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 2ntk_1_D DATA FIRST_RESID 1 DATA SEQUENCE MYLGRILAVG RNSNGSFVAY RVSSRSFPNR TTSIQEERVA VVPVEGHERD DATA SEQUENCE VFRNPYIAYN CIRIVGDTAV VSNGSHTDTI ADKVALGMNL RDAIGLSLLA DATA SEQUENCE MDYEKDELNT PRIAAAINGS EAFIGIVTAD GLMVSRVPEE TPVYISTYEQ DATA SEQUENCE TEPAATEFKA GSPEEAAEFI LKGGEFAAFT HPVTAAAAFN DGEGWNLATR DATA SEQUENCE EM 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.513 176.300 0.355 0.000 1.140 1 M CA 0.000 55.465 55.300 0.274 0.000 0.988 1 M CB 0.000 32.727 32.600 0.212 0.000 1.302 2 Y N 2.145 122.557 120.300 0.186 0.000 2.425 2 Y HA 0.506 5.055 4.550 -0.002 0.000 0.347 2 Y C 0.466 176.471 175.900 0.176 0.000 0.976 2 Y CA -0.236 57.991 58.100 0.212 0.000 1.190 2 Y CB 0.630 39.207 38.460 0.196 0.000 1.136 2 Y HN 0.077 8.357 8.280 -0.000 0.000 0.517 3 L N 5.635 126.689 121.223 -0.281 0.000 2.640 3 L HA 0.355 4.694 4.340 -0.002 0.000 0.230 3 L C 1.452 178.058 176.870 -0.440 0.000 1.123 3 L CA 0.860 55.507 54.840 -0.322 0.000 0.900 3 L CB -0.506 41.304 42.059 -0.415 0.000 1.146 3 L HN 1.047 9.277 8.230 -0.000 0.000 0.484 4 G N 0.034 108.323 108.800 -0.852 0.000 2.527 4 G HA2 -0.325 3.633 3.960 -0.002 0.000 0.268 4 G HA3 -0.325 3.633 3.960 -0.002 0.000 0.268 4 G C -0.009 174.716 174.900 -0.292 0.000 1.175 4 G CA -0.233 44.532 45.100 -0.558 0.000 0.962 4 G HN 0.207 8.497 8.290 -0.000 0.000 0.560 5 R N 0.231 120.573 120.500 -0.264 0.000 2.390 5 R HA 0.730 5.069 4.340 -0.002 0.000 0.291 5 R C 0.351 176.527 176.300 -0.206 0.000 1.070 5 R CA 0.006 55.983 56.100 -0.205 0.000 1.014 5 R CB 0.370 30.634 30.300 -0.061 0.000 1.007 5 R HN 0.547 8.817 8.270 -0.000 0.000 0.466 6 I N 3.945 124.361 120.570 -0.257 0.000 2.689 6 I HA 0.490 4.659 4.170 -0.002 0.000 0.299 6 I C -1.057 175.030 176.117 -0.050 0.000 1.059 6 I CA -1.408 59.843 61.300 -0.082 0.000 1.055 6 I CB 1.737 39.749 38.000 0.019 0.000 1.243 6 I HN 0.344 8.554 8.210 -0.000 0.000 0.425 7 L N 3.125 124.436 121.223 0.146 0.000 2.409 7 L HA 1.072 5.411 4.340 -0.002 0.000 0.262 7 L C -0.951 176.057 176.870 0.229 0.000 0.992 7 L CA -0.558 54.409 54.840 0.211 0.000 0.817 7 L CB 1.883 44.104 42.059 0.270 0.000 1.350 7 L HN 0.654 8.884 8.230 -0.000 0.000 0.411 8 A N 1.652 124.574 122.820 0.169 0.000 2.454 8 A HA 0.969 5.288 4.320 -0.002 0.000 0.302 8 A C -1.299 176.259 177.584 -0.043 0.000 1.079 8 A CA -0.461 51.670 52.037 0.156 0.000 0.731 8 A CB 2.123 21.203 19.000 0.134 0.000 1.299 8 A HN 1.680 9.830 8.150 -0.000 0.000 0.413 9 V N 0.343 120.144 119.914 -0.187 0.000 3.048 9 V HA 0.902 5.021 4.120 -0.002 0.000 0.303 9 V C -0.034 175.688 176.094 -0.620 0.000 1.214 9 V CA 0.921 62.921 62.300 -0.500 0.000 0.984 9 V CB 1.917 33.592 31.823 -0.246 0.000 1.054 9 V HN 2.611 10.801 8.190 -0.000 0.000 0.430 10 G N 5.114 113.363 108.800 -0.918 0.000 2.350 10 G HA2 0.364 4.323 3.960 -0.002 0.000 0.276 10 G HA3 0.364 4.323 3.960 -0.002 0.000 0.276 10 G C -1.679 172.923 174.900 -0.497 0.000 1.313 10 G CA -0.636 44.140 45.100 -0.539 0.000 0.903 10 G HN 0.912 9.202 8.290 -0.000 0.000 0.490 11 R N 0.088 120.526 120.500 -0.104 0.000 2.725 11 R HA 0.668 5.007 4.340 -0.002 0.000 0.277 11 R C -0.595 175.821 176.300 0.193 0.000 0.987 11 R CA -0.902 55.225 56.100 0.045 0.000 0.901 11 R CB 2.128 32.415 30.300 -0.022 0.000 1.207 11 R HN 0.857 9.127 8.270 -0.000 0.000 0.463 12 N N -1.388 117.453 118.700 0.235 0.000 3.102 12 N HA 0.111 4.850 4.740 -0.002 0.000 0.299 12 N C 0.353 175.949 175.510 0.142 0.000 1.482 12 N CA -0.793 52.380 53.050 0.205 0.000 0.785 12 N CB 0.374 39.012 38.487 0.251 0.000 1.680 12 N HN 0.410 8.790 8.380 -0.000 0.000 0.594 13 S N -1.130 114.636 115.700 0.111 0.000 2.440 13 S HA -0.126 4.343 4.470 -0.002 0.000 0.238 13 S C 0.699 175.358 174.600 0.099 0.000 1.010 13 S CA 0.774 59.022 58.200 0.080 0.000 0.972 13 S CB -0.671 62.561 63.200 0.055 0.000 0.774 13 S HN 0.573 8.883 8.310 -0.000 0.000 0.501 14 N N 1.647 120.447 118.700 0.167 0.000 2.405 14 N HA 0.322 5.060 4.740 -0.002 0.000 0.175 14 N C 0.981 176.684 175.510 0.322 0.000 1.051 14 N CA 0.925 54.116 53.050 0.235 0.000 0.899 14 N CB 0.648 39.283 38.487 0.247 0.000 1.000 14 N HN 0.648 9.028 8.380 -0.000 0.000 0.451 15 G N -0.170 108.755 108.800 0.209 0.000 2.350 15 G HA2 0.138 4.097 3.960 -0.002 0.000 0.276 15 G HA3 0.138 4.097 3.960 -0.002 0.000 0.276 15 G C -1.542 173.193 174.900 -0.274 0.000 1.313 15 G CA -0.278 44.751 45.100 -0.118 0.000 0.903 15 G HN 0.190 8.480 8.290 -0.000 0.000 0.490 16 S N -0.869 114.509 115.700 -0.536 0.000 2.638 16 S HA 0.958 5.427 4.470 -0.002 0.000 0.298 16 S C -0.538 173.861 174.600 -0.335 0.000 1.111 16 S CA 0.014 58.011 58.200 -0.339 0.000 1.027 16 S CB 1.808 64.866 63.200 -0.237 0.000 1.064 16 S HN 2.099 10.409 8.310 -0.000 0.000 0.525 17 F N -1.220 118.684 119.950 -0.077 0.000 2.817 17 F HA 0.778 5.304 4.527 -0.001 0.000 0.317 17 F C -1.642 174.199 175.800 0.069 0.000 1.168 17 F CA -1.304 56.767 58.000 0.118 0.000 0.911 17 F CB 0.999 40.052 39.000 0.088 0.000 1.337 17 F HN 0.696 8.996 8.300 -0.000 0.000 0.464 18 V N -0.814 119.222 119.914 0.203 0.000 2.888 18 V HA 1.019 5.138 4.120 -0.002 0.000 0.309 18 V C -0.995 175.255 176.094 0.260 0.000 1.114 18 V CA -0.565 61.759 62.300 0.040 0.000 0.940 18 V CB 0.802 32.568 31.823 -0.095 0.000 1.021 18 V HN 1.837 10.027 8.190 -0.000 0.000 0.426 19 A N 3.286 126.234 122.820 0.213 0.000 2.475 19 A HA 0.926 5.245 4.320 -0.002 0.000 0.301 19 A C -1.805 175.919 177.584 0.234 0.000 1.059 19 A CA -0.700 51.474 52.037 0.229 0.000 0.710 19 A CB 2.004 21.130 19.000 0.210 0.000 1.288 19 A HN 1.619 9.769 8.150 -0.000 0.000 0.408 20 Y N 0.906 121.252 120.300 0.076 0.000 2.492 20 Y HA 0.725 5.274 4.550 -0.002 0.000 0.346 20 Y C -0.332 175.604 175.900 0.060 0.000 0.997 20 Y CA -0.675 57.462 58.100 0.062 0.000 1.025 20 Y CB 1.759 40.255 38.460 0.060 0.000 1.263 20 Y HN 0.835 9.115 8.280 -0.000 0.000 0.454 21 R N 4.806 124.944 120.500 -0.604 0.000 2.574 21 R HA 0.690 5.028 4.340 -0.002 0.000 0.288 21 R C -2.284 173.717 176.300 -0.499 0.000 1.004 21 R CA -0.693 55.181 56.100 -0.377 0.000 0.895 21 R CB 1.636 31.831 30.300 -0.176 0.000 1.191 21 R HN 0.570 8.840 8.270 -0.000 0.000 0.444 22 V N 3.412 123.197 119.914 -0.215 0.000 2.383 22 V HA 0.354 4.473 4.120 -0.002 0.000 0.275 22 V C -0.298 175.821 176.094 0.042 0.000 1.036 22 V CA -0.224 62.039 62.300 -0.061 0.000 0.889 22 V CB 1.534 33.413 31.823 0.094 0.000 0.985 22 V HN 0.770 8.960 8.190 -0.000 0.000 0.459 23 S N 3.411 119.164 115.700 0.088 0.000 2.482 23 S HA 0.764 5.233 4.470 -0.002 0.000 0.303 23 S C -0.387 174.423 174.600 0.351 0.000 1.091 23 S CA -0.527 57.813 58.200 0.234 0.000 1.057 23 S CB 1.760 65.087 63.200 0.210 0.000 1.031 23 S HN 0.784 9.094 8.310 -0.000 0.000 0.485 24 S N 1.267 117.205 115.700 0.397 0.000 2.535 24 S HA 0.488 4.957 4.470 -0.002 0.000 0.272 24 S C 0.040 174.708 174.600 0.114 0.000 1.149 24 S CA -0.687 57.717 58.200 0.340 0.000 0.888 24 S CB 1.199 64.571 63.200 0.286 0.000 1.110 24 S HN 0.708 9.018 8.310 -0.000 0.000 0.463 25 R N 1.064 121.523 120.500 -0.068 0.000 2.121 25 R HA 0.131 4.470 4.340 -0.002 0.000 0.206 25 R C 2.006 178.208 176.300 -0.163 0.000 1.094 25 R CA 1.115 57.028 56.100 -0.311 0.000 1.055 25 R CB -0.310 29.632 30.300 -0.595 0.000 0.964 25 R HN 0.698 8.968 8.270 -0.000 0.000 0.473 26 S N -0.339 115.295 115.700 -0.111 0.000 2.528 26 S HA 0.117 4.586 4.470 -0.002 0.000 0.219 26 S C 0.438 174.695 174.600 -0.570 0.000 0.985 26 S CA 0.206 58.230 58.200 -0.293 0.000 0.914 26 S CB 0.213 63.252 63.200 -0.268 0.000 0.776 26 S HN 0.124 8.434 8.310 -0.000 0.000 0.526 27 F N 2.092 122.063 119.950 0.035 0.000 2.593 27 F HA 0.425 4.951 4.527 -0.002 0.000 0.336 27 F C -2.144 173.670 175.800 0.023 0.000 1.491 27 F CA -1.841 56.177 58.000 0.030 0.000 1.114 27 F CB 1.871 40.913 39.000 0.070 0.000 1.468 27 F HN 0.034 8.334 8.300 -0.000 0.000 0.579 28 P HA -0.020 4.400 4.420 -0.000 0.000 0.240 28 P C -0.281 177.030 177.300 0.019 0.000 1.190 28 P CA 0.693 63.832 63.100 0.065 0.000 0.781 28 P CB 0.139 31.861 31.700 0.036 0.000 0.931 29 N N 0.774 119.441 118.700 -0.056 0.000 3.259 29 N HA 0.156 4.895 4.740 -0.002 0.000 0.308 29 N C 0.067 175.557 175.510 -0.034 0.000 1.334 29 N CA -0.171 52.789 53.050 -0.150 0.000 1.202 29 N CB -0.042 38.075 38.487 -0.617 0.000 1.485 29 N HN 0.106 8.486 8.380 -0.000 0.000 0.549 30 R N -0.419 120.097 120.500 0.028 0.000 2.808 30 R HA 0.558 4.897 4.340 -0.002 0.000 0.272 30 R C -0.693 175.629 176.300 0.038 0.000 0.995 30 R CA -0.696 55.428 56.100 0.040 0.000 0.917 30 R CB 2.233 32.565 30.300 0.053 0.000 1.217 30 R HN 0.038 8.307 8.270 -0.000 0.000 0.471 31 T N -0.292 114.276 114.554 0.023 0.000 2.812 31 T HA 0.473 4.822 4.350 -0.002 0.000 0.294 31 T C -1.114 173.589 174.700 0.005 0.000 1.159 31 T CA -0.517 61.597 62.100 0.024 0.000 1.008 31 T CB 1.723 70.607 68.868 0.027 0.000 1.289 31 T HN 0.663 8.903 8.240 -0.000 0.000 0.514 32 T N 0.147 114.710 114.554 0.016 0.000 2.859 32 T HA 0.717 5.066 4.350 -0.002 0.000 0.281 32 T C -0.409 174.292 174.700 0.001 0.000 1.005 32 T CA -0.784 61.320 62.100 0.005 0.000 1.025 32 T CB 1.444 70.336 68.868 0.040 0.000 0.977 32 T HN 0.533 8.773 8.240 -0.000 0.000 0.458 33 S N 1.852 117.542 115.700 -0.016 0.000 2.557 33 S HA 0.596 5.065 4.470 -0.002 0.000 0.291 33 S C -0.645 173.949 174.600 -0.010 0.000 1.116 33 S CA -0.948 57.245 58.200 -0.010 0.000 0.992 33 S CB 0.330 63.518 63.200 -0.019 0.000 1.028 33 S HN 0.692 9.002 8.310 -0.000 0.000 0.484 34 I N 4.751 125.323 120.570 0.003 0.000 2.342 34 I HA 0.396 4.565 4.170 -0.002 0.000 0.291 34 I C 0.267 176.386 176.117 0.003 0.000 1.010 34 I CA -0.408 60.896 61.300 0.007 0.000 1.308 34 I CB 1.125 39.139 38.000 0.022 0.000 1.400 34 I HN 0.564 8.774 8.210 -0.000 0.000 0.488 35 Q N 3.911 123.709 119.800 -0.002 0.000 2.892 35 Q HA 0.314 4.653 4.340 -0.002 0.000 0.307 35 Q C -0.769 175.231 176.000 0.001 0.000 1.039 35 Q CA -0.939 54.862 55.803 -0.003 0.000 0.792 35 Q CB 1.023 29.754 28.738 -0.013 0.000 1.504 35 Q HN 0.504 8.774 8.270 -0.000 0.000 0.487 36 E N 1.756 121.956 120.200 0.001 0.000 2.491 36 E HA -0.100 4.249 4.350 -0.002 0.000 0.250 36 E C -0.450 176.149 176.600 -0.000 0.000 1.061 36 E CA 0.386 56.789 56.400 0.005 0.000 0.942 36 E CB 0.132 29.835 29.700 0.004 0.000 0.957 36 E HN 0.333 8.693 8.360 -0.000 0.000 0.480 37 E N 1.632 121.837 120.200 0.008 0.000 2.722 37 E HA -0.271 4.078 4.350 -0.002 0.000 0.265 37 E C -0.446 176.138 176.600 -0.028 0.000 1.081 37 E CA 1.425 57.825 56.400 -0.001 0.000 0.781 37 E CB -1.581 28.116 29.700 -0.005 0.000 1.372 37 E HN 0.790 9.150 8.360 -0.000 0.000 0.423 38 R N -2.652 117.834 120.500 -0.024 0.000 2.690 38 R HA 0.665 5.004 4.340 -0.002 0.000 0.269 38 R C -1.138 175.141 176.300 -0.034 0.000 1.037 38 R CA -0.963 55.111 56.100 -0.044 0.000 0.877 38 R CB 1.409 31.678 30.300 -0.052 0.000 1.255 38 R HN -0.097 8.173 8.270 -0.000 0.000 0.467 39 V N 0.779 120.663 119.914 -0.050 0.000 2.531 39 V HA 0.768 4.887 4.120 -0.002 0.000 0.301 39 V C -0.434 175.612 176.094 -0.081 0.000 1.034 39 V CA -0.566 61.709 62.300 -0.042 0.000 0.865 39 V CB 1.476 33.289 31.823 -0.017 0.000 0.995 39 V HN 0.969 9.159 8.190 -0.000 0.000 0.424 40 A N 4.173 126.940 122.820 -0.088 0.000 2.340 40 A HA 0.871 5.190 4.320 -0.002 0.000 0.331 40 A C -0.703 176.767 177.584 -0.189 0.000 1.140 40 A CA -0.617 51.330 52.037 -0.150 0.000 0.801 40 A CB 1.694 20.622 19.000 -0.120 0.000 1.234 40 A HN 0.656 8.806 8.150 -0.000 0.000 0.469 41 V N 2.889 122.580 119.914 -0.370 0.000 2.364 41 V HA 0.505 4.624 4.120 -0.002 0.000 0.272 41 V C 0.050 175.955 176.094 -0.316 0.000 1.036 41 V CA -0.028 62.049 62.300 -0.372 0.000 0.880 41 V CB 0.697 32.105 31.823 -0.691 0.000 0.991 41 V HN 1.003 9.193 8.190 -0.000 0.000 0.460 42 V N 3.949 123.769 119.914 -0.157 0.000 3.130 42 V HA 0.770 4.889 4.120 -0.002 0.000 0.310 42 V C -2.975 173.098 176.094 -0.035 0.000 1.158 42 V CA -2.931 59.308 62.300 -0.102 0.000 1.029 42 V CB 2.248 34.029 31.823 -0.071 0.000 1.057 42 V HN 0.582 8.772 8.190 -0.000 0.000 0.436 43 P HA 0.336 4.756 4.420 -0.000 0.000 0.272 43 P C -0.155 177.193 177.300 0.078 0.000 1.223 43 P CA -0.107 63.029 63.100 0.060 0.000 0.784 43 P CB 0.779 32.539 31.700 0.100 0.000 0.923 44 V N -0.623 119.360 119.914 0.115 0.000 3.133 44 V HA 0.247 4.366 4.120 -0.002 0.000 0.305 44 V C 0.495 176.682 176.094 0.155 0.000 1.084 44 V CA -0.803 61.570 62.300 0.122 0.000 1.089 44 V CB 0.160 32.062 31.823 0.132 0.000 1.073 44 V HN 0.568 8.758 8.190 -0.000 0.000 0.477 45 E N 1.478 121.739 120.200 0.101 0.000 2.608 45 E HA 0.252 4.601 4.350 -0.002 0.000 0.259 45 E C 1.204 177.831 176.600 0.045 0.000 0.951 45 E CA 1.043 57.483 56.400 0.066 0.000 0.945 45 E CB -0.121 29.604 29.700 0.042 0.000 0.916 45 E HN 1.666 10.026 8.360 -0.000 0.000 0.477 46 G N 4.385 113.174 108.800 -0.018 0.000 2.175 46 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.244 46 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.244 46 G C 0.448 175.140 174.900 -0.346 0.000 0.982 46 G CA 0.312 45.313 45.100 -0.165 0.000 0.641 46 G HN 0.746 9.036 8.290 -0.000 0.000 0.527 47 H N -0.263 118.845 119.070 0.063 0.000 2.767 47 H HA 0.234 4.789 4.556 -0.002 0.000 0.260 47 H C 1.768 177.151 175.328 0.092 0.000 1.172 47 H CA 0.495 56.592 56.048 0.082 0.000 1.048 47 H CB 0.639 30.453 29.762 0.088 0.000 1.697 47 H HN 0.443 8.723 8.280 -0.000 0.000 0.606 48 E N 1.221 121.512 120.200 0.151 0.000 2.147 48 E HA -0.152 4.197 4.350 -0.002 0.000 0.199 48 E C 1.890 178.598 176.600 0.180 0.000 1.005 48 E CA 0.932 57.411 56.400 0.132 0.000 0.810 48 E CB -0.045 29.725 29.700 0.116 0.000 0.736 48 E HN 0.295 8.655 8.360 -0.000 0.000 0.460 49 R N 0.765 121.407 120.500 0.236 0.000 2.328 49 R HA -0.092 4.247 4.340 -0.002 0.000 0.207 49 R C 0.868 177.362 176.300 0.322 0.000 1.056 49 R CA 0.812 57.132 56.100 0.367 0.000 1.016 49 R CB -0.102 30.346 30.300 0.247 0.000 0.872 49 R HN 0.246 8.516 8.270 -0.000 0.000 0.471 50 D N 0.352 120.891 120.400 0.230 0.000 2.218 50 D HA -0.121 4.518 4.640 -0.002 0.000 0.204 50 D C 1.950 178.288 176.300 0.063 0.000 0.976 50 D CA 1.171 55.305 54.000 0.224 0.000 0.853 50 D CB -0.031 40.941 40.800 0.287 0.000 0.939 50 D HN 0.193 8.563 8.370 -0.000 0.000 0.481 51 V N -1.570 118.294 119.914 -0.084 0.000 2.720 51 V HA -0.166 3.953 4.120 -0.002 0.000 0.256 51 V C 1.809 177.675 176.094 -0.381 0.000 1.082 51 V CA 1.227 63.347 62.300 -0.300 0.000 1.101 51 V CB -1.182 30.369 31.823 -0.454 0.000 0.693 51 V HN -0.017 8.173 8.190 -0.000 0.000 0.479 52 F N 0.309 120.262 119.950 0.005 0.000 2.789 52 F HA 0.342 4.868 4.527 -0.002 0.000 0.300 52 F C 2.492 178.298 175.800 0.010 0.000 1.132 52 F CA 0.386 58.385 58.000 -0.001 0.000 1.404 52 F CB -0.125 38.882 39.000 0.012 0.000 1.114 52 F HN 0.022 8.322 8.300 -0.000 0.000 0.584 53 R N -0.633 119.965 120.500 0.163 0.000 2.175 53 R HA 0.102 4.441 4.340 -0.002 0.000 0.202 53 R C 0.286 176.638 176.300 0.087 0.000 1.018 53 R CA 0.427 56.625 56.100 0.162 0.000 1.029 53 R CB 0.157 30.610 30.300 0.254 0.000 0.959 53 R HN -0.000 8.270 8.270 -0.000 0.000 0.480 54 N N 0.119 118.790 118.700 -0.048 0.000 2.478 54 N HA 0.118 4.856 4.740 -0.002 0.000 0.291 54 N C -2.464 172.870 175.510 -0.294 0.000 1.090 54 N CA -1.587 51.354 53.050 -0.181 0.000 0.911 54 N CB 2.320 40.605 38.487 -0.336 0.000 1.546 54 N HN -0.194 8.186 8.380 -0.000 0.000 0.500 55 P HA 0.056 4.476 4.420 -0.000 0.000 0.245 55 P C 0.015 177.060 177.300 -0.425 0.000 1.212 55 P CA 0.655 63.473 63.100 -0.470 0.000 0.774 55 P CB -0.092 31.265 31.700 -0.573 0.000 0.999 56 Y N -0.182 120.074 120.300 -0.073 0.000 2.507 56 Y HA 0.285 4.834 4.550 -0.002 0.000 0.254 56 Y C 2.166 178.092 175.900 0.044 0.000 1.171 56 Y CA -0.586 57.495 58.100 -0.032 0.000 1.238 56 Y CB -0.093 38.343 38.460 -0.040 0.000 1.148 56 Y HN -0.109 8.171 8.280 -0.000 0.000 0.525 57 I N -2.561 118.045 120.570 0.059 0.000 3.645 57 I HA 0.473 4.642 4.170 -0.002 0.000 0.300 57 I C 0.757 176.914 176.117 0.068 0.000 1.260 57 I CA -0.143 61.188 61.300 0.050 0.000 1.365 57 I CB 0.335 38.147 38.000 -0.313 0.000 1.077 57 I HN -0.032 8.178 8.210 -0.000 0.000 0.439 58 A N 1.424 124.274 122.820 0.051 0.000 2.330 58 A HA 0.795 5.114 4.320 -0.002 0.000 0.313 58 A C -1.041 176.534 177.584 -0.014 0.000 1.124 58 A CA -0.363 51.594 52.037 -0.133 0.000 0.774 58 A CB 0.631 19.552 19.000 -0.131 0.000 1.198 58 A HN 0.508 8.658 8.150 -0.000 0.000 0.465 59 Y N -0.432 119.831 120.300 -0.063 0.000 2.810 59 Y HA 0.447 4.996 4.550 -0.001 0.000 0.355 59 Y C -1.106 174.728 175.900 -0.110 0.000 1.211 59 Y CA -1.653 56.397 58.100 -0.084 0.000 1.112 59 Y CB 0.410 38.820 38.460 -0.083 0.000 1.383 59 Y HN 0.431 8.711 8.280 -0.000 0.000 0.458 60 N N 0.939 119.660 118.700 0.034 0.000 2.458 60 N HA 0.268 5.007 4.740 -0.002 0.000 0.270 60 N C 0.443 175.950 175.510 -0.005 0.000 1.102 60 N CA 0.179 53.197 53.050 -0.053 0.000 0.967 60 N CB 1.532 39.982 38.487 -0.062 0.000 1.078 60 N HN 0.953 9.333 8.380 -0.000 0.000 0.471 61 C N 1.363 120.584 119.300 -0.130 0.000 2.735 61 C HA 0.500 4.959 4.460 -0.002 0.000 0.271 61 C C 0.715 175.517 174.990 -0.313 0.000 1.281 61 C CA -0.429 58.400 59.018 -0.314 0.000 1.719 61 C CB -0.821 26.557 27.740 -0.603 0.000 2.024 61 C HN 0.565 8.795 8.230 -0.000 0.000 0.566 62 I N 1.158 121.614 120.570 -0.190 0.000 2.656 62 I HA 0.526 4.695 4.170 -0.002 0.000 0.292 62 I C -0.931 175.101 176.117 -0.143 0.000 1.144 62 I CA -0.451 60.752 61.300 -0.163 0.000 1.038 62 I CB 1.680 39.616 38.000 -0.107 0.000 1.244 62 I HN 0.039 8.249 8.210 -0.000 0.000 0.420 63 R N 5.752 126.151 120.500 -0.169 0.000 2.621 63 R HA 0.603 4.942 4.340 -0.002 0.000 0.284 63 R C -1.415 174.765 176.300 -0.199 0.000 0.998 63 R CA -0.874 55.137 56.100 -0.149 0.000 0.895 63 R CB 2.802 33.024 30.300 -0.130 0.000 1.195 63 R HN 0.420 8.690 8.270 -0.000 0.000 0.450 64 I N 4.086 124.557 120.570 -0.165 0.000 2.362 64 I HA 0.294 4.463 4.170 -0.002 0.000 0.289 64 I C 0.174 176.223 176.117 -0.114 0.000 0.994 64 I CA -0.871 60.304 61.300 -0.208 0.000 1.158 64 I CB 1.678 39.597 38.000 -0.136 0.000 1.315 64 I HN 0.251 8.461 8.210 -0.000 0.000 0.451 65 V N 3.450 123.295 119.914 -0.114 0.000 2.380 65 V HA 0.880 4.999 4.120 -0.002 0.000 0.286 65 V C 0.636 176.728 176.094 -0.004 0.000 1.015 65 V CA -0.043 62.228 62.300 -0.049 0.000 0.834 65 V CB 0.466 32.256 31.823 -0.055 0.000 1.009 65 V HN 1.056 9.246 8.190 -0.000 0.000 0.428 66 G N 5.157 113.978 108.800 0.036 0.000 2.629 66 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.313 66 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.313 66 G C 0.622 175.617 174.900 0.159 0.000 1.217 66 G CA 0.940 46.085 45.100 0.076 0.000 0.994 66 G HN 1.303 9.593 8.290 -0.000 0.000 0.549 67 D N 0.755 121.253 120.400 0.162 0.000 2.349 67 D HA 0.147 4.786 4.640 -0.002 0.000 0.224 67 D C 0.884 177.415 176.300 0.384 0.000 1.029 67 D CA 1.275 55.441 54.000 0.277 0.000 0.879 67 D CB -0.288 40.606 40.800 0.156 0.000 0.906 67 D HN 0.412 8.782 8.370 -0.000 0.000 0.528 68 T N 0.599 115.236 114.554 0.138 0.000 2.824 68 T HA 0.629 4.978 4.350 -0.002 0.000 0.280 68 T C -0.382 174.086 174.700 -0.387 0.000 0.995 68 T CA -0.619 61.465 62.100 -0.027 0.000 1.009 68 T CB 1.839 70.683 68.868 -0.039 0.000 0.955 68 T HN 0.229 8.469 8.240 -0.000 0.000 0.452 69 A N 2.811 125.253 122.820 -0.629 0.000 2.303 69 A HA 0.753 5.072 4.320 -0.002 0.000 0.320 69 A C -0.580 176.732 177.584 -0.454 0.000 1.192 69 A CA -0.611 50.892 52.037 -0.891 0.000 0.821 69 A CB 0.767 18.739 19.000 -1.713 0.000 1.188 69 A HN 0.674 8.824 8.150 -0.000 0.000 0.492 70 V N 2.595 122.304 119.914 -0.341 0.000 2.555 70 V HA 0.670 4.789 4.120 -0.002 0.000 0.302 70 V C -0.398 175.569 176.094 -0.212 0.000 1.038 70 V CA -0.585 61.582 62.300 -0.223 0.000 0.887 70 V CB 1.495 33.215 31.823 -0.172 0.000 0.991 70 V HN 0.835 9.025 8.190 -0.000 0.000 0.434 71 V N 4.229 124.040 119.914 -0.171 0.000 2.789 71 V HA 0.977 5.096 4.120 -0.002 0.000 0.311 71 V C -0.464 175.525 176.094 -0.175 0.000 1.073 71 V CA 0.423 62.620 62.300 -0.171 0.000 0.921 71 V CB 2.309 34.083 31.823 -0.083 0.000 1.009 71 V HN 1.238 9.428 8.190 -0.000 0.000 0.426 72 S N 3.998 119.511 115.700 -0.310 0.000 2.611 72 S HA 0.380 4.849 4.470 -0.002 0.000 0.268 72 S C -0.248 174.060 174.600 -0.486 0.000 1.156 72 S CA -0.157 57.847 58.200 -0.326 0.000 0.817 72 S CB 1.620 64.495 63.200 -0.542 0.000 1.122 72 S HN 1.099 9.409 8.310 -0.000 0.000 0.466 73 N N 0.758 119.299 118.700 -0.264 0.000 2.313 73 N HA 0.325 5.064 4.740 -0.002 0.000 0.207 73 N C 0.466 175.451 175.510 -0.876 0.000 1.141 73 N CA 0.434 53.328 53.050 -0.260 0.000 0.830 73 N CB 0.369 38.889 38.487 0.055 0.000 1.008 73 N HN 0.988 9.368 8.380 -0.000 0.000 0.481 74 G N -0.608 107.602 108.800 -0.983 0.000 2.634 74 G HA2 0.263 4.222 3.960 -0.002 0.000 0.309 74 G HA3 0.263 4.222 3.960 -0.002 0.000 0.309 74 G C 0.072 174.684 174.900 -0.480 0.000 1.299 74 G CA -0.056 44.542 45.100 -0.836 0.000 0.798 74 G HN 0.099 8.389 8.290 -0.000 0.000 0.490 75 S N -0.196 115.447 115.700 -0.095 0.000 2.547 75 S HA -0.117 4.352 4.470 -0.002 0.000 0.235 75 S C 1.698 176.275 174.600 -0.038 0.000 0.980 75 S CA 1.618 59.810 58.200 -0.014 0.000 0.941 75 S CB -0.627 62.605 63.200 0.052 0.000 0.763 75 S HN 0.807 9.117 8.310 -0.000 0.000 0.532 76 H N 0.342 119.359 119.070 -0.088 0.000 2.561 76 H HA 0.085 4.640 4.556 -0.002 0.000 0.278 76 H C 1.342 176.620 175.328 -0.083 0.000 1.014 76 H CA 1.138 57.137 56.048 -0.082 0.000 1.211 76 H CB -1.374 28.332 29.762 -0.093 0.000 1.365 76 H HN 0.346 8.626 8.280 -0.000 0.000 0.594 77 T N 1.414 115.760 114.554 -0.347 0.000 2.746 77 T HA -0.127 4.222 4.350 -0.002 0.000 0.267 77 T C 1.433 176.053 174.700 -0.133 0.000 1.039 77 T CA 1.574 63.521 62.100 -0.256 0.000 1.142 77 T CB -0.067 68.648 68.868 -0.254 0.000 0.866 77 T HN 0.444 8.684 8.240 -0.000 0.000 0.444 78 D N 0.832 121.174 120.400 -0.096 0.000 2.149 78 D HA -0.035 4.604 4.640 -0.002 0.000 0.201 78 D C 2.312 178.586 176.300 -0.043 0.000 0.972 78 D CA 1.091 55.054 54.000 -0.061 0.000 0.835 78 D CB -0.461 40.313 40.800 -0.043 0.000 0.966 78 D HN 0.338 8.708 8.370 -0.000 0.000 0.476 79 T N 1.525 116.064 114.554 -0.025 0.000 2.684 79 T HA -0.093 4.256 4.350 -0.002 0.000 0.267 79 T C 2.283 176.969 174.700 -0.022 0.000 1.036 79 T CA 0.708 62.801 62.100 -0.012 0.000 1.148 79 T CB -0.143 68.734 68.868 0.014 0.000 0.863 79 T HN 0.157 8.397 8.240 -0.000 0.000 0.436 80 I N 1.299 121.854 120.570 -0.025 0.000 2.202 80 I HA -0.116 4.053 4.170 -0.002 0.000 0.242 80 I C 3.005 179.091 176.117 -0.053 0.000 1.091 80 I CA 1.052 62.330 61.300 -0.037 0.000 1.368 80 I CB -0.559 37.420 38.000 -0.035 0.000 1.058 80 I HN 0.185 8.395 8.210 -0.000 0.000 0.410 81 A N 0.638 123.418 122.820 -0.066 0.000 1.908 81 A HA -0.257 4.062 4.320 -0.002 0.000 0.218 81 A C 1.932 179.484 177.584 -0.054 0.000 1.181 81 A CA 2.196 54.190 52.037 -0.072 0.000 0.627 81 A CB -0.647 18.302 19.000 -0.086 0.000 0.818 81 A HN 0.353 8.503 8.150 -0.000 0.000 0.445 82 D N -0.219 120.154 120.400 -0.045 0.000 2.117 82 D HA -0.111 4.528 4.640 -0.002 0.000 0.197 82 D C 1.910 178.190 176.300 -0.033 0.000 0.987 82 D CA 1.074 55.053 54.000 -0.035 0.000 0.829 82 D CB -0.134 40.648 40.800 -0.029 0.000 0.961 82 D HN 0.225 8.595 8.370 -0.000 0.000 0.460 83 K N 0.489 120.868 120.400 -0.036 0.000 2.057 83 K HA -0.021 4.298 4.320 -0.002 0.000 0.206 83 K C 2.244 178.822 176.600 -0.037 0.000 1.050 83 K CA 0.241 56.507 56.287 -0.036 0.000 0.935 83 K CB -0.661 31.815 32.500 -0.040 0.000 0.715 83 K HN 0.105 8.355 8.250 -0.000 0.000 0.439 84 V N 1.643 121.533 119.914 -0.041 0.000 2.343 84 V HA -0.234 3.885 4.120 -0.002 0.000 0.247 84 V C 2.460 178.537 176.094 -0.029 0.000 1.051 84 V CA 1.959 64.236 62.300 -0.038 0.000 1.036 84 V CB -0.793 31.003 31.823 -0.045 0.000 0.654 84 V HN 0.274 8.464 8.190 -0.000 0.000 0.451 85 A N -0.396 122.407 122.820 -0.029 0.000 1.933 85 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 85 A C 2.060 179.634 177.584 -0.017 0.000 1.175 85 A CA 1.575 53.599 52.037 -0.021 0.000 0.628 85 A CB -0.468 18.518 19.000 -0.023 0.000 0.814 85 A HN 0.537 8.687 8.150 -0.000 0.000 0.444 86 L N -0.964 120.247 121.223 -0.020 0.000 2.591 86 L HA 0.265 4.604 4.340 -0.002 0.000 0.228 86 L C 0.970 177.830 176.870 -0.018 0.000 1.133 86 L CA 0.397 55.226 54.840 -0.018 0.000 0.880 86 L CB -0.396 41.651 42.059 -0.019 0.000 1.033 86 L HN 0.563 8.793 8.230 -0.000 0.000 0.450 87 G N 1.411 110.199 108.800 -0.020 0.000 2.860 87 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.547 87 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.547 87 G C -0.875 174.008 174.900 -0.027 0.000 1.103 87 G CA -0.337 44.751 45.100 -0.020 0.000 1.126 87 G HN 0.116 8.406 8.290 -0.000 0.000 0.490 88 M N 1.805 121.385 119.600 -0.034 0.000 2.346 88 M HA 0.329 4.808 4.480 -0.002 0.000 0.287 88 M C -0.065 176.200 176.300 -0.057 0.000 1.100 88 M CA -0.783 54.489 55.300 -0.047 0.000 0.950 88 M CB 1.151 33.720 32.600 -0.052 0.000 1.815 88 M HN 0.876 9.166 8.290 -0.000 0.000 0.497 89 N N 3.778 122.435 118.700 -0.072 0.000 2.381 89 N HA 0.134 4.873 4.740 -0.002 0.000 0.241 89 N C 0.473 175.899 175.510 -0.140 0.000 1.279 89 N CA -0.372 52.624 53.050 -0.090 0.000 0.896 89 N CB 0.603 39.026 38.487 -0.107 0.000 1.118 89 N HN 0.770 9.150 8.380 -0.000 0.000 0.438 90 L N -0.600 120.537 121.223 -0.143 0.000 2.042 90 L HA -0.168 4.170 4.340 -0.002 0.000 0.210 90 L C 2.790 179.445 176.870 -0.358 0.000 1.076 90 L CA 1.388 56.131 54.840 -0.161 0.000 0.749 90 L CB -0.540 41.532 42.059 0.023 0.000 0.893 90 L HN 0.699 8.929 8.230 -0.000 0.000 0.432 91 R N 0.338 120.376 120.500 -0.770 0.000 2.083 91 R HA -0.185 4.154 4.340 -0.002 0.000 0.237 91 R C 1.881 177.959 176.300 -0.370 0.000 1.137 91 R CA 2.072 57.661 56.100 -0.852 0.000 0.951 91 R CB -0.144 29.500 30.300 -1.093 0.000 0.851 91 R HN 0.347 8.617 8.270 -0.000 0.000 0.434 92 D N -0.004 120.230 120.400 -0.275 0.000 2.149 92 D HA -0.070 4.569 4.640 -0.002 0.000 0.201 92 D C 1.690 177.916 176.300 -0.123 0.000 0.972 92 D CA 1.257 55.160 54.000 -0.163 0.000 0.835 92 D CB -0.194 40.530 40.800 -0.127 0.000 0.966 92 D HN 0.349 8.719 8.370 -0.000 0.000 0.476 93 A N 0.753 123.498 122.820 -0.124 0.000 1.877 93 A HA -0.137 4.182 4.320 -0.002 0.000 0.216 93 A C 2.344 179.886 177.584 -0.071 0.000 1.186 93 A CA 0.946 52.932 52.037 -0.085 0.000 0.620 93 A CB -0.666 18.288 19.000 -0.077 0.000 0.822 93 A HN 0.180 8.330 8.150 -0.000 0.000 0.443 94 I N -0.550 119.971 120.570 -0.083 0.000 2.233 94 I HA -0.144 4.025 4.170 -0.002 0.000 0.243 94 I C 2.753 178.837 176.117 -0.055 0.000 1.093 94 I CA 1.022 62.292 61.300 -0.050 0.000 1.380 94 I CB -0.713 37.266 38.000 -0.035 0.000 1.067 94 I HN 0.391 8.601 8.210 -0.000 0.000 0.413 95 G N 1.257 110.009 108.800 -0.080 0.000 2.446 95 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.217 95 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.217 95 G C 1.651 176.514 174.900 -0.061 0.000 1.168 95 G CA 0.872 45.931 45.100 -0.070 0.000 0.771 95 G HN 0.255 8.545 8.290 -0.000 0.000 0.551 96 L N 1.145 122.331 121.223 -0.063 0.000 2.017 96 L HA 0.017 4.356 4.340 -0.002 0.000 0.208 96 L C 2.925 179.765 176.870 -0.050 0.000 1.073 96 L CA 2.485 57.293 54.840 -0.053 0.000 0.745 96 L CB -0.729 41.299 42.059 -0.051 0.000 0.894 96 L HN 0.186 8.416 8.230 -0.000 0.000 0.432 97 S N -0.314 115.359 115.700 -0.045 0.000 2.368 97 S HA -0.137 4.332 4.470 -0.002 0.000 0.225 97 S C 1.945 176.506 174.600 -0.065 0.000 1.030 97 S CA 1.718 59.896 58.200 -0.037 0.000 0.999 97 S CB -0.485 62.711 63.200 -0.007 0.000 0.844 97 S HN 0.462 8.772 8.310 -0.000 0.000 0.459 98 L N 0.657 121.833 121.223 -0.077 0.000 2.109 98 L HA -0.035 4.304 4.340 -0.002 0.000 0.207 98 L C 2.394 179.205 176.870 -0.099 0.000 1.086 98 L CA 0.591 55.359 54.840 -0.120 0.000 0.760 98 L CB -0.519 41.478 42.059 -0.102 0.000 0.910 98 L HN 0.273 8.503 8.230 -0.000 0.000 0.437 99 L N 0.362 121.543 121.223 -0.070 0.000 2.046 99 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 99 L C 2.586 179.417 176.870 -0.066 0.000 1.077 99 L CA 2.086 56.892 54.840 -0.058 0.000 0.747 99 L CB -0.646 41.386 42.059 -0.046 0.000 0.896 99 L HN 0.132 8.362 8.230 -0.000 0.000 0.432 100 A N -0.709 122.072 122.820 -0.066 0.000 1.854 100 A HA -0.159 4.160 4.320 -0.002 0.000 0.214 100 A C 2.248 179.781 177.584 -0.084 0.000 1.192 100 A CA 1.967 53.965 52.037 -0.064 0.000 0.611 100 A CB -0.506 18.463 19.000 -0.051 0.000 0.832 100 A HN 0.512 8.662 8.150 -0.000 0.000 0.442 101 M N -1.690 117.850 119.600 -0.099 0.000 2.200 101 M HA 0.014 4.493 4.480 -0.002 0.000 0.265 101 M C 0.316 176.509 176.300 -0.178 0.000 1.066 101 M CA 0.831 56.058 55.300 -0.122 0.000 1.127 101 M CB -0.382 32.146 32.600 -0.121 0.000 1.379 101 M HN 0.450 8.740 8.290 -0.000 0.000 0.420 102 D N -0.724 119.564 120.400 -0.186 0.000 5.703 102 D HA -0.192 4.447 4.640 -0.002 0.000 0.317 102 D C -0.675 175.476 176.300 -0.248 0.000 2.508 102 D CA 0.944 54.816 54.000 -0.214 0.000 1.333 102 D CB -0.274 40.343 40.800 -0.306 0.000 1.145 102 D HN 0.325 8.695 8.370 -0.000 0.000 1.293 103 Y N -0.072 120.145 120.300 -0.139 0.000 2.426 103 Y HA 0.428 4.977 4.550 -0.002 0.000 0.344 103 Y C 0.994 176.778 175.900 -0.192 0.000 1.256 103 Y CA -0.489 57.511 58.100 -0.167 0.000 1.451 103 Y CB 0.159 38.549 38.460 -0.117 0.000 1.342 103 Y HN 0.154 8.434 8.280 -0.000 0.000 0.600 104 E N 1.677 121.788 120.200 -0.148 0.000 2.354 104 E HA 0.106 4.455 4.350 -0.002 0.000 0.269 104 E C -0.566 175.980 176.600 -0.089 0.000 1.036 104 E CA -0.759 55.383 56.400 -0.430 0.000 0.876 104 E CB 0.547 29.650 29.700 -0.994 0.000 1.009 104 E HN 0.406 8.766 8.360 -0.000 0.000 0.416 105 K N 3.767 124.178 120.400 0.018 0.000 2.518 105 K HA 0.091 4.410 4.320 -0.002 0.000 0.244 105 K C -0.591 176.158 176.600 0.248 0.000 1.232 105 K CA -0.072 56.316 56.287 0.169 0.000 1.189 105 K CB -0.682 31.898 32.500 0.132 0.000 1.737 105 K HN 0.502 8.752 8.250 -0.000 0.000 0.333 106 D N -1.777 118.748 120.400 0.207 0.000 2.666 106 D HA 0.134 4.773 4.640 -0.002 0.000 0.252 106 D C 0.699 177.093 176.300 0.157 0.000 1.143 106 D CA -0.706 53.426 54.000 0.220 0.000 1.096 106 D CB 0.378 41.324 40.800 0.244 0.000 1.260 106 D HN -0.018 8.352 8.370 -0.000 0.000 0.633 107 E N -1.043 119.241 120.200 0.140 0.000 2.338 107 E HA 0.001 4.350 4.350 -0.002 0.000 0.197 107 E C 1.162 177.804 176.600 0.070 0.000 1.007 107 E CA 0.693 57.149 56.400 0.095 0.000 0.849 107 E CB -0.081 29.666 29.700 0.080 0.000 0.774 107 E HN 0.349 8.709 8.360 -0.000 0.000 0.506 108 L N 0.252 121.529 121.223 0.089 0.000 2.808 108 L HA 0.184 4.523 4.340 -0.002 0.000 0.246 108 L C -0.131 176.779 176.870 0.067 0.000 1.153 108 L CA -0.380 54.500 54.840 0.067 0.000 0.956 108 L CB 0.090 42.195 42.059 0.076 0.000 1.270 108 L HN -0.032 8.198 8.230 -0.000 0.000 0.528 109 N N 0.590 119.335 118.700 0.076 0.000 2.727 109 N HA -0.148 4.591 4.740 -0.002 0.000 0.249 109 N C 0.023 175.564 175.510 0.051 0.000 1.048 109 N CA 1.038 54.116 53.050 0.046 0.000 0.714 109 N CB -1.611 36.710 38.487 -0.276 0.000 0.959 109 N HN 0.247 8.627 8.380 -0.000 0.000 0.544 110 T N 1.583 116.195 114.554 0.096 0.000 2.800 110 T HA 0.088 4.437 4.350 -0.002 0.000 0.283 110 T C -1.897 172.779 174.700 -0.041 0.000 0.999 110 T CA -0.200 61.934 62.100 0.057 0.000 1.176 110 T CB 0.610 69.495 68.868 0.029 0.000 0.973 110 T HN 0.132 8.372 8.240 -0.000 0.000 0.519 111 P HA 0.218 4.638 4.420 -0.000 0.000 0.272 111 P C -0.027 177.189 177.300 -0.140 0.000 1.240 111 P CA -0.374 62.678 63.100 -0.080 0.000 0.791 111 P CB 0.598 32.242 31.700 -0.094 0.000 0.978 112 R N 1.592 121.995 120.500 -0.162 0.000 2.387 112 R HA 0.573 4.912 4.340 -0.002 0.000 0.314 112 R C -0.112 176.111 176.300 -0.129 0.000 0.958 112 R CA -0.680 55.267 56.100 -0.256 0.000 0.846 112 R CB 0.732 30.655 30.300 -0.628 0.000 1.147 112 R HN 0.518 8.788 8.270 -0.000 0.000 0.447 113 I N -0.905 119.687 120.570 0.038 0.000 2.797 113 I HA 0.956 5.125 4.170 -0.002 0.000 0.307 113 I C -0.618 175.597 176.117 0.162 0.000 1.033 113 I CA -0.981 60.357 61.300 0.063 0.000 1.071 113 I CB 2.395 40.417 38.000 0.037 0.000 1.255 113 I HN 0.632 8.842 8.210 -0.000 0.000 0.445 114 A N 2.779 125.654 122.820 0.092 0.000 2.601 114 A HA 0.970 5.289 4.320 -0.002 0.000 0.291 114 A C -1.502 176.103 177.584 0.035 0.000 1.075 114 A CA -0.182 51.894 52.037 0.066 0.000 0.671 114 A CB 1.385 20.451 19.000 0.111 0.000 1.277 114 A HN 1.712 9.862 8.150 -0.000 0.000 0.417 115 A N -0.742 122.079 122.820 0.003 0.000 2.612 115 A HA 1.046 5.365 4.320 -0.002 0.000 0.293 115 A C -0.643 176.917 177.584 -0.040 0.000 1.075 115 A CA 0.086 52.121 52.037 -0.003 0.000 0.680 115 A CB 1.007 19.995 19.000 -0.019 0.000 1.279 115 A HN 2.694 10.844 8.150 -0.000 0.000 0.411 116 A N 0.480 123.288 122.820 -0.021 0.000 2.520 116 A HA 0.830 5.149 4.320 -0.002 0.000 0.298 116 A C -1.266 176.303 177.584 -0.024 0.000 1.051 116 A CA -0.170 51.836 52.037 -0.052 0.000 0.690 116 A CB 1.094 20.078 19.000 -0.027 0.000 1.281 116 A HN 2.053 10.203 8.150 -0.000 0.000 0.402 117 I N 2.076 122.609 120.570 -0.062 0.000 2.692 117 I HA 0.530 4.699 4.170 -0.002 0.000 0.293 117 I C -1.281 174.894 176.117 0.097 0.000 1.200 117 I CA -0.568 60.737 61.300 0.008 0.000 1.036 117 I CB 2.127 40.115 38.000 -0.019 0.000 1.258 117 I HN 1.010 9.220 8.210 -0.000 0.000 0.421 118 N N 4.181 122.956 118.700 0.124 0.000 3.294 118 N HA 0.484 5.223 4.740 -0.002 0.000 0.355 118 N C 0.741 176.327 175.510 0.127 0.000 1.497 118 N CA -0.112 53.041 53.050 0.172 0.000 0.707 118 N CB 0.323 38.877 38.487 0.112 0.000 1.732 118 N HN 0.467 8.847 8.380 -0.000 0.000 0.640 119 G N -1.373 107.480 108.800 0.088 0.000 2.470 119 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.220 119 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.220 119 G C 0.882 175.788 174.900 0.010 0.000 1.121 119 G CA 1.363 46.478 45.100 0.025 0.000 0.766 119 G HN 0.714 9.004 8.290 -0.000 0.000 0.553 120 S N -0.913 114.802 115.700 0.025 0.000 2.524 120 S HA 0.259 4.728 4.470 -0.002 0.000 0.222 120 S C 0.537 175.141 174.600 0.008 0.000 1.040 120 S CA 0.252 58.461 58.200 0.014 0.000 0.915 120 S CB 0.393 63.606 63.200 0.021 0.000 0.831 120 S HN 0.646 8.956 8.310 -0.000 0.000 0.492 121 E N -0.027 120.188 120.200 0.025 0.000 2.445 121 E HA 0.761 5.110 4.350 -0.002 0.000 0.279 121 E C -1.593 175.005 176.600 -0.003 0.000 1.018 121 E CA -1.450 54.946 56.400 -0.006 0.000 0.816 121 E CB 1.400 31.131 29.700 0.052 0.000 1.356 121 E HN 0.253 8.613 8.360 -0.000 0.000 0.462 122 A N 0.765 123.507 122.820 -0.129 0.000 2.549 122 A HA 0.765 5.084 4.320 -0.002 0.000 0.297 122 A C -1.877 175.518 177.584 -0.315 0.000 1.061 122 A CA -0.676 51.301 52.037 -0.100 0.000 0.690 122 A CB 1.086 20.007 19.000 -0.131 0.000 1.287 122 A HN 0.439 8.589 8.150 -0.000 0.000 0.402 123 F N 0.175 120.095 119.950 -0.051 0.000 2.599 123 F HA 0.747 5.272 4.527 -0.002 0.000 0.311 123 F C -0.235 175.537 175.800 -0.047 0.000 1.076 123 F CA -0.564 57.411 58.000 -0.043 0.000 0.937 123 F CB 2.315 41.293 39.000 -0.036 0.000 1.282 123 F HN 0.594 8.894 8.300 -0.000 0.000 0.460 124 I N 0.909 121.559 120.570 0.134 0.000 2.647 124 I HA 0.882 5.051 4.170 -0.002 0.000 0.295 124 I C -0.823 175.338 176.117 0.072 0.000 1.078 124 I CA -0.213 61.126 61.300 0.066 0.000 1.048 124 I CB 1.977 39.984 38.000 0.012 0.000 1.239 124 I HN 0.656 8.866 8.210 -0.000 0.000 0.421 125 G N 6.664 115.491 108.800 0.046 0.000 2.690 125 G HA2 0.708 4.667 3.960 -0.002 0.000 0.291 125 G HA3 0.708 4.667 3.960 -0.002 0.000 0.291 125 G C -2.142 172.760 174.900 0.004 0.000 1.403 125 G CA -0.551 44.565 45.100 0.027 0.000 0.864 125 G HN 0.726 9.016 8.290 -0.000 0.000 0.480 126 I N -0.144 120.417 120.570 -0.014 0.000 2.841 126 I HA 0.671 4.840 4.170 -0.002 0.000 0.298 126 I C -1.678 174.415 176.117 -0.040 0.000 1.304 126 I CA -1.093 60.186 61.300 -0.034 0.000 1.019 126 I CB 2.286 40.263 38.000 -0.037 0.000 1.282 126 I HN 0.550 8.760 8.210 -0.000 0.000 0.432 127 V N 6.635 126.517 119.914 -0.053 0.000 2.577 127 V HA 0.771 4.890 4.120 -0.002 0.000 0.303 127 V C -0.329 175.767 176.094 0.004 0.000 1.042 127 V CA 0.378 62.662 62.300 -0.027 0.000 0.872 127 V CB 2.037 33.834 31.823 -0.044 0.000 0.998 127 V HN 0.950 9.140 8.190 -0.000 0.000 0.423 128 T N 3.309 117.870 114.554 0.012 0.000 2.773 128 T HA 0.704 5.052 4.350 -0.002 0.000 0.278 128 T C 1.032 175.676 174.700 -0.093 0.000 1.011 128 T CA -0.044 62.032 62.100 -0.041 0.000 1.014 128 T CB 1.676 70.494 68.868 -0.084 0.000 1.293 128 T HN 1.148 9.388 8.240 -0.000 0.000 0.554 129 A N -0.269 122.305 122.820 -0.410 0.000 2.168 129 A HA 0.112 4.431 4.320 -0.002 0.000 0.215 129 A C 1.398 178.880 177.584 -0.170 0.000 1.152 129 A CA 1.076 52.804 52.037 -0.514 0.000 0.716 129 A CB -0.734 17.849 19.000 -0.695 0.000 0.794 129 A HN 0.782 8.932 8.150 -0.000 0.000 0.465 130 D N -1.365 118.967 120.400 -0.113 0.000 2.398 130 D HA 0.371 5.010 4.640 -0.002 0.000 0.210 130 D C 0.869 177.151 176.300 -0.029 0.000 1.094 130 D CA 1.217 55.181 54.000 -0.059 0.000 0.839 130 D CB 0.878 41.643 40.800 -0.058 0.000 0.963 130 D HN 0.472 8.842 8.370 -0.000 0.000 0.506 131 G N 0.208 108.998 108.800 -0.016 0.000 2.333 131 G HA2 0.356 4.315 3.960 -0.002 0.000 0.288 131 G HA3 0.356 4.315 3.960 -0.002 0.000 0.288 131 G C -2.365 172.535 174.900 -0.001 0.000 1.286 131 G CA -0.845 44.252 45.100 -0.005 0.000 0.865 131 G HN 0.060 8.350 8.290 -0.000 0.000 0.506 132 L N 0.054 121.273 121.223 -0.006 0.000 2.436 132 L HA 0.949 5.288 4.340 -0.002 0.000 0.268 132 L C -0.704 176.159 176.870 -0.011 0.000 0.974 132 L CA -0.661 54.172 54.840 -0.011 0.000 0.826 132 L CB 1.994 44.045 42.059 -0.013 0.000 1.291 132 L HN 0.924 9.154 8.230 -0.000 0.000 0.406 133 M N 5.786 125.380 119.600 -0.011 0.000 2.277 133 M HA 0.648 5.127 4.480 -0.002 0.000 0.282 133 M C -2.167 174.140 176.300 0.011 0.000 1.074 133 M CA -0.502 54.797 55.300 -0.001 0.000 0.954 133 M CB 2.004 34.601 32.600 -0.005 0.000 1.672 133 M HN 0.434 8.724 8.290 -0.000 0.000 0.471 134 V N 3.679 123.611 119.914 0.030 0.000 2.525 134 V HA 0.694 4.813 4.120 -0.002 0.000 0.299 134 V C -0.598 175.577 176.094 0.135 0.000 1.034 134 V CA -0.499 61.842 62.300 0.068 0.000 0.863 134 V CB 1.912 33.751 31.823 0.027 0.000 0.999 134 V HN 0.945 9.135 8.190 -0.000 0.000 0.423 135 S N 3.921 119.731 115.700 0.182 0.000 2.569 135 S HA 0.703 5.171 4.470 -0.002 0.000 0.280 135 S C -0.663 173.987 174.600 0.083 0.000 1.111 135 S CA -0.998 57.302 58.200 0.167 0.000 0.887 135 S CB 2.107 65.336 63.200 0.048 0.000 1.095 135 S HN 0.753 9.063 8.310 -0.000 0.000 0.476 136 R N 1.300 121.712 120.500 -0.145 0.000 2.537 136 R HA 0.352 4.691 4.340 -0.002 0.000 0.280 136 R C -0.778 175.284 176.300 -0.398 0.000 1.058 136 R CA -0.287 55.367 56.100 -0.744 0.000 1.057 136 R CB 0.195 30.149 30.300 -0.578 0.000 0.973 136 R HN 0.621 8.891 8.270 -0.000 0.000 0.438 137 V N 7.820 127.479 119.914 -0.425 0.000 2.508 137 V HA 0.140 4.259 4.120 -0.002 0.000 0.281 137 V C -1.853 174.130 176.094 -0.186 0.000 1.041 137 V CA -1.487 60.678 62.300 -0.225 0.000 1.016 137 V CB 1.093 32.799 31.823 -0.194 0.000 0.984 137 V HN 0.839 9.029 8.190 -0.000 0.000 0.478 138 P HA 0.001 4.421 4.420 -0.000 0.000 0.261 138 P C 0.815 178.074 177.300 -0.068 0.000 1.183 138 P CA 0.283 63.337 63.100 -0.077 0.000 0.761 138 P CB 0.516 32.194 31.700 -0.037 0.000 0.785 139 E N 3.236 123.397 120.200 -0.066 0.000 2.204 139 E HA -0.216 4.133 4.350 -0.002 0.000 0.195 139 E C 1.314 177.902 176.600 -0.019 0.000 0.990 139 E CA 0.852 57.221 56.400 -0.050 0.000 0.821 139 E CB 0.203 29.876 29.700 -0.045 0.000 0.750 139 E HN 0.475 8.835 8.360 -0.000 0.000 0.477 140 E N 0.035 120.230 120.200 -0.008 0.000 2.427 140 E HA -0.043 4.305 4.350 -0.002 0.000 0.196 140 E C 0.471 177.093 176.600 0.038 0.000 1.028 140 E CA 0.545 56.954 56.400 0.014 0.000 0.864 140 E CB 0.441 30.150 29.700 0.014 0.000 0.813 140 E HN 0.025 8.385 8.360 -0.000 0.000 0.514 141 T N 0.578 115.155 114.554 0.039 0.000 3.047 141 T HA 0.392 4.741 4.350 -0.002 0.000 0.340 141 T C -3.047 171.706 174.700 0.089 0.000 1.421 141 T CA -1.568 60.581 62.100 0.082 0.000 1.090 141 T CB 1.984 70.907 68.868 0.092 0.000 1.292 141 T HN -0.248 7.992 8.240 -0.000 0.000 0.480 142 P HA 0.487 4.907 4.420 -0.000 0.000 0.274 142 P C -0.884 176.544 177.300 0.214 0.000 1.237 142 P CA -0.421 62.781 63.100 0.170 0.000 0.793 142 P CB 0.724 32.657 31.700 0.389 0.000 0.977 143 V N -0.793 119.227 119.914 0.177 0.000 3.160 143 V HA 0.849 4.968 4.120 -0.002 0.000 0.310 143 V C -1.398 174.885 176.094 0.316 0.000 1.181 143 V CA -1.065 61.360 62.300 0.209 0.000 1.047 143 V CB 1.806 33.661 31.823 0.054 0.000 1.068 143 V HN 0.654 8.844 8.190 -0.000 0.000 0.441 144 Y N 0.574 120.990 120.300 0.193 0.000 2.615 144 Y HA 0.913 5.462 4.550 -0.001 0.000 0.341 144 Y C -1.164 174.811 175.900 0.125 0.000 1.089 144 Y CA -1.367 56.863 58.100 0.218 0.000 1.049 144 Y CB 2.025 40.757 38.460 0.453 0.000 1.296 144 Y HN 0.952 9.232 8.280 -0.000 0.000 0.470 145 I N 1.923 122.590 120.570 0.161 0.000 3.004 145 I HA 0.667 4.836 4.170 -0.002 0.000 0.305 145 I C -1.328 174.832 176.117 0.071 0.000 1.312 145 I CA -0.570 60.725 61.300 -0.010 0.000 0.992 145 I CB 2.418 40.400 38.000 -0.030 0.000 1.282 145 I HN 1.043 9.253 8.210 -0.000 0.000 0.449 146 S N 1.374 117.056 115.700 -0.030 0.000 2.697 146 S HA 0.428 4.896 4.470 -0.002 0.000 0.289 146 S C 0.426 174.920 174.600 -0.176 0.000 1.149 146 S CA 0.172 58.317 58.200 -0.092 0.000 0.850 146 S CB 1.548 64.665 63.200 -0.138 0.000 1.151 146 S HN 0.767 9.077 8.310 -0.000 0.000 0.491 147 T N -2.043 112.316 114.554 -0.326 0.000 2.985 147 T HA 0.202 4.550 4.350 -0.002 0.000 0.266 147 T C 0.022 174.409 174.700 -0.522 0.000 1.076 147 T CA 0.550 62.355 62.100 -0.491 0.000 1.135 147 T CB -0.731 67.690 68.868 -0.745 0.000 0.890 147 T HN 0.651 8.891 8.240 -0.000 0.000 0.480 148 Y N 0.897 121.120 120.300 -0.129 0.000 2.446 148 Y HA 0.532 5.081 4.550 -0.002 0.000 0.345 148 Y C 0.834 176.664 175.900 -0.116 0.000 0.984 148 Y CA -1.374 56.659 58.100 -0.112 0.000 1.058 148 Y CB 1.586 39.971 38.460 -0.124 0.000 1.220 148 Y HN -0.129 8.151 8.280 -0.000 0.000 0.455 149 E N -0.109 120.147 120.200 0.093 0.000 4.120 149 E HA -0.341 4.008 4.350 -0.002 0.000 0.191 149 E C 0.566 177.150 176.600 -0.025 0.000 1.227 149 E CA 1.606 58.021 56.400 0.025 0.000 2.327 149 E CB -0.861 28.850 29.700 0.017 0.000 1.820 149 E HN 0.681 9.041 8.360 -0.000 0.000 0.383 150 Q N 2.369 122.125 119.800 -0.072 0.000 3.247 150 Q HA 0.176 4.514 4.340 -0.002 0.000 0.326 150 Q C 0.126 176.060 176.000 -0.110 0.000 1.402 150 Q CA 0.900 56.640 55.803 -0.106 0.000 0.994 150 Q CB -0.574 28.078 28.738 -0.144 0.000 1.647 150 Q HN 0.407 8.677 8.270 -0.000 0.000 0.523 151 T N -1.978 112.529 114.554 -0.078 0.000 3.434 151 T HA 0.198 4.547 4.350 -0.002 0.000 0.249 151 T C 0.155 174.811 174.700 -0.074 0.000 1.050 151 T CA -0.273 61.784 62.100 -0.073 0.000 0.952 151 T CB -0.133 68.705 68.868 -0.051 0.000 1.046 151 T HN 0.447 8.687 8.240 -0.000 0.000 0.590 152 E N 0.915 121.057 120.200 -0.098 0.000 2.343 152 E HA 0.411 4.760 4.350 -0.002 0.000 0.278 152 E C -3.137 173.377 176.600 -0.143 0.000 0.910 152 E CA -2.742 53.602 56.400 -0.094 0.000 0.757 152 E CB 1.957 31.610 29.700 -0.077 0.000 1.218 152 E HN -0.000 8.360 8.360 -0.000 0.000 0.435 153 P HA 0.102 4.521 4.420 -0.000 0.000 0.265 153 P C -1.500 175.681 177.300 -0.198 0.000 1.193 153 P CA 0.208 63.219 63.100 -0.148 0.000 0.765 153 P CB 0.825 32.477 31.700 -0.080 0.000 0.823 154 A N 2.764 125.387 122.820 -0.328 0.000 2.393 154 A HA 0.713 5.032 4.320 -0.002 0.000 0.306 154 A C -0.384 177.145 177.584 -0.092 0.000 1.050 154 A CA -0.721 51.140 52.037 -0.293 0.000 0.724 154 A CB 1.357 20.032 19.000 -0.542 0.000 1.248 154 A HN 0.529 8.679 8.150 -0.000 0.000 0.424 155 A N 1.085 123.934 122.820 0.048 0.000 2.445 155 A HA 0.617 4.936 4.320 -0.002 0.000 0.242 155 A C 0.462 178.232 177.584 0.311 0.000 1.075 155 A CA 0.777 52.910 52.037 0.159 0.000 0.777 155 A CB 0.144 19.212 19.000 0.113 0.000 1.013 155 A HN 1.779 9.929 8.150 -0.000 0.000 0.493 156 T N 0.644 115.428 114.554 0.384 0.000 3.105 156 T HA 0.326 4.675 4.350 -0.002 0.000 0.321 156 T C -0.870 174.086 174.700 0.428 0.000 1.135 156 T CA -0.493 61.889 62.100 0.470 0.000 1.053 156 T CB 1.110 70.419 68.868 0.736 0.000 1.133 156 T HN 0.738 8.978 8.240 -0.000 0.000 0.463 157 E N 4.676 125.077 120.200 0.335 0.000 1.814 157 E HA 0.224 4.572 4.350 -0.002 0.000 0.264 157 E C -1.034 175.715 176.600 0.248 0.000 1.179 157 E CA -0.474 56.076 56.400 0.250 0.000 0.972 157 E CB -0.052 29.741 29.700 0.155 0.000 1.077 157 E HN 0.501 8.861 8.360 -0.000 0.000 0.417 158 F N 5.174 125.214 119.950 0.150 0.000 2.404 158 F HA 0.138 4.664 4.527 -0.001 0.000 0.359 158 F C 0.200 175.754 175.800 -0.410 0.000 1.134 158 F CA -0.489 57.461 58.000 -0.083 0.000 1.160 158 F CB 0.381 39.498 39.000 0.196 0.000 1.186 158 F HN 0.225 8.525 8.300 -0.000 0.000 0.526 159 K N 4.998 124.817 120.400 -0.967 0.000 2.183 159 K HA 0.882 5.201 4.320 -0.002 0.000 0.274 159 K C -1.233 174.982 176.600 -0.641 0.000 1.009 159 K CA -0.746 55.172 56.287 -0.616 0.000 0.888 159 K CB 1.717 33.898 32.500 -0.531 0.000 1.078 159 K HN 0.598 8.848 8.250 -0.000 0.000 0.459 160 A N 1.580 124.216 122.820 -0.306 0.000 2.594 160 A HA 0.527 4.846 4.320 -0.002 0.000 0.301 160 A C -0.239 177.154 177.584 -0.319 0.000 1.022 160 A CA -0.481 51.379 52.037 -0.295 0.000 0.738 160 A CB 1.108 19.968 19.000 -0.234 0.000 1.263 160 A HN 0.805 8.955 8.150 -0.000 0.000 0.409 161 G N 0.024 108.521 108.800 -0.506 0.000 3.528 161 G HA2 0.559 4.518 3.960 -0.002 0.000 0.266 161 G HA3 0.559 4.518 3.960 -0.002 0.000 0.266 161 G C 0.225 174.502 174.900 -1.039 0.000 1.004 161 G CA 0.971 45.694 45.100 -0.627 0.000 0.853 161 G HN 2.003 10.293 8.290 -0.000 0.000 0.501 162 S N -1.158 113.863 115.700 -1.130 0.000 2.615 162 S HA 0.580 5.049 4.470 -0.002 0.000 0.269 162 S C -2.556 171.804 174.600 -0.400 0.000 1.161 162 S CA -0.834 56.926 58.200 -0.733 0.000 0.817 162 S CB 2.243 65.260 63.200 -0.304 0.000 1.131 162 S HN -0.140 8.170 8.310 -0.000 0.000 0.467 163 P HA -0.027 4.393 4.420 -0.000 0.000 0.219 163 P C 0.841 178.187 177.300 0.076 0.000 1.150 163 P CA 1.304 64.498 63.100 0.157 0.000 0.814 163 P CB 0.040 31.872 31.700 0.219 0.000 0.787 164 E N 0.743 120.950 120.200 0.011 0.000 2.051 164 E HA -0.170 4.179 4.350 -0.002 0.000 0.192 164 E C 2.144 178.740 176.600 -0.007 0.000 0.991 164 E CA 1.333 57.737 56.400 0.007 0.000 0.799 164 E CB -0.705 28.986 29.700 -0.014 0.000 0.748 164 E HN 0.421 8.781 8.360 -0.000 0.000 0.449 165 E N 0.131 120.292 120.200 -0.064 0.000 2.106 165 E HA -0.141 4.208 4.350 -0.002 0.000 0.192 165 E C 2.024 178.611 176.600 -0.022 0.000 0.984 165 E CA 0.888 57.242 56.400 -0.077 0.000 0.806 165 E CB -0.142 29.456 29.700 -0.170 0.000 0.750 165 E HN 0.271 8.631 8.360 -0.000 0.000 0.458 166 A N 1.495 124.331 122.820 0.027 0.000 1.877 166 A HA -0.122 4.197 4.320 -0.002 0.000 0.216 166 A C 2.395 180.136 177.584 0.262 0.000 1.186 166 A CA 1.693 53.868 52.037 0.230 0.000 0.620 166 A CB -0.673 18.496 19.000 0.282 0.000 0.822 166 A HN 0.295 8.445 8.150 -0.000 0.000 0.443 167 A N -0.763 122.157 122.820 0.167 0.000 1.902 167 A HA -0.151 4.167 4.320 -0.002 0.000 0.217 167 A C 2.026 179.654 177.584 0.072 0.000 1.181 167 A CA 1.721 53.836 52.037 0.130 0.000 0.623 167 A CB -0.438 18.624 19.000 0.103 0.000 0.818 167 A HN 0.446 8.596 8.150 -0.000 0.000 0.443 168 E N -0.993 119.238 120.200 0.052 0.000 2.077 168 E HA -0.165 4.184 4.350 -0.002 0.000 0.193 168 E C 1.761 178.356 176.600 -0.007 0.000 0.989 168 E CA 1.013 57.423 56.400 0.017 0.000 0.800 168 E CB -0.420 29.288 29.700 0.014 0.000 0.746 168 E HN 0.621 8.981 8.360 -0.000 0.000 0.452 169 F N 1.248 121.085 119.950 -0.187 0.000 2.095 169 F HA -0.155 4.370 4.527 -0.002 0.000 0.298 169 F C 2.371 177.962 175.800 -0.348 0.000 1.104 169 F CA 1.197 59.001 58.000 -0.327 0.000 1.232 169 F CB -0.300 38.297 39.000 -0.672 0.000 0.987 169 F HN -0.026 8.274 8.300 -0.000 0.000 0.475 170 I N -0.690 119.712 120.570 -0.280 0.000 2.614 170 I HA -0.210 3.959 4.170 -0.002 0.000 0.258 170 I C 1.953 177.873 176.117 -0.329 0.000 1.189 170 I CA 0.746 61.674 61.300 -0.619 0.000 1.462 170 I CB -0.079 37.755 38.000 -0.276 0.000 1.092 170 I HN 0.266 8.476 8.210 -0.000 0.000 0.442 171 L N 0.667 121.795 121.223 -0.158 0.000 2.102 171 L HA -0.044 4.295 4.340 -0.002 0.000 0.202 171 L C 1.753 178.581 176.870 -0.071 0.000 1.076 171 L CA 1.831 56.628 54.840 -0.071 0.000 0.761 171 L CB -0.257 41.783 42.059 -0.032 0.000 0.921 171 L HN 0.052 8.282 8.230 -0.000 0.000 0.444 172 K N -1.427 118.900 120.400 -0.122 0.000 2.517 172 K HA 0.341 4.660 4.320 -0.002 0.000 0.210 172 K C 0.611 177.078 176.600 -0.222 0.000 1.166 172 K CA 0.280 56.489 56.287 -0.130 0.000 1.030 172 K CB 0.869 33.319 32.500 -0.083 0.000 0.974 172 K HN 0.288 8.538 8.250 -0.000 0.000 0.585 173 G N 0.552 109.113 108.800 -0.398 0.000 2.528 173 G HA2 0.467 4.426 3.960 -0.002 0.000 0.289 173 G HA3 0.467 4.426 3.960 -0.002 0.000 0.289 173 G C 0.692 175.057 174.900 -0.892 0.000 1.192 173 G CA 0.111 44.815 45.100 -0.659 0.000 0.921 173 G HN 0.175 8.465 8.290 -0.000 0.000 0.512 174 G N 0.685 109.102 108.800 -0.639 0.000 2.660 174 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.338 174 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.338 174 G C 1.317 175.959 174.900 -0.431 0.000 1.336 174 G CA 1.101 45.974 45.100 -0.377 0.000 0.990 174 G HN 1.096 9.386 8.290 -0.000 0.000 0.537 175 E N 0.767 120.654 120.200 -0.522 0.000 2.338 175 E HA -0.015 4.334 4.350 -0.002 0.000 0.197 175 E C 2.277 178.189 176.600 -1.147 0.000 1.007 175 E CA 1.672 57.653 56.400 -0.698 0.000 0.849 175 E CB -0.335 29.013 29.700 -0.586 0.000 0.774 175 E HN 0.612 8.972 8.360 -0.000 0.000 0.506 176 F N 1.798 121.318 119.950 -0.717 0.000 2.502 176 F HA 0.130 4.656 4.527 -0.002 0.000 0.298 176 F C 2.623 178.077 175.800 -0.577 0.000 1.111 176 F CA 0.676 58.285 58.000 -0.652 0.000 1.445 176 F CB -0.327 38.468 39.000 -0.343 0.000 1.081 176 F HN 0.092 8.392 8.300 -0.000 0.000 0.558 177 A N 0.296 122.884 122.820 -0.386 0.000 2.024 177 A HA -0.074 4.245 4.320 -0.002 0.000 0.220 177 A C 2.350 179.768 177.584 -0.276 0.000 1.164 177 A CA 1.620 53.497 52.037 -0.266 0.000 0.643 177 A CB -0.976 17.883 19.000 -0.236 0.000 0.806 177 A HN 0.304 8.454 8.150 -0.000 0.000 0.451 178 A N -1.187 121.349 122.820 -0.473 0.000 2.123 178 A HA 0.360 4.679 4.320 -0.002 0.000 0.214 178 A C 0.199 177.671 177.584 -0.186 0.000 1.152 178 A CA -0.048 51.775 52.037 -0.356 0.000 0.728 178 A CB -0.317 18.445 19.000 -0.397 0.000 0.814 178 A HN 0.310 8.460 8.150 -0.000 0.000 0.464 179 F N 1.908 121.860 119.950 0.003 0.000 2.445 179 F HA 0.347 4.873 4.527 -0.002 0.000 0.359 179 F C 1.351 177.207 175.800 0.092 0.000 1.101 179 F CA -0.814 57.223 58.000 0.061 0.000 1.177 179 F CB -0.032 39.010 39.000 0.069 0.000 1.110 179 F HN 0.088 8.388 8.300 -0.000 0.000 0.522 180 T N 0.049 114.802 114.554 0.331 0.000 2.788 180 T HA 0.150 4.499 4.350 -0.002 0.000 0.287 180 T C 0.223 175.139 174.700 0.360 0.000 1.007 180 T CA -0.322 61.907 62.100 0.216 0.000 1.005 180 T CB 0.343 69.276 68.868 0.109 0.000 1.012 180 T HN 0.745 8.985 8.240 -0.000 0.000 0.530 181 H N -2.067 117.120 119.070 0.195 0.000 2.826 181 H HA -0.092 4.463 4.556 -0.002 0.000 0.306 181 H C -2.545 172.891 175.328 0.179 0.000 1.235 181 H CA 0.314 56.468 56.048 0.175 0.000 1.150 181 H CB -2.393 27.489 29.762 0.200 0.000 1.409 181 H HN 0.546 8.826 8.280 -0.000 0.000 0.420 182 P HA 0.067 4.487 4.420 -0.000 0.000 0.268 182 P C 0.890 178.260 177.300 0.117 0.000 1.205 182 P CA -0.029 63.154 63.100 0.138 0.000 0.771 182 P CB 1.325 33.074 31.700 0.082 0.000 0.858 183 V N 0.609 120.585 119.914 0.103 0.000 3.134 183 V HA 0.246 4.365 4.120 -0.002 0.000 0.222 183 V C 0.704 176.836 176.094 0.063 0.000 1.247 183 V CA 0.979 63.332 62.300 0.088 0.000 1.281 183 V CB 0.542 32.430 31.823 0.107 0.000 1.169 183 V HN 0.620 8.810 8.190 -0.000 0.000 0.512 184 T N -0.897 113.691 114.554 0.058 0.000 2.853 184 T HA 0.771 5.120 4.350 -0.002 0.000 0.311 184 T C -1.822 172.906 174.700 0.046 0.000 1.307 184 T CA 0.294 62.425 62.100 0.051 0.000 1.019 184 T CB 1.800 70.702 68.868 0.057 0.000 1.264 184 T HN 0.639 8.879 8.240 -0.000 0.000 0.497 185 A N 1.260 124.112 122.820 0.054 0.000 2.566 185 A HA 1.055 5.374 4.320 -0.002 0.000 0.292 185 A C -0.931 176.716 177.584 0.106 0.000 1.112 185 A CA -0.217 51.861 52.037 0.067 0.000 0.707 185 A CB 1.486 20.506 19.000 0.033 0.000 1.302 185 A HN 1.671 9.821 8.150 -0.000 0.000 0.409 186 A N -0.739 122.173 122.820 0.152 0.000 2.609 186 A HA 1.061 5.380 4.320 -0.002 0.000 0.291 186 A C -0.542 177.150 177.584 0.181 0.000 1.096 186 A CA -0.018 52.109 52.037 0.151 0.000 0.684 186 A CB 1.135 20.221 19.000 0.143 0.000 1.282 186 A HN 2.733 10.883 8.150 -0.000 0.000 0.412 187 A N -0.793 122.131 122.820 0.173 0.000 2.601 187 A HA 0.956 5.275 4.320 -0.002 0.000 0.291 187 A C -0.741 176.983 177.584 0.233 0.000 1.075 187 A CA 0.066 52.236 52.037 0.222 0.000 0.671 187 A CB 0.801 19.961 19.000 0.266 0.000 1.277 187 A HN 2.602 10.752 8.150 -0.000 0.000 0.417 188 A N 0.245 123.244 122.820 0.298 0.000 2.356 188 A HA 0.839 5.158 4.320 -0.002 0.000 0.310 188 A C -1.398 176.591 177.584 0.674 0.000 1.075 188 A CA -0.339 51.927 52.037 0.381 0.000 0.746 188 A CB 0.817 19.897 19.000 0.132 0.000 1.221 188 A HN 1.665 9.815 8.150 -0.000 0.000 0.443 189 F N 2.312 122.573 119.950 0.518 0.000 2.565 189 F HA 0.617 5.144 4.527 -0.001 0.000 0.313 189 F C -0.555 175.265 175.800 0.033 0.000 1.091 189 F CA -0.535 57.677 58.000 0.354 0.000 0.915 189 F CB 2.114 41.229 39.000 0.192 0.000 1.208 189 F HN 0.534 8.834 8.300 -0.000 0.000 0.453 190 N N 3.519 121.730 118.700 -0.814 0.000 2.540 190 N HA 0.175 4.914 4.740 -0.002 0.000 0.275 190 N C -0.582 174.594 175.510 -0.557 0.000 1.053 190 N CA -0.499 52.034 53.050 -0.861 0.000 0.876 190 N CB 1.107 38.505 38.487 -1.814 0.000 1.284 190 N HN 0.691 9.071 8.380 -0.000 0.000 0.518 191 D N 1.979 122.315 120.400 -0.107 0.000 2.328 191 D HA 0.217 4.856 4.640 -0.002 0.000 0.226 191 D C 1.194 177.453 176.300 -0.069 0.000 1.066 191 D CA 0.522 54.548 54.000 0.043 0.000 0.861 191 D CB 0.041 40.955 40.800 0.190 0.000 0.912 191 D HN 0.695 9.065 8.370 -0.000 0.000 0.521 192 G N 0.091 108.787 108.800 -0.174 0.000 2.284 192 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.201 192 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.201 192 G C 0.657 175.485 174.900 -0.119 0.000 0.998 192 G CA -0.112 44.902 45.100 -0.144 0.000 0.651 192 G HN 0.372 8.662 8.290 -0.000 0.000 0.489 193 E N 0.527 120.666 120.200 -0.102 0.000 2.499 193 E HA 0.479 4.828 4.350 -0.002 0.000 0.199 193 E C 0.842 177.398 176.600 -0.073 0.000 1.016 193 E CA 0.287 56.648 56.400 -0.066 0.000 0.933 193 E CB 1.033 30.716 29.700 -0.028 0.000 1.050 193 E HN 1.346 9.706 8.360 -0.000 0.000 0.462 194 G N 0.923 109.630 108.800 -0.155 0.000 2.406 194 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.680 194 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.680 194 G C -1.602 173.200 174.900 -0.163 0.000 1.338 194 G CA -1.227 43.795 45.100 -0.130 0.000 0.941 194 G HN 0.118 8.408 8.290 -0.000 0.000 0.633 195 W N 1.382 122.700 121.300 0.029 0.000 2.311 195 W HA 0.568 5.226 4.660 -0.002 0.000 0.310 195 W C 0.417 176.975 176.519 0.065 0.000 1.274 195 W CA -0.379 56.991 57.345 0.043 0.000 1.215 195 W CB 1.038 30.511 29.460 0.021 0.000 1.227 195 W HN 0.452 8.632 8.180 -0.000 0.000 0.523 196 N N 3.596 122.504 118.700 0.346 0.000 2.319 196 N HA 0.563 5.302 4.740 -0.002 0.000 0.305 196 N C -1.003 174.665 175.510 0.265 0.000 1.103 196 N CA -0.720 52.477 53.050 0.245 0.000 0.815 196 N CB 1.872 40.471 38.487 0.185 0.000 1.288 196 N HN 0.202 8.582 8.380 -0.000 0.000 0.493 197 L N 0.746 122.078 121.223 0.181 0.000 2.322 197 L HA 0.941 5.280 4.340 -0.002 0.000 0.269 197 L C 0.015 176.957 176.870 0.120 0.000 1.012 197 L CA -0.859 54.072 54.840 0.152 0.000 0.815 197 L CB 1.702 43.823 42.059 0.104 0.000 1.295 197 L HN 0.559 8.789 8.230 -0.000 0.000 0.438 198 A N 0.339 123.227 122.820 0.113 0.000 2.608 198 A HA 0.767 5.086 4.320 -0.002 0.000 0.292 198 A C -0.793 176.841 177.584 0.084 0.000 1.066 198 A CA -0.361 51.729 52.037 0.087 0.000 0.676 198 A CB 1.945 20.995 19.000 0.082 0.000 1.277 198 A HN 0.677 8.827 8.150 -0.000 0.000 0.413 199 T N -0.491 114.101 114.554 0.065 0.000 2.906 199 T HA 0.917 5.266 4.350 -0.002 0.000 0.295 199 T C -0.879 173.851 174.700 0.051 0.000 1.075 199 T CA -0.899 61.239 62.100 0.063 0.000 1.005 199 T CB 1.736 70.635 68.868 0.051 0.000 1.136 199 T HN 0.723 8.963 8.240 -0.000 0.000 0.498 200 R N 1.260 121.789 120.500 0.049 0.000 2.651 200 R HA 0.558 4.897 4.340 -0.002 0.000 0.278 200 R C -0.982 175.337 176.300 0.033 0.000 1.010 200 R CA -0.669 55.452 56.100 0.035 0.000 0.896 200 R CB 2.223 32.542 30.300 0.031 0.000 1.211 200 R HN 0.766 9.036 8.270 -0.000 0.000 0.456 201 E N 1.810 122.025 120.200 0.026 0.000 2.249 201 E HA 0.430 4.779 4.350 -0.002 0.000 0.263 201 E C 0.527 177.138 176.600 0.019 0.000 0.950 201 E CA -1.022 55.393 56.400 0.026 0.000 0.827 201 E CB 1.348 31.064 29.700 0.026 0.000 1.220 201 E HN 0.236 8.596 8.360 -0.000 0.000 0.411 202 M N 0.000 119.612 119.600 0.021 0.000 2.572 202 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 202 M CA 0.000 55.308 55.300 0.014 0.000 0.988 202 M CB 0.000 32.611 32.600 0.019 0.000 1.302 202 M HN 0.000 8.290 8.290 -0.000 0.000 0.411