.882 147 S HN -0.192 8.163 8.310 0.074 0.000 0.445 148 L N -0.252 121.005 121.223 0.056 0.000 2.325 148 L HA 0.450 5.052 4.340 0.046 -0.234 0.284 148 L C -0.142 176.751 176.870 0.037 0.000 1.089 148 L CA -0.096 54.771 54.840 0.045 0.000 0.836 148 L CB -0.073 42.010 42.059 0.041 0.000 1.184 148 L HN -0.264 7.999 8.230 0.055 0.000 0.444 149 L N 0.934 122.178 121.223 0.035 0.000 2.303 149 L HA 0.608 4.961 4.340 0.023 0.000 0.256 149 L C -1.447 175.436 176.870 0.023 0.000 1.034 149 L CA -1.594 53.262 54.840 0.027 0.000 0.832 149 L CB 3.483 45.557 42.059 0.026 0.000 1.403 149 L HN -0.232 8.022 8.230 0.040 0.000 0.419 150 S N -0.667 115.043 115.700 0.016 0.000 2.112 150 S HA 0.145 4.624 4.470 0.016 0.000 0.151 150 S C -0.952 173.653 174.600 0.008 0.000 1.723 150 S CA -0.809 57.398 58.200 0.013 0.000 1.263 150 S CB -0.438 62.768 63.200 0.011 0.000 1.194 150 S HN 0.050 8.368 8.310 0.013 0.000 0.419 151 A N 3.805 126.631 122.820 0.010 0.000 2.304 151 A HA 0.194 4.512 4.320 -0.003 0.000 0.323 151 A C -0.744 176.844 177.584 0.006 0.000 1.195 151 A CA -0.788 51.251 52.037 0.003 0.000 0.826 151 A CB 1.397 20.397 19.000 0.000 0.000 1.184 151 A HN -0.294 7.866 8.150 0.017 0.000 0.496 152 S N 1.592 117.291 115.700 -0.001 0.000 2.707 152 S HA 0.168 4.641 4.470 0.004 0.000 0.276 152 S C -0.395 174.202 174.600 -0.006 0.000 1.179 152 S CA -1.109 57.090 58.200 -0.001 0.000 0.992 152 S CB 0.800 63.998 63.200 -0.003 0.000 1.030 152 S HN -0.034 8.539 8.310 -0.006 -0.267 0.554 153 V N 2.202 122.113 119.914 -0.005 0.000 2.493 153 V HA -0.478 3.798 4.120 -0.010 -0.163 0.292 153 V C 1.668 177.750 176.094 -0.020 0.000 1.016 153 V CA 2.145 64.439 62.300 -0.010 0.000 1.097 153 V CB -1.515 30.304 31.823 -0.006 0.000 0.947 153 V HN 0.238 8.427 8.190 -0.002 0.000 0.479 154 G N 9.086 117.867 108.800 -0.031 0.000 2.279 154 G HA2 -0.347 3.585 3.960 -0.047 0.000 0.223 154 G HA3 -0.347 3.594 3.960 -0.032 0.000 0.223 154 G C -0.611 174.262 174.900 -0.044 0.000 1.015 154 G CA -0.227 44.850 45.100 -0.039 0.000 0.621 154 G HN 0.712 8.869 8.290 -0.035 0.112 0.506 155 D N 3.111 123.488 120.400 -0.038 0.000 2.317 155 D HA 0.040 4.657 4.640 -0.038 0.000 0.252 155 D C -0.760 175.508 176.300 -0.053 0.000 1.174 155 D CA 0.207 54.184 54.000 -0.039 0.000 0.866 155 D CB 0.202 40.986 40.800 -0.027 0.000 1.127 155 D HN -0.207 8.073 8.370 -0.030 0.072 0.467 156 R N 4.316 124.779 120.500 -0.060 0.000 2.401 156 R HA 0.089 4.689 4.340 -0.094 -0.317 0.299 156 R C -0.904 175.356 176.300 -0.067 0.000 1.064 156 R CA 0.309 56.364 56.100 -0.075 0.000 1.000 156 R CB 0.628 30.883 30.300 -0.075 0.000 0.973 156 R HN 0.292 8.529 8.270 -0.054 0.000 0.438 157 V N 8.244 128.109 119.914 -0.081 0.000 2.686 157 V HA 0.268 4.353 4.120 -0.058 0.000 0.306 157 V C -2.121 173.912 176.094 -0.101 0.000 1.065 157 V CA -1.821 60.435 62.300 -0.073 0.000 0.894 157 V CB 3.912 35.704 31.823 -0.053 0.000 1.004 157 V HN 0.158 8.289 8.190 -0.099 0.000 0.424 158 T N 10.004 124.507 114.554 -0.084 0.000 2.758 158 T HA 0.306 4.756 4.350 -0.144 -0.187 0.285 158 T C -0.766 173.890 174.700 -0.074 0.000 0.981 158 T CA -0.360 61.681 62.100 -0.098 0.000 0.965 158 T CB 0.780 69.604 68.868 -0.074 0.000 0.927 158 T HN 0.256 8.459 8.240 -0.062 0.000 0.448 159 L N 9.004 130.163 121.223 -0.108 0.000 2.268 159 L HA 0.061 4.533 4.340 0.012 -0.124 0.289 159 L C -0.922 175.990 176.870 0.071 0.000 1.064 159 L CA -0.603 54.223 54.840 -0.024 0.000 0.824 159 L CB -0.107 41.919 42.059 -0.053 0.000 1.202 159 L HN 0.819 8.830 8.230 -0.194 0.102 0.433 160 S N 5.531 121.291 115.700 0.100 0.000 2.409 160 S HA 0.252 4.966 4.470 0.170 -0.142 0.308 160 S C -0.630 174.091 174.600 0.200 0.000 1.080 160 S CA 0.189 58.474 58.200 0.142 0.000 1.081 160 S CB -0.407 62.837 63.200 0.074 0.000 1.009 160 S HN 0.991 9.236 8.310 0.070 0.107 0.502 161 C N 8.687 128.179 119.300 0.320 0.000 2.383 161 C HA 0.049 4.777 4.460 0.205 -0.145 0.350 161 C C -1.262 173.849 174.990 0.201 0.000 1.173 161 C CA -0.660 58.513 59.018 0.259 0.000 1.645 161 C CB -0.315 27.577 27.740 0.253 0.000 2.221 161 C HN 1.041 9.439 8.230 0.444 0.098 0.528 162 K N 10.233 130.709 120.400 0.127 0.000 2.285 162 K HA 0.359 4.903 4.320 0.085 -0.173 0.286 162 K C -0.245 176.399 176.600 0.073 0.000 1.072 162 K CA -1.218 55.121 56.287 0.086 0.000 0.913 162 K CB 1.000 33.532 32.500 0.053 0.000 1.067 162 K HN 0.465 8.787 8.250 0.119 0.000 0.479 163 G N 5.308 114.154 108.800 0.075 0.000 2.403 163 G HA2 0.064 4.031 3.960 0.012 0.000 0.259 163 G HA3 0.064 4.041 3.960 0.028 0.000 0.259 163 G C -0.385 174.526 174.900 0.018 0.000 1.244 163 G CA -0.427 44.692 45.100 0.032 0.000 0.849 163 G HN 0.121 8.478 8.290 0.111 0.000 0.532 164 S N 2.136 117.841 115.700 0.008 0.000 2.370 164 S HA -0.358 4.120 4.470 0.013 0.000 0.226 164 S C -0.138 174.462 174.600 -0.001 0.000 1.033 164 S CA 1.877 60.081 58.200 0.007 0.000 1.011 164 S CB 0.179 63.385 63.200 0.009 0.000 0.852 164 S HN 0.221 8.533 8.310 0.003 0.000 0.457 165 Q N -0.649 119.144 119.800 -0.012 0.000 2.399 165 Q HA 0.140 4.476 4.340 -0.007 0.000 0.276 165 Q C -1.737 174.253 176.000 -0.017 0.000 1.098 165 Q CA -0.913 54.882 55.803 -0.015 0.000 0.827 165 Q CB 2.587 31.313 28.738 -0.019 0.000 1.386 165 Q HN -0.438 7.819 8.270 -0.021 0.000 0.443 166 N N 1.180 119.874 118.700 -0.009 0.000 2.458 166 N HA -0.196 4.556 4.740 0.020 0.000 0.258 166 N C 0.014 175.523 175.510 -0.001 0.000 1.219 166 N CA 1.281 54.333 53.050 0.004 0.000 0.902 166 N CB 0.231 38.719 38.487 0.002 0.000 1.076 166 N HN 0.248 8.623 8.380 -0.009 0.000 0.455 167 I N 3.711 124.304 120.570 0.037 0.000 4.035 167 I HA -0.068 4.053 4.170 -0.082 0.000 0.321 167 I C -0.264 175.890 176.117 0.062 0.000 1.289 167 I CA 0.093 61.386 61.300 -0.012 0.000 1.236 167 I CB 0.452 38.380 38.000 -0.120 0.000 1.076 167 I HN -0.027 8.239 8.210 0.094 0.000 0.418 168 N N -2.616 116.145 118.700 0.101 0.000 3.967 168 N HA -0.402 4.358 4.740 0.033 0.000 0.227 168 N C -0.660 174.842 175.510 -0.014 0.000 0.226 168 N CA 3.576 56.658 53.050 0.053 0.000 3.007 168 N CB -1.450 37.098 38.487 0.102 0.000 1.344 168 N HN 0.101 8.543 8.380 0.103 0.000 0.315 169 N N -0.599 117.944 118.700 -0.261 0.000 2.110 169 N HA 0.086 4.851 4.740 0.041 0.000 0.230 169 N C -1.423 173.744 175.510 -0.573 0.000 1.353 169 N CA 0.270 53.116 53.050 -0.341 0.000 0.807 169 N CB 2.174 40.422 38.487 -0.400 0.000 1.244 169 N HN -0.259 7.937 8.380 -0.306 0.000 0.504 170 Y N 1.590 121.600 120.300 -0.484 0.000 2.958 170 Y HA 0.295 4.428 4.550 -0.694 0.000 0.336 170 Y C -2.481 172.519 175.900 -1.499 0.000 1.160 170 Y CA -0.813 56.759 58.100 -0.881 0.000 1.292 170 Y CB -1.168 36.895 38.460 -0.661 0.000 1.306 170 Y HN -0.605 7.476 8.280 -0.332 0.000 0.547 171 L N 2.381 122.945 121.223 -1.097 0.000 2.476 171 L HA 0.764 4.680 4.340 -1.056 -0.209 0.269 171 L C -2.470 174.079 176.870 -0.535 0.000 0.965 171 L CA -1.369 52.882 54.840 -0.982 0.000 0.845 171 L CB 4.280 45.652 42.059 -1.145 0.000 1.259 171 L HN -0.485 7.297 8.230 -0.748 0.000 0.403 172 A N 5.278 127.979 122.820 -0.198 0.000 2.260 172 A HA 0.713 5.287 4.320 0.084 -0.203 0.314 172 A C -1.243 176.334 177.584 -0.012 0.000 1.257 172 A CA -2.180 49.885 52.037 0.046 0.000 0.871 172 A CB 2.088 21.251 19.000 0.272 0.000 1.166 172 A HN 0.612 8.617 8.150 -0.242 0.000 0.522 173 W N 4.926 126.248 121.300 0.037 0.000 2.358 173 W HA 0.130 5.072 4.660 0.216 -0.152 0.307 173 W C -1.130 175.417 176.519 0.047 0.000 1.203 173 W CA -1.181 56.228 57.345 0.105 0.000 1.279 173 W CB 0.760 30.259 29.460 0.066 0.000 1.264 173 W HN 0.682 9.014 8.180 0.253 0.000 0.474 174 Y N 3.144 123.689 120.300 0.408 0.000 2.356 174 Y HA 0.359 5.214 4.550 0.189 -0.193 0.334 174 Y C -0.953 174.966 175.900 0.031 0.000 0.958 174 Y CA -1.256 56.995 58.100 0.252 0.000 1.196 174 Y CB 1.467 40.152 38.460 0.376 0.000 1.137 174 Y HN 0.900 9.614 8.280 0.723 0.000 0.485 175 Q N 5.525 125.298 119.800 -0.045 0.000 2.369 175 Q HA 0.114 4.165 4.340 -0.677 -0.117 0.247 175 Q C -1.120 174.670 176.000 -0.350 0.000 1.083 175 Q CA -0.633 54.929 55.803 -0.403 0.000 0.905 175 Q CB 0.882 29.336 28.738 -0.472 0.000 1.305 175 Q HN 0.761 9.027 8.270 -0.008 0.000 0.465 176 Q N 10.011 129.577 119.800 -0.389 0.000 2.377 176 Q HA 0.171 4.347 4.340 -0.275 0.000 0.249 176 Q C -0.927 174.897 176.000 -0.294 0.000 1.005 176 Q CA -0.900 54.726 55.803 -0.294 0.000 0.912 176 Q CB 1.245 29.896 28.738 -0.146 0.000 1.223 176 Q HN 0.715 8.675 8.270 -0.516 0.000 0.459 177 K N 6.446 126.707 120.400 -0.233 0.000 2.120 177 K HA -0.012 4.199 4.320 -0.182 0.000 0.245 177 K C -0.199 176.330 176.600 -0.117 0.000 1.024 177 K CA -0.383 55.803 56.287 -0.169 0.000 0.906 177 K CB 1.170 33.590 32.500 -0.132 0.000 1.051 177 K HN -0.259 8.036 8.250 -0.228 -0.182 0.491 178 L N -0.172 121.001 121.223 -0.083 0.000 2.562 178 L HA 0.031 4.335 4.340 -0.059 0.000 0.271 178 L C 1.091 177.930 176.870 -0.051 0.000 1.167 178 L CA 0.493 55.298 54.840 -0.058 0.000 0.917 178 L CB -2.498 39.538 42.059 -0.039 0.000 1.187 178 L HN 0.590 8.773 8.230 -0.079 0.000 0.482 179 G N 4.184 112.954 108.800 -0.050 0.000 2.147 179 G HA2 -0.422 3.516 3.960 -0.037 0.000 0.244 179 G HA3 -0.422 3.518 3.960 -0.034 0.000 0.244 179 G C -1.496 173.376 174.900 -0.046 0.000 1.005 179 G CA -0.172 44.903 45.100 -0.042 0.000 0.713 179 G HN 0.642 8.900 8.290 -0.054 0.000 0.515 180 E N -0.120 120.040 120.200 -0.067 0.000 2.369 180 E HA 0.246 4.555 4.350 -0.068 0.000 0.270 180 E C -1.932 174.600 176.600 -0.114 0.000 0.909 180 E CA -1.437 54.908 56.400 -0.091 0.000 0.775 180 E CB 2.627 32.252 29.700 -0.124 0.000 1.270 180 E HN -0.545 7.769 8.360 -0.078 0.000 0.445 181 A N 2.806 125.531 122.820 -0.159 0.000 2.371 181 A HA 0.217 4.308 4.320 -0.382 0.000 0.257 181 A C -1.983 175.179 177.584 -0.704 0.000 1.089 181 A CA -1.618 50.175 52.037 -0.407 0.000 0.794 181 A CB -0.282 18.553 19.000 -0.274 0.000 1.029 181 A HN 0.157 8.222 8.150 -0.141 0.000 0.488 182 P HA -0.213 3.943 4.420 -0.440 0.000 0.257 182 P C -1.733 175.133 177.300 -0.724 0.000 1.189 182 P CA 0.166 62.743 63.100 -0.872 0.000 0.780 182 P CB -0.280 30.826 31.700 -0.990 0.000 0.772 183 K N 5.152 125.382 120.400 -0.283 0.000 2.234 183 K HA 0.101 4.347 4.320 -0.123 0.000 0.282 183 K C -0.381 176.246 176.600 0.045 0.000 1.039 183 K CA -1.362 54.858 56.287 -0.111 0.000 0.928 183 K CB 1.971 34.387 32.500 -0.140 0.000 1.039 183 K HN -0.026 7.960 8.250 -0.279 0.096 0.470 184 L N 7.223 128.497 121.223 0.085 0.000 2.530 184 L HA -0.158 3.832 4.340 -0.583 0.000 0.273 184 L C -0.709 176.147 176.870 -0.024 0.000 1.141 184 L CA 1.587 56.338 54.840 -0.148 0.000 0.905 184 L CB 0.070 42.098 42.059 -0.050 0.000 1.202 184 L HN 0.602 8.944 8.230 0.186 0.000 0.473 185 L N 8.271 129.478 121.223 -0.026 0.000 2.265 185 L HA 0.112 4.470 4.340 0.031 0.000 0.195 185 L C -1.365 175.588 176.870 0.137 0.000 1.083 185 L CA 1.315 56.176 54.840 0.035 0.000 0.798 185 L CB 2.362 44.396 42.059 -0.042 0.000 0.989 185 L HN 0.594 8.763 8.230 -0.102 0.000 0.472 186 I N -6.240 114.448 120.570 0.197 0.000 2.512 186 I HA 0.283 4.670 4.170 0.191 -0.103 0.287 186 I C -1.847 174.441 176.117 0.284 0.000 1.069 186 I CA -1.331 60.105 61.300 0.226 0.000 1.056 186 I CB 2.109 40.226 38.000 0.196 0.000 1.229 186 I HN -0.875 7.456 8.210 0.202 0.000 0.429 187 Y N 4.607 125.036 120.300 0.215 0.000 2.432 187 Y HA 0.346 5.023 4.550 0.212 0.000 0.322 187 Y C -0.574 175.445 175.900 0.198 0.000 1.246 187 Y CA -2.200 56.042 58.100 0.236 0.000 1.268 187 Y CB 1.326 39.986 38.460 0.333 0.000 1.276 187 Y HN 0.776 9.065 8.280 0.017 0.000 0.499 188 N N 0.306 119.191 118.700 0.308 0.000 2.727 188 N HA -0.468 4.314 4.740 0.071 0.000 0.249 188 N C 0.003 175.470 175.510 -0.073 0.000 1.048 188 N CA 1.755 54.871 53.050 0.110 0.000 0.714 188 N CB -1.961 36.648 38.487 0.204 0.000 0.959 188 N HN 0.355 9.072 8.380 0.562 0.000 0.544 189 T N -5.464 109.034 114.554 -0.094 0.000 13.302 189 T HA -0.584 3.830 4.350 0.106 0.000 0.419 189 T C -1.063 173.721 174.700 0.141 0.000 1.442 189 T CA 4.554 66.684 62.100 0.049 0.000 2.360 189 T CB -1.076 67.833 68.868 0.069 0.000 2.805 189 T HN 0.732 8.904 8.240 -0.114 0.000 0.605 190 N N 5.636 124.350 118.700 0.023 0.000 2.904 190 N HA 0.139 4.887 4.740 0.014 0.000 0.257 190 N C -1.989 173.445 175.510 -0.127 0.000 1.363 190 N CA -0.034 53.007 53.050 -0.016 0.000 0.856 190 N CB 0.606 39.096 38.487 0.004 0.000 1.166 190 N HN -0.159 8.148 8.380 -0.021 0.060 0.499 191 S N 3.099 118.644 115.700 -0.258 0.000 2.737 191 S HA 0.177 4.478 4.470 -0.282 0.000 0.269 191 S C -2.039 172.262 174.600 -0.499 0.000 1.150 191 S CA -0.780 57.128 58.200 -0.487 0.000 1.077 191 S CB 2.874 65.570 63.200 -0.841 0.000 1.075 191 S HN -0.236 7.943 8.310 -0.218 0.000 0.476 192 L N 4.947 126.079 121.223 -0.153 0.000 2.417 192 L HA 0.004 4.392 4.340 0.080 0.000 0.268 192 L C 0.395 177.419 176.870 0.257 0.000 1.158 192 L CA 0.354 55.226 54.840 0.054 0.000 0.819 192 L CB 0.578 42.681 42.059 0.073 0.000 1.112 192 L HN 0.273 8.432 8.230 -0.119 0.000 0.458 193 Q N 3.596 123.630 119.800 0.389 0.000 2.311 193 Q HA -0.074 4.776 4.340 0.851 0.000 0.272 193 Q C 0.226 176.452 176.000 0.376 0.000 1.012 193 Q CA -0.270 55.853 55.803 0.532 0.000 0.891 193 Q CB 1.050 30.035 28.738 0.411 0.000 1.201 193 Q HN 0.036 8.484 8.270 0.296 0.000 0.391 194 T N 3.954 118.772 114.554 0.440 0.000 2.736 194 T HA -0.261 4.220 4.350 0.219 0.000 0.275 194 T C 0.285 175.119 174.700 0.224 0.000 0.962 194 T CA 1.877 64.155 62.100 0.298 0.000 1.214 194 T CB -1.162 67.908 68.868 0.337 0.000 0.904 194 T HN 0.263 8.904 8.240 0.668 0.000 0.529 195 G N 6.610 115.508 108.800 0.163 0.000 3.638 195 G HA2 -0.250 3.776 3.960 0.109 0.000 0.196 195 G HA3 -0.250 3.788 3.960 0.130 0.000 0.196 195 G C -1.599 173.370 174.900 0.115 0.000 1.315 195 G CA -0.247 44.931 45.100 0.129 0.000 0.944 195 G HN 0.072 8.456 8.290 0.156 0.000 0.434 196 I N 4.667 125.317 120.570 0.134 0.000 2.352 196 I HA 0.267 4.510 4.170 0.122 0.000 0.290 196 I C -1.983 174.203 176.117 0.115 0.000 1.036 196 I CA -2.528 58.852 61.300 0.134 0.000 1.336 196 I CB 1.244 39.342 38.000 0.163 0.000 1.407 196 I HN -0.496 7.809 8.210 0.158 0.000 0.497 197 P HA 0.051 4.503 4.420 0.054 0.000 0.271 197 P C -1.178 176.154 177.300 0.053 0.000 1.238 197 P CA -0.497 62.638 63.100 0.058 0.000 0.794 197 P CB 0.601 32.322 31.700 0.034 0.000 0.959 198 S N 0.776 116.490 115.700 0.023 0.000 3.455 198 S HA -0.062 4.421 4.470 0.022 0.000 0.288 198 S C -0.351 174.230 174.600 -0.032 0.000 1.231 198 S CA 1.338 59.541 58.200 0.005 0.000 1.031 198 S CB -1.068 62.129 63.200 -0.005 0.000 1.570 198 S HN 0.186 8.507 8.310 0.018 0.000 0.519 199 R N 3.746 124.222 120.500 -0.041 0.000 2.840 199 R HA 0.178 4.420 4.340 -0.164 0.000 0.173 199 R C -0.959 175.195 176.300 -0.242 0.000 0.791 199 R CA 0.353 56.352 56.100 -0.169 0.000 1.069 199 R CB 2.068 32.232 30.300 -0.226 0.000 1.537 199 R HN -0.101 8.120 8.270 0.024 0.063 0.609 200 F N 1.236 121.138 119.950 -0.080 0.000 2.368 200 F HA 0.451 5.026 4.527 -0.186 -0.160 0.362 200 F C -0.586 175.108 175.800 -0.177 0.000 1.137 200 F CA -1.047 56.865 58.000 -0.146 0.000 1.161 200 F CB -0.087 38.844 39.000 -0.115 0.000 1.265 200 F HN -0.038 8.357 8.300 0.158 0.000 0.530 201 S N 4.803 120.466 115.700 -0.063 0.000 2.464 201 S HA 0.196 4.634 4.470 -0.054 0.000 0.313 201 S C 0.016 174.510 174.600 -0.176 0.000 1.078 201 S CA -1.858 56.287 58.200 -0.092 0.000 1.096 201 S CB -0.298 62.855 63.200 -0.078 0.000 1.032 201 S HN 0.023 8.277 8.310 -0.093 0.000 0.498 202 G N 3.696 112.374 108.800 -0.203 0.000 2.394 202 G HA2 0.138 3.962 3.960 -0.435 0.000 0.298 202 G HA3 0.138 4.001 3.960 -0.161 0.000 0.298 202 G C -1.290 173.674 174.900 0.108 0.000 1.087 202 G CA -0.404 44.586 45.100 -0.185 0.000 1.035 202 G HN -0.093 8.117 8.290 -0.135 0.000 0.420 203 S N 7.211 122.979 115.700 0.113 0.000 2.605 203 S HA 0.317 4.849 4.470 0.102 0.000 0.308 203 S C -1.283 173.396 174.600 0.131 0.000 1.113 203 S CA -0.263 57.997 58.200 0.101 0.000 1.049 203 S CB 2.139 65.349 63.200 0.017 0.000 1.001 203 S HN 0.516 8.735 8.310 0.030 0.108 0.480 204 G N 3.261 112.135 108.800 0.123 0.000 2.316 204 G HA2 0.278 4.178 3.960 -0.100 0.000 0.296 204 G HA3 0.278 4.286 3.960 -0.170 -0.150 0.296 204 G C -2.745 172.066 174.900 -0.147 0.000 1.399 204 G CA 0.505 45.567 45.100 -0.063 0.000 0.833 204 G HN 0.096 8.471 8.290 0.141 0.000 0.565 205 S N -0.616 114.843 115.700 -0.402 0.000 2.541 205 S HA 0.501 5.006 4.470 -0.111 -0.102 0.271 205 S C 0.268 174.636 174.600 -0.386 0.000 1.133 205 S CA -1.288 56.742 58.200 -0.283 0.000 0.876 205 S CB 2.720 65.845 63.200 -0.126 0.000 1.105 205 S HN -0.074 7.961 8.310 -0.459 0.000 0.470 206 G N 4.205 112.895 108.800 -0.182 0.000 3.487 206 G HA2 -0.447 3.498 3.960 -0.024 0.000 0.295 206 G HA3 -0.447 3.437 3.960 -0.125 0.000 0.295 206 G C 0.360 175.213 174.900 -0.079 0.000 1.454 206 G CA 1.544 46.579 45.100 -0.108 0.000 1.039 206 G HN 0.948 9.108 8.290 -0.042 0.104 0.624 207 T N 6.011 120.458 114.554 -0.179 0.000 2.999 207 T HA 0.165 4.584 4.350 0.114 0.000 0.247 207 T C -1.369 173.259 174.700 -0.121 0.000 1.012 207 T CA 1.478 63.546 62.100 -0.053 0.000 1.048 207 T CB 1.757 70.607 68.868 -0.029 0.000 1.020 207 T HN -0.294 7.800 8.240 -0.243 0.000 0.478 208 D N 2.331 122.522 120.400 -0.348 0.000 2.344 208 D HA 0.427 5.244 4.640 -0.012 -0.184 0.239 208 D C -1.811 174.272 176.300 -0.361 0.000 1.064 208 D CA 0.157 54.034 54.000 -0.206 0.000 0.829 208 D CB 1.953 42.683 40.800 -0.117 0.000 1.129 208 D HN -0.592 7.520 8.370 -0.429 0.000 0.506 209 Y N 3.489 123.843 120.300 0.090 0.000 2.346 209 Y HA 0.134 4.765 4.550 0.136 0.000 0.332 209 Y C -1.014 175.079 175.900 0.321 0.000 0.985 209 Y CA -1.173 57.041 58.100 0.190 0.000 1.112 209 Y CB 3.440 42.000 38.460 0.166 0.000 1.170 209 Y HN 0.704 9.027 8.280 0.268 0.117 0.447 210 T N 2.937 117.676 114.554 0.308 0.000 2.801 210 T HA 0.311 4.894 4.350 0.110 -0.166 0.306 210 T C -0.745 173.892 174.700 -0.105 0.000 1.020 210 T CA -1.330 60.830 62.100 0.100 0.000 0.948 210 T CB 0.558 69.440 68.868 0.024 0.000 0.962 210 T HN 0.971 9.250 8.240 0.243 0.106 0.465 211 L N 9.686 130.667 121.223 -0.403 0.000 2.334 211 L HA 0.285 4.367 4.340 -0.702 -0.163 0.286 211 L C -1.305 175.327 176.870 -0.398 0.000 1.108 211 L CA -1.593 52.809 54.840 -0.730 0.000 0.875 211 L CB -0.587 40.574 42.059 -1.496 0.000 1.246 211 L HN 0.805 8.886 8.230 -0.249 0.000 0.439 212 T N 10.863 125.256 114.554 -0.267 0.000 2.727 212 T HA 0.060 4.439 4.350 -0.178 -0.136 0.295 212 T C -0.449 174.139 174.700 -0.188 0.000 0.915 212 T CA 1.195 63.181 62.100 -0.190 0.000 1.066 212 T CB -0.115 68.672 68.868 -0.136 0.000 0.891 212 T HN 0.351 8.437 8.240 -0.255 0.000 0.516 213 I N 10.281 130.735 120.570 -0.192 0.000 2.372 213 I HA -0.068 3.972 4.170 -0.217 0.000 0.298 213 I C 0.124 176.110 176.117 -0.218 0.000 1.137 213 I CA 0.620 61.802 61.300 -0.196 0.000 1.314 213 I CB -1.788 36.127 38.000 -0.143 0.000 1.444 213 I HN 0.515 8.607 8.210 -0.196 0.000 0.541 214 S N 9.901 125.441 115.700 -0.267 0.000 2.310 214 S HA -0.151 4.228 4.470 -0.152 0.000 0.201 214 S C 0.620 175.108 174.600 -0.188 0.000 1.032 214 S CA 2.456 60.536 58.200 -0.199 0.000 0.993 214 S CB 0.161 63.254 63.200 -0.178 0.000 0.970 214 S HN -0.218 7.903 8.310 -0.315 0.000 0.446 215 S N 3.405 118.974 115.700 -0.218 0.000 2.416 215 S HA 0.026 4.420 4.470 -0.127 0.000 0.302 215 S C -1.690 172.794 174.600 -0.193 0.000 1.120 215 S CA -0.676 57.420 58.200 -0.173 0.000 1.067 215 S CB -0.859 62.252 63.200 -0.149 0.000 1.057 215 S HN -0.104 8.052 8.310 -0.257 0.000 0.518 216 L N 9.074 130.219 121.223 -0.131 0.000 2.385 216 L HA 0.156 4.642 4.340 -0.111 -0.214 0.285 216 L C -1.132 175.710 176.870 -0.047 0.000 1.125 216 L CA -0.629 54.159 54.840 -0.087 0.000 0.890 216 L CB 0.125 42.152 42.059 -0.053 0.000 1.251 216 L HN -0.012 8.149 8.230 -0.114 0.000 0.445 217 Q N 7.000 126.778 119.800 -0.037 0.000 2.199 217 Q HA 0.308 4.641 4.340 -0.012 0.000 0.232 217 Q C -0.844 175.173 176.000 0.028 0.000 0.969 217 Q CA -1.655 54.145 55.803 -0.005 0.000 0.925 217 Q CB -0.211 28.523 28.738 -0.008 0.000 1.198 217 Q HN -0.455 8.058 8.270 -0.068 -0.284 0.494 218 P HA -0.336 4.102 4.420 0.030 0.000 0.217 218 P C 1.334 178.661 177.300 0.045 0.000 1.151 218 P CA 2.746 65.865 63.100 0.031 0.000 0.849 218 P CB -0.135 31.575 31.700 0.018 0.000 0.787 219 E N -4.529 115.705 120.200 0.057 0.000 2.219 219 E HA -0.315 4.060 4.350 0.041 0.000 0.198 219 E C 0.215 176.898 176.600 0.139 0.000 0.998 219 E CA 2.112 58.558 56.400 0.077 0.000 0.818 219 E CB -1.224 28.526 29.700 0.084 0.000 0.741 219 E HN 0.268 8.658 8.360 0.051 0.000 0.477 220 D N -2.471 118.054 120.400 0.207 0.000 2.371 220 D HA -0.004 4.971 4.640 0.560 0.000 0.221 220 D C 0.252 176.718 176.300 0.276 0.000 0.986 220 D CA 1.475 55.690 54.000 0.359 0.000 0.899 220 D CB 0.199 41.175 40.800 0.294 0.000 0.902 220 D HN -0.328 7.961 8.370 0.143 0.167 0.530 221 V N 2.076 122.072 119.914 0.135 0.000 2.242 221 V HA -0.198 3.996 4.120 0.123 0.000 0.242 221 V C -1.972 174.130 176.094 0.014 0.000 1.240 221 V CA 0.737 63.089 62.300 0.087 0.000 1.211 221 V CB -1.770 30.082 31.823 0.048 0.000 1.338 221 V HN -0.905 7.279 8.190 0.104 0.068 0.499 222 A N 5.278 128.091 122.820 -0.012 0.000 2.588 222 A HA 0.403 4.599 4.320 -0.206 0.000 0.290 222 A C -1.764 175.600 177.584 -0.368 0.000 1.136 222 A CA -1.158 50.717 52.037 -0.271 0.000 0.681 222 A CB 3.298 22.007 19.000 -0.485 0.000 1.282 222 A HN -0.338 7.878 8.150 0.168 0.035 0.421 223 T N 2.990 117.240 114.554 -0.506 0.000 2.781 223 T HA 0.285 4.611 4.350 -0.275 -0.140 0.305 223 T C -1.280 172.965 174.700 -0.758 0.000 1.001 223 T CA -0.317 61.468 62.100 -0.525 0.000 0.950 223 T CB 0.100 68.662 68.868 -0.509 0.000 0.955 223 T HN 0.378 8.234 8.240 -0.464 0.107 0.471 224 Y N 7.304 127.407 120.300 -0.328 0.000 2.804 224 Y HA 0.160 4.821 4.550 -0.082 -0.161 0.330 224 Y C 0.080 176.046 175.900 0.110 0.000 1.092 224 Y CA -1.290 56.757 58.100 -0.088 0.000 1.315 224 Y CB -0.821 37.649 38.460 0.015 0.000 1.188 224 Y HN 0.514 8.834 8.280 0.067 0.000 0.512 225 F N 3.358 123.530 119.950 0.371 0.000 2.427 225 F HA 0.201 5.034 4.527 0.295 -0.128 0.352 225 F C 0.376 176.390 175.800 0.357 0.000 1.100 225 F CA -1.747 56.467 58.000 0.358 0.000 1.191 225 F CB 0.783 39.992 39.000 0.348 0.000 1.128 225 F HN 0.613 8.937 8.300 0.039 0.000 0.533 226 C N 3.653 123.148 119.300 0.325 0.000 2.289 226 C HA 0.142 4.390 4.460 -0.353 0.000 0.340 226 C C -0.775 174.204 174.990 -0.019 0.000 1.152 226 C CA -1.558 57.396 59.018 -0.108 0.000 1.650 226 C CB -0.341 27.188 27.740 -0.352 0.000 2.203 226 C HN 0.449 9.158 8.230 0.367 -0.259 0.511 227 Y N 9.146 129.347 120.300 -0.164 0.000 2.613 227 Y HA 0.276 4.685 4.550 -0.555 -0.192 0.354 227 Y C -1.390 174.205 175.900 -0.509 0.000 1.063 227 Y CA -1.725 56.123 58.100 -0.420 0.000 1.384 227 Y CB 0.083 38.291 38.460 -0.419 0.000 1.199 227 Y HN 0.688 9.074 8.280 0.177 0.000 0.517 228 Q N 8.441 127.821 119.800 -0.699 0.000 2.288 228 Q HA 0.401 4.364 4.340 -0.919 -0.174 0.258 228 Q C -1.223 174.129 176.000 -1.080 0.000 0.957 228 Q CA -1.654 53.657 55.803 -0.821 0.000 0.919 228 Q CB 0.463 28.873 28.738 -0.547 0.000 1.185 228 Q HN 0.195 8.157 8.270 -0.514 0.000 0.408 229 Y N 0.778 120.409 120.300 -1.115 0.000 2.658 229 Y HA 0.681 3.860 4.550 -2.285 0.000 0.362 229 Y C -1.955 173.427 175.900 -0.865 0.000 1.017 229 Y CA -2.303 54.870 58.100 -1.545 0.000 1.134 229 Y CB -1.058 36.345 38.460 -1.761 0.000 1.144 229 Y HN 0.397 7.882 8.280 -1.325 0.000 0.655 230 N N 3.713 122.090 118.700 -0.538 0.000 2.801 230 N HA 0.016 4.574 4.740 -0.303 0.000 0.280 230 N C -0.142 175.267 175.510 -0.168 0.000 0.835 230 N CA 1.337 54.216 53.050 -0.286 0.000 1.145 230 N CB 2.376 40.765 38.487 -0.163 0.000 1.516 230 N HN -0.654 7.350 8.380 -0.626 0.000 1.122 231 N N 0.951 119.557 118.700 -0.156 0.000 2.284 231 N HA -0.066 4.640 4.740 -0.056 0.000 0.210 231 N C 0.935 176.416 175.510 -0.048 0.000 1.029 231 N CA 1.052 54.053 53.050 -0.082 0.000 1.039 231 N CB -0.257 38.189 38.487 -0.067 0.000 1.268 231 N HN -0.299 8.108 8.380 -0.219 -0.158 0.546 232 G N -1.076 107.689 108.800 -0.059 0.000 2.553 232 G HA2 -0.042 3.952 3.960 0.056 0.000 0.278 232 G HA3 -0.042 3.911 3.960 -0.012 0.000 0.278 232 G C -2.109 172.725 174.900 -0.109 0.000 1.349 232 G CA -0.932 44.159 45.100 -0.016 0.000 1.037 232 G HN -0.253 7.985 8.290 -0.086 0.000 0.508 233 Y N -1.051 119.038 120.300 -0.353 0.000 2.805 233 Y HA 0.614 4.938 4.550 -0.772 -0.237 0.339 233 Y C -0.416 175.258 175.900 -0.378 0.000 1.012 233 Y CA -1.897 55.805 58.100 -0.662 0.000 1.262 233 Y CB 0.285 38.025 38.460 -1.200 0.000 1.100 233 Y HN 0.026 8.333 8.280 0.045 0.000 0.559 234 T N -0.198 114.207 114.554 -0.248 0.000 2.841 234 T HA 0.385 4.864 4.350 0.216 0.000 0.283 234 T C -1.180 173.526 174.700 0.011 0.000 1.000 234 T CA -1.826 60.283 62.100 0.014 0.000 0.977 234 T CB 2.893 71.782 68.868 0.034 0.000 0.979 234 T HN -0.475 7.502 8.240 -0.439 0.000 0.446 235 F N 4.439 124.503 119.950 0.191 0.000 2.438 235 F HA 0.158 4.970 4.527 0.203 -0.163 0.356 235 F C 0.798 176.621 175.800 0.039 0.000 1.099 235 F CA 0.503 58.577 58.000 0.124 0.000 1.185 235 F CB 0.426 39.414 39.000 -0.019 0.000 1.115 235 F HN 0.493 9.088 8.300 0.493 0.000 0.526 236 G N 1.929 110.875 108.800 0.243 0.000 2.494 236 G HA2 0.174 4.217 3.960 0.139 0.000 0.270 236 G HA3 0.174 4.231 3.960 0.163 0.000 0.270 236 G C -1.609 173.470 174.900 0.299 0.000 1.423 236 G CA -1.065 44.155 45.100 0.200 0.000 1.055 236 G HN 0.107 8.414 8.290 0.217 0.114 0.536 237 A N -0.624 122.355 122.820 0.266 0.000 1.898 237 A HA -0.196 4.271 4.320 0.246 0.000 0.216 237 A C 0.102 177.927 177.584 0.402 0.000 1.181 237 A CA 1.241 53.447 52.037 0.282 0.000 0.620 237 A CB 0.589 19.698 19.000 0.182 0.000 0.819 237 A HN -0.264 8.002 8.150 0.193 0.000 0.442 238 G N -1.969 107.040 108.800 0.350 0.000 2.499 238 G HA2 -0.265 3.901 3.960 0.135 0.000 0.232 238 G HA3 -0.265 3.581 3.960 -0.190 0.000 0.232 238 G C -1.849 173.108 174.900 0.095 0.000 1.251 238 G CA -0.104 45.065 45.100 0.116 0.000 0.917 238 G HN -0.201 8.629 8.290 0.361 -0.323 0.580 239 T N 2.781 117.339 114.554 0.006 0.000 2.993 239 T HA 0.380 4.945 4.350 0.087 -0.163 0.312 239 T C -2.116 172.600 174.700 0.027 0.000 1.115 239 T CA -0.457 61.684 62.100 0.068 0.000 1.027 239 T CB 3.262 72.234 68.868 0.174 0.000 1.116 239 T HN -0.101 8.040 8.240 -0.166 0.000 0.464 240 K N 5.331 125.759 120.400 0.047 0.000 2.469 240 K HA 0.450 4.783 4.320 0.021 0.000 0.254 240 K C -2.081 174.542 176.600 0.039 0.000 0.939 240 K CA -2.328 53.981 56.287 0.037 0.000 0.812 240 K CB 3.586 36.114 32.500 0.046 0.000 1.301 240 K HN 0.812 8.988 8.250 0.060 0.109 0.433 241 L N 4.436 125.678 121.223 0.031 0.000 2.265 241 L HA 0.330 4.689 4.340 0.032 0.000 0.288 241 L C -0.105 176.780 176.870 0.026 0.000 1.058 241 L CA -1.399 53.458 54.840 0.029 0.000 0.809 241 L CB -0.262 41.812 42.059 0.025 0.000 1.179 241 L HN 0.417 8.661 8.230 0.025 0.000 0.429 242 E N 5.662 125.878 120.200 0.025 0.000 2.180 242 E HA 0.015 4.379 4.350 0.024 0.000 0.283 242 E C -1.112 175.499 176.600 0.018 0.000 1.061 242 E CA -1.165 55.249 56.400 0.023 0.000 0.861 242 E CB -0.112 29.602 29.700 0.024 0.000 1.056 242 E HN 0.267 8.642 8.360 0.026 0.000 0.407 243 L N 6.915 128.148 121.223 0.017 0.000 2.295 243 L HA 0.028 4.376 4.340 0.013 0.000 0.288 243 L C 0.022 176.899 176.870 0.013 0.000 1.079 243 L CA -0.425 54.423 54.840 0.014 0.000 0.830 243 L CB -0.404 41.663 42.059 0.013 0.000 1.200 243 L HN 0.467 8.708 8.230 0.018 0.000 0.438 244 K N 5.629 126.036 120.400 0.012 0.000 2.025 244 K HA -0.332 3.994 4.320 0.012 0.000 0.207 244 K C 1.282 177.888 176.600 0.009 0.000 1.049 244 K CA 2.346 58.639 56.287 0.011 0.000 0.933 244 K CB -0.235 32.271 32.500 0.010 0.000 0.714 244 K HN 0.130 8.387 8.250 0.012 0.000 0.438 245 A N -0.370 122.455 122.820 0.008 0.000 3.063 245 A HA 0.146 4.470 4.320 0.007 0.000 0.263 245 A C -1.080 176.509 177.584 0.008 0.000 1.736 245 A CA -0.183 51.858 52.037 0.008 0.000 1.408 245 A CB -1.966 17.038 19.000 0.006 0.000 1.108 245 A HN -0.023 8.132 8.150 0.008 0.000 0.621 246 A N 1.740 124.565 122.820 0.009 0.000 2.581 246 A HA 0.179 4.504 4.320 0.008 0.000 0.290 246 A C -2.324 175.266 177.584 0.010 0.000 1.119 246 A CA -0.541 51.502 52.037 0.009 0.000 0.670 246 A CB 1.505 20.511 19.000 0.010 0.000 1.280 246 A HN -0.289 7.794 8.150 0.009 0.072 0.425 247 E N 0.519 120.726 120.200 0.010 0.000 1.881 247 E HA -0.115 4.242 4.350 0.011 0.000 0.264 247 E C -0.533 176.075 176.600 0.013 0.000 1.243 247 E CA 0.099 56.505 56.400 0.011 0.000 0.965 247 E CB -1.359 28.347 29.700 0.010 0.000 1.055 247 E HN 0.367 8.733 8.360 0.010 0.000 0.412 248 Q N 5.411 125.219 119.800 0.014 0.000 2.664 248 Q HA -0.011 4.339 4.340 0.018 0.000 0.223 248 Q C -0.751 175.260 176.000 0.017 0.000 1.298 248 Q CA -0.479 55.334 55.803 0.016 0.000 0.965 248 Q CB -0.741 28.007 28.738 0.016 0.000 1.510 248 Q HN 0.126 8.404 8.270 0.013 0.000 0.567 249 K N 4.509 124.920 120.400 0.018 0.000 2.213 249 K HA 0.190 4.520 4.320 0.018 0.000 0.270 249 K C -1.703 174.910 176.600 0.023 0.000 1.002 249 K CA -0.533 55.765 56.287 0.019 0.000 0.868 249 K CB 1.112 33.622 32.500 0.017 0.000 1.093 249 K HN -0.262 7.950 8.250 0.018 0.049 0.454 250 L N 6.288 127.524 121.223 0.023 0.000 2.433 250 L HA 0.271 4.628 4.340 0.029 0.000 0.256 250 L C -1.946 174.938 176.870 0.024 0.000 1.063 250 L CA -0.538 54.318 54.840 0.026 0.000 0.922 250 L CB 0.892 42.967 42.059 0.027 0.000 1.238 250 L HN 0.463 8.705 8.230 0.020 0.000 0.466 251 I N 6.376 126.960 120.570 0.024 0.000 2.496 251 I HA -0.025 4.157 4.170 0.020 0.000 0.285 251 I C -0.049 176.083 176.117 0.025 0.000 1.080 251 I CA 0.379 61.692 61.300 0.023 0.000 1.404 251 I CB 0.988 39.001 38.000 0.021 0.000 1.403 251 I HN 0.499 8.609 8.210 0.025 0.115 0.539 252 S N 9.077 124.791 115.700 0.023 0.000 3.517 252 S HA -0.026 4.695 4.470 0.027 -0.235 0.284 252 S C -0.539 174.075 174.600 0.024 0.000 1.260 252 S CA 0.143 58.357 58.200 0.024 0.000 0.975 252 S CB -0.945 62.268 63.200 0.022 0.000 1.540 252 S HN 0.457 8.780 8.310 0.021 0.000 0.506 253 E N 5.929 126.145 120.200 0.026 0.000 1.963 253 E HA 0.018 4.381 4.350 0.023 0.000 0.274 253 E C -1.438 175.177 176.600 0.025 0.000 1.061 253 E CA -0.540 55.874 56.400 0.025 0.000 0.847 253 E CB 0.436 30.152 29.700 0.027 0.000 1.083 253 E HN -0.339 7.984 8.360 0.029 0.055 0.402 254 E N 6.328 126.542 120.200 0.023 0.000 2.104 254 E HA -0.168 4.197 4.350 0.026 0.000 0.278 254 E C -0.955 175.659 176.600 0.023 0.000 1.127 254 E CA 0.150 56.565 56.400 0.024 0.000 0.897 254 E CB 0.107 29.821 29.700 0.023 0.000 1.043 254 E HN 0.126 8.499 8.360 0.022 0.000 0.410 255 D N 7.822 128.236 120.400 0.023 0.000 2.349 255 D HA 0.200 4.853 4.640 0.022 0.000 0.232 255 D C -1.215 175.103 176.300 0.031 0.000 1.071 255 D CA -1.059 52.954 54.000 0.021 0.000 0.832 255 D CB 2.009 42.813 40.800 0.006 0.000 1.086 255 D HN 0.470 8.855 8.370 0.025 0.000 0.504 256 L N 5.260 126.504 121.223 0.036 0.000 2.449 256 L HA 0.156 4.519 4.340 0.039 0.000 0.255 256 L C -1.212 175.689 176.870 0.052 0.000 1.167 256 L CA -0.283 54.581 54.840 0.041 0.000 1.090 256 L CB -1.302 40.779 42.059 0.038 0.000 1.385 256 L HN 0.395 8.646 8.230 0.035 0.000 0.411 257 N N 0.000 118.732 118.700 0.054 0.000 1.763 257 N HA 0.000 4.780 4.740 0.067 0.000 0.220 257 N CA 0.000 53.090 53.050 0.066 0.000 0.885 257 N CB 0.000 38.540 38.487 0.089 0.000 1.341 257 N HN 0.000 8.409 8.380 0.048 0.000 0.667