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 2x9g_1_B DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVXXXXXXXX XXKTVETQVA ELIGTNAIAP FLLTMSFAQR QKXXXXXXXS DATA SEQUENCE SNLSIVNLCD AMVDQPCMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA 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 2 E HA 0.000 4.310 4.350 -0.067 0.000 0.291 2 E C 0.000 176.536 176.600 -0.107 0.000 1.382 2 E CA 0.000 56.359 56.400 -0.068 0.000 0.976 2 E CB 0.000 29.675 29.700 -0.042 0.000 0.812 3 A N 3.056 125.799 122.820 -0.129 0.000 2.363 3 A HA 0.270 4.453 4.320 -0.228 0.000 0.270 3 A C -2.108 175.337 177.584 -0.233 0.000 1.121 3 A CA -1.379 50.535 52.037 -0.206 0.000 0.800 3 A CB 0.014 18.882 19.000 -0.220 0.000 1.052 3 A HN 0.154 8.240 8.150 -0.107 0.000 0.493 4 P HA 0.034 4.455 4.420 -0.170 -0.103 0.273 4 P C -1.916 175.272 177.300 -0.185 0.000 1.250 4 P CA -0.455 62.478 63.100 -0.278 0.000 0.793 4 P CB 1.122 32.535 31.700 -0.478 0.000 1.011 5 A N -2.875 119.951 122.820 0.010 0.000 2.435 5 A HA 0.896 5.395 4.320 -0.039 -0.203 0.304 5 A C -2.138 175.567 177.584 0.201 0.000 1.064 5 A CA -1.858 50.203 52.037 0.040 0.000 0.727 5 A CB 3.859 22.857 19.000 -0.004 0.000 1.284 5 A HN 0.132 8.607 8.150 0.034 -0.305 0.415 6 A N 1.080 123.992 122.820 0.154 0.000 2.435 6 A HA 1.022 5.608 4.320 0.093 -0.211 0.304 6 A C -2.185 175.456 177.584 0.096 0.000 1.064 6 A CA -2.088 49.992 52.037 0.072 0.000 0.727 6 A CB 3.804 22.722 19.000 -0.136 0.000 1.284 6 A HN 0.732 8.950 8.150 0.113 0.000 0.415 7 V N 2.021 121.988 119.914 0.087 0.000 2.394 7 V HA 0.357 4.690 4.120 0.126 -0.137 0.282 7 V C -1.458 174.661 176.094 0.041 0.000 1.031 7 V CA -1.152 61.205 62.300 0.094 0.000 0.881 7 V CB 1.466 33.353 31.823 0.106 0.000 0.982 7 V HN 0.275 8.514 8.190 0.082 0.000 0.451 8 V N 8.329 128.282 119.914 0.066 0.000 2.407 8 V HA 0.415 4.693 4.120 0.013 -0.150 0.291 8 V C -0.221 175.941 176.094 0.114 0.000 1.018 8 V CA -2.028 60.301 62.300 0.050 0.000 0.842 8 V CB 1.699 33.543 31.823 0.036 0.000 0.996 8 V HN 0.484 8.734 8.190 0.099 0.000 0.426 9 T N 3.092 117.697 114.554 0.084 0.000 2.910 9 T HA 0.111 4.657 4.350 0.327 0.000 0.293 9 T C 1.341 176.196 174.700 0.258 0.000 1.015 9 T CA -0.958 61.247 62.100 0.175 0.000 1.094 9 T CB 0.833 69.658 68.868 -0.071 0.000 0.968 9 T HN -0.004 8.255 8.240 0.030 0.000 0.521 10 G N 2.295 111.385 108.800 0.484 0.000 2.338 10 G HA2 -0.414 3.671 3.960 0.208 0.000 0.296 10 G HA3 -0.414 3.687 3.960 0.235 0.000 0.296 10 G C -0.392 174.596 174.900 0.147 0.000 1.040 10 G CA 0.864 46.114 45.100 0.250 0.000 1.004 10 G HN 0.318 9.232 8.290 1.040 0.000 0.509 11 A N -2.186 120.719 122.820 0.140 0.000 2.308 11 A HA 0.099 4.362 4.320 0.069 0.099 0.217 11 A C 0.066 177.681 177.584 0.051 0.000 1.216 11 A CA 0.442 52.531 52.037 0.087 0.000 0.864 11 A CB -0.154 18.903 19.000 0.094 0.000 0.902 11 A HN -0.042 8.210 8.150 0.170 0.000 0.499 12 A N -2.745 120.104 122.820 0.047 0.000 2.014 12 A HA -0.200 4.108 4.320 -0.020 0.000 0.218 12 A C -1.086 176.494 177.584 -0.007 0.000 1.163 12 A CA 1.731 53.766 52.037 -0.002 0.000 0.652 12 A CB 0.257 19.238 19.000 -0.032 0.000 0.808 12 A HN 0.375 8.515 8.150 0.072 0.054 0.449 13 K N -4.621 115.784 120.400 0.010 0.000 2.480 13 K HA 0.240 4.556 4.320 -0.008 0.000 0.258 13 K C 0.071 176.673 176.600 0.002 0.000 0.990 13 K CA -1.770 54.518 56.287 0.002 0.000 0.857 13 K CB 2.676 35.179 32.500 0.006 0.000 1.384 13 K HN -0.517 7.713 8.250 0.025 0.036 0.446 14 R N -1.283 119.212 120.500 -0.008 0.000 3.910 14 R HA -0.467 3.861 4.340 -0.019 0.000 0.415 14 R C 1.253 177.543 176.300 -0.017 0.000 0.241 14 R CA 2.132 58.223 56.100 -0.016 0.000 1.327 14 R CB -1.608 28.680 30.300 -0.020 0.000 1.012 14 R HN 0.489 8.753 8.270 -0.010 0.000 0.557 15 I N 0.304 120.860 120.570 -0.024 0.000 2.252 15 I HA -0.344 3.810 4.170 -0.026 0.000 0.245 15 I C 1.603 177.713 176.117 -0.012 0.000 1.102 15 I CA 3.484 64.769 61.300 -0.025 0.000 1.385 15 I CB -0.334 37.642 38.000 -0.040 0.000 1.064 15 I HN 0.117 8.309 8.210 -0.030 0.000 0.414 16 G N -1.513 107.288 108.800 0.001 0.000 2.440 16 G HA2 -0.419 3.747 3.960 0.033 0.000 0.218 16 G HA3 -0.419 3.547 3.960 0.010 0.000 0.218 16 G C 0.590 175.498 174.900 0.013 0.000 1.154 16 G CA 2.041 47.150 45.100 0.016 0.000 0.767 16 G HN 0.120 8.412 8.290 0.004 0.000 0.552 17 R N 2.339 122.844 120.500 0.009 0.000 2.081 17 R HA -0.235 4.255 4.340 0.006 -0.147 0.235 17 R C 2.081 178.379 176.300 -0.003 0.000 1.131 17 R CA 3.032 59.133 56.100 0.002 0.000 0.960 17 R CB -0.027 30.270 30.300 -0.006 0.000 0.856 17 R HN -0.563 7.616 8.270 0.008 0.095 0.436 18 A N -0.972 121.844 122.820 -0.006 0.000 1.933 18 A HA -0.244 4.073 4.320 -0.004 0.000 0.218 18 A C 2.156 179.737 177.584 -0.005 0.000 1.175 18 A CA 3.007 55.040 52.037 -0.006 0.000 0.628 18 A CB -0.618 18.375 19.000 -0.010 0.000 0.814 18 A HN -0.545 7.600 8.150 -0.008 0.000 0.444 19 I N -1.233 119.330 120.570 -0.011 0.000 2.179 19 I HA -0.626 3.531 4.170 -0.023 0.000 0.242 19 I C 1.475 177.581 176.117 -0.019 0.000 1.088 19 I CA 4.288 65.575 61.300 -0.021 0.000 1.357 19 I CB -0.171 37.811 38.000 -0.030 0.000 1.051 19 I HN -0.242 7.962 8.210 -0.010 0.000 0.409 20 A N -0.167 122.650 122.820 -0.004 0.000 1.908 20 A HA -0.309 4.014 4.320 0.005 0.000 0.218 20 A C 2.165 179.770 177.584 0.035 0.000 1.181 20 A CA 3.443 55.488 52.037 0.012 0.000 0.627 20 A CB -0.878 18.135 19.000 0.021 0.000 0.818 20 A HN -0.155 7.995 8.150 -0.000 0.000 0.445 21 V N -1.461 118.466 119.914 0.021 0.000 2.287 21 V HA -0.562 3.579 4.120 0.036 0.000 0.248 21 V C 2.135 178.273 176.094 0.074 0.000 1.053 21 V CA 4.510 66.833 62.300 0.037 0.000 1.027 21 V CB -0.914 30.916 31.823 0.011 0.000 0.646 21 V HN 0.004 8.199 8.190 0.009 0.000 0.447 22 K N -0.677 119.748 120.400 0.042 0.000 2.097 22 K HA -0.202 4.308 4.320 0.054 -0.158 0.205 22 K C 2.989 179.622 176.600 0.055 0.000 1.050 22 K CA 3.132 59.445 56.287 0.044 0.000 0.938 22 K CB -0.091 32.422 32.500 0.021 0.000 0.718 22 K HN -0.484 7.780 8.250 0.024 0.000 0.442 23 L N -1.027 120.209 121.223 0.021 0.000 2.017 23 L HA -0.451 3.878 4.340 -0.017 0.000 0.208 23 L C 1.887 178.853 176.870 0.161 0.000 1.073 23 L CA 3.452 58.290 54.840 -0.004 0.000 0.745 23 L CB -0.389 41.553 42.059 -0.195 0.000 0.894 23 L HN -0.004 8.226 8.230 0.000 0.000 0.432 24 H N 0.169 119.270 119.070 0.051 0.000 2.353 24 H HA -0.191 4.641 4.556 0.069 -0.234 0.300 24 H C 3.308 178.665 175.328 0.048 0.000 1.090 24 H CA 3.733 59.813 56.048 0.053 0.000 1.327 24 H CB 0.327 30.102 29.762 0.021 0.000 1.383 24 H HN -0.288 8.117 8.280 0.208 0.000 0.508 25 Q N -2.304 117.582 119.800 0.142 0.000 2.226 25 Q HA -0.235 4.146 4.340 0.068 0.000 0.204 25 Q C 1.687 177.704 176.000 0.028 0.000 0.975 25 Q CA 2.305 58.152 55.803 0.074 0.000 0.866 25 Q CB 0.058 28.844 28.738 0.079 0.000 0.915 25 Q HN -0.099 8.278 8.270 0.178 0.000 0.440 26 T N -2.736 111.857 114.554 0.066 0.000 3.085 26 T HA -0.084 4.295 4.350 0.048 0.000 0.263 26 T C 0.270 174.977 174.700 0.011 0.000 1.127 26 T CA 1.342 63.489 62.100 0.079 0.000 1.103 26 T CB 0.618 69.596 68.868 0.183 0.000 0.921 26 T HN -0.430 7.737 8.240 0.098 0.132 0.510 27 G N -0.289 108.478 108.800 -0.055 0.000 2.205 27 G HA2 -0.302 3.537 3.960 -0.202 0.000 0.180 27 G HA3 -0.302 3.524 3.960 -0.224 0.000 0.180 27 G C -0.762 173.979 174.900 -0.265 0.000 1.004 27 G CA -0.373 44.611 45.100 -0.194 0.000 0.670 27 G HN -0.609 7.486 8.290 -0.040 0.171 0.496 28 Y N 0.697 120.881 120.300 -0.193 0.000 2.336 28 Y HA -0.092 4.511 4.550 -0.193 -0.168 0.331 28 Y C 0.427 176.167 175.900 -0.267 0.000 1.211 28 Y CA 1.197 59.181 58.100 -0.193 0.000 1.346 28 Y CB 0.715 39.108 38.460 -0.112 0.000 1.271 28 Y HN -0.581 7.808 8.280 0.183 0.000 0.538 29 R N 0.170 120.527 120.500 -0.238 0.000 2.441 29 R HA 0.278 4.559 4.340 -0.334 -0.141 0.284 29 R C -1.365 174.739 176.300 -0.327 0.000 1.070 29 R CA 0.420 56.202 56.100 -0.530 0.000 1.047 29 R CB 1.249 30.728 30.300 -1.368 0.000 1.016 29 R HN 0.312 8.417 8.270 -0.275 0.000 0.477 30 V N 2.170 122.025 119.914 -0.097 0.000 2.735 30 V HA 0.780 5.172 4.120 0.116 -0.203 0.310 30 V C -2.294 174.008 176.094 0.347 0.000 1.061 30 V CA -2.640 59.743 62.300 0.138 0.000 0.913 30 V CB 4.529 36.432 31.823 0.133 0.000 1.005 30 V HN 0.330 8.477 8.190 -0.073 0.000 0.428 31 V N 8.389 128.493 119.914 0.315 0.000 2.364 31 V HA 0.235 4.685 4.120 0.276 -0.164 0.272 31 V C -1.073 175.137 176.094 0.194 0.000 1.036 31 V CA -1.437 61.020 62.300 0.263 0.000 0.880 31 V CB 0.275 32.233 31.823 0.225 0.000 0.991 31 V HN 0.513 8.862 8.190 0.265 0.000 0.460 32 I N 7.974 128.653 120.570 0.182 0.000 2.269 32 I HA 0.047 4.308 4.170 0.152 0.000 0.293 32 I C -1.344 174.905 176.117 0.219 0.000 1.106 32 I CA -0.681 60.719 61.300 0.167 0.000 1.248 32 I CB -0.800 37.271 38.000 0.119 0.000 1.444 32 I HN 0.624 8.945 8.210 0.185 0.000 0.497 33 H N 9.667 128.823 119.070 0.145 0.000 2.652 33 H HA 0.625 5.489 4.556 0.113 -0.240 0.349 33 H C -1.582 173.875 175.328 0.214 0.000 1.099 33 H CA -1.146 54.977 56.048 0.125 0.000 1.417 33 H CB 2.394 32.188 29.762 0.054 0.000 1.457 33 H HN -0.230 8.217 8.280 0.278 0.000 0.568 34 Y N 1.079 120.812 120.300 -0.944 0.000 2.655 34 Y HA 0.369 4.612 4.550 -0.511 0.000 0.336 34 Y C -2.011 173.587 175.900 -0.503 0.000 1.154 34 Y CA -1.714 56.024 58.100 -0.604 0.000 1.055 34 Y CB 1.689 40.021 38.460 -0.213 0.000 1.295 34 Y HN 0.086 7.740 8.280 -1.044 0.000 0.465 35 H N 1.535 120.492 119.070 -0.188 0.000 2.329 35 H HA 0.073 4.491 4.556 -0.231 0.000 0.285 35 H C -0.758 174.615 175.328 0.076 0.000 1.062 35 H CA 0.002 55.991 56.048 -0.098 0.000 1.511 35 H CB 1.785 31.570 29.762 0.038 0.000 1.471 35 H HN 0.282 8.660 8.280 0.163 0.000 0.613 36 N N -1.055 117.588 118.700 -0.095 0.000 2.356 36 N HA 0.029 4.684 4.740 -0.141 0.000 0.178 36 N C 0.079 175.624 175.510 0.059 0.000 1.075 36 N CA 0.874 53.860 53.050 -0.106 0.000 0.889 36 N CB 0.610 38.976 38.487 -0.201 0.000 0.999 36 N HN -0.071 8.305 8.380 -0.007 0.000 0.464 37 S N 1.592 117.360 115.700 0.114 0.000 3.812 37 S HA 0.315 4.759 4.470 -0.044 0.000 0.195 37 S C -0.385 174.049 174.600 -0.276 0.000 1.460 37 S CA -0.596 57.584 58.200 -0.034 0.000 1.052 37 S CB -1.648 61.540 63.200 -0.020 0.000 1.385 37 S HN -0.163 8.268 8.310 0.200 0.000 0.490 38 A N 3.332 125.967 122.820 -0.309 0.000 1.877 38 A HA -0.331 3.086 4.320 -1.506 0.000 0.216 38 A C 1.164 178.492 177.584 -0.426 0.000 1.186 38 A CA 3.473 55.126 52.037 -0.640 0.000 0.620 38 A CB -0.266 18.625 19.000 -0.181 0.000 0.822 38 A HN -0.326 7.701 8.150 -0.103 0.061 0.443 39 E N -0.868 119.199 120.200 -0.222 0.000 2.077 39 E HA -0.314 3.949 4.350 -0.146 0.000 0.193 39 E C 1.706 178.209 176.600 -0.161 0.000 0.989 39 E CA 2.825 59.132 56.400 -0.155 0.000 0.800 39 E CB -0.331 29.312 29.700 -0.095 0.000 0.746 39 E HN 0.286 8.541 8.360 -0.174 0.000 0.452 40 A N -1.688 121.034 122.820 -0.162 0.000 1.930 40 A HA -0.050 4.210 4.320 -0.100 0.000 0.217 40 A C 2.084 179.572 177.584 -0.160 0.000 1.175 40 A CA 2.549 54.508 52.037 -0.129 0.000 0.627 40 A CB -0.718 18.226 19.000 -0.093 0.000 0.815 40 A HN 0.086 8.139 8.150 -0.162 0.000 0.443 41 A N -1.280 121.376 122.820 -0.274 0.000 1.877 41 A HA -0.368 3.856 4.320 -0.159 0.000 0.216 41 A C 1.752 179.223 177.584 -0.189 0.000 1.186 41 A CA 3.044 54.918 52.037 -0.271 0.000 0.620 41 A CB -0.536 18.121 19.000 -0.572 0.000 0.822 41 A HN -0.398 7.536 8.150 -0.359 0.000 0.443 42 V N -2.064 117.717 119.914 -0.222 0.000 2.358 42 V HA -0.471 3.590 4.120 -0.099 0.000 0.246 42 V C 1.731 177.772 176.094 -0.088 0.000 1.047 42 V CA 4.254 66.476 62.300 -0.129 0.000 1.035 42 V CB -1.184 30.565 31.823 -0.124 0.000 0.658 42 V HN -0.099 7.911 8.190 -0.300 0.000 0.452 43 S N 0.904 116.548 115.700 -0.092 0.000 2.368 43 S HA -0.242 4.194 4.470 -0.057 0.000 0.225 43 S C 2.169 176.732 174.600 -0.062 0.000 1.030 43 S CA 3.484 61.644 58.200 -0.067 0.000 0.999 43 S CB -0.472 62.689 63.200 -0.065 0.000 0.844 43 S HN -0.340 7.903 8.310 -0.112 0.000 0.459 44 L N 1.981 123.162 121.223 -0.069 0.000 2.017 44 L HA -0.279 4.022 4.340 -0.065 0.000 0.208 44 L C 0.863 177.691 176.870 -0.070 0.000 1.073 44 L CA 2.955 57.756 54.840 -0.066 0.000 0.745 44 L CB -0.461 41.564 42.059 -0.057 0.000 0.894 44 L HN -0.417 7.766 8.230 -0.080 0.000 0.432 45 A N -1.210 121.579 122.820 -0.052 0.000 1.883 45 A HA -0.450 3.850 4.320 -0.034 0.000 0.217 45 A C 1.712 179.273 177.584 -0.037 0.000 1.186 45 A CA 3.439 55.457 52.037 -0.032 0.000 0.624 45 A CB -0.918 18.082 19.000 0.000 0.000 0.822 45 A HN -0.057 8.060 8.150 -0.055 0.000 0.444 46 D N -2.052 118.327 120.400 -0.036 0.000 2.144 46 D HA -0.341 4.290 4.640 -0.015 0.000 0.199 46 D C 2.267 178.545 176.300 -0.037 0.000 0.984 46 D CA 3.478 57.462 54.000 -0.027 0.000 0.834 46 D CB -0.744 40.041 40.800 -0.026 0.000 0.955 46 D HN -0.107 8.239 8.370 -0.040 0.000 0.465 47 E N 0.648 120.816 120.200 -0.054 0.000 2.051 47 E HA -0.293 4.031 4.350 -0.042 0.000 0.192 47 E C 2.480 179.024 176.600 -0.093 0.000 0.991 47 E CA 2.986 59.350 56.400 -0.060 0.000 0.799 47 E CB 0.030 29.693 29.700 -0.062 0.000 0.748 47 E HN -0.588 7.738 8.360 -0.056 0.000 0.449 48 L N -1.492 119.630 121.223 -0.167 0.000 2.093 48 L HA -0.353 3.742 4.340 -0.407 0.000 0.208 48 L C 2.426 179.210 176.870 -0.143 0.000 1.085 48 L CA 2.925 57.547 54.840 -0.363 0.000 0.755 48 L CB -0.372 41.298 42.059 -0.648 0.000 0.904 48 L HN -0.098 8.043 8.230 -0.149 0.000 0.435 49 N N -1.260 117.414 118.700 -0.043 0.000 2.396 49 N HA -0.119 4.895 4.740 0.079 -0.227 0.180 49 N C 2.286 177.817 175.510 0.036 0.000 1.028 49 N CA 2.038 55.110 53.050 0.036 0.000 0.893 49 N CB -0.251 38.261 38.487 0.042 0.000 0.967 49 N HN -0.007 8.339 8.380 -0.056 0.000 0.440 50 K N -0.062 120.345 120.400 0.012 0.000 2.097 50 K HA -0.276 4.056 4.320 0.020 0.000 0.205 50 K C 1.752 178.373 176.600 0.033 0.000 1.050 50 K CA 2.634 58.931 56.287 0.017 0.000 0.938 50 K CB -0.014 32.488 32.500 0.003 0.000 0.718 50 K HN -0.419 7.808 8.250 -0.007 0.019 0.442 51 E N -1.473 118.755 120.200 0.047 0.000 2.047 51 E HA -0.169 4.219 4.350 0.064 0.000 0.191 51 E C 0.401 177.067 176.600 0.110 0.000 0.987 51 E CA 1.846 58.300 56.400 0.089 0.000 0.799 51 E CB 0.808 30.595 29.700 0.145 0.000 0.752 51 E HN -0.672 7.620 8.360 0.025 0.083 0.449 52 R N -2.793 117.795 120.500 0.147 0.000 2.512 52 R HA 0.317 4.699 4.340 0.070 0.000 0.291 52 R C -1.986 174.379 176.300 0.108 0.000 1.097 52 R CA -1.280 54.886 56.100 0.109 0.000 0.940 52 R CB 3.356 33.702 30.300 0.077 0.000 1.198 52 R HN -0.354 8.017 8.270 0.169 0.000 0.429 53 S N 4.303 120.047 115.700 0.073 0.000 2.558 53 S HA -0.070 4.566 4.470 0.074 -0.122 0.288 53 S C 0.445 175.103 174.600 0.095 0.000 1.318 53 S CA 1.130 59.374 58.200 0.073 0.000 1.056 53 S CB -0.004 63.227 63.200 0.052 0.000 0.853 53 S HN 0.254 8.598 8.310 0.057 0.000 0.505 54 N N -0.075 118.695 118.700 0.117 0.000 2.758 54 N HA -0.294 4.548 4.740 0.171 0.000 0.248 54 N C -0.405 175.254 175.510 0.248 0.000 1.076 54 N CA 1.494 54.644 53.050 0.167 0.000 0.696 54 N CB -2.102 36.466 38.487 0.135 0.000 0.979 54 N HN 0.355 8.848 8.380 0.104 -0.050 0.550 55 T N -9.561 105.128 114.554 0.225 0.000 3.043 55 T HA 0.122 4.501 4.350 0.049 0.000 0.272 55 T C -1.817 173.020 174.700 0.228 0.000 0.990 55 T CA -0.085 62.112 62.100 0.163 0.000 0.897 55 T CB 2.130 71.100 68.868 0.170 0.000 1.111 55 T HN -0.037 8.607 8.240 0.200 -0.284 0.529 56 A N 1.177 124.186 122.820 0.316 0.000 2.488 56 A HA 0.969 5.722 4.320 0.354 -0.221 0.298 56 A C -1.848 175.902 177.584 0.277 0.000 1.044 56 A CA -0.807 51.403 52.037 0.288 0.000 0.693 56 A CB 2.987 22.045 19.000 0.097 0.000 1.272 56 A HN -0.595 7.903 8.150 0.290 -0.175 0.402 57 V N -2.187 117.892 119.914 0.276 0.000 3.102 57 V HA 0.650 4.835 4.120 0.109 0.000 0.312 57 V C -2.155 174.022 176.094 0.139 0.000 1.135 57 V CA -2.835 59.549 62.300 0.141 0.000 1.022 57 V CB 3.746 35.586 31.823 0.028 0.000 1.056 57 V HN 0.511 8.910 8.190 0.349 0.000 0.436 58 V N -2.180 117.808 119.914 0.124 0.000 2.881 58 V HA 0.821 5.235 4.120 0.195 -0.177 0.316 58 V C -1.393 174.810 176.094 0.181 0.000 1.070 58 V CA -3.832 58.580 62.300 0.187 0.000 0.976 58 V CB 2.410 34.366 31.823 0.221 0.000 1.038 58 V HN 0.056 8.307 8.190 0.101 0.000 0.446 59 C N 3.851 123.263 119.300 0.186 0.000 2.599 59 C HA 0.274 4.770 4.460 0.060 0.000 0.354 59 C C -2.179 172.716 174.990 -0.158 0.000 1.092 59 C CA -0.167 58.894 59.018 0.071 0.000 1.280 59 C CB 2.106 29.912 27.740 0.110 0.000 1.829 59 C HN 0.523 8.899 8.230 0.243 0.000 0.454 60 Q N 7.028 126.633 119.800 -0.325 0.000 2.243 60 Q HA 0.818 4.633 4.340 -1.237 -0.218 0.252 60 Q C -1.472 174.402 176.000 -0.211 0.000 0.909 60 Q CA -0.586 54.800 55.803 -0.695 0.000 0.922 60 Q CB 1.888 30.236 28.738 -0.650 0.000 1.215 60 Q HN 0.341 8.511 8.270 -0.166 0.000 0.427 61 A N 5.814 128.578 122.820 -0.094 0.000 2.582 61 A HA 0.181 4.518 4.320 0.030 0.000 0.297 61 A C -2.718 174.940 177.584 0.124 0.000 1.059 61 A CA -0.285 51.801 52.037 0.081 0.000 0.705 61 A CB 3.101 22.167 19.000 0.109 0.000 1.279 61 A HN 0.416 8.424 8.150 -0.237 0.000 0.404 62 D N 0.586 120.982 120.400 -0.007 0.000 2.351 62 D HA -0.014 4.204 4.640 -0.703 0.000 0.251 62 D C 0.002 176.209 176.300 -0.155 0.000 1.137 62 D CA 0.127 53.955 54.000 -0.287 0.000 0.879 62 D CB 0.578 41.269 40.800 -0.182 0.000 1.181 62 D HN 0.183 8.569 8.370 0.027 0.000 0.448 63 L N 4.013 125.128 121.223 -0.181 0.000 2.769 63 L HA 0.227 4.517 4.340 -0.084 0.000 0.240 63 L C 0.057 176.887 176.870 -0.067 0.000 1.163 63 L CA -1.402 53.379 54.840 -0.099 0.000 0.962 63 L CB 0.135 42.136 42.059 -0.097 0.000 1.258 63 L HN 0.215 8.281 8.230 -0.273 0.000 0.513 64 T N 0.699 115.207 114.554 -0.077 0.000 2.940 64 T HA -0.352 3.995 4.350 -0.005 0.000 0.309 64 T C -0.274 174.420 174.700 -0.009 0.000 1.056 64 T CA 1.756 63.842 62.100 -0.024 0.000 1.137 64 T CB 0.748 69.612 68.868 -0.007 0.000 0.976 64 T HN -0.635 7.741 8.240 -0.130 -0.214 0.547 65 N N 7.268 125.972 118.700 0.006 0.000 2.458 65 N HA -0.181 4.566 4.740 0.011 0.000 0.258 65 N C -1.221 174.296 175.510 0.011 0.000 1.219 65 N CA 1.743 54.800 53.050 0.010 0.000 0.902 65 N CB 0.819 39.312 38.487 0.012 0.000 1.076 65 N HN 0.083 8.370 8.380 0.011 0.100 0.455 66 S N 2.247 117.954 115.700 0.012 0.000 2.656 66 S HA 0.178 4.655 4.470 0.013 0.000 0.265 66 S C -0.057 174.551 174.600 0.014 0.000 1.132 66 S CA -0.355 57.852 58.200 0.012 0.000 0.819 66 S CB 1.570 64.776 63.200 0.011 0.000 1.119 66 S HN -0.256 8.063 8.310 0.014 0.000 0.476 67 N N -0.097 118.611 118.700 0.013 0.000 2.364 67 N HA -0.236 4.513 4.740 0.014 0.000 0.183 67 N C 0.775 176.292 175.510 0.012 0.000 1.022 67 N CA 2.417 55.474 53.050 0.013 0.000 0.883 67 N CB -0.561 37.933 38.487 0.010 0.000 0.965 67 N HN 0.360 8.747 8.380 0.012 0.000 0.438 68 V N -5.969 113.951 119.914 0.010 0.000 3.650 68 V HA 0.180 4.305 4.120 0.007 0.000 0.271 68 V C 0.429 176.526 176.094 0.005 0.000 1.281 68 V CA 0.112 62.416 62.300 0.007 0.000 1.120 68 V CB 0.406 32.233 31.823 0.007 0.000 0.856 68 V HN -0.558 7.594 8.190 0.010 0.043 0.443 69 L N 2.704 123.931 121.223 0.007 0.000 2.042 69 L HA -0.013 4.324 4.340 -0.005 0.000 0.210 69 L C -1.138 175.734 176.870 0.005 0.000 1.076 69 L CA 4.624 59.466 54.840 0.003 0.000 0.749 69 L CB -2.673 39.391 42.059 0.009 0.000 0.893 69 L HN -0.725 7.511 8.230 0.010 0.000 0.432 70 P HA -0.331 4.092 4.420 0.004 0.000 0.215 70 P C 0.895 178.191 177.300 -0.007 0.000 1.153 70 P CA 3.181 66.285 63.100 0.007 0.000 0.853 70 P CB -1.062 30.649 31.700 0.019 0.000 0.788 71 A N -4.417 118.400 122.820 -0.004 0.000 1.930 71 A HA -0.324 3.990 4.320 -0.011 0.000 0.217 71 A C 1.973 179.552 177.584 -0.007 0.000 1.175 71 A CA 3.039 55.071 52.037 -0.007 0.000 0.627 71 A CB -0.866 18.132 19.000 -0.003 0.000 0.815 71 A HN -0.294 7.856 8.150 0.000 0.000 0.443 72 S N -0.583 115.113 115.700 -0.007 0.000 2.368 72 S HA -0.364 4.104 4.470 -0.003 0.000 0.225 72 S C 1.731 176.321 174.600 -0.016 0.000 1.030 72 S CA 4.415 62.610 58.200 -0.009 0.000 0.999 72 S CB -0.441 62.751 63.200 -0.013 0.000 0.844 72 S HN -0.393 7.914 8.310 -0.006 0.000 0.459 73 C N 2.118 121.403 119.300 -0.025 0.000 2.446 73 C HA -0.271 4.160 4.460 -0.047 0.000 0.277 73 C C 1.317 176.298 174.990 -0.015 0.000 1.275 73 C CA 3.896 62.893 59.018 -0.034 0.000 1.727 73 C CB -1.754 25.959 27.740 -0.044 0.000 2.010 73 C HN 0.006 8.223 8.230 -0.023 0.000 0.486 74 E N 0.427 120.618 120.200 -0.016 0.000 2.110 74 E HA -0.461 3.883 4.350 -0.011 0.000 0.193 74 E C 1.777 178.381 176.600 0.007 0.000 0.988 74 E CA 3.448 59.841 56.400 -0.012 0.000 0.804 74 E CB -0.180 29.505 29.700 -0.026 0.000 0.745 74 E HN -0.153 8.195 8.360 -0.021 0.000 0.458 75 E N -0.365 119.839 120.200 0.006 0.000 2.106 75 E HA -0.230 4.130 4.350 0.016 0.000 0.192 75 E C 2.325 178.947 176.600 0.037 0.000 0.984 75 E CA 2.260 58.670 56.400 0.017 0.000 0.806 75 E CB -0.613 29.093 29.700 0.010 0.000 0.750 75 E HN -0.480 7.870 8.360 -0.000 0.010 0.458 76 I N -0.067 120.524 120.570 0.035 0.000 2.179 76 I HA -0.426 3.783 4.170 0.066 0.000 0.242 76 I C 2.087 178.258 176.117 0.090 0.000 1.088 76 I CA 4.051 65.385 61.300 0.055 0.000 1.357 76 I CB 0.024 38.034 38.000 0.017 0.000 1.051 76 I HN -0.489 7.733 8.210 0.019 0.000 0.409 77 I N -1.243 119.390 120.570 0.104 0.000 2.226 77 I HA -0.454 3.838 4.170 0.204 0.000 0.245 77 I C 2.108 178.375 176.117 0.250 0.000 1.100 77 I CA 1.460 62.873 61.300 0.188 0.000 1.374 77 I CB -1.596 36.519 38.000 0.192 0.000 1.057 77 I HN -0.568 7.688 8.210 0.076 0.000 0.413 78 N N 0.246 119.040 118.700 0.156 0.000 2.149 78 N HA -0.332 4.518 4.740 0.184 0.000 0.188 78 N C 2.750 178.345 175.510 0.141 0.000 1.019 78 N CA 3.181 56.317 53.050 0.143 0.000 0.857 78 N CB -0.645 37.868 38.487 0.043 0.000 0.997 78 N HN -0.094 8.347 8.380 0.102 0.000 0.426 79 S N 1.145 116.898 115.700 0.088 0.000 2.382 79 S HA -0.218 4.258 4.470 0.010 0.000 0.228 79 S C 1.588 176.184 174.600 -0.007 0.000 1.027 79 S CA 3.771 61.990 58.200 0.032 0.000 0.991 79 S CB -0.614 62.605 63.200 0.031 0.000 0.823 79 S HN -0.055 8.291 8.310 0.086 0.015 0.469 80 C N 3.259 122.594 119.300 0.057 0.000 2.446 80 C HA -0.374 4.087 4.460 0.001 0.000 0.277 80 C C 1.419 176.372 174.990 -0.062 0.000 1.275 80 C CA 3.332 62.363 59.018 0.022 0.000 1.727 80 C CB -2.365 25.417 27.740 0.070 0.000 2.010 80 C HN -0.527 7.755 8.230 0.109 0.013 0.486 81 F N -0.762 119.195 119.950 0.012 0.000 2.134 81 F HA -0.408 4.137 4.527 0.030 0.000 0.299 81 F C 2.649 178.423 175.800 -0.043 0.000 1.097 81 F CA 4.350 62.349 58.000 -0.002 0.000 1.264 81 F CB -0.463 38.526 39.000 -0.019 0.000 1.001 81 F HN -0.666 7.803 8.300 0.281 0.000 0.479 82 R N -1.594 118.960 120.500 0.090 0.000 2.092 82 R HA -0.311 4.049 4.340 0.033 0.000 0.231 82 R C 1.615 177.846 176.300 -0.115 0.000 1.119 82 R CA 2.772 58.872 56.100 0.000 0.000 0.970 82 R CB -0.288 30.003 30.300 -0.014 0.000 0.864 82 R HN 0.099 8.433 8.270 0.107 0.000 0.440 83 A N -2.103 120.538 122.820 -0.299 0.000 1.897 83 A HA -0.077 3.980 4.320 -0.438 0.000 0.215 83 A C 0.814 178.068 177.584 -0.550 0.000 1.181 83 A CA 2.491 54.138 52.037 -0.649 0.000 0.620 83 A CB 0.531 18.686 19.000 -1.409 0.000 0.821 83 A HN -0.323 7.661 8.150 -0.277 0.000 0.443 84 F N -5.553 114.394 119.950 -0.005 0.000 2.767 84 F HA 0.159 4.679 4.527 -0.012 0.000 0.323 84 F C 0.792 176.564 175.800 -0.047 0.000 1.091 84 F CA 0.010 57.992 58.000 -0.031 0.000 1.192 84 F CB 2.047 41.017 39.000 -0.051 0.000 1.056 84 F HN -0.372 7.795 8.300 -0.221 0.000 0.571 85 G N -0.842 108.013 108.800 0.092 0.000 2.179 85 G HA2 -0.394 3.625 3.960 0.098 0.000 0.260 85 G HA3 -0.394 3.730 3.960 0.155 -0.071 0.260 85 G C -1.331 173.598 174.900 0.048 0.000 0.977 85 G CA 0.205 45.368 45.100 0.104 0.000 0.641 85 G HN 0.004 8.227 8.290 0.061 0.104 0.533 86 R N -4.303 116.047 120.500 -0.250 0.000 2.728 86 R HA 0.154 4.168 4.340 -0.544 0.000 0.274 86 R C -2.653 173.149 176.300 -0.829 0.000 1.032 86 R CA -1.099 54.704 56.100 -0.495 0.000 0.866 86 R CB 2.577 32.791 30.300 -0.145 0.000 1.263 86 R HN -0.682 7.386 8.270 -0.241 0.056 0.475 87 C N 2.499 121.319 119.300 -0.801 0.000 2.781 87 C HA 0.355 4.683 4.460 -0.221 0.000 0.348 87 C C -1.428 173.511 174.990 -0.085 0.000 1.051 87 C CA -0.313 58.458 59.018 -0.411 0.000 1.347 87 C CB 0.150 27.595 27.740 -0.491 0.000 1.846 87 C HN 0.434 8.267 8.230 -0.662 0.000 0.473 88 D N 6.948 127.418 120.400 0.116 0.000 2.338 88 D HA 0.237 4.992 4.640 0.191 0.000 0.208 88 D C -1.384 175.159 176.300 0.405 0.000 0.997 88 D CA 1.920 56.062 54.000 0.237 0.000 0.880 88 D CB 1.396 42.312 40.800 0.193 0.000 0.980 88 D HN 0.466 8.901 8.370 0.109 0.000 0.509 89 V N -2.753 117.355 119.914 0.324 0.000 2.760 89 V HA 0.928 5.327 4.120 0.021 -0.266 0.309 89 V C -2.347 173.745 176.094 -0.003 0.000 1.077 89 V CA -2.064 60.285 62.300 0.080 0.000 0.910 89 V CB 3.922 35.700 31.823 -0.075 0.000 1.008 89 V HN -0.641 7.729 8.190 0.299 0.000 0.424 90 L N 7.707 128.768 121.223 -0.269 0.000 2.356 90 L HA 0.644 5.060 4.340 -0.114 -0.144 0.277 90 L C -2.427 174.313 176.870 -0.216 0.000 0.996 90 L CA -1.356 53.331 54.840 -0.255 0.000 0.822 90 L CB 3.561 45.339 42.059 -0.469 0.000 1.256 90 L HN 0.035 8.023 8.230 -0.403 0.000 0.413 91 V N 7.151 126.985 119.914 -0.132 0.000 2.350 91 V HA 0.512 4.772 4.120 -0.125 -0.215 0.285 91 V C -1.527 174.520 176.094 -0.078 0.000 1.014 91 V CA -2.057 60.179 62.300 -0.108 0.000 0.831 91 V CB 0.871 32.641 31.823 -0.089 0.000 1.000 91 V HN 0.815 8.947 8.190 -0.098 0.000 0.433 92 N N 8.527 127.176 118.700 -0.084 0.000 2.555 92 N HA 0.234 4.937 4.740 -0.062 0.000 0.244 92 N C -0.884 174.603 175.510 -0.038 0.000 1.114 92 N CA 0.115 53.127 53.050 -0.064 0.000 0.963 92 N CB -0.423 38.022 38.487 -0.069 0.000 1.276 92 N HN 0.127 8.449 8.380 -0.098 0.000 0.510 93 N N 4.382 123.073 118.700 -0.014 0.000 2.516 93 N HA 0.034 4.770 4.740 -0.007 0.000 0.197 93 N C 0.023 175.554 175.510 0.034 0.000 1.064 93 N CA 0.046 53.099 53.050 0.005 0.000 0.866 93 N CB 1.492 39.985 38.487 0.011 0.000 1.255 93 N HN 0.043 8.416 8.380 -0.010 0.000 0.447 94 A N -0.087 122.768 122.820 0.058 0.000 2.531 94 A HA -0.136 4.255 4.320 0.118 0.000 0.236 94 A C -2.004 175.630 177.584 0.084 0.000 1.062 94 A CA 1.331 53.427 52.037 0.098 0.000 0.760 94 A CB 0.347 19.425 19.000 0.130 0.000 0.995 94 A HN -0.398 7.781 8.150 0.048 0.000 0.501 95 S N 0.310 116.080 115.700 0.116 0.000 2.605 95 S HA 0.006 4.553 4.470 0.129 0.000 0.279 95 S C -1.110 173.606 174.600 0.193 0.000 1.166 95 S CA 0.077 58.364 58.200 0.144 0.000 0.975 95 S CB 1.757 65.047 63.200 0.150 0.000 1.111 95 S HN -0.153 8.235 8.310 0.130 0.000 0.465 96 A N 7.187 130.127 122.820 0.199 0.000 2.371 96 A HA 0.312 4.796 4.320 0.272 0.000 0.257 96 A C -2.081 175.665 177.584 0.270 0.000 1.089 96 A CA 0.189 52.365 52.037 0.231 0.000 0.794 96 A CB 1.278 20.388 19.000 0.184 0.000 1.029 96 A HN 0.255 8.503 8.150 0.163 0.000 0.488 97 F N 2.193 122.178 119.950 0.059 0.000 2.787 97 F HA 0.122 4.592 4.527 -0.094 0.000 0.340 97 F C -2.639 173.234 175.800 0.120 0.000 1.232 97 F CA -0.225 57.755 58.000 -0.034 0.000 1.051 97 F CB 1.926 40.861 39.000 -0.109 0.000 1.330 97 F HN -0.129 8.395 8.300 0.374 0.000 0.522 98 Y N 2.387 122.491 120.300 -0.328 0.000 2.687 98 Y HA 0.249 4.494 4.550 -0.508 0.000 0.338 98 Y C -3.050 172.375 175.900 -0.791 0.000 1.189 98 Y CA -4.080 53.751 58.100 -0.447 0.000 1.097 98 Y CB 0.035 38.376 38.460 -0.198 0.000 1.342 98 Y HN -0.428 7.492 8.280 -0.600 0.000 0.461 99 P HA 0.074 3.544 4.420 -1.710 -0.077 0.274 99 P C -1.272 175.815 177.300 -0.356 0.000 1.231 99 P CA -0.117 62.312 63.100 -1.118 0.000 0.790 99 P CB 1.148 32.285 31.700 -0.938 0.000 0.951 100 T N -2.120 112.259 114.554 -0.291 0.000 3.305 100 T HA 0.428 4.746 4.350 -0.053 0.000 0.348 100 T C -2.294 172.357 174.700 -0.082 0.000 1.394 100 T CA -2.832 59.208 62.100 -0.100 0.000 1.549 100 T CB -0.192 68.648 68.868 -0.047 0.000 0.962 100 T HN 0.544 8.554 8.240 -0.384 0.000 0.609 101 P HA 0.060 4.456 4.420 -0.041 0.000 0.266 101 P C 0.361 177.649 177.300 -0.021 0.000 1.195 101 P CA -0.279 62.794 63.100 -0.045 0.000 0.768 101 P CB 0.612 32.288 31.700 -0.040 0.000 0.838 102 L N 1.968 123.186 121.223 -0.008 0.000 2.179 102 L HA -0.121 4.217 4.340 -0.003 0.000 0.208 102 L C 0.788 177.656 176.870 -0.003 0.000 1.096 102 L CA 1.371 56.210 54.840 -0.003 0.000 0.779 102 L CB -0.047 42.014 42.059 0.004 0.000 0.922 102 L HN 0.148 8.375 8.230 -0.005 0.000 0.443 115 T N 0.798 115.353 114.554 0.003 0.000 2.813 115 T HA 0.047 4.399 4.350 0.004 0.000 0.297 115 T C 0.527 175.241 174.700 0.023 0.000 1.036 115 T CA -0.322 61.784 62.100 0.009 0.000 1.044 115 T CB 1.367 70.241 68.868 0.010 0.000 0.993 115 T HN 0.213 8.455 8.240 0.004 0.000 0.535 116 V N 2.821 122.747 119.914 0.020 0.000 2.407 116 V HA -0.373 3.770 4.120 0.038 0.000 0.248 116 V C 0.779 176.892 176.094 0.032 0.000 1.055 116 V CA 3.259 65.576 62.300 0.028 0.000 1.049 116 V CB 0.102 31.935 31.823 0.017 0.000 0.662 116 V HN 0.384 8.582 8.190 0.013 0.000 0.455 117 E N -3.247 116.967 120.200 0.024 0.000 2.106 117 E HA -0.251 4.112 4.350 0.021 0.000 0.192 117 E C 2.509 179.130 176.600 0.036 0.000 0.984 117 E CA 3.417 59.831 56.400 0.024 0.000 0.806 117 E CB -1.358 28.352 29.700 0.016 0.000 0.750 117 E HN 0.390 8.750 8.360 0.020 0.012 0.458 118 T N 3.007 117.586 114.554 0.043 0.000 2.777 118 T HA -0.293 4.089 4.350 0.053 0.000 0.266 118 T C 1.905 176.664 174.700 0.099 0.000 1.040 118 T CA 4.837 66.973 62.100 0.060 0.000 1.141 118 T CB -0.398 68.500 68.868 0.050 0.000 0.868 118 T HN -0.634 7.627 8.240 0.037 0.000 0.444 119 Q N 1.974 121.846 119.800 0.119 0.000 2.084 119 Q HA -0.236 4.291 4.340 0.312 0.000 0.202 119 Q C 2.770 178.828 176.000 0.097 0.000 0.978 119 Q CA 3.119 59.035 55.803 0.189 0.000 0.844 119 Q CB -0.047 28.809 28.738 0.197 0.000 0.898 119 Q HN -0.451 7.875 8.270 0.093 0.000 0.426 120 V N -0.157 119.791 119.914 0.056 0.000 2.255 120 V HA -0.497 3.633 4.120 0.017 0.000 0.247 120 V C 1.892 178.004 176.094 0.029 0.000 1.051 120 V CA 3.823 66.139 62.300 0.028 0.000 1.018 120 V CB -0.968 30.866 31.823 0.017 0.000 0.641 120 V HN -0.066 8.158 8.190 0.056 0.000 0.445 121 A N -1.481 121.362 122.820 0.039 0.000 1.883 121 A HA -0.364 3.969 4.320 0.022 0.000 0.217 121 A C 2.564 180.173 177.584 0.042 0.000 1.186 121 A CA 3.324 55.381 52.037 0.034 0.000 0.624 121 A CB -0.762 18.260 19.000 0.036 0.000 0.822 121 A HN -0.251 7.925 8.150 0.044 0.000 0.444 122 E N -0.830 119.414 120.200 0.074 0.000 2.046 122 E HA -0.280 4.113 4.350 0.071 0.000 0.190 122 E C 2.804 179.438 176.600 0.056 0.000 0.982 122 E CA 2.970 59.425 56.400 0.091 0.000 0.800 122 E CB 0.128 29.945 29.700 0.195 0.000 0.756 122 E HN -0.394 8.021 8.360 0.092 0.000 0.449 123 L N -1.257 119.975 121.223 0.015 0.000 2.072 123 L HA -0.191 4.144 4.340 -0.007 0.000 0.205 123 L C 2.511 179.382 176.870 0.001 0.000 1.079 123 L CA 3.051 57.878 54.840 -0.022 0.000 0.752 123 L CB 0.298 42.293 42.059 -0.107 0.000 0.906 123 L HN -0.090 8.154 8.230 0.024 0.000 0.436 124 I N -2.881 117.687 120.570 -0.003 0.000 2.406 124 I HA -0.206 3.953 4.170 -0.019 0.000 0.249 124 I C 2.217 178.333 176.117 -0.002 0.000 1.122 124 I CA 0.981 62.275 61.300 -0.010 0.000 1.431 124 I CB -1.588 36.403 38.000 -0.014 0.000 1.087 124 I HN -0.068 8.142 8.210 0.000 0.000 0.424 125 G N -0.313 108.491 108.800 0.008 0.000 2.453 125 G HA2 -0.323 3.840 3.960 0.010 0.000 0.215 125 G HA3 -0.323 3.644 3.960 0.011 0.000 0.215 125 G C 1.285 176.191 174.900 0.009 0.000 1.201 125 G CA 2.694 47.800 45.100 0.010 0.000 0.784 125 G HN -0.123 8.174 8.290 0.012 0.000 0.545 126 T N 0.247 114.811 114.554 0.016 0.000 2.777 126 T HA -0.269 4.082 4.350 0.002 0.000 0.266 126 T C 1.442 176.152 174.700 0.017 0.000 1.040 126 T CA 3.316 65.427 62.100 0.019 0.000 1.141 126 T CB -0.314 68.585 68.868 0.053 0.000 0.868 126 T HN -0.351 7.903 8.240 0.024 0.000 0.444 127 N N -0.208 118.502 118.700 0.016 0.000 2.446 127 N HA -0.062 4.679 4.740 0.001 0.000 0.179 127 N C -0.643 174.854 175.510 -0.022 0.000 1.054 127 N CA 2.439 55.484 53.050 -0.008 0.000 0.905 127 N CB 1.257 39.719 38.487 -0.041 0.000 0.973 127 N HN -0.657 7.734 8.380 0.018 0.000 0.448 128 A N -1.994 120.821 122.820 -0.008 0.000 1.703 128 A HA 0.230 4.552 4.320 0.002 0.000 0.211 128 A C 0.174 177.783 177.584 0.043 0.000 1.773 128 A CA 1.653 53.691 52.037 0.001 0.000 1.186 128 A CB 1.052 20.039 19.000 -0.022 0.000 1.117 128 A HN -0.653 7.450 8.150 -0.002 0.046 0.501 129 I N 0.168 120.760 120.570 0.037 0.000 2.286 129 I HA -0.274 3.961 4.170 0.108 0.000 0.245 129 I C 1.739 177.935 176.117 0.130 0.000 1.104 129 I CA 0.926 62.278 61.300 0.086 0.000 1.397 129 I CB -1.411 36.615 38.000 0.043 0.000 1.072 129 I HN -0.105 8.115 8.210 0.016 0.000 0.417 130 A N 0.092 122.945 122.820 0.054 0.000 1.902 130 A HA -0.036 4.297 4.320 0.022 0.000 0.217 130 A C -1.099 176.490 177.584 0.008 0.000 1.181 130 A CA 4.519 56.565 52.037 0.015 0.000 0.623 130 A CB -2.625 16.355 19.000 -0.034 0.000 0.818 130 A HN 0.338 8.508 8.150 0.033 0.000 0.443 131 P HA -0.265 4.319 4.420 -0.037 -0.187 0.216 131 P C 1.425 178.744 177.300 0.032 0.000 1.153 131 P CA 2.741 65.842 63.100 0.002 0.000 0.858 131 P CB -0.342 31.360 31.700 0.004 0.000 0.789 132 F N -0.996 118.929 119.950 -0.042 0.000 2.102 132 F HA -0.345 4.163 4.527 -0.033 0.000 0.298 132 F C 1.245 177.031 175.800 -0.023 0.000 1.105 132 F CA 3.742 61.723 58.000 -0.031 0.000 1.239 132 F CB 0.125 39.109 39.000 -0.026 0.000 0.991 132 F HN -0.555 7.884 8.300 0.232 0.000 0.474 133 L N -1.651 119.477 121.223 -0.158 0.000 2.093 133 L HA -0.380 3.680 4.340 -0.466 0.000 0.208 133 L C 2.299 179.054 176.870 -0.191 0.000 1.085 133 L CA 2.913 57.608 54.840 -0.241 0.000 0.755 133 L CB -0.312 41.734 42.059 -0.022 0.000 0.904 133 L HN -0.281 8.008 8.230 0.098 0.000 0.435 134 L N -1.429 119.727 121.223 -0.113 0.000 2.046 134 L HA -0.411 3.904 4.340 -0.043 0.000 0.208 134 L C 2.438 179.275 176.870 -0.056 0.000 1.077 134 L CA 3.539 58.338 54.840 -0.068 0.000 0.747 134 L CB -0.639 41.381 42.059 -0.065 0.000 0.896 134 L HN 0.304 8.482 8.230 -0.087 0.000 0.432 135 T N 1.338 115.817 114.554 -0.126 0.000 2.708 135 T HA -0.440 3.865 4.350 -0.076 0.000 0.266 135 T C 1.896 176.531 174.700 -0.107 0.000 1.037 135 T CA 4.634 66.667 62.100 -0.113 0.000 1.146 135 T CB -0.306 68.481 68.868 -0.136 0.000 0.865 135 T HN -0.200 7.953 8.240 -0.146 0.000 0.435 136 M N 1.780 121.207 119.600 -0.288 0.000 2.117 136 M HA -0.418 3.920 4.480 -0.236 0.000 0.262 136 M C 1.714 177.930 176.300 -0.140 0.000 1.065 136 M CA 4.278 59.413 55.300 -0.275 0.000 1.114 136 M CB -0.098 32.201 32.600 -0.503 0.000 1.361 136 M HN -0.032 8.008 8.290 -0.418 0.000 0.408 137 S N 0.164 115.805 115.700 -0.098 0.000 2.368 137 S HA -0.277 4.146 4.470 -0.077 0.000 0.224 137 S C 1.999 176.612 174.600 0.022 0.000 1.029 137 S CA 3.823 61.997 58.200 -0.044 0.000 0.988 137 S CB -0.624 62.562 63.200 -0.023 0.000 0.838 137 S HN -0.304 7.932 8.310 -0.124 0.000 0.462 138 F N 2.812 122.728 119.950 -0.057 0.000 2.069 138 F HA -0.480 4.094 4.527 0.078 0.000 0.298 138 F C 0.617 176.396 175.800 -0.035 0.000 1.113 138 F CA 3.450 61.451 58.000 0.001 0.000 1.214 138 F CB 0.251 39.241 39.000 -0.016 0.000 0.978 138 F HN -0.223 8.195 8.300 0.197 0.000 0.474 139 A N -3.357 119.526 122.820 0.105 0.000 1.902 139 A HA -0.336 3.933 4.320 -0.085 0.000 0.217 139 A C 2.377 179.829 177.584 -0.220 0.000 1.181 139 A CA 2.741 54.725 52.037 -0.088 0.000 0.623 139 A CB -0.747 18.177 19.000 -0.125 0.000 0.818 139 A HN -0.082 8.173 8.150 0.174 0.000 0.443 140 Q N -0.668 119.024 119.800 -0.179 0.000 2.124 140 Q HA -0.271 3.954 4.340 -0.192 0.000 0.202 140 Q C 2.851 178.729 176.000 -0.204 0.000 0.977 140 Q CA 2.672 58.365 55.803 -0.183 0.000 0.850 140 Q CB -0.140 28.511 28.738 -0.146 0.000 0.901 140 Q HN -0.200 7.986 8.270 -0.139 0.000 0.429 141 R N -1.927 118.428 120.500 -0.240 0.000 2.280 141 R HA -0.115 4.007 4.340 -0.365 0.000 0.207 141 R C 1.037 177.195 176.300 -0.237 0.000 1.043 141 R CA 1.348 57.247 56.100 -0.336 0.000 1.006 141 R CB -0.491 29.509 30.300 -0.499 0.000 0.885 141 R HN -0.587 7.554 8.270 -0.214 0.000 0.467 142 Q N -3.853 115.822 119.800 -0.208 0.000 2.194 142 Q HA 0.223 4.514 4.340 -0.083 0.000 0.214 142 Q C -0.689 175.268 176.000 -0.073 0.000 0.838 142 Q CA -1.114 54.611 55.803 -0.130 0.000 0.972 142 Q CB 0.358 29.000 28.738 -0.160 0.000 1.131 142 Q HN -0.435 7.507 8.270 -0.239 0.184 0.498 152 S N 5.807 121.515 115.700 0.013 0.000 2.576 152 S HA -0.020 4.459 4.470 0.015 0.000 0.276 152 S C -0.587 174.033 174.600 0.033 0.000 1.339 152 S CA 0.244 58.458 58.200 0.023 0.000 1.039 152 S CB 0.328 63.549 63.200 0.034 0.000 0.902 152 S HN -0.238 8.081 8.310 0.016 0.000 0.516 153 N N 2.886 121.613 118.700 0.046 0.000 2.725 153 N HA 0.081 4.852 4.740 0.052 0.000 0.248 153 N C -1.321 174.247 175.510 0.097 0.000 1.402 153 N CA 0.119 53.203 53.050 0.057 0.000 0.766 153 N CB 0.535 39.047 38.487 0.040 0.000 1.223 153 N HN 0.286 8.694 8.380 0.046 0.000 0.515 154 L N 3.153 124.449 121.223 0.121 0.000 2.305 154 L HA 0.393 5.094 4.340 0.248 -0.212 0.281 154 L C -0.886 176.081 176.870 0.161 0.000 1.085 154 L CA -0.323 54.641 54.840 0.207 0.000 0.813 154 L CB 0.278 42.487 42.059 0.251 0.000 1.157 154 L HN 0.183 8.476 8.230 0.104 0.000 0.436 155 S N 1.900 117.674 115.700 0.124 0.000 2.588 155 S HA 0.853 5.471 4.470 -0.018 -0.159 0.269 155 S C -2.044 172.425 174.600 -0.218 0.000 1.157 155 S CA -0.441 57.741 58.200 -0.031 0.000 0.824 155 S CB 3.651 66.825 63.200 -0.044 0.000 1.126 155 S HN 0.237 8.652 8.310 0.176 0.000 0.464 156 I N -0.560 119.857 120.570 -0.254 0.000 2.509 156 I HA 0.836 4.980 4.170 -0.385 -0.205 0.293 156 I C -1.359 174.645 176.117 -0.188 0.000 1.020 156 I CA -1.531 59.578 61.300 -0.318 0.000 1.088 156 I CB 3.711 41.489 38.000 -0.370 0.000 1.267 156 I HN 0.241 8.343 8.210 -0.180 0.000 0.430 157 V N 5.262 125.075 119.914 -0.169 0.000 2.483 157 V HA 0.545 4.821 4.120 -0.102 -0.217 0.297 157 V C -1.453 174.580 176.094 -0.102 0.000 1.027 157 V CA -2.391 59.840 62.300 -0.116 0.000 0.855 157 V CB 1.820 33.583 31.823 -0.100 0.000 0.995 157 V HN 0.602 8.677 8.190 -0.192 0.000 0.424 158 N N 6.771 125.422 118.700 -0.081 0.000 2.421 158 N HA 0.294 4.992 4.740 -0.071 0.000 0.285 158 N C -1.221 174.255 175.510 -0.056 0.000 1.027 158 N CA -1.179 51.830 53.050 -0.068 0.000 0.918 158 N CB 2.028 40.478 38.487 -0.062 0.000 1.152 158 N HN 0.415 8.749 8.380 -0.076 0.000 0.485 159 L N 3.572 124.765 121.223 -0.050 0.000 2.295 159 L HA 0.234 4.712 4.340 -0.045 -0.165 0.288 159 L C -0.175 176.666 176.870 -0.048 0.000 1.079 159 L CA -0.423 54.391 54.840 -0.044 0.000 0.830 159 L CB -2.203 39.835 42.059 -0.035 0.000 1.200 159 L HN 0.025 8.226 8.230 -0.048 0.000 0.438 160 C N 4.600 123.866 119.300 -0.057 0.000 2.370 160 C HA 0.095 4.504 4.460 -0.086 0.000 0.371 160 C C -1.548 173.401 174.990 -0.068 0.000 2.631 160 C CA -1.475 57.499 59.018 -0.074 0.000 1.819 160 C CB 1.928 29.621 27.740 -0.078 0.000 2.131 160 C HN 0.366 8.564 8.230 -0.053 0.000 0.400 161 D N -0.483 119.868 120.400 -0.081 0.000 2.763 161 D HA 0.056 4.778 4.640 -0.052 -0.114 0.235 161 D C -0.179 176.081 176.300 -0.066 0.000 1.334 161 D CA -0.307 53.658 54.000 -0.058 0.000 0.950 161 D CB 1.715 42.505 40.800 -0.017 0.000 1.433 161 D HN -0.321 7.989 8.370 -0.100 0.000 0.580 162 A N 5.773 128.559 122.820 -0.056 0.000 2.070 162 A HA -0.054 4.238 4.320 -0.046 0.000 0.220 162 A C 0.790 178.358 177.584 -0.027 0.000 1.159 162 A CA 2.457 54.468 52.037 -0.043 0.000 0.656 162 A CB 0.158 19.137 19.000 -0.035 0.000 0.800 162 A HN 0.741 8.856 8.150 -0.060 0.000 0.453 163 M N -3.992 115.596 119.600 -0.019 0.000 2.493 163 M HA 0.233 4.731 4.480 0.030 0.000 0.244 163 M C 0.968 177.286 176.300 0.029 0.000 1.182 163 M CA -2.281 53.030 55.300 0.018 0.000 0.981 163 M CB -1.636 30.979 32.600 0.025 0.000 1.551 163 M HN -0.453 8.054 8.290 -0.030 -0.236 0.476 164 V N 2.466 122.362 119.914 -0.030 0.000 2.594 164 V HA -0.325 3.784 4.120 -0.019 0.000 0.253 164 V C 0.110 176.230 176.094 0.043 0.000 1.069 164 V CA 2.772 65.025 62.300 -0.078 0.000 1.082 164 V CB -0.055 31.572 31.823 -0.325 0.000 0.680 164 V HN -0.546 7.521 8.190 -0.056 0.089 0.469 165 D N -3.085 117.349 120.400 0.057 0.000 2.363 165 D HA 0.111 4.885 4.640 0.222 0.000 0.214 165 D C -0.960 175.408 176.300 0.113 0.000 1.093 165 D CA 0.573 54.652 54.000 0.131 0.000 0.837 165 D CB 0.272 41.129 40.800 0.095 0.000 0.948 165 D HN 0.124 8.474 8.370 0.018 0.031 0.507 166 Q N -0.759 119.105 119.800 0.106 0.000 3.075 166 Q HA 0.372 4.775 4.340 0.105 0.000 0.318 166 Q C -2.502 173.576 176.000 0.129 0.000 0.907 166 Q CA -2.459 53.410 55.803 0.110 0.000 0.882 166 Q CB 1.145 29.944 28.738 0.102 0.000 1.386 166 Q HN -0.521 7.630 8.270 0.098 0.178 0.408 167 P HA -0.003 4.517 4.420 0.165 0.000 0.272 167 P C -0.430 176.969 177.300 0.165 0.000 1.223 167 P CA -0.427 62.771 63.100 0.163 0.000 0.784 167 P CB 0.760 32.566 31.700 0.176 0.000 0.923 168 C N 1.334 120.727 119.300 0.153 0.000 2.605 168 C HA 0.156 4.727 4.460 0.185 0.000 0.404 168 C C 0.790 175.948 174.990 0.280 0.000 1.284 168 C CA 0.048 59.163 59.018 0.162 0.000 2.199 168 C CB 0.436 28.127 27.740 -0.082 0.000 2.647 168 C HN 0.272 8.581 8.230 0.131 0.000 0.604 169 M N 5.092 124.848 119.600 0.260 0.000 2.284 169 M HA -0.168 4.420 4.480 0.180 0.000 0.351 169 M C 0.153 176.626 176.300 0.289 0.000 1.443 169 M CA 1.085 56.521 55.300 0.226 0.000 1.031 169 M CB 0.134 32.831 32.600 0.163 0.000 1.893 169 M HN 0.379 8.805 8.290 0.227 0.000 0.456 170 A N 2.527 125.454 122.820 0.177 0.000 3.028 170 A HA -0.354 3.987 4.320 0.036 0.000 0.248 170 A C -1.404 176.153 177.584 -0.046 0.000 1.316 170 A CA 1.295 53.361 52.037 0.049 0.000 1.003 170 A CB -2.065 16.916 19.000 -0.031 0.000 1.148 170 A HN 0.609 8.853 8.150 0.157 0.000 0.828 171 F N -2.986 116.983 119.950 0.032 0.000 2.925 171 F HA 0.162 4.680 4.527 -0.015 0.000 0.302 171 F C 0.346 176.200 175.800 0.090 0.000 1.189 171 F CA -0.974 57.049 58.000 0.038 0.000 1.346 171 F CB -0.290 38.744 39.000 0.056 0.000 0.954 171 F HN -0.457 8.024 8.300 0.391 0.053 0.506 172 S N 3.949 119.737 115.700 0.147 0.000 2.356 172 S HA -0.326 4.225 4.470 0.135 0.000 0.223 172 S C 1.755 176.409 174.600 0.090 0.000 1.032 172 S CA 4.613 62.879 58.200 0.110 0.000 1.005 172 S CB -0.413 62.817 63.200 0.049 0.000 0.867 172 S HN 0.071 8.370 8.310 0.086 0.063 0.449 173 L N -0.224 121.034 121.223 0.058 0.000 2.056 173 L HA -0.314 4.037 4.340 0.018 0.000 0.207 173 L C 1.681 178.587 176.870 0.061 0.000 1.078 173 L CA 3.003 57.861 54.840 0.030 0.000 0.749 173 L CB -0.211 41.843 42.059 -0.009 0.000 0.901 173 L HN -0.671 7.581 8.230 0.037 0.000 0.433 174 Y N -0.778 119.528 120.300 0.009 0.000 2.114 174 Y HA -0.515 4.054 4.550 0.033 0.000 0.282 174 Y C 1.261 177.229 175.900 0.112 0.000 1.165 174 Y CA 3.232 61.378 58.100 0.075 0.000 1.148 174 Y CB -0.428 38.148 38.460 0.195 0.000 0.972 174 Y HN -0.196 8.210 8.280 0.210 0.000 0.504 175 N N -1.034 117.716 118.700 0.083 0.000 2.166 175 N HA -0.407 4.264 4.740 -0.115 0.000 0.186 175 N C 2.278 177.818 175.510 0.049 0.000 1.019 175 N CA 3.375 56.446 53.050 0.035 0.000 0.856 175 N CB 0.170 38.781 38.487 0.206 0.000 0.993 175 N HN -0.298 8.251 8.380 0.281 0.000 0.426 176 M N -0.139 119.477 119.600 0.027 0.000 2.108 176 M HA -0.386 4.103 4.480 0.016 0.000 0.261 176 M C 1.955 178.248 176.300 -0.012 0.000 1.066 176 M CA 4.361 59.665 55.300 0.008 0.000 1.107 176 M CB -0.168 32.424 32.600 -0.014 0.000 1.356 176 M HN 0.301 8.613 8.290 0.037 0.000 0.406 177 G N -1.261 107.495 108.800 -0.073 0.000 2.421 177 G HA2 -0.392 3.501 3.960 -0.112 0.000 0.216 177 G HA3 -0.392 3.531 3.960 -0.061 0.000 0.216 177 G C 1.122 175.941 174.900 -0.134 0.000 1.171 177 G CA 2.107 47.148 45.100 -0.097 0.000 0.775 177 G HN 0.028 8.271 8.290 -0.078 0.000 0.543 178 K N 1.086 121.335 120.400 -0.252 0.000 2.148 178 K HA -0.214 3.976 4.320 -0.216 0.000 0.204 178 K C 2.351 178.856 176.600 -0.158 0.000 1.050 178 K CA 2.363 58.499 56.287 -0.251 0.000 0.942 178 K CB -0.792 31.466 32.500 -0.403 0.000 0.724 178 K HN -0.329 7.712 8.250 -0.347 0.000 0.446 179 H N -0.365 118.631 119.070 -0.122 0.000 2.357 179 H HA -0.215 4.302 4.556 -0.064 0.000 0.301 179 H C 2.029 177.319 175.328 -0.063 0.000 1.082 179 H CA 3.866 59.870 56.048 -0.074 0.000 1.342 179 H CB 0.460 30.189 29.762 -0.055 0.000 1.389 179 H HN -0.195 8.123 8.280 0.064 0.000 0.511 180 A N -0.650 122.205 122.820 0.060 0.000 1.940 180 A HA -0.283 4.046 4.320 0.014 0.000 0.219 180 A C 2.006 179.582 177.584 -0.013 0.000 1.176 180 A CA 3.042 55.084 52.037 0.007 0.000 0.631 180 A CB -0.749 18.239 19.000 -0.021 0.000 0.814 180 A HN 0.091 8.278 8.150 0.062 0.000 0.446 181 L N -1.517 119.685 121.223 -0.034 0.000 2.093 181 L HA -0.267 4.061 4.340 -0.020 0.000 0.208 181 L C 1.607 178.453 176.870 -0.040 0.000 1.085 181 L CA 2.809 57.626 54.840 -0.039 0.000 0.755 181 L CB -0.138 41.883 42.059 -0.063 0.000 0.904 181 L HN -0.520 7.579 8.230 -0.047 0.102 0.435 182 V N -1.236 118.644 119.914 -0.056 0.000 2.287 182 V HA -0.537 3.551 4.120 -0.053 0.000 0.248 182 V C 1.979 178.061 176.094 -0.019 0.000 1.053 182 V CA 4.117 66.388 62.300 -0.050 0.000 1.027 182 V CB -1.191 30.585 31.823 -0.078 0.000 0.646 182 V HN -0.536 7.610 8.190 -0.073 0.000 0.447 183 G N -0.990 107.808 108.800 -0.003 0.000 2.440 183 G HA2 -0.334 3.631 3.960 0.008 0.000 0.218 183 G HA3 -0.334 3.631 3.960 0.008 0.000 0.218 183 G C 1.083 175.989 174.900 0.010 0.000 1.154 183 G CA 2.180 47.284 45.100 0.006 0.000 0.767 183 G HN -0.513 7.777 8.290 0.000 0.000 0.552 184 L N 0.953 122.185 121.223 0.014 0.000 2.012 184 L HA -0.269 4.108 4.340 0.063 0.000 0.210 184 L C 1.801 178.686 176.870 0.025 0.000 1.073 184 L CA 3.118 57.984 54.840 0.042 0.000 0.748 184 L CB -0.319 41.778 42.059 0.063 0.000 0.891 184 L HN -0.016 8.218 8.230 0.006 0.000 0.431 185 T N 1.006 115.560 114.554 -0.001 0.000 2.684 185 T HA -0.439 3.899 4.350 -0.021 0.000 0.267 185 T C 2.412 177.107 174.700 -0.008 0.000 1.036 185 T CA 4.908 66.999 62.100 -0.015 0.000 1.148 185 T CB -0.602 68.249 68.868 -0.029 0.000 0.863 185 T HN -0.243 7.993 8.240 -0.006 0.000 0.436 186 Q N 0.780 120.578 119.800 -0.003 0.000 2.046 186 Q HA -0.325 4.012 4.340 -0.005 0.000 0.200 186 Q C 2.769 178.775 176.000 0.011 0.000 0.975 186 Q CA 3.720 59.523 55.803 0.000 0.000 0.836 186 Q CB -0.186 28.553 28.738 0.001 0.000 0.896 186 Q HN -0.355 7.913 8.270 -0.003 0.000 0.428 187 S N 0.809 116.522 115.700 0.021 0.000 2.356 187 S HA -0.250 4.238 4.470 0.030 0.000 0.223 187 S C 2.093 176.719 174.600 0.044 0.000 1.032 187 S CA 3.603 61.823 58.200 0.035 0.000 1.005 187 S CB -0.471 62.756 63.200 0.045 0.000 0.867 187 S HN 0.038 8.360 8.310 0.020 0.000 0.449 188 A N 0.832 123.678 122.820 0.044 0.000 1.930 188 A HA -0.285 4.067 4.320 0.053 0.000 0.217 188 A C 1.387 178.989 177.584 0.029 0.000 1.175 188 A CA 2.761 54.822 52.037 0.040 0.000 0.627 188 A CB -0.635 18.379 19.000 0.024 0.000 0.815 188 A HN 0.068 8.243 8.150 0.041 0.000 0.443 189 A N -0.292 122.535 122.820 0.011 0.000 1.883 189 A HA -0.278 4.043 4.320 0.000 0.000 0.217 189 A C 1.727 179.318 177.584 0.012 0.000 1.186 189 A CA 2.881 54.919 52.037 0.002 0.000 0.624 189 A CB -0.559 18.432 19.000 -0.016 0.000 0.822 189 A HN -0.430 7.724 8.150 0.007 0.000 0.444 190 L N -2.052 119.181 121.223 0.016 0.000 2.017 190 L HA -0.318 4.026 4.340 0.006 0.000 0.208 190 L C 1.829 178.725 176.870 0.044 0.000 1.073 190 L CA 2.876 57.728 54.840 0.020 0.000 0.745 190 L CB 0.041 42.111 42.059 0.019 0.000 0.894 190 L HN -0.497 7.743 8.230 0.016 0.000 0.432 191 E N -1.642 118.597 120.200 0.065 0.000 2.158 191 E HA -0.205 4.203 4.350 0.096 0.000 0.191 191 E C 1.464 178.170 176.600 0.177 0.000 0.982 191 E CA 2.484 58.946 56.400 0.103 0.000 0.823 191 E CB 0.535 30.292 29.700 0.095 0.000 0.766 191 E HN -0.524 7.870 8.360 0.058 0.000 0.468 192 L N -2.747 118.570 121.223 0.157 0.000 2.529 192 L HA 0.134 4.720 4.340 0.409 0.000 0.223 192 L C 1.225 178.236 176.870 0.235 0.000 1.113 192 L CA 0.424 55.411 54.840 0.245 0.000 0.861 192 L CB 0.252 42.390 42.059 0.131 0.000 1.012 192 L HN -0.266 8.027 8.230 0.106 0.000 0.461 193 A N 1.021 123.910 122.820 0.114 0.000 1.927 193 A HA -0.142 4.203 4.320 0.042 0.000 0.220 193 A C -0.601 176.998 177.584 0.026 0.000 1.185 193 A CA 4.273 56.337 52.037 0.047 0.000 0.639 193 A CB -2.745 16.251 19.000 -0.007 0.000 0.820 193 A HN -0.309 7.854 8.150 0.091 0.041 0.451 194 P HA -0.144 4.196 4.420 -0.134 0.000 0.225 194 P C -0.303 176.827 177.300 -0.284 0.000 1.148 194 P CA 2.071 65.061 63.100 -0.184 0.000 0.779 194 P CB -0.261 31.250 31.700 -0.315 0.000 0.780 195 Y N -3.724 116.585 120.300 0.015 0.000 2.466 195 Y HA 0.021 4.580 4.550 0.015 0.000 0.272 195 Y C 1.141 177.058 175.900 0.028 0.000 1.169 195 Y CA 0.479 58.592 58.100 0.021 0.000 1.285 195 Y CB 0.056 38.534 38.460 0.029 0.000 1.078 195 Y HN -0.533 7.689 8.280 0.156 0.152 0.523 196 G N -1.100 107.775 108.800 0.126 0.000 2.143 196 G HA2 -0.462 3.549 3.960 0.084 0.000 0.248 196 G HA3 -0.462 3.533 3.960 0.057 0.000 0.248 196 G C -0.613 174.355 174.900 0.114 0.000 0.991 196 G CA 0.485 45.640 45.100 0.091 0.000 0.689 196 G HN -0.262 7.898 8.290 0.092 0.186 0.522 197 I N 0.806 121.470 120.570 0.156 0.000 2.304 197 I HA -0.085 4.359 4.170 0.160 -0.177 0.291 197 I C -0.636 175.528 176.117 0.078 0.000 1.018 197 I CA -0.345 61.048 61.300 0.155 0.000 1.260 197 I CB 0.104 38.240 38.000 0.227 0.000 1.390 197 I HN -0.892 7.382 8.210 0.190 0.050 0.475 198 R N 6.749 127.270 120.500 0.034 0.000 2.459 198 R HA 0.160 4.490 4.340 -0.018 0.000 0.281 198 R C -1.245 175.030 176.300 -0.042 0.000 1.050 198 R CA -0.534 55.556 56.100 -0.016 0.000 1.055 198 R CB 1.858 32.135 30.300 -0.038 0.000 1.045 198 R HN -0.196 8.101 8.270 0.045 0.000 0.495 199 V N 1.770 121.654 119.914 -0.050 0.000 2.524 199 V HA 0.505 4.744 4.120 -0.093 -0.176 0.297 199 V C -1.691 174.368 176.094 -0.058 0.000 1.035 199 V CA -1.217 61.043 62.300 -0.067 0.000 0.867 199 V CB 1.409 33.200 31.823 -0.052 0.000 1.004 199 V HN 0.146 8.309 8.190 -0.045 0.000 0.426 200 N N 5.604 124.264 118.700 -0.066 0.000 2.697 200 N HA 0.590 5.380 4.740 -0.039 -0.073 0.272 200 N C -1.946 173.535 175.510 -0.049 0.000 1.381 200 N CA -1.002 52.019 53.050 -0.049 0.000 0.797 200 N CB 5.260 43.719 38.487 -0.046 0.000 1.523 200 N HN 0.446 8.777 8.380 -0.081 0.000 0.518 201 G N -2.528 106.252 108.800 -0.034 0.000 2.533 201 G HA2 0.740 4.677 3.960 -0.038 0.000 0.304 201 G HA3 0.740 4.843 3.960 -0.045 -0.170 0.304 201 G C -2.744 172.144 174.900 -0.021 0.000 1.263 201 G CA -1.028 44.050 45.100 -0.036 0.000 0.964 201 G HN 0.445 8.721 8.290 -0.024 0.000 0.479 202 V N 1.021 120.919 119.914 -0.027 0.000 2.444 202 V HA 0.493 4.769 4.120 -0.007 -0.161 0.294 202 V C -2.068 174.006 176.094 -0.033 0.000 1.022 202 V CA -2.147 60.142 62.300 -0.019 0.000 0.850 202 V CB 2.666 34.480 31.823 -0.015 0.000 0.992 202 V HN 0.066 8.234 8.190 -0.036 0.000 0.426 203 A N 8.346 131.146 122.820 -0.034 0.000 2.508 203 A HA 0.638 4.927 4.320 -0.052 0.000 0.336 203 A C -2.957 174.597 177.584 -0.049 0.000 1.360 203 A CA -3.364 48.645 52.037 -0.046 0.000 0.841 203 A CB 0.241 19.213 19.000 -0.047 0.000 1.136 203 A HN 0.748 8.883 8.150 -0.025 0.000 0.489 204 P HA 0.148 4.711 4.420 -0.065 -0.182 0.270 204 P C 0.259 177.506 177.300 -0.088 0.000 1.223 204 P CA -0.349 62.706 63.100 -0.076 0.000 0.785 204 P CB 0.924 32.566 31.700 -0.096 0.000 0.923 205 G N 0.226 108.971 108.800 -0.092 0.000 2.618 205 G HA2 0.047 3.961 3.960 -0.078 0.000 0.222 205 G HA3 0.047 3.945 3.960 -0.103 0.000 0.222 205 G C -1.243 173.536 174.900 -0.203 0.000 1.520 205 G CA 0.263 45.297 45.100 -0.110 0.000 0.930 205 G HN -0.073 8.169 8.290 -0.080 0.000 0.547 206 V N -3.073 116.730 119.914 -0.186 0.000 2.417 206 V HA 0.377 4.297 4.120 -0.333 0.000 0.291 206 V C -1.833 174.168 176.094 -0.155 0.000 1.024 206 V CA -1.699 60.451 62.300 -0.251 0.000 0.861 206 V CB 1.137 32.791 31.823 -0.281 0.000 0.985 206 V HN -0.274 7.843 8.190 -0.121 0.000 0.436 207 S N 7.609 123.207 115.700 -0.170 0.000 3.831 207 S HA 0.314 4.948 4.470 -0.091 -0.218 0.222 207 S C -0.888 173.641 174.600 -0.120 0.000 1.036 207 S CA -1.675 56.454 58.200 -0.118 0.000 1.519 207 S CB 1.238 64.374 63.200 -0.107 0.000 1.039 207 S HN 0.256 8.437 8.310 -0.216 0.000 0.690 208 L N 2.128 123.289 121.223 -0.103 0.000 2.513 208 L HA -0.109 4.191 4.340 -0.067 0.000 0.272 208 L C -0.641 176.159 176.870 -0.117 0.000 1.187 208 L CA 0.625 55.413 54.840 -0.087 0.000 0.895 208 L CB -0.048 41.971 42.059 -0.068 0.000 1.147 208 L HN -0.026 8.146 8.230 -0.097 0.000 0.483 209 L N 5.712 126.882 121.223 -0.089 0.000 2.453 209 L HA 0.204 4.449 4.340 -0.157 0.000 0.261 209 L C -1.508 175.329 176.870 -0.055 0.000 1.179 209 L CA -1.822 52.962 54.840 -0.093 0.000 0.813 209 L CB -0.568 41.468 42.059 -0.037 0.000 1.110 209 L HN 0.094 8.286 8.230 -0.062 0.000 0.466 210 P HA -0.039 4.380 4.420 -0.001 0.000 0.266 210 P C 0.176 177.494 177.300 0.029 0.000 1.195 210 P CA -0.209 62.900 63.100 0.016 0.000 0.768 210 P CB 0.551 32.302 31.700 0.085 0.000 0.838 211 V N 2.724 122.655 119.914 0.028 0.000 2.407 211 V HA -0.365 3.765 4.120 0.016 0.000 0.248 211 V C 0.285 176.398 176.094 0.033 0.000 1.055 211 V CA 2.222 64.536 62.300 0.024 0.000 1.049 211 V CB 0.453 32.288 31.823 0.022 0.000 0.662 211 V HN 0.200 8.409 8.190 0.031 0.000 0.455 212 A N -3.115 119.733 122.820 0.045 0.000 2.275 212 A HA 0.073 4.414 4.320 0.036 0.000 0.212 212 A C 0.063 177.679 177.584 0.052 0.000 1.201 212 A CA -0.326 51.738 52.037 0.044 0.000 0.843 212 A CB -0.372 18.655 19.000 0.045 0.000 0.873 212 A HN -0.484 7.682 8.150 0.053 0.016 0.492 213 M N 1.435 121.074 119.600 0.064 0.000 2.260 213 M HA -0.161 4.370 4.480 0.085 0.000 0.348 213 M C 0.114 176.453 176.300 0.065 0.000 1.342 213 M CA 0.447 55.794 55.300 0.078 0.000 1.040 213 M CB 0.939 33.597 32.600 0.097 0.000 1.810 213 M HN -0.756 7.415 8.290 0.063 0.157 0.453 214 G N 5.061 113.899 108.800 0.063 0.000 2.491 214 G HA2 -0.041 3.947 3.960 0.047 0.000 0.238 214 G HA3 -0.041 3.944 3.960 0.042 0.000 0.238 214 G C 0.584 175.517 174.900 0.054 0.000 1.277 214 G CA -0.573 44.557 45.100 0.050 0.000 0.851 214 G HN 0.203 8.533 8.290 0.068 0.000 0.573 215 E N 3.008 123.233 120.200 0.042 0.000 2.160 215 E HA -0.404 3.974 4.350 0.047 0.000 0.195 215 E C 1.898 178.524 176.600 0.043 0.000 0.991 215 E CA 3.411 59.836 56.400 0.042 0.000 0.810 215 E CB -0.341 29.377 29.700 0.030 0.000 0.742 215 E HN 0.536 8.917 8.360 0.036 0.000 0.466 216 E N -2.880 117.342 120.200 0.036 0.000 2.150 216 E HA -0.240 4.124 4.350 0.023 0.000 0.193 216 E C 1.978 178.598 176.600 0.033 0.000 0.985 216 E CA 2.946 59.362 56.400 0.027 0.000 0.814 216 E CB -1.151 28.560 29.700 0.018 0.000 0.752 216 E HN 0.538 8.893 8.360 0.034 0.025 0.466 217 E N 0.208 120.442 120.200 0.056 0.000 2.112 217 E HA -0.151 4.224 4.350 0.041 0.000 0.190 217 E C 2.230 178.918 176.600 0.147 0.000 0.979 217 E CA 1.960 58.409 56.400 0.081 0.000 0.814 217 E CB -0.413 29.352 29.700 0.109 0.000 0.762 217 E HN -0.583 7.708 8.360 0.058 0.103 0.460 218 K N -0.594 119.894 120.400 0.147 0.000 2.057 218 K HA -0.275 4.203 4.320 0.263 0.000 0.207 218 K C 2.326 179.021 176.600 0.159 0.000 1.049 218 K CA 3.423 59.817 56.287 0.179 0.000 0.931 218 K CB -0.183 32.380 32.500 0.105 0.000 0.714 218 K HN -0.295 8.023 8.250 0.113 0.000 0.440 219 D N -1.265 119.187 120.400 0.087 0.000 2.178 219 D HA -0.212 4.465 4.640 0.062 0.000 0.201 219 D C 2.126 178.445 176.300 0.031 0.000 0.980 219 D CA 2.967 57.000 54.000 0.056 0.000 0.842 219 D CB -0.713 40.105 40.800 0.029 0.000 0.948 219 D HN -0.097 8.317 8.370 0.073 0.000 0.472 220 K N -0.762 119.634 120.400 -0.007 0.000 2.097 220 K HA -0.279 3.979 4.320 -0.103 0.000 0.206 220 K C 2.339 178.846 176.600 -0.154 0.000 1.049 220 K CA 3.092 59.306 56.287 -0.122 0.000 0.933 220 K CB -0.106 32.263 32.500 -0.218 0.000 0.717 220 K HN -0.741 7.405 8.250 0.010 0.109 0.442 221 W N -2.465 118.833 121.300 -0.004 0.000 2.407 221 W HA -0.258 4.396 4.660 -0.011 0.000 0.305 221 W C 2.665 179.176 176.519 -0.015 0.000 1.196 221 W CA 2.464 59.803 57.345 -0.011 0.000 1.311 221 W CB -0.024 29.427 29.460 -0.014 0.000 1.135 221 W HN -0.904 7.359 8.180 0.138 0.000 0.514 222 R N -1.136 119.497 120.500 0.221 0.000 2.091 222 R HA -0.474 3.941 4.340 0.125 0.000 0.238 222 R C 2.201 178.546 176.300 0.075 0.000 1.136 222 R CA 3.656 59.830 56.100 0.123 0.000 0.959 222 R CB -0.393 29.956 30.300 0.083 0.000 0.856 222 R HN -0.186 8.220 8.270 0.227 0.000 0.437 223 R N -4.667 115.860 120.500 0.044 0.000 2.193 223 R HA -0.249 4.098 4.340 0.012 0.000 0.229 223 R C 1.413 177.716 176.300 0.005 0.000 1.110 223 R CA 2.386 58.493 56.100 0.011 0.000 0.988 223 R CB -0.297 29.995 30.300 -0.013 0.000 0.871 223 R HN -0.473 7.824 8.270 0.044 0.000 0.458 224 K N -3.786 116.627 120.400 0.022 0.000 2.365 224 K HA -0.086 4.225 4.320 -0.016 0.000 0.197 224 K C -0.027 176.596 176.600 0.039 0.000 1.042 224 K CA 0.580 56.877 56.287 0.017 0.000 0.987 224 K CB 0.469 32.985 32.500 0.027 0.000 0.779 224 K HN -0.652 7.465 8.250 0.045 0.160 0.484 225 V N 2.399 122.346 119.914 0.055 0.000 2.405 225 V HA 0.085 4.234 4.120 0.048 0.000 0.264 225 V C -1.109 174.995 176.094 0.017 0.000 1.048 225 V CA -2.225 60.101 62.300 0.044 0.000 0.966 225 V CB -1.022 30.829 31.823 0.047 0.000 1.015 225 V HN -0.876 7.299 8.190 0.062 0.052 0.477 226 P HA -0.183 4.232 4.420 -0.008 0.000 0.216 226 P C -0.427 176.872 177.300 -0.002 0.000 1.153 226 P CA 2.354 65.452 63.100 -0.003 0.000 0.858 226 P CB 0.268 31.964 31.700 -0.007 0.000 0.789 227 L N -1.372 119.851 121.223 0.000 0.000 2.375 227 L HA -0.075 4.263 4.340 -0.004 0.000 0.276 227 L C 0.014 176.884 176.870 -0.000 0.000 1.162 227 L CA -0.437 54.402 54.840 -0.003 0.000 0.991 227 L CB -1.020 41.035 42.059 -0.006 0.000 1.315 227 L HN -0.614 7.597 8.230 0.002 0.020 0.431 228 G N 5.906 114.706 108.800 0.000 0.000 2.176 228 G HA2 -0.350 3.611 3.960 0.000 0.000 0.253 228 G HA3 -0.350 3.611 3.960 0.000 0.000 0.253 228 G C 0.121 175.025 174.900 0.006 0.000 0.979 228 G CA 0.003 45.104 45.100 0.001 0.000 0.641 228 G HN -0.037 8.253 8.290 -0.001 0.000 0.530 229 R N -2.322 118.184 120.500 0.010 0.000 3.333 229 R HA -0.453 4.163 4.340 0.023 -0.263 0.256 229 R C -1.844 174.470 176.300 0.024 0.000 1.010 229 R CA 0.948 57.058 56.100 0.017 0.000 0.680 229 R CB -2.948 27.358 30.300 0.011 0.000 1.102 229 R HN -0.312 7.900 8.270 0.009 0.064 0.440 230 R N -4.642 115.873 120.500 0.024 0.000 2.710 230 R HA 0.226 4.583 4.340 0.029 0.000 0.270 230 R C -2.562 173.749 176.300 0.019 0.000 1.021 230 R CA -1.575 54.538 56.100 0.022 0.000 0.889 230 R CB 2.725 33.031 30.300 0.010 0.000 1.243 230 R HN -0.372 7.911 8.270 0.022 0.000 0.464 231 E N 0.035 120.242 120.200 0.012 0.000 2.374 231 E HA -0.027 4.400 4.350 -0.012 -0.085 0.260 231 E C -0.691 175.896 176.600 -0.022 0.000 1.101 231 E CA -0.770 55.624 56.400 -0.011 0.000 0.907 231 E CB 0.678 30.363 29.700 -0.026 0.000 1.014 231 E HN -0.043 8.326 8.360 0.016 0.000 0.427 232 A N 0.636 123.434 122.820 -0.036 0.000 2.462 232 A HA 0.045 4.503 4.320 -0.027 -0.154 0.243 232 A C 0.271 177.833 177.584 -0.036 0.000 1.076 232 A CA -0.077 51.940 52.037 -0.035 0.000 0.773 232 A CB 0.850 19.824 19.000 -0.043 0.000 1.010 232 A HN -0.014 8.108 8.150 -0.046 0.000 0.493 233 S N 1.408 117.091 115.700 -0.027 0.000 2.589 233 S HA 0.026 4.480 4.470 -0.027 0.000 0.265 233 S C 1.501 176.083 174.600 -0.030 0.000 1.342 233 S CA -0.175 58.009 58.200 -0.026 0.000 1.005 233 S CB 1.322 64.511 63.200 -0.018 0.000 0.909 233 S HN -0.033 8.538 8.310 -0.023 -0.275 0.555 234 A N 1.192 123.994 122.820 -0.029 0.000 1.940 234 A HA -0.214 4.085 4.320 -0.036 0.000 0.219 234 A C 2.540 180.112 177.584 -0.021 0.000 1.176 234 A CA 3.160 55.179 52.037 -0.029 0.000 0.631 234 A CB -0.404 18.581 19.000 -0.026 0.000 0.814 234 A HN 0.702 8.835 8.150 -0.028 0.000 0.446 235 E N -2.061 118.130 120.200 -0.015 0.000 2.110 235 E HA -0.396 3.950 4.350 -0.007 0.000 0.193 235 E C 2.615 179.210 176.600 -0.009 0.000 0.988 235 E CA 3.650 60.045 56.400 -0.009 0.000 0.804 235 E CB -0.713 28.984 29.700 -0.005 0.000 0.745 235 E HN 0.470 8.804 8.360 -0.016 0.017 0.458 236 Q N -0.873 118.919 119.800 -0.014 0.000 2.119 236 Q HA -0.285 4.049 4.340 -0.011 0.000 0.201 236 Q C 2.450 178.441 176.000 -0.015 0.000 0.972 236 Q CA 2.773 58.567 55.803 -0.015 0.000 0.847 236 Q CB 0.173 28.899 28.738 -0.019 0.000 0.903 236 Q HN -0.585 7.676 8.270 -0.016 0.000 0.433 237 I N -0.950 119.607 120.570 -0.021 0.000 2.179 237 I HA -0.398 3.759 4.170 -0.021 0.000 0.242 237 I C 1.856 177.965 176.117 -0.012 0.000 1.088 237 I CA 1.580 62.866 61.300 -0.022 0.000 1.357 237 I CB -1.243 36.736 38.000 -0.035 0.000 1.051 237 I HN -0.727 7.468 8.210 -0.025 0.000 0.409 238 A N -0.597 122.216 122.820 -0.012 0.000 1.972 238 A HA -0.380 3.932 4.320 -0.014 0.000 0.219 238 A C 1.877 179.466 177.584 0.008 0.000 1.169 238 A CA 3.342 55.374 52.037 -0.008 0.000 0.635 238 A CB -0.880 18.115 19.000 -0.008 0.000 0.810 238 A HN 0.000 8.142 8.150 -0.014 0.000 0.446 239 D N -1.264 119.144 120.400 0.014 0.000 2.149 239 D HA -0.385 4.278 4.640 0.038 0.000 0.198 239 D C 1.948 178.287 176.300 0.064 0.000 0.990 239 D CA 3.555 57.574 54.000 0.031 0.000 0.839 239 D CB -0.525 40.284 40.800 0.015 0.000 0.948 239 D HN -0.221 8.131 8.370 0.006 0.021 0.460 240 A N -0.884 121.968 122.820 0.053 0.000 1.968 240 A HA -0.120 4.286 4.320 0.144 0.000 0.217 240 A C 2.100 179.753 177.584 0.114 0.000 1.169 240 A CA 2.842 54.939 52.037 0.100 0.000 0.638 240 A CB -0.525 18.509 19.000 0.056 0.000 0.812 240 A HN -0.664 7.486 8.150 0.029 0.017 0.446 241 V N 0.088 120.028 119.914 0.043 0.000 2.343 241 V HA -0.425 3.692 4.120 -0.006 0.000 0.247 241 V C 2.000 178.093 176.094 -0.001 0.000 1.051 241 V CA 3.882 66.182 62.300 0.001 0.000 1.036 241 V CB -0.779 31.022 31.823 -0.037 0.000 0.654 241 V HN -0.773 7.433 8.190 0.027 0.000 0.451 242 I N -0.537 120.049 120.570 0.025 0.000 2.208 242 I HA -0.484 3.682 4.170 -0.008 0.000 0.245 242 I C 2.218 178.385 176.117 0.083 0.000 1.097 242 I CA 2.526 63.849 61.300 0.037 0.000 1.363 242 I CB -1.284 36.750 38.000 0.057 0.000 1.051 242 I HN -0.245 7.984 8.210 0.031 0.000 0.413 243 F N 1.093 121.042 119.950 -0.003 0.000 2.069 243 F HA -0.371 4.164 4.527 0.013 0.000 0.298 243 F C 2.383 178.187 175.800 0.007 0.000 1.113 243 F CA 3.374 61.377 58.000 0.005 0.000 1.214 243 F CB -0.106 38.895 39.000 0.002 0.000 0.978 243 F HN -0.624 7.827 8.300 0.251 0.000 0.474 244 L N -3.854 117.240 121.223 -0.215 0.000 2.131 244 L HA -0.261 3.743 4.340 -0.561 0.000 0.210 244 L C 1.076 177.800 176.870 -0.244 0.000 1.092 244 L CA 2.265 56.915 54.840 -0.317 0.000 0.759 244 L CB 0.112 42.107 42.059 -0.106 0.000 0.903 244 L HN -0.578 7.667 8.230 0.025 0.000 0.435 245 V N -10.382 109.444 119.914 -0.147 0.000 3.541 245 V HA 0.085 4.156 4.120 -0.081 0.000 0.267 245 V C -0.161 175.912 176.094 -0.035 0.000 1.213 245 V CA -0.271 61.980 62.300 -0.080 0.000 1.149 245 V CB -0.131 31.644 31.823 -0.079 0.000 0.822 245 V HN -0.636 7.462 8.190 -0.118 0.021 0.462 246 S N 0.411 116.055 115.700 -0.094 0.000 2.645 246 S HA 0.056 4.541 4.470 0.025 0.000 0.266 246 S C 1.631 176.188 174.600 -0.073 0.000 1.258 246 S CA -0.342 57.834 58.200 -0.042 0.000 0.990 246 S CB 1.611 64.798 63.200 -0.021 0.000 0.967 246 S HN -0.636 7.393 8.310 -0.169 0.179 0.556 247 G N -0.584 108.204 108.800 -0.020 0.000 2.498 247 G HA2 -0.108 3.853 3.960 0.002 0.000 0.219 247 G HA3 -0.108 3.955 3.960 -0.014 -0.111 0.219 247 G C 1.159 176.050 174.900 -0.017 0.000 1.119 247 G CA 1.781 46.873 45.100 -0.013 0.000 0.766 247 G HN 0.344 8.636 8.290 0.002 0.000 0.552 248 S N 0.382 116.069 115.700 -0.022 0.000 2.603 248 S HA -0.067 4.441 4.470 0.063 0.000 0.220 248 S C -0.382 174.176 174.600 -0.070 0.000 0.967 248 S CA 0.891 59.112 58.200 0.037 0.000 0.920 248 S CB -0.616 62.704 63.200 0.199 0.000 0.773 248 S HN -0.527 7.715 8.310 -0.027 0.052 0.529 249 A N -0.009 122.653 122.820 -0.264 0.000 2.606 249 A HA 0.381 4.549 4.320 -0.253 0.000 0.290 249 A C 0.246 177.755 177.584 -0.125 0.000 1.174 249 A CA -0.177 51.650 52.037 -0.349 0.000 0.958 249 A CB 0.356 18.894 19.000 -0.770 0.000 1.194 249 A HN -0.445 7.488 8.150 -0.225 0.082 0.526 250 Q N -1.253 118.528 119.800 -0.031 0.000 2.437 250 Q HA -0.298 4.035 4.340 -0.012 0.000 0.210 250 Q C 0.366 176.420 176.000 0.090 0.000 0.972 250 Q CA 1.906 57.721 55.803 0.021 0.000 0.903 250 Q CB -0.027 28.732 28.738 0.035 0.000 0.967 250 Q HN -0.036 8.221 8.270 -0.022 0.000 0.486 251 Y N -3.194 117.092 120.300 -0.024 0.000 2.467 251 Y HA 0.045 4.593 4.550 -0.004 0.000 0.250 251 Y C -0.951 174.945 175.900 -0.006 0.000 1.155 251 Y CA -0.581 57.516 58.100 -0.006 0.000 1.249 251 Y CB 0.706 39.171 38.460 0.007 0.000 1.146 251 Y HN -0.593 7.750 8.280 0.184 0.048 0.524 252 I N 1.524 122.106 120.570 0.019 0.000 2.312 252 I HA 0.006 4.180 4.170 0.007 0.000 0.291 252 I C -1.354 174.721 176.117 -0.069 0.000 1.031 252 I CA 0.211 61.504 61.300 -0.013 0.000 1.293 252 I CB 0.014 38.014 38.000 0.001 0.000 1.403 252 I HN -0.537 7.511 8.210 0.020 0.174 0.484 253 T N 7.069 121.573 114.554 -0.082 0.000 2.956 253 T HA 0.074 4.535 4.350 -0.061 -0.148 0.312 253 T C 0.166 174.834 174.700 -0.053 0.000 1.151 253 T CA -0.768 61.288 62.100 -0.073 0.000 1.024 253 T CB 2.027 70.842 68.868 -0.089 0.000 1.140 253 T HN -0.256 7.931 8.240 -0.088 0.000 0.473 254 G N 6.613 115.390 108.800 -0.038 0.000 2.155 254 G HA2 -0.490 3.455 3.960 -0.025 0.000 0.257 254 G HA3 -0.490 3.498 3.960 -0.024 -0.042 0.257 254 G C -1.208 173.683 174.900 -0.015 0.000 0.983 254 G CA 0.573 45.657 45.100 -0.025 0.000 0.676 254 G HN 0.490 8.778 8.290 -0.040 -0.023 0.528 255 S N 0.610 116.304 115.700 -0.010 0.000 2.525 255 S HA 0.296 4.770 4.470 0.007 0.000 0.290 255 S C -1.035 173.567 174.600 0.003 0.000 1.152 255 S CA -0.045 58.159 58.200 0.007 0.000 1.072 255 S CB 1.733 64.951 63.200 0.031 0.000 1.027 255 S HN -0.392 8.157 8.310 -0.016 -0.249 0.500 256 I N 4.057 124.629 120.570 0.003 0.000 2.382 256 I HA 0.291 4.650 4.170 -0.007 -0.193 0.285 256 I C -0.385 175.735 176.117 0.006 0.000 1.007 256 I CA -0.849 60.448 61.300 -0.005 0.000 1.142 256 I CB 1.193 39.178 38.000 -0.024 0.000 1.289 256 I HN 0.408 8.621 8.210 0.005 0.000 0.453 257 I N 9.212 129.792 120.570 0.017 0.000 2.322 257 I HA 0.066 4.250 4.170 0.022 0.000 0.292 257 I C -0.732 175.386 176.117 0.002 0.000 1.060 257 I CA -0.709 60.605 61.300 0.023 0.000 1.309 257 I CB 0.174 38.208 38.000 0.056 0.000 1.415 257 I HN 0.506 8.728 8.210 0.019 0.000 0.492 258 K N 8.366 128.762 120.400 -0.007 0.000 2.401 258 K HA -0.037 4.442 4.320 -0.022 -0.172 0.278 258 K C -0.405 176.184 176.600 -0.018 0.000 1.018 258 K CA 0.655 56.932 56.287 -0.016 0.000 0.981 258 K CB 0.491 32.982 32.500 -0.015 0.000 0.933 258 K HN 0.458 8.706 8.250 -0.004 0.000 0.477 259 V N 7.138 127.038 119.914 -0.024 0.000 2.320 259 V HA 0.188 4.293 4.120 -0.025 0.000 0.257 259 V C -1.215 174.860 176.094 -0.032 0.000 0.996 259 V CA -1.292 60.992 62.300 -0.027 0.000 0.928 259 V CB -0.861 30.947 31.823 -0.025 0.000 1.169 259 V HN 0.275 8.448 8.190 -0.029 0.000 0.475 260 D N 2.090 122.475 120.400 -0.026 0.000 2.539 260 D HA 0.071 4.691 4.640 -0.034 0.000 0.232 260 D C 0.880 177.172 176.300 -0.013 0.000 1.256 260 D CA -0.775 53.210 54.000 -0.025 0.000 0.810 260 D CB 0.946 41.733 40.800 -0.022 0.000 1.090 260 D HN 0.070 8.427 8.370 -0.022 0.000 0.519 261 G N -0.171 108.621 108.800 -0.013 0.000 2.187 261 G HA2 -0.405 3.553 3.960 -0.004 0.000 0.261 261 G HA3 -0.405 3.550 3.960 -0.010 0.000 0.261 261 G C 0.214 175.113 174.900 -0.001 0.000 1.000 261 G CA 0.479 45.575 45.100 -0.007 0.000 0.718 261 G HN 0.183 8.463 8.290 -0.017 0.000 0.519 262 G N -3.272 105.527 108.800 -0.001 0.000 2.176 262 G HA2 -0.454 3.507 3.960 0.001 0.000 0.253 262 G HA3 -0.454 3.507 3.960 0.002 0.000 0.253 262 G C 0.971 175.878 174.900 0.012 0.000 0.979 262 G CA 0.351 45.453 45.100 0.003 0.000 0.641 262 G HN -0.138 8.344 8.290 -0.004 -0.195 0.530 263 L N 1.276 122.511 121.223 0.020 0.000 2.079 263 L HA -0.248 4.120 4.340 0.046 0.000 0.210 263 L C 1.253 178.152 176.870 0.048 0.000 1.081 263 L CA 2.843 57.710 54.840 0.045 0.000 0.752 263 L CB -0.045 42.052 42.059 0.064 0.000 0.896 263 L HN -0.280 7.805 8.230 0.015 0.154 0.433 264 S N -2.735 112.986 115.700 0.035 0.000 2.507 264 S HA -0.166 4.335 4.470 0.052 0.000 0.235 264 S C 1.168 175.791 174.600 0.038 0.000 0.988 264 S CA 2.029 60.252 58.200 0.038 0.000 0.944 264 S CB -0.307 62.906 63.200 0.022 0.000 0.762 264 S HN -0.415 8.178 8.310 0.024 -0.269 0.526 265 L N -1.030 120.210 121.223 0.028 0.000 2.558 265 L HA 0.101 4.462 4.340 0.036 0.000 0.225 265 L C 0.068 176.953 176.870 0.025 0.000 1.128 265 L CA -0.157 54.700 54.840 0.028 0.000 0.868 265 L CB 0.347 42.416 42.059 0.018 0.000 1.006 265 L HN -0.606 7.468 8.230 0.023 0.169 0.454 266 V N 0.565 120.485 119.914 0.010 0.000 2.432 266 V HA -0.113 3.950 4.120 -0.096 0.000 0.271 266 V C -0.118 175.965 176.094 -0.018 0.000 1.046 266 V CA -0.496 61.773 62.300 -0.052 0.000 0.945 266 V CB -0.340 31.448 31.823 -0.059 0.000 0.992 266 V HN -0.795 7.342 8.190 0.022 0.065 0.471 267 H N 6.974 126.056 119.070 0.021 0.000 2.671 267 H HA -0.050 4.520 4.556 0.023 0.000 0.372 267 H C -0.213 175.122 175.328 0.012 0.000 1.227 267 H CA -0.840 55.219 56.048 0.018 0.000 1.426 267 H CB -0.081 29.689 29.762 0.014 0.000 1.480 267 H HN -0.005 8.181 8.280 -0.156 0.000 0.611 268 A N 0.000 122.965 122.820 0.242 0.000 2.254 268 A HA 0.000 4.370 4.320 0.083 0.000 0.244 268 A CA 0.000 52.130 52.037 0.154 0.000 0.836 268 A CB 0.000 19.060 19.000 0.099 0.000 0.831 268 A HN 0.000 8.287 8.150 0.228 0.000 0.486