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 3lgv_1_H DATA FIRST_RESID 40 DATA SEQUENCE TDETPASYNL AVRRAAPAVV NVYNXXXXXX XXXXXEIRTL GSGVIMDQRG DATA SEQUENCE YIITNKHVIN DADQIIVALQ DGRVFEALLV GSDSLTDLAV LKINATGGLP DATA SEQUENCE TIPINARRVP HIGDVVLAIG NPYNLGQTIT QGIISATGRI GLNPTGRQNF DATA SEQUENCE LQTDASINPG NSGGALVNSL GELMGINTLS FXXXXXGETP EGIGFAIPFQ DATA SEQUENCE LATKIMDKLI RDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 T HA 0.000 4.346 4.350 -0.007 0.000 0.228 40 T C 0.000 174.695 174.700 -0.008 0.000 1.109 40 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 40 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 41 D N 1.710 122.105 120.400 -0.008 0.000 2.376 41 D HA 0.102 4.737 4.640 -0.008 0.000 0.281 41 D C 0.004 176.297 176.300 -0.011 0.000 1.215 41 D CA -0.682 53.313 54.000 -0.009 0.000 1.062 41 D CB 0.567 41.361 40.800 -0.008 0.000 1.124 41 D HN -0.137 8.229 8.370 -0.008 0.000 0.550 42 E N -2.275 117.918 120.200 -0.012 0.000 2.383 42 E HA 0.009 4.350 4.350 -0.015 0.000 0.264 42 E C -1.120 175.469 176.600 -0.019 0.000 1.050 42 E CA 0.396 56.786 56.400 -0.015 0.000 0.896 42 E CB 0.375 30.067 29.700 -0.015 0.000 0.982 42 E HN -0.034 8.320 8.360 -0.011 0.000 0.424 43 T N 6.227 120.766 114.554 -0.024 0.000 2.829 43 T HA 0.217 4.551 4.350 -0.027 0.000 0.282 43 T C -2.051 172.626 174.700 -0.039 0.000 0.990 43 T CA -2.459 59.623 62.100 -0.030 0.000 1.028 43 T CB 0.610 69.459 68.868 -0.033 0.000 0.951 43 T HN -0.148 8.077 8.240 -0.024 0.000 0.460 44 P HA 0.004 4.397 4.420 -0.046 0.000 0.271 44 P C -1.371 175.880 177.300 -0.081 0.000 1.216 44 P CA -0.196 62.873 63.100 -0.051 0.000 0.776 44 P CB 0.556 32.231 31.700 -0.043 0.000 0.881 45 A N 3.713 126.473 122.820 -0.101 0.000 2.511 45 A HA -0.019 4.195 4.320 -0.177 0.000 0.242 45 A C -0.517 176.927 177.584 -0.234 0.000 1.069 45 A CA 0.836 52.769 52.037 -0.173 0.000 0.763 45 A CB -0.234 18.666 19.000 -0.167 0.000 1.001 45 A HN 0.340 8.440 8.150 -0.083 0.000 0.498 46 S N 1.920 117.406 115.700 -0.357 0.000 2.556 46 S HA 0.052 4.333 4.470 -0.316 0.000 0.280 46 S C -1.067 173.277 174.600 -0.427 0.000 1.141 46 S CA -0.178 57.825 58.200 -0.329 0.000 0.883 46 S CB 0.770 63.889 63.200 -0.137 0.000 1.103 46 S HN -0.171 7.901 8.310 -0.396 0.000 0.453 47 Y N 3.122 123.420 120.300 -0.003 0.000 2.625 47 Y HA 0.163 4.710 4.550 -0.005 0.000 0.285 47 Y C 0.288 176.186 175.900 -0.005 0.000 1.168 47 Y CA -0.768 57.330 58.100 -0.004 0.000 1.250 47 Y CB -0.322 38.135 38.460 -0.005 0.000 1.130 47 Y HN 0.260 8.509 8.280 -0.052 0.000 0.526 48 N N 1.608 120.350 118.700 0.069 0.000 2.104 48 N HA -0.407 4.369 4.740 0.059 0.000 0.190 48 N C 1.260 176.796 175.510 0.043 0.000 1.024 48 N CA 3.426 56.505 53.050 0.048 0.000 0.853 48 N CB 0.283 38.779 38.487 0.016 0.000 1.008 48 N HN -0.469 7.844 8.380 0.016 0.077 0.424 49 L N -0.844 120.400 121.223 0.034 0.000 2.021 49 L HA -0.338 4.014 4.340 0.019 0.000 0.215 49 L C 1.096 177.987 176.870 0.036 0.000 1.074 49 L CA 2.938 57.795 54.840 0.028 0.000 0.760 49 L CB -0.336 41.737 42.059 0.023 0.000 0.889 49 L HN -0.063 8.182 8.230 0.025 0.000 0.433 50 A N -3.214 119.641 122.820 0.059 0.000 1.930 50 A HA -0.272 4.064 4.320 0.028 0.000 0.217 50 A C 2.073 179.675 177.584 0.030 0.000 1.175 50 A CA 2.833 54.897 52.037 0.044 0.000 0.627 50 A CB -0.941 18.096 19.000 0.061 0.000 0.815 50 A HN -0.614 7.583 8.150 0.086 0.004 0.443 51 V N -1.389 118.550 119.914 0.043 0.000 2.358 51 V HA -0.551 3.583 4.120 0.023 0.000 0.246 51 V C 2.356 178.463 176.094 0.021 0.000 1.047 51 V CA 3.836 66.154 62.300 0.031 0.000 1.035 51 V CB -0.278 31.569 31.823 0.040 0.000 0.658 51 V HN -0.856 7.274 8.190 0.059 0.095 0.452 52 R N -1.425 119.088 120.500 0.021 0.000 2.189 52 R HA -0.233 4.117 4.340 0.016 0.000 0.218 52 R C 1.990 178.297 176.300 0.011 0.000 1.074 52 R CA 3.045 59.155 56.100 0.016 0.000 0.991 52 R CB -0.243 30.066 30.300 0.015 0.000 0.883 52 R HN -0.251 8.034 8.270 0.025 0.000 0.457 53 R N -3.515 116.990 120.500 0.009 0.000 2.127 53 R HA -0.094 4.248 4.340 0.003 0.000 0.217 53 R C 0.482 176.781 176.300 -0.002 0.000 1.074 53 R CA 2.532 58.633 56.100 0.002 0.000 0.991 53 R CB 0.413 30.712 30.300 -0.001 0.000 0.895 53 R HN -0.614 7.537 8.270 0.012 0.126 0.450 54 A N -3.053 119.766 122.820 -0.002 0.000 1.970 54 A HA 0.208 4.522 4.320 -0.011 0.000 0.204 54 A C 1.266 178.850 177.584 -0.000 0.000 1.325 54 A CA 0.976 53.009 52.037 -0.008 0.000 0.767 54 A CB 0.619 19.608 19.000 -0.018 0.000 0.949 54 A HN -0.640 7.511 8.150 0.002 0.000 0.481 55 A N 0.318 123.140 122.820 0.005 0.000 1.896 55 A HA -0.217 4.107 4.320 0.007 0.000 0.220 55 A C -1.057 176.536 177.584 0.015 0.000 1.206 55 A CA 4.512 56.555 52.037 0.010 0.000 0.647 55 A CB -2.654 16.355 19.000 0.014 0.000 0.828 55 A HN 0.011 8.164 8.150 0.006 0.000 0.455 56 P HA -0.290 4.146 4.420 0.027 0.000 0.217 56 P C -0.139 177.176 177.300 0.025 0.000 1.148 56 P CA 2.241 65.355 63.100 0.023 0.000 0.834 56 P CB -0.385 31.327 31.700 0.021 0.000 0.783 57 A N -5.575 117.256 122.820 0.017 0.000 2.278 57 A HA 0.160 4.493 4.320 0.022 0.000 0.212 57 A C -1.541 176.053 177.584 0.016 0.000 1.213 57 A CA -0.689 51.358 52.037 0.017 0.000 0.840 57 A CB 0.341 19.347 19.000 0.009 0.000 0.866 57 A HN -0.480 7.651 8.150 0.012 0.026 0.489 58 V N -0.704 119.219 119.914 0.014 0.000 2.370 58 V HA 0.446 4.723 4.120 0.008 -0.153 0.283 58 V C -0.425 175.678 176.094 0.015 0.000 1.023 58 V CA -0.548 61.758 62.300 0.009 0.000 0.857 58 V CB 1.233 33.056 31.823 0.001 0.000 0.985 58 V HN -0.466 7.566 8.190 0.015 0.167 0.443 59 V N 1.780 121.702 119.914 0.012 0.000 2.881 59 V HA 0.454 4.594 4.120 0.033 0.000 0.316 59 V C -1.349 174.732 176.094 -0.021 0.000 1.070 59 V CA -3.163 59.149 62.300 0.020 0.000 0.976 59 V CB 3.016 34.865 31.823 0.044 0.000 1.038 59 V HN 0.070 8.265 8.190 0.008 0.000 0.446 60 N N 1.274 119.955 118.700 -0.033 0.000 2.499 60 N HA 0.244 4.991 4.740 -0.192 -0.121 0.281 60 N C -0.757 174.600 175.510 -0.255 0.000 1.098 60 N CA -1.109 51.836 53.050 -0.174 0.000 0.979 60 N CB 1.161 39.547 38.487 -0.169 0.000 1.121 60 N HN -0.293 8.096 8.380 0.014 0.000 0.466 61 V N 2.430 122.112 119.914 -0.387 0.000 2.448 61 V HA 0.432 4.627 4.120 -0.125 -0.150 0.295 61 V C -1.393 174.458 176.094 -0.406 0.000 1.025 61 V CA -0.934 61.210 62.300 -0.260 0.000 0.859 61 V CB 1.960 33.717 31.823 -0.109 0.000 0.988 61 V HN 0.078 8.027 8.190 -0.402 0.000 0.431 62 Y N 5.026 125.342 120.300 0.027 0.000 2.429 62 Y HA 0.368 4.931 4.550 0.021 0.000 0.342 62 Y C -0.197 175.717 175.900 0.023 0.000 1.004 62 Y CA -1.461 56.653 58.100 0.023 0.000 1.075 62 Y CB 2.491 40.963 38.460 0.020 0.000 1.214 62 Y HN 0.486 8.858 8.280 0.155 0.000 0.455 76 I N 3.701 124.290 120.570 0.032 0.000 2.396 76 I HA 0.128 4.348 4.170 0.082 0.000 0.289 76 I C -0.205 175.949 176.117 0.062 0.000 1.056 76 I CA 0.682 62.021 61.300 0.065 0.000 1.365 76 I CB 0.372 38.420 38.000 0.079 0.000 1.407 76 I HN 0.472 8.696 8.210 0.022 0.000 0.509 77 R N 6.280 126.820 120.500 0.066 0.000 2.257 77 R HA 0.115 4.484 4.340 0.047 0.000 0.195 77 R C -0.469 175.864 176.300 0.054 0.000 0.921 77 R CA 0.193 56.325 56.100 0.053 0.000 1.069 77 R CB 1.247 31.574 30.300 0.045 0.000 1.115 77 R HN 0.489 8.804 8.270 0.074 0.000 0.571 78 T N -0.074 114.519 114.554 0.064 0.000 2.889 78 T HA 0.343 4.718 4.350 0.041 0.000 0.315 78 T C -2.690 172.040 174.700 0.049 0.000 1.291 78 T CA -0.978 61.151 62.100 0.048 0.000 1.028 78 T CB 2.764 71.655 68.868 0.038 0.000 1.235 78 T HN -0.691 7.594 8.240 0.075 0.000 0.491 79 L N -1.523 119.703 121.223 0.004 0.000 2.424 79 L HA 1.003 5.422 4.340 -0.087 -0.132 0.258 79 L C -1.362 175.439 176.870 -0.114 0.000 0.995 79 L CA -1.484 53.309 54.840 -0.078 0.000 0.821 79 L CB 3.045 45.046 42.059 -0.097 0.000 1.383 79 L HN 0.067 8.294 8.230 -0.004 0.000 0.410 80 G N -1.119 107.579 108.800 -0.170 0.000 2.871 80 G HA2 0.558 4.555 3.960 -0.116 0.000 0.282 80 G HA3 0.558 4.466 3.960 -0.087 0.000 0.282 80 G C -2.007 172.803 174.900 -0.149 0.000 1.212 80 G CA 0.300 45.325 45.100 -0.126 0.000 0.812 80 G HN 0.291 8.440 8.290 -0.234 0.000 0.547 81 S N -0.630 115.015 115.700 -0.092 0.000 2.715 81 S HA 1.094 5.650 4.470 -0.096 -0.144 0.307 81 S C -0.804 173.768 174.600 -0.046 0.000 1.119 81 S CA -2.001 56.154 58.200 -0.075 0.000 0.937 81 S CB 3.754 66.923 63.200 -0.053 0.000 1.150 81 S HN 0.464 8.733 8.310 -0.068 0.000 0.521 82 G N -2.178 106.605 108.800 -0.029 0.000 2.608 82 G HA2 0.785 5.036 3.960 -0.006 0.000 0.291 82 G HA3 0.785 4.742 3.960 -0.006 0.000 0.291 82 G C -3.068 171.832 174.900 0.000 0.000 1.425 82 G CA 0.195 45.289 45.100 -0.009 0.000 0.787 82 G HN -0.249 8.024 8.290 -0.029 0.000 0.484 83 V N -0.745 119.176 119.914 0.010 0.000 2.612 83 V HA 0.422 4.700 4.120 0.011 -0.152 0.301 83 V C -1.063 175.045 176.094 0.023 0.000 1.059 83 V CA -1.238 61.070 62.300 0.013 0.000 0.886 83 V CB 3.652 35.481 31.823 0.010 0.000 1.007 83 V HN -0.081 8.117 8.190 0.015 0.000 0.426 84 I N 7.425 128.008 120.570 0.021 0.000 2.436 84 I HA -0.036 4.297 4.170 0.027 -0.147 0.289 84 I C 0.081 176.215 176.117 0.029 0.000 1.083 84 I CA 1.037 62.350 61.300 0.022 0.000 1.372 84 I CB -0.130 37.876 38.000 0.010 0.000 1.408 84 I HN 0.301 8.521 8.210 0.018 0.000 0.516 85 M N 6.828 126.458 119.600 0.049 0.000 2.447 85 M HA -0.059 4.444 4.480 0.038 0.000 0.266 85 M C -0.182 176.149 176.300 0.051 0.000 1.120 85 M CA 0.208 55.539 55.300 0.051 0.000 1.166 85 M CB 0.411 33.048 32.600 0.063 0.000 1.349 85 M HN 0.262 8.592 8.290 0.066 0.000 0.463 86 D N -5.921 114.519 120.400 0.067 0.000 2.596 86 D HA 0.177 4.840 4.640 0.039 0.000 0.262 86 D C 0.223 176.541 176.300 0.031 0.000 1.210 86 D CA -1.566 52.467 54.000 0.056 0.000 0.873 86 D CB 0.888 41.738 40.800 0.084 0.000 1.408 86 D HN -0.815 7.604 8.370 0.081 0.000 0.441 87 Q N -1.659 118.150 119.800 0.015 0.000 2.291 87 Q HA -0.248 4.077 4.340 -0.026 0.000 0.206 87 Q C 0.928 176.902 176.000 -0.042 0.000 0.976 87 Q CA 2.556 58.350 55.803 -0.015 0.000 0.875 87 Q CB -0.220 28.513 28.738 -0.009 0.000 0.927 87 Q HN 0.383 8.665 8.270 0.021 0.000 0.450 88 R N -4.295 116.198 120.500 -0.012 0.000 2.241 88 R HA -0.222 4.072 4.340 -0.076 0.000 0.224 88 R C 0.471 176.630 176.300 -0.235 0.000 1.101 88 R CA 0.643 56.702 56.100 -0.069 0.000 0.995 88 R CB 0.201 30.540 30.300 0.065 0.000 0.870 88 R HN -0.598 7.766 8.270 0.036 -0.072 0.463 89 G N -4.439 104.247 108.800 -0.190 0.000 2.148 89 G HA2 -0.374 3.466 3.960 -0.199 0.000 0.203 89 G HA3 -0.374 3.553 3.960 -0.325 -0.162 0.203 89 G C -0.581 174.159 174.900 -0.266 0.000 0.993 89 G CA -0.281 44.663 45.100 -0.258 0.000 0.661 89 G HN -0.477 7.814 8.290 -0.093 -0.057 0.518 90 Y N 0.460 120.731 120.300 -0.047 0.000 2.346 90 Y HA 0.169 4.888 4.550 -0.032 -0.188 0.330 90 Y C -0.789 175.096 175.900 -0.025 0.000 1.178 90 Y CA 0.840 58.921 58.100 -0.032 0.000 1.331 90 Y CB 1.255 39.701 38.460 -0.023 0.000 1.253 90 Y HN -0.943 7.551 8.280 0.021 -0.202 0.529 91 I N 0.363 121.025 120.570 0.153 0.000 2.569 91 I HA 0.513 4.928 4.170 0.069 -0.203 0.290 91 I C -0.983 175.175 176.117 0.069 0.000 1.088 91 I CA -1.505 59.842 61.300 0.078 0.000 1.047 91 I CB 4.100 42.124 38.000 0.041 0.000 1.237 91 I HN -0.152 8.171 8.210 0.188 0.000 0.421 92 I N 7.043 127.641 120.570 0.046 0.000 2.396 92 I HA 0.612 4.969 4.170 0.031 -0.169 0.292 92 I C -0.692 175.436 176.117 0.019 0.000 0.999 92 I CA -0.520 60.797 61.300 0.029 0.000 1.310 92 I CB 1.572 39.585 38.000 0.020 0.000 1.404 92 I HN 0.080 8.315 8.210 0.043 0.000 0.496 93 T N 5.572 120.135 114.554 0.015 0.000 2.618 93 T HA 0.333 4.686 4.350 0.005 0.000 0.293 93 T C -2.097 172.611 174.700 0.013 0.000 1.093 93 T CA -2.504 59.602 62.100 0.009 0.000 1.061 93 T CB 1.367 70.240 68.868 0.007 0.000 1.498 93 T HN 0.451 8.700 8.240 0.016 0.000 0.494 94 N N 1.272 119.983 118.700 0.018 0.000 2.426 94 N HA 0.222 5.119 4.740 0.043 -0.130 0.257 94 N C 0.416 175.941 175.510 0.025 0.000 1.002 94 N CA -0.711 52.363 53.050 0.040 0.000 0.942 94 N CB 1.081 39.606 38.487 0.063 0.000 1.112 94 N HN 0.357 8.745 8.380 0.013 0.000 0.499 95 K N 7.021 127.409 120.400 -0.019 0.000 2.160 95 K HA -0.439 3.844 4.320 -0.062 0.000 0.206 95 K C 1.573 178.096 176.600 -0.130 0.000 1.047 95 K CA 3.203 59.432 56.287 -0.098 0.000 0.930 95 K CB 0.045 32.440 32.500 -0.176 0.000 0.720 95 K HN -0.212 8.030 8.250 -0.015 0.000 0.450 96 H N -2.212 116.866 119.070 0.013 0.000 2.395 96 H HA -0.150 4.414 4.556 0.013 0.000 0.299 96 H C 2.457 177.789 175.328 0.008 0.000 1.070 96 H CA 2.991 59.046 56.048 0.012 0.000 1.356 96 H CB 0.166 29.936 29.762 0.014 0.000 1.401 96 H HN -0.556 8.040 8.280 0.040 -0.291 0.524 97 V N -1.823 118.158 119.914 0.113 0.000 2.594 97 V HA -0.368 3.786 4.120 0.057 0.000 0.253 97 V C 0.645 176.762 176.094 0.039 0.000 1.069 97 V CA 2.900 65.234 62.300 0.056 0.000 1.082 97 V CB 0.438 32.274 31.823 0.022 0.000 0.680 97 V HN -0.444 7.852 8.190 0.111 -0.040 0.469 98 I N -10.793 109.794 120.570 0.029 0.000 4.057 98 I HA 0.133 4.320 4.170 0.028 0.000 0.334 98 I C -1.256 174.870 176.117 0.016 0.000 1.308 98 I CA -1.703 59.610 61.300 0.021 0.000 1.125 98 I CB 0.524 38.532 38.000 0.013 0.000 1.034 98 I HN -0.964 7.129 8.210 0.023 0.131 0.401 99 N N 2.505 121.213 118.700 0.013 0.000 2.359 99 N HA -0.259 4.474 4.740 -0.011 0.000 0.261 99 N C -0.884 174.640 175.510 0.023 0.000 1.267 99 N CA 1.534 54.589 53.050 0.008 0.000 0.864 99 N CB 0.122 38.623 38.487 0.024 0.000 1.063 99 N HN -0.586 7.688 8.380 0.020 0.118 0.474 100 D N -0.742 119.667 120.400 0.016 0.000 3.038 100 D HA -0.360 4.290 4.640 0.016 0.000 0.229 100 D C -1.900 174.415 176.300 0.025 0.000 1.182 100 D CA 1.133 55.145 54.000 0.020 0.000 0.852 100 D CB -1.378 39.436 40.800 0.023 0.000 0.932 100 D HN 0.333 8.708 8.370 0.008 0.000 0.406 101 A N -1.513 121.322 122.820 0.024 0.000 2.355 101 A HA 0.196 4.611 4.320 0.033 -0.076 0.324 101 A C -1.376 176.224 177.584 0.027 0.000 1.117 101 A CA -0.856 51.199 52.037 0.030 0.000 0.785 101 A CB 3.111 22.132 19.000 0.035 0.000 1.254 101 A HN -0.184 7.978 8.150 0.021 0.000 0.453 102 D N 1.321 121.738 120.400 0.029 0.000 2.290 102 D HA 0.024 4.677 4.640 0.022 0.000 0.224 102 D C 0.325 176.641 176.300 0.028 0.000 0.967 102 D CA 1.445 55.461 54.000 0.025 0.000 0.893 102 D CB 0.557 41.371 40.800 0.023 0.000 1.037 102 D HN 0.608 8.997 8.370 0.032 0.000 0.477 103 Q N -1.068 118.752 119.800 0.034 0.000 2.397 103 Q HA 0.286 4.648 4.340 0.036 0.000 0.260 103 Q C -1.473 174.559 176.000 0.053 0.000 1.002 103 Q CA -0.724 55.102 55.803 0.038 0.000 0.716 103 Q CB 0.697 29.454 28.738 0.032 0.000 1.258 103 Q HN -0.167 8.125 8.270 0.037 0.000 0.477 104 I N 4.494 125.097 120.570 0.055 0.000 2.471 104 I HA -0.002 4.341 4.170 0.077 -0.127 0.286 104 I C -1.003 175.167 176.117 0.088 0.000 1.079 104 I CA 0.541 61.883 61.300 0.070 0.000 1.398 104 I CB 0.397 38.430 38.000 0.056 0.000 1.403 104 I HN 0.256 8.495 8.210 0.048 0.000 0.530 105 I N 7.381 128.026 120.570 0.125 0.000 2.530 105 I HA 0.445 4.808 4.170 0.130 -0.115 0.297 105 I C -1.410 174.826 176.117 0.197 0.000 1.011 105 I CA -2.718 58.674 61.300 0.154 0.000 1.107 105 I CB 2.598 40.688 38.000 0.149 0.000 1.285 105 I HN 0.105 8.400 8.210 0.142 0.000 0.436 106 V N 5.093 125.121 119.914 0.190 0.000 2.588 106 V HA 0.520 4.895 4.120 0.159 -0.159 0.304 106 V C -2.304 173.914 176.094 0.207 0.000 1.042 106 V CA -1.807 60.603 62.300 0.183 0.000 0.877 106 V CB 3.970 35.886 31.823 0.155 0.000 0.996 106 V HN -0.018 8.283 8.190 0.184 0.000 0.425 107 A N 6.821 129.763 122.820 0.202 0.000 2.330 107 A HA 0.631 5.030 4.320 0.132 0.000 0.313 107 A C -2.085 175.579 177.584 0.134 0.000 1.124 107 A CA -1.969 50.172 52.037 0.174 0.000 0.774 107 A CB 2.791 21.942 19.000 0.252 0.000 1.198 107 A HN 0.582 8.841 8.150 0.182 0.000 0.465 108 L N 1.822 123.116 121.223 0.119 0.000 2.454 108 L HA 0.129 4.528 4.340 0.098 0.000 0.256 108 L C 1.744 178.657 176.870 0.072 0.000 1.136 108 L CA -0.399 54.504 54.840 0.104 0.000 0.804 108 L CB 1.375 43.516 42.059 0.137 0.000 1.181 108 L HN -0.193 8.103 8.230 0.110 0.000 0.469 109 Q N 1.227 121.062 119.800 0.060 0.000 2.451 109 Q HA -0.186 4.182 4.340 0.047 0.000 0.206 109 Q C 0.224 176.247 176.000 0.038 0.000 0.947 109 Q CA 2.250 58.080 55.803 0.046 0.000 0.937 109 Q CB -0.473 28.288 28.738 0.038 0.000 1.025 109 Q HN 0.920 9.226 8.270 0.060 0.000 0.511 110 D N -5.184 115.241 120.400 0.042 0.000 2.360 110 D HA -0.031 4.626 4.640 0.027 0.000 0.210 110 D C 0.643 176.955 176.300 0.020 0.000 1.047 110 D CA -0.526 53.493 54.000 0.032 0.000 0.854 110 D CB -0.569 40.255 40.800 0.041 0.000 0.936 110 D HN -0.430 7.919 8.370 0.052 0.052 0.514 111 G N -0.785 108.024 108.800 0.015 0.000 2.352 111 G HA2 -0.364 3.592 3.960 -0.006 0.000 0.204 111 G HA3 -0.364 3.588 3.960 -0.014 0.000 0.204 111 G C -0.059 174.811 174.900 -0.050 0.000 1.004 111 G CA -0.387 44.707 45.100 -0.011 0.000 0.648 111 G HN -0.667 7.602 8.290 0.026 0.036 0.491 112 R N 1.708 122.174 120.500 -0.057 0.000 2.811 112 R HA -0.079 4.113 4.340 -0.247 0.000 0.265 112 R C -1.027 175.111 176.300 -0.270 0.000 1.026 112 R CA 1.319 57.299 56.100 -0.199 0.000 1.142 112 R CB 0.889 31.114 30.300 -0.126 0.000 1.027 112 R HN -0.452 8.050 8.270 -0.012 -0.239 0.465 113 V N 0.247 119.827 119.914 -0.556 0.000 2.808 113 V HA 0.522 4.664 4.120 -0.193 -0.138 0.308 113 V C -0.505 175.173 176.094 -0.693 0.000 1.099 113 V CA -0.979 61.084 62.300 -0.396 0.000 0.920 113 V CB 2.753 34.460 31.823 -0.194 0.000 1.014 113 V HN 0.134 7.887 8.190 -0.727 0.000 0.425 114 F N 4.218 124.182 119.950 0.024 0.000 2.664 114 F HA 0.339 4.870 4.527 0.007 0.000 0.329 114 F C -1.286 174.526 175.800 0.020 0.000 1.090 114 F CA -1.391 56.617 58.000 0.013 0.000 0.978 114 F CB 3.493 42.495 39.000 0.004 0.000 1.378 114 F HN 0.481 8.848 8.300 0.112 0.000 0.495 115 E N -0.428 119.908 120.200 0.227 0.000 2.145 115 E HA 0.526 5.064 4.350 0.118 -0.116 0.262 115 E C -1.521 175.139 176.600 0.101 0.000 0.883 115 E CA -1.714 54.762 56.400 0.128 0.000 0.748 115 E CB 0.885 30.635 29.700 0.083 0.000 1.140 115 E HN 0.220 8.736 8.360 0.260 0.000 0.417 116 A N 5.781 128.651 122.820 0.084 0.000 2.279 116 A HA 0.741 5.260 4.320 0.023 -0.185 0.303 116 A C -1.948 175.656 177.584 0.033 0.000 1.108 116 A CA -1.260 50.803 52.037 0.044 0.000 0.830 116 A CB 2.355 21.381 19.000 0.043 0.000 1.106 116 A HN -0.170 8.035 8.150 0.093 0.000 0.493 117 L N -1.146 120.087 121.223 0.017 0.000 2.334 117 L HA 0.397 4.752 4.340 0.025 0.000 0.272 117 L C -1.631 175.257 176.870 0.030 0.000 1.020 117 L CA -1.699 53.154 54.840 0.021 0.000 0.812 117 L CB 3.813 45.880 42.059 0.013 0.000 1.264 117 L HN -0.277 7.954 8.230 0.002 0.000 0.439 118 L N 3.897 125.138 121.223 0.030 0.000 2.401 118 L HA 0.186 4.546 4.340 0.034 0.000 0.283 118 L C -0.205 176.687 176.870 0.037 0.000 1.151 118 L CA -0.180 54.678 54.840 0.031 0.000 0.942 118 L CB -0.760 41.312 42.059 0.021 0.000 1.283 118 L HN 0.245 8.491 8.230 0.026 0.000 0.442 119 V N 5.900 125.848 119.914 0.057 0.000 2.594 119 V HA -0.322 3.839 4.120 0.068 0.000 0.253 119 V C -0.430 175.687 176.094 0.038 0.000 1.069 119 V CA 2.085 64.427 62.300 0.070 0.000 1.082 119 V CB 0.303 32.205 31.823 0.133 0.000 0.680 119 V HN -0.161 8.070 8.190 0.068 0.000 0.469 120 G N -6.228 102.587 108.800 0.025 0.000 2.361 120 G HA2 -0.114 3.848 3.960 0.003 0.000 0.305 120 G HA3 -0.114 4.038 3.960 0.002 -0.190 0.305 120 G C -3.415 171.483 174.900 -0.003 0.000 1.367 120 G CA -0.396 44.708 45.100 0.006 0.000 0.951 120 G HN -0.844 7.437 8.290 0.028 0.026 0.615 121 S N -1.485 114.206 115.700 -0.015 0.000 2.638 121 S HA 0.735 5.313 4.470 -0.022 -0.121 0.274 121 S C -1.709 172.874 174.600 -0.029 0.000 1.157 121 S CA -1.680 56.505 58.200 -0.026 0.000 0.826 121 S CB 4.035 67.210 63.200 -0.041 0.000 1.139 121 S HN -0.025 8.276 8.310 -0.016 0.000 0.474 122 D N -0.207 120.174 120.400 -0.032 0.000 2.593 122 D HA 0.315 4.940 4.640 -0.024 0.000 0.251 122 D C 0.351 176.633 176.300 -0.030 0.000 1.140 122 D CA -1.267 52.718 54.000 -0.025 0.000 0.855 122 D CB 2.500 43.291 40.800 -0.015 0.000 1.267 122 D HN -0.044 8.305 8.370 -0.034 0.000 0.532 123 S N 5.949 121.632 115.700 -0.029 0.000 2.402 123 S HA -0.218 4.223 4.470 -0.049 0.000 0.229 123 S C 1.287 175.882 174.600 -0.008 0.000 1.021 123 S CA 2.713 60.895 58.200 -0.030 0.000 0.974 123 S CB 0.179 63.364 63.200 -0.024 0.000 0.800 123 S HN 0.425 8.719 8.310 -0.026 0.000 0.484 124 L N -2.360 118.862 121.223 -0.002 0.000 2.056 124 L HA -0.212 4.129 4.340 0.001 0.000 0.207 124 L C 1.443 178.336 176.870 0.038 0.000 1.078 124 L CA 2.495 57.340 54.840 0.008 0.000 0.749 124 L CB 0.279 42.340 42.059 0.003 0.000 0.901 124 L HN -0.814 7.629 8.230 -0.006 -0.217 0.433 125 T N -9.407 105.177 114.554 0.049 0.000 3.054 125 T HA -0.151 4.292 4.350 0.155 0.000 0.255 125 T C 0.619 175.382 174.700 0.105 0.000 1.035 125 T CA -0.689 61.471 62.100 0.100 0.000 0.941 125 T CB 0.530 69.441 68.868 0.071 0.000 1.026 125 T HN -0.419 7.979 8.240 0.029 -0.141 0.533 126 D N 0.326 120.761 120.400 0.059 0.000 2.870 126 D HA -0.299 4.323 4.640 -0.030 0.000 0.228 126 D C -1.770 174.548 176.300 0.030 0.000 1.147 126 D CA 1.460 55.488 54.000 0.047 0.000 0.757 126 D CB -0.914 39.988 40.800 0.170 0.000 1.091 126 D HN -0.357 8.032 8.370 0.033 0.000 0.429 127 L N -2.775 118.452 121.223 0.007 0.000 2.346 127 L HA 0.554 5.046 4.340 0.010 -0.146 0.274 127 L C -2.151 174.711 176.870 -0.013 0.000 1.007 127 L CA -1.315 53.527 54.840 0.003 0.000 0.818 127 L CB 3.559 45.620 42.059 0.003 0.000 1.284 127 L HN -0.848 7.370 8.230 0.002 0.013 0.424 128 A N 1.178 123.994 122.820 -0.006 0.000 2.401 128 A HA 0.752 5.179 4.320 -0.010 -0.113 0.310 128 A C -2.160 175.432 177.584 0.012 0.000 1.075 128 A CA -1.900 50.134 52.037 -0.004 0.000 0.746 128 A CB 3.710 22.705 19.000 -0.008 0.000 1.277 128 A HN 0.395 8.545 8.150 0.001 0.000 0.425 129 V N 1.121 121.048 119.914 0.022 0.000 2.513 129 V HA 0.854 5.201 4.120 0.054 -0.195 0.299 129 V C -0.939 175.203 176.094 0.080 0.000 1.035 129 V CA -1.615 60.717 62.300 0.053 0.000 0.889 129 V CB 1.745 33.593 31.823 0.042 0.000 0.988 129 V HN 0.247 8.447 8.190 0.017 0.000 0.440 130 L N 4.075 125.358 121.223 0.099 0.000 2.260 130 L HA 1.004 5.580 4.340 0.070 -0.193 0.265 130 L C -0.974 175.945 176.870 0.082 0.000 1.015 130 L CA -2.406 52.481 54.840 0.077 0.000 0.826 130 L CB 3.766 45.852 42.059 0.044 0.000 1.373 130 L HN 0.676 8.969 8.230 0.104 0.000 0.450 131 K N -0.486 119.906 120.400 -0.013 0.000 2.571 131 K HA 0.466 4.827 4.320 -0.250 -0.191 0.252 131 K C -1.714 174.797 176.600 -0.150 0.000 0.956 131 K CA -0.494 55.697 56.287 -0.162 0.000 0.822 131 K CB 2.452 34.832 32.500 -0.200 0.000 1.286 131 K HN -0.136 8.109 8.250 -0.007 0.000 0.439 132 I N 0.236 120.675 120.570 -0.218 0.000 2.846 132 I HA 0.457 4.542 4.170 -0.142 0.000 0.307 132 I C -2.173 173.754 176.117 -0.318 0.000 1.053 132 I CA -2.233 58.929 61.300 -0.230 0.000 1.050 132 I CB 3.304 41.133 38.000 -0.285 0.000 1.239 132 I HN -0.095 7.955 8.210 -0.267 0.000 0.439 133 N N 2.096 120.626 118.700 -0.283 0.000 2.430 133 N HA 0.000 4.610 4.740 -0.217 0.000 0.265 133 N C -0.406 174.872 175.510 -0.386 0.000 1.100 133 N CA -0.262 52.643 53.050 -0.242 0.000 0.961 133 N CB 0.494 38.927 38.487 -0.091 0.000 1.075 133 N HN 0.380 8.636 8.380 -0.206 0.000 0.478 134 A N 6.233 128.879 122.820 -0.291 0.000 2.650 134 A HA 0.187 4.262 4.320 -0.408 0.000 0.320 134 A C 0.020 177.535 177.584 -0.115 0.000 1.466 134 A CA -0.396 51.480 52.037 -0.268 0.000 1.099 134 A CB -0.890 17.993 19.000 -0.195 0.000 1.136 134 A HN 0.401 8.413 8.150 -0.230 0.000 0.532 135 T N 0.403 114.934 114.554 -0.038 0.000 2.684 135 T HA -0.223 4.148 4.350 0.036 0.000 0.267 135 T C 0.950 175.672 174.700 0.036 0.000 1.036 135 T CA 2.042 64.175 62.100 0.054 0.000 1.148 135 T CB 0.269 69.236 68.868 0.165 0.000 0.863 135 T HN -0.218 7.996 8.240 -0.043 0.000 0.436 136 G N -0.220 108.606 108.800 0.044 0.000 4.299 136 G HA2 0.087 4.061 3.960 0.023 0.000 0.290 136 G HA3 0.087 4.076 3.960 0.047 0.000 0.290 136 G C -1.112 173.799 174.900 0.019 0.000 1.019 136 G CA -0.541 44.580 45.100 0.034 0.000 0.790 136 G HN -0.242 8.082 8.290 0.057 0.000 0.452 137 G N -0.893 107.904 108.800 -0.006 0.000 2.690 137 G HA2 -0.281 3.827 3.960 -0.028 0.000 0.686 137 G HA3 -0.281 3.678 3.960 -0.003 0.000 0.686 137 G C -2.420 172.475 174.900 -0.009 0.000 1.277 137 G CA -0.602 44.490 45.100 -0.013 0.000 0.799 137 G HN -0.496 7.781 8.290 -0.023 0.000 0.613 138 L N -1.021 120.191 121.223 -0.018 0.000 2.359 138 L HA 0.383 4.730 4.340 0.012 0.000 0.256 138 L C -2.197 174.675 176.870 0.003 0.000 1.026 138 L CA -3.101 51.733 54.840 -0.010 0.000 0.828 138 L CB 2.569 44.597 42.059 -0.051 0.000 1.406 138 L HN -0.572 7.865 8.230 -0.020 -0.219 0.413 139 P HA 0.125 4.553 4.420 0.012 0.000 0.282 139 P C -1.541 175.765 177.300 0.009 0.000 1.274 139 P CA -0.584 62.525 63.100 0.014 0.000 0.770 139 P CB -0.025 31.689 31.700 0.023 0.000 0.867 140 T N 0.067 114.625 114.554 0.006 0.000 2.928 140 T HA 0.099 4.601 4.350 0.009 -0.147 0.284 140 T C 0.192 174.893 174.700 0.003 0.000 1.008 140 T CA -1.926 60.178 62.100 0.007 0.000 1.057 140 T CB 1.900 70.772 68.868 0.008 0.000 1.018 140 T HN -0.098 8.146 8.240 0.005 0.000 0.493 141 I N 2.763 123.334 120.570 0.002 0.000 2.588 141 I HA 0.088 4.251 4.170 -0.012 0.000 0.283 141 I C -2.003 174.101 176.117 -0.022 0.000 1.119 141 I CA -2.518 58.776 61.300 -0.010 0.000 1.419 141 I CB 1.278 39.271 38.000 -0.010 0.000 1.394 141 I HN -0.164 8.050 8.210 0.007 0.000 0.562 142 P HA 0.083 4.481 4.420 -0.036 0.000 0.271 142 P C -1.804 175.444 177.300 -0.087 0.000 1.220 142 P CA -0.290 62.780 63.100 -0.050 0.000 0.768 142 P CB 0.494 32.163 31.700 -0.051 0.000 0.848 143 I N 1.922 122.444 120.570 -0.080 0.000 2.533 143 I HA 0.156 4.192 4.170 -0.224 0.000 0.290 143 I C -1.366 174.688 176.117 -0.106 0.000 1.056 143 I CA -0.482 60.745 61.300 -0.123 0.000 1.057 143 I CB 3.527 41.511 38.000 -0.026 0.000 1.240 143 I HN -0.022 8.156 8.210 -0.053 0.000 0.423 144 N N 6.992 125.575 118.700 -0.195 0.000 2.626 144 N HA 0.128 4.846 4.740 -0.037 0.000 0.249 144 N C 0.148 175.664 175.510 0.009 0.000 1.021 144 N CA -1.223 51.771 53.050 -0.093 0.000 0.886 144 N CB 0.467 38.889 38.487 -0.108 0.000 1.149 144 N HN 0.211 8.374 8.380 -0.362 0.000 0.517 145 A N 5.311 128.211 122.820 0.135 0.000 2.178 145 A HA -0.113 4.516 4.320 0.514 0.000 0.218 145 A C 0.835 178.541 177.584 0.204 0.000 1.157 145 A CA 2.184 54.382 52.037 0.269 0.000 0.689 145 A CB -0.063 19.031 19.000 0.156 0.000 0.787 145 A HN 0.702 8.908 8.150 0.094 0.000 0.465 146 R N -4.383 116.188 120.500 0.119 0.000 2.280 146 R HA 0.038 4.426 4.340 0.080 0.000 0.195 146 R C 0.102 176.452 176.300 0.083 0.000 0.935 146 R CA -0.180 55.970 56.100 0.083 0.000 1.033 146 R CB 0.727 31.056 30.300 0.049 0.000 0.964 146 R HN -0.543 7.982 8.270 0.087 -0.203 0.489 147 R N 1.565 122.119 120.500 0.090 0.000 2.390 147 R HA -0.057 4.307 4.340 0.040 0.000 0.291 147 R C -1.100 175.257 176.300 0.095 0.000 1.070 147 R CA 0.006 56.136 56.100 0.051 0.000 1.014 147 R CB 0.696 30.973 30.300 -0.038 0.000 1.007 147 R HN -0.595 7.586 8.270 0.095 0.146 0.466 148 V N 6.556 126.473 119.914 0.004 0.000 2.326 148 V HA 0.293 4.404 4.120 -0.014 0.000 0.281 148 V C -1.529 174.383 176.094 -0.302 0.000 1.015 148 V CA -3.413 58.821 62.300 -0.110 0.000 0.823 148 V CB 1.501 33.219 31.823 -0.175 0.000 1.009 148 V HN 0.091 8.278 8.190 -0.005 0.000 0.436 149 P HA 0.059 4.429 4.420 -0.084 0.000 0.264 149 P C -1.477 175.656 177.300 -0.278 0.000 1.193 149 P CA -0.309 62.711 63.100 -0.134 0.000 0.763 149 P CB 0.514 32.209 31.700 -0.008 0.000 0.810 150 H N 2.359 121.447 119.070 0.029 0.000 2.679 150 H HA 0.360 4.932 4.556 0.026 0.000 0.367 150 H C -0.656 174.681 175.328 0.015 0.000 1.162 150 H CA -1.674 54.388 56.048 0.023 0.000 1.181 150 H CB 4.226 33.999 29.762 0.018 0.000 1.693 150 H HN -0.053 8.543 8.280 0.053 -0.284 0.538 151 I N 1.233 121.899 120.570 0.160 0.000 2.662 151 I HA -0.523 3.828 4.170 0.065 -0.142 0.285 151 I C 1.266 177.423 176.117 0.068 0.000 1.161 151 I CA 2.236 63.587 61.300 0.085 0.000 1.415 151 I CB -0.709 37.332 38.000 0.067 0.000 1.385 151 I HN 0.650 8.971 8.210 0.185 0.000 0.552 152 G N 7.194 116.019 108.800 0.042 0.000 2.253 152 G HA2 -0.324 3.646 3.960 0.016 0.000 0.209 152 G HA3 -0.324 3.654 3.960 0.029 0.000 0.209 152 G C -0.370 174.544 174.900 0.022 0.000 0.997 152 G CA -0.634 44.483 45.100 0.027 0.000 0.640 152 G HN 0.239 8.549 8.290 0.033 0.000 0.496 153 D N 1.897 122.318 120.400 0.035 0.000 2.488 153 D HA -0.074 4.581 4.640 0.025 0.000 0.238 153 D C -0.198 176.086 176.300 -0.027 0.000 1.138 153 D CA 1.364 55.375 54.000 0.018 0.000 0.873 153 D CB 0.657 41.474 40.800 0.027 0.000 1.183 153 D HN -0.536 7.812 8.370 0.055 0.055 0.458 154 V N 2.862 122.745 119.914 -0.052 0.000 2.479 154 V HA 0.019 4.223 4.120 -0.130 -0.162 0.281 154 V C -0.153 175.836 176.094 -0.176 0.000 1.031 154 V CA 0.619 62.834 62.300 -0.140 0.000 1.038 154 V CB -0.013 31.686 31.823 -0.208 0.000 0.981 154 V HN 0.244 8.415 8.190 -0.031 0.000 0.478 155 V N 1.493 121.302 119.914 -0.175 0.000 2.864 155 V HA 1.001 5.207 4.120 -0.147 -0.175 0.314 155 V C -1.558 174.434 176.094 -0.170 0.000 1.073 155 V CA -3.520 58.690 62.300 -0.149 0.000 0.956 155 V CB 3.659 35.426 31.823 -0.093 0.000 1.023 155 V HN 0.117 8.209 8.190 -0.163 0.000 0.435 156 L N 0.833 121.974 121.223 -0.136 0.000 2.341 156 L HA 0.767 5.214 4.340 -0.116 -0.176 0.278 156 L C -1.350 175.480 176.870 -0.067 0.000 1.005 156 L CA -1.957 52.819 54.840 -0.107 0.000 0.818 156 L CB 3.530 45.533 42.059 -0.093 0.000 1.259 156 L HN 0.574 8.733 8.230 -0.117 0.000 0.418 157 A N 3.396 126.185 122.820 -0.050 0.000 2.258 157 A HA 0.741 5.208 4.320 -0.037 -0.169 0.316 157 A C -1.262 176.308 177.584 -0.022 0.000 1.279 157 A CA -1.932 50.084 52.037 -0.036 0.000 0.876 157 A CB 1.758 20.739 19.000 -0.032 0.000 1.170 157 A HN 0.748 8.868 8.150 -0.049 0.000 0.520 158 I N 4.376 124.934 120.570 -0.020 0.000 2.354 158 I HA 0.867 5.243 4.170 -0.007 -0.210 0.292 158 I C -0.324 175.785 176.117 -0.014 0.000 0.989 158 I CA -1.469 59.824 61.300 -0.012 0.000 1.188 158 I CB 1.487 39.480 38.000 -0.010 0.000 1.342 158 I HN -0.328 7.868 8.210 -0.024 0.000 0.457 159 G N 5.087 113.880 108.800 -0.011 0.000 2.494 159 G HA2 0.218 4.163 3.960 -0.026 0.000 0.308 159 G HA3 0.218 4.162 3.960 -0.027 0.000 0.308 159 G C -3.148 171.742 174.900 -0.018 0.000 1.263 159 G CA 0.675 45.763 45.100 -0.021 0.000 0.840 159 G HN -0.276 8.011 8.290 -0.005 0.000 0.479 160 N N 0.829 119.508 118.700 -0.036 0.000 2.813 160 N HA 0.751 5.675 4.740 -0.000 -0.184 0.282 160 N C -2.179 173.314 175.510 -0.027 0.000 1.748 160 N CA -3.620 49.414 53.050 -0.027 0.000 0.860 160 N CB 1.727 40.174 38.487 -0.066 0.000 1.204 160 N HN -0.185 8.164 8.380 -0.052 0.000 0.490 161 P HA 0.006 4.468 4.420 -0.155 -0.134 0.266 161 P C -0.323 177.045 177.300 0.114 0.000 1.215 161 P CA 0.541 63.630 63.100 -0.018 0.000 0.763 161 P CB -0.577 31.181 31.700 0.097 0.000 0.806 162 Y N 0.634 120.940 120.300 0.010 0.000 4.538 162 Y HA -0.518 4.044 4.550 0.020 0.000 0.225 162 Y C -0.782 175.137 175.900 0.032 0.000 1.074 162 Y CA 1.413 59.524 58.100 0.019 0.000 1.942 162 Y CB -2.467 36.003 38.460 0.016 0.000 1.618 162 Y HN 0.063 8.127 8.280 -0.359 0.000 0.642 163 N N -3.793 114.982 118.700 0.125 0.000 2.741 163 N HA -0.365 4.597 4.740 0.101 -0.162 0.251 163 N C 0.578 176.165 175.510 0.128 0.000 1.112 163 N CA 1.098 54.224 53.050 0.127 0.000 0.750 163 N CB -0.675 37.910 38.487 0.164 0.000 1.119 163 N HN -0.435 7.934 8.380 0.068 0.051 0.561 164 L N -1.947 119.351 121.223 0.126 0.000 2.552 164 L HA -0.131 4.262 4.340 0.088 0.000 0.227 164 L C 0.929 177.845 176.870 0.077 0.000 1.146 164 L CA 0.972 55.871 54.840 0.097 0.000 0.858 164 L CB -0.092 42.026 42.059 0.098 0.000 0.969 164 L HN -0.510 7.775 8.230 0.143 0.031 0.451 165 G N -2.537 106.310 108.800 0.079 0.000 2.498 165 G HA2 -0.308 3.697 3.960 0.075 0.000 0.651 165 G HA3 -0.308 3.688 3.960 0.060 0.000 0.651 165 G C -2.050 172.880 174.900 0.049 0.000 1.284 165 G CA -0.894 44.245 45.100 0.065 0.000 0.950 165 G HN -0.698 7.806 8.290 0.085 -0.163 0.511 166 Q N 1.854 121.678 119.800 0.040 0.000 2.289 166 Q HA 0.100 4.669 4.340 0.021 -0.215 0.273 166 Q C -0.154 175.864 176.000 0.029 0.000 1.029 166 Q CA 0.990 56.810 55.803 0.028 0.000 0.896 166 Q CB 0.610 29.363 28.738 0.026 0.000 1.182 166 Q HN 0.318 8.613 8.270 0.042 0.000 0.385 167 T N 8.881 123.450 114.554 0.026 0.000 2.885 167 T HA 0.248 4.617 4.350 0.031 0.000 0.285 167 T C -1.928 172.784 174.700 0.019 0.000 1.019 167 T CA -0.875 61.242 62.100 0.028 0.000 1.010 167 T CB 1.893 70.785 68.868 0.039 0.000 1.022 167 T HN 0.490 8.742 8.240 0.020 0.000 0.466 168 I N 3.303 123.886 120.570 0.021 0.000 2.410 168 I HA 0.526 4.876 4.170 0.007 -0.176 0.286 168 I C -0.217 175.909 176.117 0.014 0.000 1.009 168 I CA -2.181 59.128 61.300 0.015 0.000 1.111 168 I CB 0.448 38.461 38.000 0.022 0.000 1.262 168 I HN 0.316 8.542 8.210 0.025 0.000 0.443 169 T N 5.721 120.275 114.554 0.000 0.000 2.912 169 T HA 0.398 4.752 4.350 0.007 0.000 0.288 169 T C -2.014 172.667 174.700 -0.031 0.000 1.030 169 T CA -1.785 60.313 62.100 -0.004 0.000 1.020 169 T CB 2.513 71.381 68.868 0.000 0.000 1.056 169 T HN 0.382 8.618 8.240 -0.007 0.000 0.480 170 Q N 3.357 123.137 119.800 -0.034 0.000 2.345 170 Q HA 0.782 5.208 4.340 -0.118 -0.157 0.268 170 Q C -0.690 175.267 176.000 -0.072 0.000 1.054 170 Q CA -1.195 54.558 55.803 -0.083 0.000 0.835 170 Q CB 3.997 32.683 28.738 -0.087 0.000 1.339 170 Q HN 0.280 8.540 8.270 -0.015 0.000 0.447 171 G N 3.003 111.741 108.800 -0.102 0.000 2.578 171 G HA2 0.675 4.601 3.960 -0.056 0.000 0.302 171 G HA3 0.675 4.764 3.960 -0.064 -0.167 0.302 171 G C -2.653 172.195 174.900 -0.086 0.000 1.243 171 G CA 0.520 45.576 45.100 -0.074 0.000 0.843 171 G HN 0.133 8.339 8.290 -0.139 0.000 0.486 172 I N -5.996 114.537 120.570 -0.061 0.000 3.239 172 I HA 0.958 5.275 4.170 -0.063 -0.185 0.314 172 I C -1.065 175.028 176.117 -0.041 0.000 1.126 172 I CA -2.786 58.483 61.300 -0.050 0.000 0.973 172 I CB 4.529 42.512 38.000 -0.028 0.000 1.252 172 I HN 0.566 9.078 8.210 -0.053 -0.333 0.463 173 I N 1.625 122.180 120.570 -0.024 0.000 2.329 173 I HA 0.094 4.366 4.170 -0.023 -0.116 0.295 173 I C 0.548 176.663 176.117 -0.002 0.000 1.109 173 I CA 0.277 61.570 61.300 -0.012 0.000 1.297 173 I CB -1.021 36.983 38.000 0.006 0.000 1.433 173 I HN -0.171 8.029 8.210 -0.017 0.000 0.509 174 S N 9.406 125.097 115.700 -0.015 0.000 2.423 174 S HA -0.176 4.291 4.470 -0.004 0.000 0.231 174 S C -0.661 173.948 174.600 0.015 0.000 1.014 174 S CA 2.074 60.269 58.200 -0.008 0.000 0.965 174 S CB 0.278 63.458 63.200 -0.033 0.000 0.785 174 S HN 0.609 8.809 8.310 -0.032 0.091 0.495 175 A N -2.915 119.921 122.820 0.027 0.000 2.582 175 A HA 0.241 4.591 4.320 0.049 0.000 0.297 175 A C -2.802 174.822 177.584 0.066 0.000 1.059 175 A CA 0.164 52.232 52.037 0.052 0.000 0.705 175 A CB 1.978 21.017 19.000 0.065 0.000 1.279 175 A HN -0.808 7.327 8.150 0.022 0.028 0.404 176 T N 0.046 114.639 114.554 0.066 0.000 3.149 176 T HA 0.351 4.742 4.350 0.068 0.000 0.373 176 T C 0.428 175.171 174.700 0.073 0.000 1.364 176 T CA -2.116 60.022 62.100 0.064 0.000 1.110 176 T CB -0.432 68.463 68.868 0.044 0.000 1.127 176 T HN 0.090 8.367 8.240 0.062 0.000 0.576 177 G N 5.986 114.850 108.800 0.106 0.000 2.888 177 G HA2 -0.437 3.746 3.960 0.142 0.000 0.441 177 G HA3 -0.437 3.651 3.960 0.084 -0.078 0.441 177 G C -1.375 173.570 174.900 0.075 0.000 1.461 177 G CA -0.036 45.127 45.100 0.104 0.000 0.897 177 G HN -0.066 8.305 8.290 0.135 0.000 0.547 178 R N -0.858 119.672 120.500 0.050 0.000 2.686 178 R HA 0.368 4.728 4.340 0.033 0.000 0.286 178 R C -0.863 175.444 176.300 0.011 0.000 0.969 178 R CA -1.720 54.397 56.100 0.027 0.000 0.898 178 R CB 1.797 32.105 30.300 0.013 0.000 1.183 178 R HN -0.005 8.159 8.270 0.045 0.134 0.456 179 I N 0.343 120.919 120.570 0.009 0.000 2.333 179 I HA -0.173 3.999 4.170 0.002 0.000 0.246 179 I C 1.022 177.134 176.117 -0.008 0.000 1.106 179 I CA 1.321 62.622 61.300 0.002 0.000 1.411 179 I CB 0.333 38.336 38.000 0.005 0.000 1.082 179 I HN 0.382 8.599 8.210 0.012 0.000 0.420 180 G N -1.548 107.246 108.800 -0.010 0.000 2.522 180 G HA2 0.116 4.066 3.960 -0.017 0.000 0.304 180 G HA3 0.116 4.067 3.960 -0.015 0.000 0.304 180 G C -1.700 173.182 174.900 -0.030 0.000 1.210 180 G CA -0.834 44.255 45.100 -0.017 0.000 0.960 180 G HN -0.608 7.679 8.290 -0.006 0.000 0.497 181 L N -1.241 119.962 121.223 -0.035 0.000 2.456 181 L HA -0.091 4.215 4.340 -0.058 0.000 0.272 181 L C -0.125 176.713 176.870 -0.053 0.000 1.189 181 L CA 0.694 55.505 54.840 -0.049 0.000 0.846 181 L CB -0.143 41.889 42.059 -0.045 0.000 1.111 181 L HN 0.064 8.276 8.230 -0.030 0.000 0.475 182 N N 2.805 121.460 118.700 -0.075 0.000 3.020 182 N HA 0.293 4.993 4.740 -0.067 0.000 0.248 182 N C -1.913 173.525 175.510 -0.119 0.000 1.480 182 N CA -0.882 52.119 53.050 -0.081 0.000 0.874 182 N CB 0.035 38.481 38.487 -0.068 0.000 1.433 182 N HN -0.327 8.000 8.380 -0.089 0.000 0.530 183 P HA -0.115 4.223 4.420 -0.138 0.000 0.222 183 P C -0.057 177.099 177.300 -0.240 0.000 1.147 183 P CA 1.787 64.785 63.100 -0.169 0.000 0.790 183 P CB 0.267 31.852 31.700 -0.190 0.000 0.780 184 T N -6.162 108.219 114.554 -0.289 0.000 2.821 184 T HA -0.270 3.787 4.350 -0.489 0.000 0.267 184 T C 1.432 175.904 174.700 -0.379 0.000 1.046 184 T CA 1.505 63.349 62.100 -0.427 0.000 1.139 184 T CB 0.464 69.015 68.868 -0.528 0.000 0.871 184 T HN -0.397 7.944 8.240 -0.247 -0.250 0.454 185 G N 1.468 110.102 108.800 -0.277 0.000 2.176 185 G HA2 -0.356 3.496 3.960 -0.179 0.000 0.253 185 G HA3 -0.356 3.464 3.960 -0.232 0.000 0.253 185 G C -0.610 174.130 174.900 -0.266 0.000 0.979 185 G CA 0.115 45.075 45.100 -0.234 0.000 0.641 185 G HN -0.369 7.781 8.290 -0.234 0.000 0.530 186 R N 0.147 120.444 120.500 -0.338 0.000 2.750 186 R HA 0.334 4.520 4.340 -0.257 0.000 0.281 186 R C -0.775 175.420 176.300 -0.176 0.000 0.972 186 R CA -1.680 54.220 56.100 -0.334 0.000 0.912 186 R CB 1.655 31.522 30.300 -0.722 0.000 1.187 186 R HN -0.586 7.415 8.270 -0.357 0.054 0.464 187 Q N -1.560 118.191 119.800 -0.082 0.000 2.247 187 Q HA 0.144 4.531 4.340 -0.021 -0.059 0.211 187 Q C -0.241 175.787 176.000 0.047 0.000 0.861 187 Q CA 0.779 56.571 55.803 -0.017 0.000 0.949 187 Q CB 0.758 29.485 28.738 -0.018 0.000 1.115 187 Q HN 0.364 8.588 8.270 -0.075 0.000 0.507 188 N N -2.076 116.691 118.700 0.111 0.000 2.291 188 N HA 0.001 4.810 4.740 0.116 0.000 0.244 188 N C -1.737 173.971 175.510 0.331 0.000 1.216 188 N CA -0.796 52.359 53.050 0.175 0.000 0.879 188 N CB -0.891 37.676 38.487 0.134 0.000 1.167 188 N HN -0.003 8.439 8.380 0.103 0.000 0.515 189 F N -0.127 119.839 119.950 0.026 0.000 2.421 189 F HA 0.144 4.708 4.527 0.062 0.000 0.337 189 F C -0.285 175.589 175.800 0.124 0.000 1.105 189 F CA -1.649 56.396 58.000 0.075 0.000 1.049 189 F CB 1.863 40.907 39.000 0.074 0.000 1.139 189 F HN -0.711 7.820 8.300 0.385 0.000 0.479 190 L N 3.612 124.909 121.223 0.124 0.000 2.360 190 L HA 0.134 4.704 4.340 0.105 -0.167 0.276 190 L C -1.060 175.897 176.870 0.144 0.000 1.121 190 L CA -0.426 54.472 54.840 0.097 0.000 0.845 190 L CB 0.322 42.388 42.059 0.012 0.000 1.143 190 L HN 0.279 8.488 8.230 -0.035 0.000 0.452 191 Q N 5.141 124.996 119.800 0.092 0.000 2.293 191 Q HA 0.828 5.271 4.340 -0.192 -0.218 0.261 191 Q C -1.080 174.859 176.000 -0.101 0.000 0.960 191 Q CA -1.564 54.197 55.803 -0.070 0.000 0.882 191 Q CB 3.221 31.929 28.738 -0.049 0.000 1.275 191 Q HN 0.108 8.431 8.270 0.089 0.000 0.445 192 T N 4.509 118.962 114.554 -0.168 0.000 2.883 192 T HA 0.744 5.207 4.350 -0.083 -0.163 0.296 192 T C -1.588 173.038 174.700 -0.123 0.000 1.117 192 T CA -3.121 58.913 62.100 -0.111 0.000 1.006 192 T CB 1.540 70.358 68.868 -0.084 0.000 1.191 192 T HN 0.503 8.591 8.240 -0.254 0.000 0.508 193 D N 3.133 123.484 120.400 -0.081 0.000 2.440 193 D HA 0.260 4.921 4.640 -0.075 -0.066 0.216 193 D C -0.138 176.133 176.300 -0.050 0.000 1.150 193 D CA -1.669 52.292 54.000 -0.064 0.000 0.832 193 D CB 0.113 40.886 40.800 -0.044 0.000 0.992 193 D HN -0.067 8.262 8.370 -0.068 0.000 0.502 194 A N 1.529 124.315 122.820 -0.056 0.000 2.522 194 A HA -0.136 4.314 4.320 -0.040 -0.153 0.256 194 A C -0.518 177.045 177.584 -0.034 0.000 1.086 194 A CA 0.813 52.823 52.037 -0.046 0.000 0.763 194 A CB 0.297 19.264 19.000 -0.056 0.000 1.024 194 A HN -0.714 7.398 8.150 -0.064 0.000 0.502 195 S N 2.550 118.240 115.700 -0.018 0.000 2.629 195 S HA -0.140 4.327 4.470 -0.006 0.000 0.302 195 S C -0.931 173.669 174.600 -0.000 0.000 1.244 195 S CA 0.920 59.118 58.200 -0.003 0.000 1.098 195 S CB 0.033 63.241 63.200 0.013 0.000 0.858 195 S HN 0.217 8.518 8.310 -0.014 0.000 0.502 196 I N 7.514 128.083 120.570 -0.002 0.000 2.378 196 I HA 0.171 4.337 4.170 -0.006 0.000 0.291 196 I C -0.971 175.147 176.117 0.000 0.000 0.992 196 I CA -1.426 59.872 61.300 -0.003 0.000 1.154 196 I CB 0.506 38.505 38.000 -0.002 0.000 1.315 196 I HN 0.201 8.408 8.210 -0.004 0.000 0.448 197 N N 7.362 126.048 118.700 -0.024 0.000 2.381 197 N HA 0.546 5.258 4.740 -0.046 0.000 0.294 197 N C -2.908 172.479 175.510 -0.206 0.000 1.216 197 N CA -2.440 50.561 53.050 -0.083 0.000 0.803 197 N CB 2.006 40.481 38.487 -0.020 0.000 1.372 197 N HN 0.202 8.873 8.380 -0.030 -0.309 0.500 198 P HA -0.244 4.060 4.420 -0.195 0.000 0.257 198 P C -0.740 176.341 177.300 -0.366 0.000 1.189 198 P CA 1.451 64.356 63.100 -0.324 0.000 0.780 198 P CB -0.605 30.871 31.700 -0.373 0.000 0.772 199 G N 2.630 111.309 108.800 -0.201 0.000 2.551 199 G HA2 -0.298 3.579 3.960 -0.138 0.000 0.186 199 G HA3 -0.298 3.677 3.960 -0.185 -0.126 0.186 199 G C 0.653 175.489 174.900 -0.106 0.000 1.002 199 G CA 0.779 45.783 45.100 -0.160 0.000 0.723 199 G HN 0.241 8.442 8.290 -0.148 0.000 0.481 200 N N 0.888 119.535 118.700 -0.089 0.000 2.422 200 N HA -0.023 4.687 4.740 -0.050 0.000 0.181 200 N C -0.135 175.354 175.510 -0.034 0.000 1.080 200 N CA 0.792 53.811 53.050 -0.052 0.000 0.893 200 N CB 1.015 39.478 38.487 -0.039 0.000 0.973 200 N HN -0.128 8.189 8.380 -0.104 0.000 0.456 201 S N -1.120 114.561 115.700 -0.031 0.000 2.552 201 S HA -0.240 4.520 4.470 0.010 -0.284 0.289 201 S C 0.915 175.510 174.600 -0.008 0.000 1.304 201 S CA 2.437 60.634 58.200 -0.004 0.000 1.063 201 S CB 0.011 63.217 63.200 0.010 0.000 0.848 201 S HN -0.544 7.696 8.310 -0.044 0.044 0.499 202 G N 4.654 113.456 108.800 0.003 0.000 2.205 202 G HA2 -0.473 3.489 3.960 0.003 0.000 0.261 202 G HA3 -0.473 3.623 3.960 -0.004 -0.139 0.261 202 G C -0.073 174.820 174.900 -0.011 0.000 0.980 202 G CA 0.233 45.332 45.100 -0.002 0.000 0.632 202 G HN 0.600 8.896 8.290 0.010 0.000 0.533 203 G N 0.348 109.138 108.800 -0.017 0.000 2.588 203 G HA2 0.306 4.255 3.960 -0.018 0.000 0.278 203 G HA3 0.306 4.429 3.960 -0.022 -0.177 0.278 203 G C -2.230 172.661 174.900 -0.016 0.000 1.307 203 G CA -1.201 43.888 45.100 -0.019 0.000 1.016 203 G HN -0.368 7.830 8.290 -0.018 0.082 0.503 204 A N -2.583 120.226 122.820 -0.018 0.000 2.281 204 A HA 0.503 4.812 4.320 -0.017 0.000 0.329 204 A C -2.034 175.533 177.584 -0.028 0.000 1.122 204 A CA -1.655 50.370 52.037 -0.020 0.000 0.850 204 A CB 3.103 22.091 19.000 -0.020 0.000 1.207 204 A HN -0.281 7.858 8.150 -0.018 0.000 0.495 205 L N 1.515 122.718 121.223 -0.034 0.000 2.406 205 L HA 0.873 5.394 4.340 -0.046 -0.209 0.270 205 L C -1.967 174.868 176.870 -0.058 0.000 0.982 205 L CA -0.751 54.062 54.840 -0.044 0.000 0.843 205 L CB 3.591 45.627 42.059 -0.039 0.000 1.225 205 L HN -0.200 8.011 8.230 -0.030 0.000 0.412 206 V N 1.420 121.294 119.914 -0.067 0.000 2.864 206 V HA 1.010 5.249 4.120 -0.097 -0.177 0.314 206 V C -1.145 174.896 176.094 -0.088 0.000 1.073 206 V CA -3.849 58.402 62.300 -0.082 0.000 0.956 206 V CB 3.594 35.376 31.823 -0.069 0.000 1.023 206 V HN 0.330 8.480 8.190 -0.066 0.000 0.435 207 N N 1.935 120.581 118.700 -0.089 0.000 2.381 207 N HA 0.389 5.253 4.740 -0.094 -0.181 0.289 207 N C 1.981 177.453 175.510 -0.063 0.000 1.288 207 N CA -1.074 51.928 53.050 -0.080 0.000 0.960 207 N CB 0.538 38.989 38.487 -0.061 0.000 1.116 207 N HN -0.264 8.057 8.380 -0.099 0.000 0.557 208 S N -1.493 114.188 115.700 -0.032 0.000 2.561 208 S HA -0.117 4.382 4.470 0.048 0.000 0.225 208 S C 0.567 175.206 174.600 0.065 0.000 0.977 208 S CA 2.001 60.233 58.200 0.054 0.000 0.926 208 S CB -0.782 62.516 63.200 0.162 0.000 0.769 208 S HN 0.276 8.571 8.310 -0.026 0.000 0.533 209 L N -2.660 118.574 121.223 0.017 0.000 2.529 209 L HA 0.200 4.553 4.340 0.022 0.000 0.223 209 L C 0.397 177.260 176.870 -0.010 0.000 1.113 209 L CA 0.019 54.863 54.840 0.007 0.000 0.861 209 L CB 0.190 42.243 42.059 -0.009 0.000 1.012 209 L HN -0.727 7.679 8.230 -0.003 -0.178 0.461 210 G N -3.337 105.449 108.800 -0.023 0.000 2.131 210 G HA2 -0.437 3.504 3.960 -0.032 0.000 0.223 210 G HA3 -0.437 3.510 3.960 -0.023 0.000 0.223 210 G C -0.587 174.273 174.900 -0.067 0.000 0.990 210 G CA -0.270 44.810 45.100 -0.034 0.000 0.671 210 G HN -0.555 7.663 8.290 -0.026 0.057 0.521 211 E N -0.593 119.549 120.200 -0.097 0.000 2.301 211 E HA -0.021 4.365 4.350 -0.154 -0.129 0.275 211 E C -0.985 175.485 176.600 -0.217 0.000 1.030 211 E CA -1.170 55.131 56.400 -0.164 0.000 0.852 211 E CB 1.454 31.041 29.700 -0.189 0.000 1.060 211 E HN -0.556 8.028 8.360 -0.088 -0.277 0.401 212 L N 4.154 125.206 121.223 -0.285 0.000 2.433 212 L HA -0.163 4.079 4.340 -0.163 0.000 0.275 212 L C -0.803 175.828 176.870 -0.399 0.000 1.128 212 L CA 1.045 55.727 54.840 -0.263 0.000 0.875 212 L CB 0.173 42.123 42.059 -0.183 0.000 1.171 212 L HN -0.117 7.936 8.230 -0.295 0.000 0.463 213 M N 4.564 124.066 119.600 -0.163 0.000 2.552 213 M HA 0.156 4.602 4.480 -0.058 0.000 0.264 213 M C 0.047 176.425 176.300 0.131 0.000 1.159 213 M CA 0.131 55.411 55.300 -0.033 0.000 1.176 213 M CB 1.553 34.130 32.600 -0.038 0.000 1.327 213 M HN 0.735 8.958 8.290 -0.113 0.000 0.481 214 G N -4.344 104.491 108.800 0.058 0.000 2.466 214 G HA2 0.220 4.367 3.960 0.088 0.000 0.291 214 G HA3 0.220 4.206 3.960 0.007 -0.022 0.291 214 G C -3.040 171.857 174.900 -0.005 0.000 1.460 214 G CA 0.313 45.438 45.100 0.042 0.000 0.791 214 G HN -0.653 7.644 8.290 0.013 0.000 0.505 215 I N -1.145 119.405 120.570 -0.033 0.000 2.312 215 I HA 0.409 4.709 4.170 -0.021 -0.143 0.290 215 I C -0.329 175.755 176.117 -0.055 0.000 1.008 215 I CA -3.495 57.784 61.300 -0.035 0.000 1.226 215 I CB -0.357 37.627 38.000 -0.027 0.000 1.371 215 I HN 0.069 8.248 8.210 -0.052 0.000 0.468 216 N N 9.222 127.903 118.700 -0.032 0.000 2.454 216 N HA -0.015 4.877 4.740 -0.017 -0.163 0.260 216 N C 0.492 176.009 175.510 0.010 0.000 1.218 216 N CA 1.114 54.156 53.050 -0.014 0.000 0.904 216 N CB 0.142 38.625 38.487 -0.007 0.000 1.065 216 N HN -0.150 8.215 8.380 -0.025 0.000 0.462 217 T N 3.670 118.255 114.554 0.051 0.000 2.759 217 T HA 0.026 4.425 4.350 0.082 0.000 0.181 217 T C -0.687 174.083 174.700 0.116 0.000 0.682 217 T CA 1.174 63.335 62.100 0.102 0.000 2.176 217 T CB 0.958 69.936 68.868 0.184 0.000 2.720 217 T HN -0.153 8.128 8.240 0.068 0.000 0.380 218 L N -0.060 121.267 121.223 0.173 0.000 2.385 218 L HA 0.313 4.712 4.340 0.099 0.000 0.273 218 L C -0.790 176.230 176.870 0.249 0.000 0.990 218 L CA -0.794 54.134 54.840 0.146 0.000 0.821 218 L CB 2.849 44.962 42.059 0.091 0.000 1.279 218 L HN -0.246 8.118 8.230 0.224 0.000 0.412 219 S N 3.139 118.950 115.700 0.185 0.000 2.579 219 S HA -0.075 4.558 4.470 0.272 0.000 0.275 219 S C -0.628 174.155 174.600 0.307 0.000 1.345 219 S CA -0.326 58.006 58.200 0.221 0.000 1.031 219 S CB 0.423 63.678 63.200 0.092 0.000 0.892 219 S HN -0.275 8.104 8.310 0.115 0.000 0.529 227 E N 0.527 120.711 120.200 -0.027 0.000 2.376 227 E HA 0.628 4.962 4.350 -0.027 0.000 0.254 227 E C -0.767 175.775 176.600 -0.097 0.000 1.213 227 E CA 0.335 56.713 56.400 -0.038 0.000 0.945 227 E CB 0.870 30.568 29.700 -0.003 0.000 1.057 227 E HN 0.167 8.525 8.360 -0.004 0.000 0.479 228 T N 0.636 115.143 114.554 -0.077 0.000 2.853 228 T HA 0.375 4.636 4.350 -0.148 0.000 0.317 228 T C -2.024 172.624 174.700 -0.085 0.000 1.059 228 T CA -1.711 60.329 62.100 -0.100 0.000 0.954 228 T CB -0.119 68.713 68.868 -0.060 0.000 0.994 228 T HN 0.030 8.240 8.240 -0.050 0.000 0.479 229 P HA 0.069 4.485 4.420 -0.007 0.000 0.270 229 P C -1.964 175.323 177.300 -0.022 0.000 1.227 229 P CA -0.232 62.835 63.100 -0.056 0.000 0.788 229 P CB 0.637 32.285 31.700 -0.086 0.000 0.926 230 E N 0.734 120.940 120.200 0.009 0.000 2.265 230 E HA 0.026 4.376 4.350 -0.000 0.000 0.262 230 E C -0.095 176.509 176.600 0.006 0.000 0.889 230 E CA -0.141 56.262 56.400 0.005 0.000 0.789 230 E CB 0.884 30.587 29.700 0.005 0.000 1.221 230 E HN 0.161 8.538 8.360 0.028 0.000 0.414 231 G N 3.834 112.630 108.800 -0.005 0.000 2.221 231 G HA2 -0.335 3.608 3.960 -0.028 0.000 0.265 231 G HA3 -0.335 3.613 3.960 -0.020 0.000 0.265 231 G C -1.333 173.538 174.900 -0.049 0.000 1.041 231 G CA 0.338 45.424 45.100 -0.024 0.000 0.807 231 G HN 0.624 8.912 8.290 -0.005 0.000 0.502 232 I N -0.255 120.288 120.570 -0.045 0.000 2.437 232 I HA 0.194 4.246 4.170 -0.197 0.000 0.279 232 I C -1.677 174.297 176.117 -0.238 0.000 1.028 232 I CA -0.879 60.346 61.300 -0.125 0.000 1.142 232 I CB 0.530 38.558 38.000 0.047 0.000 1.266 232 I HN -0.465 7.738 8.210 -0.013 0.000 0.461 233 G N 4.839 113.386 108.800 -0.422 0.000 2.605 233 G HA2 0.524 4.351 3.960 -0.222 0.000 0.296 233 G HA3 0.524 4.376 3.960 -0.180 0.000 0.296 233 G C -2.708 171.814 174.900 -0.629 0.000 1.304 233 G CA -1.335 43.548 45.100 -0.361 0.000 0.941 233 G HN 0.170 8.212 8.290 -0.413 0.000 0.475 234 F N -2.596 117.403 119.950 0.083 0.000 2.620 234 F HA 1.069 5.873 4.527 0.075 -0.232 0.320 234 F C -1.008 174.767 175.800 -0.042 0.000 1.069 234 F CA -1.793 56.257 58.000 0.084 0.000 0.953 234 F CB 4.968 44.129 39.000 0.270 0.000 1.322 234 F HN 0.120 8.525 8.300 0.174 0.000 0.479 235 A N -1.900 120.916 122.820 -0.007 0.000 2.589 235 A HA 0.514 4.858 4.320 -0.177 -0.131 0.296 235 A C -2.580 174.694 177.584 -0.517 0.000 1.062 235 A CA -0.819 51.096 52.037 -0.204 0.000 0.686 235 A CB 3.608 22.552 19.000 -0.093 0.000 1.282 235 A HN 0.379 8.528 8.150 -0.001 0.000 0.404 236 I N 1.539 121.814 120.570 -0.491 0.000 2.416 236 I HA 0.272 4.004 4.170 -0.729 0.000 0.288 236 I C -1.646 174.347 176.117 -0.208 0.000 1.051 236 I CA -2.019 58.996 61.300 -0.474 0.000 1.375 236 I CB 0.804 38.633 38.000 -0.286 0.000 1.407 236 I HN 0.068 8.072 8.210 -0.344 0.000 0.516 237 P HA 0.020 4.557 4.420 -0.008 -0.122 0.265 237 P C 0.813 178.079 177.300 -0.057 0.000 1.187 237 P CA 0.005 63.064 63.100 -0.069 0.000 0.766 237 P CB 0.237 31.877 31.700 -0.100 0.000 0.820 238 F N 3.618 123.528 119.950 -0.067 0.000 2.171 238 F HA -0.365 4.128 4.527 -0.057 0.000 0.300 238 F C 1.200 176.973 175.800 -0.045 0.000 1.090 238 F CA 3.969 61.937 58.000 -0.054 0.000 1.293 238 F CB -0.513 38.458 39.000 -0.047 0.000 1.013 238 F HN -0.301 8.204 8.300 0.342 0.000 0.486 239 Q N -0.747 118.340 119.800 -1.189 0.000 2.112 239 Q HA -0.417 3.409 4.340 -0.856 0.000 0.206 239 Q C 2.052 177.842 176.000 -0.350 0.000 0.987 239 Q CA 3.502 58.797 55.803 -0.846 0.000 0.858 239 Q CB -0.984 27.307 28.738 -0.745 0.000 0.905 239 Q HN 0.227 7.596 8.270 -1.502 0.000 0.420 240 L N -1.627 119.444 121.223 -0.253 0.000 2.156 240 L HA -0.166 4.100 4.340 -0.123 0.000 0.208 240 L C 1.067 177.882 176.870 -0.092 0.000 1.095 240 L CA 2.085 56.844 54.840 -0.134 0.000 0.770 240 L CB -0.635 41.370 42.059 -0.090 0.000 0.914 240 L HN -0.819 7.248 8.230 -0.271 0.000 0.439 241 A N -1.428 121.343 122.820 -0.081 0.000 1.969 241 A HA -0.293 4.005 4.320 -0.036 0.000 0.218 241 A C 2.037 179.603 177.584 -0.031 0.000 1.169 241 A CA 3.212 55.227 52.037 -0.037 0.000 0.635 241 A CB -0.890 18.108 19.000 -0.004 0.000 0.810 241 A HN -0.285 7.710 8.150 -0.096 0.097 0.445 242 T N 0.657 115.189 114.554 -0.037 0.000 2.708 242 T HA -0.453 3.889 4.350 -0.012 0.000 0.266 242 T C 1.883 176.551 174.700 -0.052 0.000 1.037 242 T CA 5.308 67.391 62.100 -0.028 0.000 1.146 242 T CB -0.150 68.709 68.868 -0.016 0.000 0.865 242 T HN -0.320 7.886 8.240 -0.056 0.000 0.435 243 K N 1.039 121.399 120.400 -0.066 0.000 2.057 243 K HA -0.280 4.004 4.320 -0.061 0.000 0.207 243 K C 2.547 179.113 176.600 -0.057 0.000 1.049 243 K CA 3.425 59.675 56.287 -0.063 0.000 0.931 243 K CB -0.307 32.153 32.500 -0.066 0.000 0.714 243 K HN -0.834 7.368 8.250 -0.080 0.000 0.440 244 I N -0.642 119.898 120.570 -0.051 0.000 2.286 244 I HA -0.393 3.753 4.170 -0.040 0.000 0.248 244 I C 1.809 177.894 176.117 -0.053 0.000 1.115 244 I CA 2.202 63.476 61.300 -0.043 0.000 1.392 244 I CB -0.943 37.039 38.000 -0.030 0.000 1.065 244 I HN -0.387 7.792 8.210 -0.051 0.000 0.418 245 M N 1.210 120.774 119.600 -0.060 0.000 2.064 245 M HA -0.502 3.932 4.480 -0.076 0.000 0.260 245 M C 1.471 177.693 176.300 -0.131 0.000 1.073 245 M CA 4.578 59.827 55.300 -0.085 0.000 1.124 245 M CB -0.140 32.415 32.600 -0.075 0.000 1.326 245 M HN -0.376 7.883 8.290 -0.053 0.000 0.410 246 D N -1.399 118.928 120.400 -0.122 0.000 2.190 246 D HA -0.361 4.168 4.640 -0.185 0.000 0.200 246 D C 2.502 178.734 176.300 -0.113 0.000 0.992 246 D CA 3.521 57.440 54.000 -0.135 0.000 0.854 246 D CB -0.826 39.917 40.800 -0.094 0.000 0.936 246 D HN -0.224 8.087 8.370 -0.098 0.000 0.462 247 K N -0.157 120.192 120.400 -0.085 0.000 2.076 247 K HA -0.188 4.095 4.320 -0.061 0.000 0.204 247 K C 1.990 178.551 176.600 -0.065 0.000 1.051 247 K CA 3.077 59.325 56.287 -0.065 0.000 0.949 247 K CB -0.034 32.436 32.500 -0.050 0.000 0.726 247 K HN -0.738 7.439 8.250 -0.079 0.026 0.443 248 L N -1.247 119.933 121.223 -0.071 0.000 2.141 248 L HA -0.344 3.970 4.340 -0.044 0.000 0.209 248 L C 1.947 178.772 176.870 -0.074 0.000 1.094 248 L CA 3.052 57.856 54.840 -0.059 0.000 0.763 248 L CB -0.021 42.009 42.059 -0.049 0.000 0.908 248 L HN -0.583 7.523 8.230 -0.076 0.078 0.437 249 I N -2.603 117.884 120.570 -0.138 0.000 2.202 249 I HA -0.506 3.584 4.170 -0.133 0.000 0.242 249 I C 1.932 177.993 176.117 -0.092 0.000 1.091 249 I CA 3.386 64.579 61.300 -0.179 0.000 1.368 249 I CB -0.087 37.661 38.000 -0.419 0.000 1.058 249 I HN -0.185 7.926 8.210 -0.165 0.000 0.410 250 R N -1.719 118.729 120.500 -0.086 0.000 2.055 250 R HA -0.149 4.166 4.340 -0.043 0.000 0.228 250 R C 1.391 177.672 176.300 -0.032 0.000 1.143 250 R CA 2.180 58.249 56.100 -0.051 0.000 0.945 250 R CB -0.510 29.759 30.300 -0.051 0.000 0.841 250 R HN -0.611 7.600 8.270 -0.099 0.000 0.429 251 D N -3.156 117.224 120.400 -0.033 0.000 2.123 251 D HA -0.026 4.602 4.640 -0.019 0.000 0.200 251 D C 0.992 177.282 176.300 -0.016 0.000 0.976 251 D CA 0.682 54.668 54.000 -0.023 0.000 0.831 251 D CB 0.517 41.303 40.800 -0.024 0.000 0.974 251 D HN -0.118 8.228 8.370 -0.041 0.000 0.469 252 G N 0.000 108.789 108.800 -0.018 0.000 5.446 252 G HA2 0.000 nan 3.960 nan 0.000 0.244 252 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 252 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 252 G HN 0.000 8.169 8.290 -0.027 0.104 0.925