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 1duj_1_A DATA FIRST_RESID 11 DATA SEQUENCE GSITLRGSAE IVAEFFSFGI NSILYQRGIY PSETFTRVQK YGLTLLVTTD DATA SEQUENCE LELIKYLNNV VEQLKDWLYK CSVQKLVVVI SNIESGEVLE RWQFDIECDK DATA SEQUENCE TAKDDSAPRE KSQKAIQDEI RSVIRQITAT VTFLPLLEVS CSFDLLIYTD DATA SEQUENCE KDLVVPEKWE ESGPQFITNS EEVRLRSFTT TIHKVNS 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.681 3.960 -0.466 0.000 0.244 11 G C 0.000 174.739 174.900 -0.269 0.000 0.946 11 G CA 0.000 44.916 45.100 -0.306 0.000 0.502 12 S N 5.198 120.779 115.700 -0.199 0.000 2.429 12 S HA 0.854 5.476 4.470 -0.122 -0.225 0.302 12 S C -0.680 173.851 174.600 -0.114 0.000 1.115 12 S CA -1.049 57.069 58.200 -0.137 0.000 1.095 12 S CB 1.589 64.721 63.200 -0.113 0.000 0.987 12 S HN 0.161 8.360 8.310 -0.184 0.000 0.474 13 I N 3.858 124.402 120.570 -0.042 0.000 3.239 13 I HA 0.409 4.553 4.170 -0.043 0.000 0.314 13 I C -1.940 174.238 176.117 0.102 0.000 1.126 13 I CA -1.647 59.652 61.300 -0.002 0.000 0.973 13 I CB 4.027 42.002 38.000 -0.042 0.000 1.252 13 I HN 0.987 9.092 8.210 0.017 0.115 0.463 14 T N 4.622 119.243 114.554 0.112 0.000 2.892 14 T HA 0.397 5.004 4.350 0.188 -0.145 0.311 14 T C -0.595 174.255 174.700 0.249 0.000 1.033 14 T CA 0.162 62.364 62.100 0.171 0.000 0.991 14 T CB 0.176 69.117 68.868 0.122 0.000 0.981 14 T HN 0.187 8.471 8.240 0.073 0.000 0.457 15 L N 9.616 131.043 121.223 0.340 0.000 2.422 15 L HA 0.185 4.790 4.340 0.442 0.000 0.256 15 L C -0.881 176.360 176.870 0.618 0.000 1.202 15 L CA -0.742 54.402 54.840 0.506 0.000 1.119 15 L CB -1.170 41.160 42.059 0.451 0.000 1.383 15 L HN 1.276 9.620 8.230 0.363 0.105 0.411 16 R N 0.605 121.425 120.500 0.533 0.000 2.893 16 R HA 0.648 5.164 4.340 0.217 -0.046 0.223 16 R C -0.405 175.882 176.300 -0.022 0.000 1.433 16 R CA -1.775 54.470 56.100 0.241 0.000 1.063 16 R CB 2.339 32.743 30.300 0.173 0.000 1.758 16 R HN -0.433 8.324 8.270 0.578 -0.141 0.524 17 G N -1.435 107.322 108.800 -0.071 0.000 1.745 17 G HA2 -0.117 3.746 3.960 -0.162 0.000 0.063 17 G HA3 -0.117 3.590 3.960 -0.423 0.000 0.063 17 G C -2.404 172.439 174.900 -0.094 0.000 1.838 17 G CA 0.186 45.165 45.100 -0.201 0.000 1.210 17 G HN 0.157 8.450 8.290 0.006 0.000 0.375 18 S N 0.472 116.123 115.700 -0.082 0.000 2.615 18 S HA 0.317 4.786 4.470 -0.001 0.000 0.269 18 S C -0.666 173.947 174.600 0.021 0.000 1.161 18 S CA -1.290 56.898 58.200 -0.020 0.000 0.817 18 S CB 3.282 66.460 63.200 -0.036 0.000 1.131 18 S HN -0.431 7.886 8.310 -0.122 -0.079 0.467 19 A N 3.639 126.485 122.820 0.043 0.000 1.896 19 A HA -0.460 3.927 4.320 0.110 0.000 0.220 19 A C 1.557 179.179 177.584 0.065 0.000 1.206 19 A CA 4.223 56.304 52.037 0.073 0.000 0.647 19 A CB -0.264 18.771 19.000 0.059 0.000 0.828 19 A HN 0.809 8.980 8.150 0.036 0.000 0.455 20 E N -1.806 118.415 120.200 0.036 0.000 2.028 20 E HA -0.312 4.065 4.350 0.046 0.000 0.190 20 E C 2.367 179.000 176.600 0.054 0.000 0.984 20 E CA 3.209 59.632 56.400 0.037 0.000 0.800 20 E CB -0.604 29.102 29.700 0.009 0.000 0.758 20 E HN -0.124 8.249 8.360 0.021 0.000 0.448 21 I N -0.892 119.680 120.570 0.004 0.000 2.264 21 I HA -0.388 3.794 4.170 0.021 0.000 0.248 21 I C 2.024 178.164 176.117 0.039 0.000 1.111 21 I CA 3.032 64.311 61.300 -0.035 0.000 1.382 21 I CB -0.724 37.160 38.000 -0.193 0.000 1.060 21 I HN -0.147 8.050 8.210 -0.021 0.000 0.418 22 V N 0.764 120.717 119.914 0.065 0.000 2.261 22 V HA -0.581 3.695 4.120 0.261 0.000 0.246 22 V C 1.457 177.746 176.094 0.326 0.000 1.047 22 V CA 4.835 67.261 62.300 0.211 0.000 1.015 22 V CB -0.436 31.491 31.823 0.172 0.000 0.642 22 V HN 0.839 8.905 8.190 0.034 0.145 0.446 23 A N -0.615 122.347 122.820 0.237 0.000 1.892 23 A HA -0.485 3.969 4.320 0.224 0.000 0.218 23 A C 1.962 179.745 177.584 0.331 0.000 1.188 23 A CA 3.465 55.644 52.037 0.237 0.000 0.631 23 A CB -0.889 18.193 19.000 0.136 0.000 0.822 23 A HN -0.415 7.838 8.150 0.173 0.000 0.447 24 E N -1.393 119.008 120.200 0.334 0.000 2.047 24 E HA -0.334 4.200 4.350 0.305 0.000 0.191 24 E C 2.420 179.370 176.600 0.583 0.000 0.987 24 E CA 2.765 59.422 56.400 0.428 0.000 0.799 24 E CB -0.061 29.932 29.700 0.489 0.000 0.752 24 E HN -0.512 8.014 8.360 0.274 -0.002 0.449 25 F N 0.629 120.801 119.950 0.370 0.000 2.087 25 F HA -0.390 4.230 4.527 0.154 0.000 0.299 25 F C 2.096 178.022 175.800 0.211 0.000 1.100 25 F CA 2.527 60.680 58.000 0.256 0.000 1.226 25 F CB -0.369 38.789 39.000 0.263 0.000 0.983 25 F HN 0.518 9.117 8.300 0.699 0.119 0.479 26 F N -0.478 119.659 119.950 0.311 0.000 2.084 26 F HA -0.488 4.088 4.527 0.082 0.000 0.296 26 F C 1.591 177.445 175.800 0.090 0.000 1.111 26 F CA 3.704 61.807 58.000 0.172 0.000 1.224 26 F CB 0.480 39.640 39.000 0.266 0.000 0.991 26 F HN 0.255 8.966 8.300 0.685 0.000 0.471 27 S N 0.667 116.550 115.700 0.304 0.000 2.359 27 S HA -0.464 3.977 4.470 -0.049 0.000 0.223 27 S C 2.313 176.856 174.600 -0.096 0.000 1.039 27 S CA 4.084 62.315 58.200 0.052 0.000 1.042 27 S CB -0.173 63.114 63.200 0.146 0.000 0.915 27 S HN -0.411 8.267 8.310 0.614 0.000 0.439 28 F N 2.664 122.560 119.950 -0.089 0.000 2.134 28 F HA -0.200 4.240 4.527 -0.145 0.000 0.299 28 F C 2.557 178.170 175.800 -0.311 0.000 1.097 28 F CA 2.495 60.385 58.000 -0.184 0.000 1.264 28 F CB -0.351 38.518 39.000 -0.218 0.000 1.001 28 F HN 0.508 8.931 8.300 0.204 0.000 0.479 29 G N -0.835 107.870 108.800 -0.158 0.000 2.418 29 G HA2 -0.349 3.401 3.960 -0.350 0.000 0.217 29 G HA3 -0.349 3.356 3.960 -0.425 0.000 0.217 29 G C 1.428 176.010 174.900 -0.531 0.000 1.158 29 G CA 2.156 47.028 45.100 -0.380 0.000 0.771 29 G HN 0.068 8.296 8.290 -0.104 0.000 0.545 30 I N 2.138 122.342 120.570 -0.610 0.000 2.202 30 I HA -0.440 3.392 4.170 -0.563 0.000 0.242 30 I C 1.687 177.631 176.117 -0.288 0.000 1.091 30 I CA 2.962 63.926 61.300 -0.560 0.000 1.368 30 I CB -0.983 36.510 38.000 -0.845 0.000 1.058 30 I HN 0.722 8.420 8.210 -0.642 0.126 0.410 31 N N -0.181 118.392 118.700 -0.211 0.000 2.272 31 N HA -0.341 4.354 4.740 -0.074 0.000 0.185 31 N C 2.499 177.959 175.510 -0.083 0.000 1.014 31 N CA 3.615 56.604 53.050 -0.103 0.000 0.870 31 N CB -0.106 38.328 38.487 -0.089 0.000 0.975 31 N HN 0.470 8.589 8.380 -0.235 0.121 0.433 32 S N 1.145 116.760 115.700 -0.142 0.000 2.348 32 S HA -0.294 4.254 4.470 0.021 -0.065 0.221 32 S C 1.860 176.264 174.600 -0.326 0.000 1.033 32 S CA 3.471 61.568 58.200 -0.172 0.000 1.010 32 S CB -0.084 62.948 63.200 -0.279 0.000 0.891 32 S HN -0.213 7.868 8.310 -0.179 0.122 0.442 33 I N 1.874 122.145 120.570 -0.498 0.000 2.194 33 I HA -0.440 3.326 4.170 -0.673 0.000 0.246 33 I C 1.784 177.799 176.117 -0.169 0.000 1.093 33 I CA 3.877 64.874 61.300 -0.505 0.000 1.355 33 I CB -0.470 37.204 38.000 -0.542 0.000 1.046 33 I HN -0.521 7.349 8.210 -0.568 0.000 0.413 34 L N -0.808 120.371 121.223 -0.073 0.000 2.027 34 L HA -0.405 3.941 4.340 0.009 0.000 0.206 34 L C 2.026 178.955 176.870 0.098 0.000 1.074 34 L CA 3.245 58.095 54.840 0.016 0.000 0.745 34 L CB -1.204 40.871 42.059 0.027 0.000 0.898 34 L HN -0.577 7.514 8.230 -0.100 0.079 0.433 35 Y N -0.742 119.484 120.300 -0.123 0.000 2.114 35 Y HA -0.415 4.067 4.550 -0.114 0.000 0.284 35 Y C 2.455 178.280 175.900 -0.125 0.000 1.143 35 Y CA 2.247 60.165 58.100 -0.302 0.000 1.135 35 Y CB -0.276 37.765 38.460 -0.698 0.000 0.980 35 Y HN 0.131 8.264 8.280 0.045 0.174 0.499 36 Q N -2.047 117.354 119.800 -0.665 0.000 2.016 36 Q HA -0.233 3.583 4.340 -0.874 0.000 0.200 36 Q C 1.943 177.826 176.000 -0.195 0.000 0.978 36 Q CA 2.794 58.227 55.803 -0.616 0.000 0.833 36 Q CB 0.249 28.679 28.738 -0.514 0.000 0.895 36 Q HN 0.374 8.213 8.270 -0.523 0.117 0.427 37 R N -4.242 116.200 120.500 -0.097 0.000 2.048 37 R HA -0.017 4.350 4.340 0.044 0.000 0.224 37 R C 1.288 177.648 176.300 0.100 0.000 1.163 37 R CA -0.537 55.584 56.100 0.036 0.000 0.956 37 R CB 0.798 31.147 30.300 0.083 0.000 0.849 37 R HN -0.026 8.037 8.270 -0.150 0.116 0.435 38 G N 0.966 109.836 108.800 0.118 0.000 2.222 38 G HA2 -0.232 3.759 3.960 0.140 0.000 0.234 38 G HA3 -0.232 3.862 3.960 0.203 -0.012 0.234 38 G C -0.120 174.900 174.900 0.200 0.000 0.698 38 G CA 0.458 45.657 45.100 0.165 0.000 1.094 38 G HN -0.441 7.846 8.290 0.083 0.053 0.316 39 I N -1.370 119.357 120.570 0.260 0.000 3.176 39 I HA -0.239 4.202 4.170 0.190 -0.157 0.275 39 I C -1.325 175.024 176.117 0.387 0.000 1.298 39 I CA 0.685 62.142 61.300 0.262 0.000 1.445 39 I CB 0.097 38.221 38.000 0.207 0.000 1.075 39 I HN -0.171 8.187 8.210 0.246 0.000 0.482 40 Y N -7.817 112.525 120.300 0.070 0.000 3.131 40 Y HA 0.254 4.832 4.550 0.046 0.000 0.219 40 Y C -3.194 172.732 175.900 0.043 0.000 0.822 40 Y CA -3.487 54.648 58.100 0.059 0.000 1.134 40 Y CB -2.573 35.936 38.460 0.081 0.000 1.168 40 Y HN -0.589 7.867 8.280 0.430 0.082 0.560 41 P HA 0.253 4.420 4.420 -0.421 0.000 0.338 41 P C -0.741 176.394 177.300 -0.275 0.000 1.308 41 P CA -0.522 62.415 63.100 -0.271 0.000 0.753 41 P CB 1.372 33.034 31.700 -0.063 0.000 1.579 42 S N -2.665 112.823 115.700 -0.354 0.000 2.596 42 S HA 0.164 4.491 4.470 -0.239 0.000 0.270 42 S C -0.716 173.605 174.600 -0.466 0.000 1.155 42 S CA -0.524 57.486 58.200 -0.317 0.000 0.827 42 S CB 2.613 65.669 63.200 -0.239 0.000 1.130 42 S HN -0.063 7.987 8.310 -0.434 0.000 0.467 43 E N 3.594 123.597 120.200 -0.329 0.000 2.860 43 E HA -0.095 3.988 4.350 -0.446 0.000 0.318 43 E C -0.482 175.952 176.600 -0.276 0.000 1.481 43 E CA 0.577 56.780 56.400 -0.327 0.000 1.613 43 E CB -0.916 28.678 29.700 -0.177 0.000 1.279 43 E HN 0.317 8.539 8.360 -0.231 0.000 0.489 44 T N -2.409 111.933 114.554 -0.353 0.000 3.170 44 T HA 0.107 4.384 4.350 -0.122 0.000 0.288 44 T C 0.213 174.874 174.700 -0.065 0.000 0.992 44 T CA -0.882 61.114 62.100 -0.174 0.000 0.909 44 T CB 0.846 69.624 68.868 -0.150 0.000 1.133 44 T HN 0.209 8.023 8.240 -0.561 0.090 0.530 45 F N 4.420 124.308 119.950 -0.103 0.000 2.705 45 F HA 0.045 4.683 4.527 -0.151 -0.201 0.311 45 F C 0.436 176.159 175.800 -0.130 0.000 1.227 45 F CA 1.181 59.091 58.000 -0.150 0.000 1.356 45 F CB 0.232 39.093 39.000 -0.230 0.000 1.124 45 F HN -0.596 7.425 8.300 -0.465 0.000 0.605 46 T N 0.636 115.235 114.554 0.076 0.000 3.105 46 T HA 0.116 4.477 4.350 0.018 0.000 0.321 46 T C -1.697 172.986 174.700 -0.028 0.000 1.135 46 T CA -1.343 60.763 62.100 0.010 0.000 1.053 46 T CB 1.998 70.867 68.868 0.001 0.000 1.133 46 T HN 0.411 8.654 8.240 0.005 0.000 0.463 47 R N 7.910 128.401 120.500 -0.014 0.000 2.234 47 R HA 0.352 4.814 4.340 -0.043 -0.148 0.324 47 R C -0.880 175.443 176.300 0.038 0.000 1.054 47 R CA -0.522 55.572 56.100 -0.011 0.000 0.912 47 R CB 0.392 30.686 30.300 -0.008 0.000 1.030 47 R HN 0.196 8.464 8.270 -0.002 0.000 0.455 48 V N 3.540 123.509 119.914 0.091 0.000 2.588 48 V HA 0.400 4.584 4.120 0.106 0.000 0.304 48 V C -1.714 174.480 176.094 0.165 0.000 1.042 48 V CA -1.853 60.541 62.300 0.158 0.000 0.877 48 V CB 3.082 35.066 31.823 0.270 0.000 0.996 48 V HN 1.132 9.255 8.190 0.090 0.120 0.425 49 Q N 6.351 126.228 119.800 0.127 0.000 2.360 49 Q HA 0.230 4.765 4.340 0.077 -0.149 0.254 49 Q C -0.843 175.244 176.000 0.146 0.000 0.975 49 Q CA -0.079 55.785 55.803 0.102 0.000 0.912 49 Q CB 1.085 29.860 28.738 0.063 0.000 1.212 49 Q HN 0.347 8.681 8.270 0.107 0.000 0.452 50 K N 2.894 123.408 120.400 0.190 0.000 2.428 50 K HA 0.268 4.658 4.320 0.117 0.000 0.279 50 K C -1.206 175.579 176.600 0.307 0.000 1.041 50 K CA -1.732 54.699 56.287 0.240 0.000 0.887 50 K CB 3.644 36.427 32.500 0.472 0.000 1.535 50 K HN 0.501 8.838 8.250 0.146 0.000 0.417 51 Y N -3.889 116.451 120.300 0.067 0.000 4.144 51 Y HA -0.414 4.193 4.550 0.094 0.000 0.216 51 Y C 0.182 176.101 175.900 0.031 0.000 1.115 51 Y CA 1.879 60.017 58.100 0.064 0.000 1.729 51 Y CB -2.188 36.300 38.460 0.048 0.000 1.553 51 Y HN 0.572 8.660 8.280 -0.320 0.000 0.633 52 G N -5.785 103.081 108.800 0.111 0.000 2.176 52 G HA2 -0.286 3.701 3.960 0.046 0.000 0.253 52 G HA3 -0.286 3.987 3.960 0.071 -0.270 0.253 52 G C -1.285 173.651 174.900 0.061 0.000 0.979 52 G CA 0.344 45.486 45.100 0.070 0.000 0.641 52 G HN -0.265 8.013 8.290 0.080 0.060 0.530 53 L N -6.539 114.726 121.223 0.070 0.000 2.309 53 L HA 0.725 5.079 4.340 0.024 0.000 0.240 53 L C -1.669 175.209 176.870 0.013 0.000 1.136 53 L CA -2.311 52.545 54.840 0.027 0.000 0.985 53 L CB 1.510 43.570 42.059 0.002 0.000 1.572 53 L HN 0.277 8.385 8.230 0.114 0.191 0.426 54 T N -0.374 114.171 114.554 -0.015 0.000 2.922 54 T HA 0.107 4.553 4.350 0.011 -0.089 0.285 54 T C -0.724 173.922 174.700 -0.090 0.000 1.005 54 T CA 0.345 62.433 62.100 -0.021 0.000 1.061 54 T CB 0.558 69.419 68.868 -0.011 0.000 1.007 54 T HN -0.204 8.026 8.240 -0.018 0.000 0.502 55 L N 0.249 121.424 121.223 -0.079 0.000 2.415 55 L HA 0.423 4.617 4.340 -0.244 0.000 0.256 55 L C -2.270 174.584 176.870 -0.026 0.000 1.010 55 L CA -1.581 53.147 54.840 -0.186 0.000 0.826 55 L CB 4.189 45.882 42.059 -0.610 0.000 1.405 55 L HN 0.730 8.854 8.230 0.001 0.106 0.410 56 L N 0.448 121.627 121.223 -0.072 0.000 2.342 56 L HA 0.911 5.296 4.340 -0.241 -0.190 0.271 56 L C -1.070 175.675 176.870 -0.208 0.000 1.008 56 L CA -1.519 53.134 54.840 -0.310 0.000 0.818 56 L CB 3.058 44.557 42.059 -0.933 0.000 1.296 56 L HN 0.278 8.464 8.230 -0.074 0.000 0.427 57 V N -0.836 118.912 119.914 -0.277 0.000 3.216 57 V HA 0.247 4.285 4.120 -0.137 0.000 0.302 57 V C -2.023 174.037 176.094 -0.057 0.000 1.286 57 V CA -1.816 60.392 62.300 -0.154 0.000 1.048 57 V CB 4.686 36.449 31.823 -0.099 0.000 1.081 57 V HN 0.062 8.073 8.190 -0.298 0.000 0.442 58 T N 3.120 117.712 114.554 0.063 0.000 2.895 58 T HA 0.373 5.024 4.350 0.501 0.000 0.283 58 T C -0.007 174.726 174.700 0.055 0.000 1.014 58 T CA -0.548 61.703 62.100 0.253 0.000 1.037 58 T CB 1.248 70.300 68.868 0.307 0.000 1.006 58 T HN 0.395 8.986 8.240 -0.000 -0.351 0.468 59 T N -2.567 111.999 114.554 0.021 0.000 3.176 59 T HA 0.019 4.341 4.350 -0.046 0.000 0.263 59 T C -0.171 174.486 174.700 -0.071 0.000 1.021 59 T CA -1.037 61.040 62.100 -0.038 0.000 0.905 59 T CB 1.447 70.292 68.868 -0.038 0.000 1.057 59 T HN 0.042 8.303 8.240 0.036 0.000 0.558 60 D N 2.287 122.635 120.400 -0.086 0.000 2.433 60 D HA -0.171 4.385 4.640 -0.139 0.000 0.274 60 D C 0.501 176.725 176.300 -0.126 0.000 1.344 60 D CA 0.926 54.846 54.000 -0.133 0.000 0.989 60 D CB -0.007 40.683 40.800 -0.182 0.000 1.116 60 D HN -0.324 7.933 8.370 -0.058 0.078 0.533 61 L N 7.373 128.527 121.223 -0.114 0.000 2.083 61 L HA -0.428 3.853 4.340 -0.098 0.000 0.209 61 L C 1.339 178.127 176.870 -0.136 0.000 1.083 61 L CA 3.880 58.656 54.840 -0.108 0.000 0.752 61 L CB -0.256 41.750 42.059 -0.089 0.000 0.899 61 L HN 0.206 8.372 8.230 -0.106 0.000 0.433 62 E N -0.522 119.578 120.200 -0.166 0.000 2.005 62 E HA -0.340 3.859 4.350 -0.251 0.000 0.198 62 E C 2.650 179.090 176.600 -0.268 0.000 1.010 62 E CA 3.458 59.710 56.400 -0.247 0.000 0.825 62 E CB -0.469 29.076 29.700 -0.258 0.000 0.769 62 E HN -0.073 8.207 8.360 -0.152 -0.012 0.456 63 L N 0.123 121.204 121.223 -0.238 0.000 2.083 63 L HA -0.303 3.865 4.340 -0.287 0.000 0.209 63 L C 2.014 178.809 176.870 -0.124 0.000 1.083 63 L CA 3.209 57.930 54.840 -0.198 0.000 0.752 63 L CB -0.033 41.923 42.059 -0.172 0.000 0.899 63 L HN 0.535 9.157 8.230 -0.224 -0.527 0.433 64 I N -0.651 119.833 120.570 -0.142 0.000 2.179 64 I HA -0.703 3.367 4.170 -0.165 0.000 0.242 64 I C 1.351 177.389 176.117 -0.130 0.000 1.088 64 I CA 4.465 65.680 61.300 -0.142 0.000 1.357 64 I CB -0.442 37.491 38.000 -0.113 0.000 1.051 64 I HN 0.445 8.396 8.210 -0.145 0.172 0.409 65 K N 0.301 120.637 120.400 -0.106 0.000 2.127 65 K HA -0.458 3.825 4.320 -0.062 0.000 0.208 65 K C 1.870 178.461 176.600 -0.016 0.000 1.047 65 K CA 4.143 60.389 56.287 -0.070 0.000 0.927 65 K CB -0.317 32.129 32.500 -0.091 0.000 0.716 65 K HN 0.660 8.625 8.250 -0.123 0.211 0.450 66 Y N -1.306 118.918 120.300 -0.127 0.000 2.109 66 Y HA -0.250 4.282 4.550 -0.030 0.000 0.285 66 Y C 1.399 177.340 175.900 0.067 0.000 1.131 66 Y CA 1.639 59.702 58.100 -0.061 0.000 1.121 66 Y CB -0.520 37.817 38.460 -0.205 0.000 0.987 66 Y HN -0.903 7.275 8.280 0.009 0.107 0.495 67 L N -1.517 119.181 121.223 -0.875 0.000 2.201 67 L HA -0.486 3.395 4.340 -0.765 0.000 0.212 67 L C 2.391 179.149 176.870 -0.186 0.000 1.105 67 L CA 2.523 56.967 54.840 -0.660 0.000 0.775 67 L CB -0.538 41.207 42.059 -0.523 0.000 0.913 67 L HN 0.093 7.881 8.230 -0.736 0.000 0.440 68 N N 0.112 118.731 118.700 -0.135 0.000 2.058 68 N HA -0.379 4.321 4.740 -0.066 0.000 0.191 68 N C 1.984 177.472 175.510 -0.036 0.000 1.037 68 N CA 3.872 56.881 53.050 -0.068 0.000 0.848 68 N CB -0.253 38.196 38.487 -0.063 0.000 1.021 68 N HN 0.818 8.865 8.380 -0.160 0.237 0.422 69 N N 0.723 119.431 118.700 0.013 0.000 2.084 69 N HA -0.272 4.475 4.740 0.013 0.000 0.190 69 N C 2.176 177.727 175.510 0.069 0.000 1.030 69 N CA 3.050 56.139 53.050 0.064 0.000 0.849 69 N CB -0.211 38.368 38.487 0.153 0.000 1.012 69 N HN -0.590 7.800 8.380 0.017 0.000 0.423 70 V N 0.592 120.610 119.914 0.174 0.000 2.343 70 V HA -0.422 3.816 4.120 0.196 0.000 0.247 70 V C 1.816 177.853 176.094 -0.094 0.000 1.051 70 V CA 4.289 66.697 62.300 0.180 0.000 1.036 70 V CB -0.490 31.578 31.823 0.409 0.000 0.654 70 V HN -0.533 7.765 8.190 0.179 0.000 0.451 71 V N 1.029 120.916 119.914 -0.045 0.000 2.392 71 V HA -0.628 3.453 4.120 -0.065 0.000 0.249 71 V C 1.683 177.666 176.094 -0.186 0.000 1.059 71 V CA 5.299 67.556 62.300 -0.071 0.000 1.051 71 V CB -0.146 31.677 31.823 0.001 0.000 0.658 71 V HN 0.775 8.768 8.190 -0.005 0.195 0.455 72 E N -0.303 119.775 120.200 -0.204 0.000 2.031 72 E HA -0.428 3.805 4.350 -0.195 0.000 0.193 72 E C 2.352 178.668 176.600 -0.474 0.000 0.994 72 E CA 3.541 59.788 56.400 -0.255 0.000 0.800 72 E CB -0.260 29.327 29.700 -0.189 0.000 0.752 72 E HN -0.133 8.045 8.360 -0.148 0.094 0.447 73 Q N -1.226 118.118 119.800 -0.759 0.000 2.096 73 Q HA -0.291 3.350 4.340 -1.165 0.000 0.204 73 Q C 3.271 178.180 176.000 -1.819 0.000 0.982 73 Q CA 2.782 57.639 55.803 -1.576 0.000 0.850 73 Q CB -0.326 26.826 28.738 -2.645 0.000 0.901 73 Q HN -0.459 7.450 8.270 -0.602 0.000 0.422 74 L N 0.845 121.412 121.223 -1.095 0.000 2.042 74 L HA -0.291 4.197 4.340 0.246 0.000 0.210 74 L C 2.152 178.918 176.870 -0.174 0.000 1.076 74 L CA 2.887 57.562 54.840 -0.276 0.000 0.749 74 L CB -0.065 41.910 42.059 -0.139 0.000 0.893 74 L HN 0.568 8.131 8.230 -0.822 0.174 0.432 75 K N -2.787 117.469 120.400 -0.240 0.000 2.280 75 K HA -0.196 4.091 4.320 -0.055 0.000 0.202 75 K C -0.321 176.173 176.600 -0.178 0.000 1.047 75 K CA 2.332 58.535 56.287 -0.140 0.000 0.942 75 K CB 0.659 33.075 32.500 -0.140 0.000 0.739 75 K HN 0.043 7.904 8.250 -0.307 0.204 0.457 76 D N -2.498 117.713 120.400 -0.315 0.000 3.171 76 D HA 0.050 4.504 4.640 -0.310 0.000 0.240 76 D C -0.868 175.195 176.300 -0.395 0.000 1.432 76 D CA -0.179 53.631 54.000 -0.316 0.000 0.892 76 D CB -0.533 40.136 40.800 -0.219 0.000 1.499 76 D HN -0.463 7.452 8.370 -0.462 0.179 0.597 77 W N 2.187 123.179 121.300 -0.513 0.000 2.348 77 W HA -0.342 4.137 4.660 -0.295 0.004 0.324 77 W C -0.369 175.925 176.519 -0.375 0.000 1.209 77 W CA 3.594 60.690 57.345 -0.416 0.000 1.275 77 W CB 0.621 29.853 29.460 -0.380 0.000 1.175 77 W HN 0.177 8.108 8.180 -0.414 0.000 0.461 78 L N -9.718 111.341 121.223 -0.273 0.000 3.288 78 L HA 0.192 4.449 4.340 -0.137 0.000 0.473 78 L C -1.759 175.067 176.870 -0.073 0.000 0.950 78 L CA 0.264 55.024 54.840 -0.133 0.000 1.556 78 L CB -2.070 39.997 42.059 0.014 0.000 1.380 78 L HN -0.320 7.447 8.230 -0.773 0.000 0.448 79 Y N -2.009 118.335 120.300 0.074 0.000 3.048 79 Y HA 0.279 4.845 4.550 0.027 0.000 0.305 79 Y C -1.195 174.727 175.900 0.036 0.000 1.538 79 Y CA -1.786 56.338 58.100 0.039 0.000 1.082 79 Y CB 1.576 40.049 38.460 0.022 0.000 1.388 79 Y HN -0.799 6.854 8.280 -1.046 0.000 0.557 80 K N -0.372 120.301 120.400 0.455 0.000 3.341 80 K HA 0.128 4.656 4.320 0.346 0.000 0.149 80 K C -1.754 174.937 176.600 0.152 0.000 1.326 80 K CA 0.856 57.308 56.287 0.276 0.000 0.719 80 K CB 0.168 32.752 32.500 0.140 0.000 1.017 80 K HN 0.398 9.034 8.250 0.396 -0.148 0.405 81 C N -2.736 116.628 119.300 0.106 0.000 3.331 81 C HA 0.133 4.616 4.460 0.038 0.000 0.296 81 C C -0.921 174.052 174.990 -0.029 0.000 2.272 81 C CA 0.101 59.138 59.018 0.031 0.000 1.480 81 C CB 1.192 28.950 27.740 0.030 0.000 1.679 81 C HN 0.259 8.556 8.230 0.110 0.000 0.633 82 S N -0.578 115.074 115.700 -0.080 0.000 3.997 82 S HA 0.081 4.501 4.470 -0.083 0.000 0.204 82 S C -1.311 173.134 174.600 -0.259 0.000 1.001 82 S CA -0.155 57.973 58.200 -0.120 0.000 1.662 82 S CB 1.021 64.169 63.200 -0.087 0.000 0.765 82 S HN -0.765 7.681 8.310 -0.065 -0.174 0.681 83 V N 0.519 120.273 119.914 -0.267 0.000 3.625 83 V HA -0.321 3.687 4.120 -0.287 -0.060 0.501 83 V C -1.483 174.437 176.094 -0.290 0.000 0.682 83 V CA 1.406 63.471 62.300 -0.392 0.000 2.035 83 V CB -0.358 30.940 31.823 -0.875 0.000 2.457 83 V HN 0.076 8.158 8.190 -0.180 0.000 0.508 84 Q N 1.153 120.865 119.800 -0.146 0.000 3.233 84 Q HA 0.078 4.404 4.340 -0.023 0.000 0.157 84 Q C -2.000 174.015 176.000 0.025 0.000 0.580 84 Q CA -0.040 55.740 55.803 -0.039 0.000 1.018 84 Q CB 0.047 28.770 28.738 -0.024 0.000 1.499 84 Q HN 0.043 8.243 8.270 -0.117 0.000 0.352 85 K N 0.254 120.676 120.400 0.038 0.000 2.498 85 K HA 0.388 4.711 4.320 0.005 0.000 0.254 85 K C -2.458 174.163 176.600 0.036 0.000 0.933 85 K CA -0.124 56.183 56.287 0.033 0.000 0.806 85 K CB 4.666 37.204 32.500 0.062 0.000 1.301 85 K HN 0.255 8.516 8.250 0.019 0.000 0.432 86 L N 2.006 123.132 121.223 -0.162 0.000 2.434 86 L HA 0.670 5.237 4.340 0.015 -0.217 0.260 86 L C -1.708 174.790 176.870 -0.619 0.000 0.983 86 L CA -1.046 53.616 54.840 -0.296 0.000 0.820 86 L CB 4.673 46.495 42.059 -0.395 0.000 1.361 86 L HN 0.321 8.408 8.230 -0.239 0.000 0.410 87 V N 1.993 121.709 119.914 -0.330 0.000 2.524 87 V HA 0.186 4.070 4.120 -0.394 0.000 0.297 87 V C -1.653 174.409 176.094 -0.053 0.000 1.035 87 V CA -1.221 60.916 62.300 -0.272 0.000 0.867 87 V CB 3.123 34.809 31.823 -0.228 0.000 1.004 87 V HN -0.032 8.020 8.190 -0.056 0.105 0.426 88 V N 9.007 128.934 119.914 0.021 0.000 2.406 88 V HA 0.291 4.636 4.120 0.063 -0.187 0.272 88 V C -0.904 175.145 176.094 -0.075 0.000 1.043 88 V CA -1.692 60.643 62.300 0.058 0.000 0.915 88 V CB 0.926 32.900 31.823 0.250 0.000 0.988 88 V HN 0.111 8.313 8.190 0.020 0.000 0.466 89 V N 8.680 128.496 119.914 -0.162 0.000 2.328 89 V HA 0.164 4.227 4.120 -0.096 0.000 0.278 89 V C -1.435 174.494 176.094 -0.275 0.000 1.021 89 V CA -0.457 61.753 62.300 -0.150 0.000 0.838 89 V CB 0.563 32.343 31.823 -0.072 0.000 0.999 89 V HN 0.390 8.482 8.190 -0.164 0.000 0.447 90 I N 8.797 129.239 120.570 -0.213 0.000 2.465 90 I HA 0.822 5.130 4.170 -0.236 -0.280 0.291 90 I C -1.293 174.788 176.117 -0.061 0.000 1.014 90 I CA -1.917 59.272 61.300 -0.184 0.000 1.093 90 I CB 3.192 41.098 38.000 -0.158 0.000 1.267 90 I HN 0.207 8.340 8.210 -0.129 0.000 0.431 91 S N 5.305 120.982 115.700 -0.039 0.000 2.542 91 S HA 0.285 4.733 4.470 -0.008 0.018 0.293 91 S C -1.289 173.312 174.600 0.003 0.000 1.089 91 S CA -1.614 56.577 58.200 -0.015 0.000 0.961 91 S CB 2.629 65.815 63.200 -0.024 0.000 1.062 91 S HN 0.041 8.322 8.310 -0.047 0.000 0.483 92 N N 2.806 121.512 118.700 0.010 0.000 2.406 92 N HA 0.152 4.905 4.740 0.022 0.000 0.251 92 N C -0.486 175.027 175.510 0.005 0.000 1.069 92 N CA -0.455 52.604 53.050 0.015 0.000 0.947 92 N CB 0.869 39.369 38.487 0.021 0.000 1.111 92 N HN 0.800 9.065 8.380 0.009 0.120 0.497 93 I N 5.153 125.724 120.570 0.001 0.000 3.680 93 I HA -0.082 4.083 4.170 -0.009 0.000 0.306 93 I C 0.169 176.285 176.117 -0.002 0.000 1.260 93 I CA 0.927 62.223 61.300 -0.007 0.000 1.201 93 I CB 0.374 38.365 38.000 -0.016 0.000 1.009 93 I HN 0.632 8.741 8.210 0.003 0.103 0.467 94 E N -0.980 119.223 120.200 0.004 0.000 3.957 94 E HA 0.135 4.487 4.350 0.002 0.000 0.172 94 E C -1.476 175.129 176.600 0.008 0.000 1.032 94 E CA 0.168 56.571 56.400 0.005 0.000 1.491 94 E CB 0.498 30.203 29.700 0.007 0.000 1.151 94 E HN -0.117 8.439 8.360 0.007 -0.192 0.410 95 S N -1.638 114.067 115.700 0.008 0.000 5.433 95 S HA 0.153 4.628 4.470 0.009 0.000 0.146 95 S C -0.912 173.693 174.600 0.008 0.000 1.105 95 S CA 1.100 59.306 58.200 0.010 0.000 1.385 95 S CB 1.085 64.294 63.200 0.015 0.000 1.966 95 S HN -0.196 8.118 8.310 0.006 0.000 0.575 96 G N 1.952 110.758 108.800 0.009 0.000 5.072 96 G HA2 0.148 4.111 3.960 0.005 0.000 0.208 96 G HA3 0.148 4.113 3.960 0.009 0.000 0.208 96 G C -1.245 173.659 174.900 0.005 0.000 0.804 96 G CA 0.237 45.341 45.100 0.007 0.000 0.619 96 G HN -0.053 8.244 8.290 0.011 0.000 0.427 97 E N -1.533 118.669 120.200 0.003 0.000 3.303 97 E HA -0.539 3.853 4.350 -0.004 -0.044 0.309 97 E C -0.658 175.942 176.600 0.001 0.000 1.470 97 E CA 1.809 58.209 56.400 -0.001 0.000 1.869 97 E CB 0.147 29.845 29.700 -0.002 0.000 1.914 97 E HN -0.509 7.852 8.360 0.002 0.000 0.498 98 V N -1.442 118.471 119.914 -0.002 0.000 3.233 98 V HA -0.327 3.788 4.120 -0.008 0.000 0.290 98 V C -0.374 175.725 176.094 0.009 0.000 1.275 98 V CA 2.740 65.039 62.300 -0.002 0.000 1.375 98 V CB 0.110 31.930 31.823 -0.004 0.000 0.980 98 V HN 0.181 8.369 8.190 -0.004 0.000 0.521 99 L N 2.493 123.726 121.223 0.016 0.000 2.195 99 L HA 0.319 4.679 4.340 0.033 0.000 0.222 99 L C -1.317 175.583 176.870 0.050 0.000 1.132 99 L CA 0.928 55.789 54.840 0.035 0.000 1.159 99 L CB 3.293 45.377 42.059 0.042 0.000 2.382 99 L HN -0.065 8.170 8.230 0.008 0.000 0.523 100 E N 0.222 120.454 120.200 0.052 0.000 2.367 100 E HA 0.267 4.674 4.350 0.095 0.000 0.273 100 E C -2.498 174.144 176.600 0.070 0.000 0.903 100 E CA -1.018 55.437 56.400 0.091 0.000 0.764 100 E CB 3.185 32.970 29.700 0.141 0.000 1.252 100 E HN -0.606 7.774 8.360 0.033 0.000 0.446 101 R N 4.655 125.219 120.500 0.106 0.000 2.695 101 R HA 0.359 4.944 4.340 0.057 -0.211 0.288 101 R C -1.437 174.955 176.300 0.154 0.000 1.344 101 R CA -0.508 55.641 56.100 0.081 0.000 1.005 101 R CB 2.015 32.319 30.300 0.005 0.000 1.233 101 R HN 0.306 8.652 8.270 0.128 0.000 0.442 102 W N 7.280 128.612 121.300 0.054 0.000 2.316 102 W HA 0.129 4.866 4.660 0.129 0.000 0.339 102 W C -1.384 175.293 176.519 0.264 0.000 1.002 102 W CA -0.308 57.148 57.345 0.185 0.000 1.465 102 W CB 0.718 30.321 29.460 0.238 0.000 1.300 102 W HN 0.300 8.708 8.180 0.381 0.000 0.378 103 Q N 5.418 125.289 119.800 0.118 0.000 2.303 103 Q HA 0.381 4.640 4.340 -0.337 -0.122 0.257 103 Q C -1.377 174.628 176.000 0.008 0.000 0.941 103 Q CA -0.621 55.116 55.803 -0.111 0.000 0.931 103 Q CB 2.262 30.900 28.738 -0.166 0.000 1.215 103 Q HN 0.454 8.697 8.270 -0.045 0.000 0.437 104 F N 1.993 121.986 119.950 0.072 0.000 2.561 104 F HA 0.907 5.646 4.527 0.015 -0.203 0.313 104 F C -1.797 174.068 175.800 0.109 0.000 1.126 104 F CA -2.812 55.240 58.000 0.086 0.000 0.918 104 F CB 2.851 41.962 39.000 0.186 0.000 1.199 104 F HN 0.198 7.662 8.300 -1.393 0.000 0.444 105 D N 0.350 120.852 120.400 0.170 0.000 2.440 105 D HA 0.309 5.038 4.640 0.064 -0.051 0.258 105 D C -1.686 174.744 176.300 0.218 0.000 1.092 105 D CA -1.680 52.391 54.000 0.119 0.000 1.016 105 D CB 3.833 44.660 40.800 0.044 0.000 1.141 105 D HN 1.038 9.385 8.370 0.170 0.125 0.552 106 I N -3.501 117.170 120.570 0.168 0.000 3.002 106 I HA 0.290 4.675 4.170 0.262 -0.059 0.310 106 I C -1.302 174.886 176.117 0.118 0.000 1.087 106 I CA -2.985 58.431 61.300 0.194 0.000 1.017 106 I CB 2.801 40.917 38.000 0.193 0.000 1.226 106 I HN 0.688 8.846 8.210 0.108 0.117 0.443 107 E N 2.237 122.508 120.200 0.118 0.000 2.313 107 E HA 0.204 4.772 4.350 0.046 -0.191 0.280 107 E C -1.816 174.818 176.600 0.058 0.000 0.898 107 E CA -0.748 55.694 56.400 0.071 0.000 0.803 107 E CB 2.010 31.755 29.700 0.075 0.000 1.286 107 E HN 0.224 8.676 8.360 0.154 0.000 0.401 108 C N 7.638 126.960 119.300 0.038 0.000 2.330 108 C HA 0.233 4.715 4.460 0.037 0.000 0.344 108 C C -1.040 173.964 174.990 0.024 0.000 1.273 108 C CA -0.588 58.450 59.018 0.034 0.000 1.879 108 C CB 0.997 28.759 27.740 0.037 0.000 2.376 108 C HN 0.266 8.511 8.230 0.025 0.000 0.534 109 D N 8.529 128.941 120.400 0.019 0.000 2.493 109 D HA 0.105 4.754 4.640 0.015 0.000 0.239 109 D C -0.828 175.478 176.300 0.011 0.000 1.049 109 D CA -0.943 53.066 54.000 0.014 0.000 1.008 109 D CB 2.534 43.341 40.800 0.012 0.000 1.398 109 D HN -0.116 8.263 8.370 0.015 0.000 0.513 110 K N 0.308 120.713 120.400 0.009 0.000 3.257 110 K HA -0.259 4.066 4.320 0.007 0.000 0.270 110 K C -0.562 176.044 176.600 0.011 0.000 0.984 110 K CA 0.825 57.117 56.287 0.008 0.000 0.739 110 K CB -1.842 30.659 32.500 0.003 0.000 1.351 110 K HN 0.363 8.619 8.250 0.010 0.000 0.463 111 T N 0.100 114.663 114.554 0.015 0.000 2.903 111 T HA -0.249 4.115 4.350 0.025 0.000 0.314 111 T C -0.402 174.308 174.700 0.016 0.000 1.078 111 T CA 1.559 63.672 62.100 0.020 0.000 1.114 111 T CB 0.597 69.479 68.868 0.023 0.000 0.987 111 T HN -0.167 8.082 8.240 0.015 0.000 0.548 112 A N 3.725 126.556 122.820 0.018 0.000 2.395 112 A HA -0.007 4.321 4.320 0.013 0.000 0.296 112 A C -2.316 175.276 177.584 0.013 0.000 0.983 112 A CA 0.105 52.150 52.037 0.013 0.000 0.581 112 A CB 0.700 19.706 19.000 0.009 0.000 1.426 112 A HN 0.104 8.268 8.150 0.023 0.000 0.503 113 K N -2.256 118.149 120.400 0.010 0.000 2.782 113 K HA 0.114 4.439 4.320 0.008 0.000 0.193 113 K C -1.452 175.150 176.600 0.004 0.000 1.592 113 K CA 0.571 56.862 56.287 0.007 0.000 1.247 113 K CB 1.506 34.011 32.500 0.008 0.000 1.691 113 K HN 0.197 8.452 8.250 0.008 0.000 0.605 114 D N -0.613 119.790 120.400 0.003 0.000 2.361 114 D HA -0.117 4.524 4.640 0.001 0.000 0.239 114 D C -0.571 175.730 176.300 0.000 0.000 1.200 114 D CA 0.369 54.370 54.000 0.001 0.000 0.915 114 D CB 0.135 40.936 40.800 0.002 0.000 1.170 114 D HN -0.548 7.825 8.370 0.005 0.000 0.444 115 D N -1.816 118.584 120.400 -0.001 0.000 2.702 115 D HA -0.260 4.378 4.640 -0.003 0.000 0.233 115 D C -0.332 175.966 176.300 -0.003 0.000 1.164 115 D CA 1.163 55.161 54.000 -0.002 0.000 0.638 115 D CB -1.184 39.616 40.800 -0.001 0.000 1.041 115 D HN 0.283 8.652 8.370 -0.001 0.000 0.422 116 S N -0.518 115.180 115.700 -0.003 0.000 2.406 116 S HA -0.371 4.098 4.470 -0.002 0.000 0.211 116 S C 0.068 174.664 174.600 -0.006 0.000 1.045 116 S CA 2.145 60.343 58.200 -0.003 0.000 1.058 116 S CB 0.659 63.858 63.200 -0.003 0.000 1.044 116 S HN -0.138 8.160 8.310 -0.002 0.010 0.413 117 A N 0.862 123.678 122.820 -0.007 0.000 2.435 117 A HA -0.089 4.226 4.320 -0.008 0.000 0.686 117 A C -1.980 175.598 177.584 -0.010 0.000 0.138 117 A CA -0.079 51.953 52.037 -0.008 0.000 0.025 117 A CB -0.641 18.354 19.000 -0.008 0.000 3.974 117 A HN 0.090 8.236 8.150 -0.006 0.000 0.548 118 P HA 0.073 4.484 4.420 -0.014 0.000 0.226 118 P C -1.383 175.907 177.300 -0.016 0.000 1.783 118 P CA -0.400 62.691 63.100 -0.014 0.000 0.980 118 P CB -1.296 30.396 31.700 -0.014 0.000 1.967 119 R N 0.781 121.271 120.500 -0.017 0.000 2.634 119 R HA 0.152 4.478 4.340 -0.023 0.000 0.263 119 R C -2.112 174.176 176.300 -0.020 0.000 1.060 119 R CA -0.465 55.623 56.100 -0.019 0.000 0.898 119 R CB 2.355 32.646 30.300 -0.015 0.000 1.253 119 R HN 0.066 8.264 8.270 -0.015 0.063 0.461 120 E N 1.485 121.671 120.200 -0.024 0.000 1.237 120 E HA -0.154 4.185 4.350 -0.019 0.000 0.205 120 E C -1.680 174.903 176.600 -0.029 0.000 0.979 120 E CA 0.355 56.741 56.400 -0.024 0.000 0.945 120 E CB 0.468 30.153 29.700 -0.026 0.000 4.739 120 E HN 0.344 8.687 8.360 -0.027 0.000 0.646 121 K N 0.310 120.687 120.400 -0.038 0.000 6.595 121 K HA -0.133 4.157 4.320 -0.049 0.000 0.817 121 K C -1.781 174.789 176.600 -0.049 0.000 2.257 121 K CA 0.212 56.474 56.287 -0.042 0.000 1.680 121 K CB -0.201 32.283 32.500 -0.026 0.000 2.220 121 K HN -0.146 8.080 8.250 -0.041 0.000 0.275 122 S N 2.542 118.198 115.700 -0.073 0.000 2.558 122 S HA -0.144 4.270 4.470 -0.093 0.000 0.291 122 S C -0.371 174.209 174.600 -0.033 0.000 1.306 122 S CA 0.483 58.636 58.200 -0.078 0.000 1.056 122 S CB 0.514 63.646 63.200 -0.113 0.000 0.836 122 S HN -0.195 8.061 8.310 -0.091 0.000 0.504 123 Q N 4.366 124.148 119.800 -0.029 0.000 2.349 123 Q HA -0.132 4.208 4.340 -0.000 0.000 0.287 123 Q C 1.592 177.613 176.000 0.035 0.000 1.044 123 Q CA 0.711 56.515 55.803 0.002 0.000 0.918 123 Q CB 0.316 29.054 28.738 -0.001 0.000 1.242 123 Q HN 0.128 8.363 8.270 -0.057 0.000 0.405 124 K N 6.492 126.913 120.400 0.036 0.000 2.089 124 K HA -0.450 3.902 4.320 0.053 0.000 0.210 124 K C 1.233 177.881 176.600 0.080 0.000 1.048 124 K CA 3.607 59.925 56.287 0.052 0.000 0.926 124 K CB -0.555 31.967 32.500 0.037 0.000 0.714 124 K HN 0.606 8.871 8.250 0.024 0.000 0.448 125 A N -1.653 121.214 122.820 0.078 0.000 1.978 125 A HA -0.205 4.170 4.320 0.091 0.000 0.220 125 A C 2.480 180.173 177.584 0.183 0.000 1.170 125 A CA 2.673 54.773 52.037 0.105 0.000 0.636 125 A CB -0.941 18.113 19.000 0.089 0.000 0.810 125 A HN 0.241 8.419 8.150 0.059 0.008 0.448 126 I N -1.181 119.510 120.570 0.203 0.000 2.179 126 I HA -0.464 4.104 4.170 0.663 0.000 0.242 126 I C 1.853 178.238 176.117 0.447 0.000 1.088 126 I CA 3.368 64.912 61.300 0.408 0.000 1.357 126 I CB -1.165 36.942 38.000 0.178 0.000 1.051 126 I HN 0.526 8.656 8.210 0.126 0.156 0.409 127 Q N 1.158 121.128 119.800 0.283 0.000 2.030 127 Q HA -0.370 4.255 4.340 0.314 -0.097 0.204 127 Q C 2.365 178.451 176.000 0.143 0.000 0.986 127 Q CA 3.634 59.574 55.803 0.229 0.000 0.843 127 Q CB -0.421 28.402 28.738 0.143 0.000 0.904 127 Q HN -0.350 7.966 8.270 0.206 0.078 0.420 128 D N -0.895 119.573 120.400 0.115 0.000 2.097 128 D HA -0.268 4.399 4.640 0.044 0.000 0.197 128 D C 2.278 178.613 176.300 0.058 0.000 0.984 128 D CA 3.391 57.431 54.000 0.067 0.000 0.826 128 D CB -0.001 40.834 40.800 0.060 0.000 0.973 128 D HN -0.491 7.952 8.370 0.121 0.000 0.460 129 E N 0.017 120.283 120.200 0.109 0.000 2.031 129 E HA -0.272 4.103 4.350 0.043 0.000 0.193 129 E C 2.556 179.132 176.600 -0.041 0.000 0.994 129 E CA 3.153 59.602 56.400 0.082 0.000 0.800 129 E CB 0.345 30.172 29.700 0.212 0.000 0.752 129 E HN 0.490 8.808 8.360 0.159 0.137 0.447 130 I N -0.236 120.304 120.570 -0.050 0.000 2.315 130 I HA -0.316 3.450 4.170 -0.672 0.000 0.248 130 I C 1.223 177.178 176.117 -0.271 0.000 1.117 130 I CA 1.677 62.738 61.300 -0.399 0.000 1.404 130 I CB -0.535 37.263 38.000 -0.337 0.000 1.071 130 I HN 0.381 8.588 8.210 0.207 0.127 0.419 131 R N -0.050 120.377 120.500 -0.122 0.000 2.092 131 R HA -0.421 3.819 4.340 -0.167 0.000 0.231 131 R C 2.303 178.548 176.300 -0.091 0.000 1.119 131 R CA 4.037 60.070 56.100 -0.110 0.000 0.970 131 R CB -0.345 29.934 30.300 -0.035 0.000 0.864 131 R HN 0.446 8.582 8.270 -0.028 0.117 0.440 132 S N -1.360 114.301 115.700 -0.065 0.000 2.423 132 S HA -0.193 4.253 4.470 -0.040 0.000 0.231 132 S C 1.825 176.395 174.600 -0.050 0.000 1.014 132 S CA 2.655 60.826 58.200 -0.049 0.000 0.965 132 S CB -0.545 62.633 63.200 -0.035 0.000 0.785 132 S HN -0.131 8.042 8.310 -0.051 0.106 0.495 133 V N 2.638 122.507 119.914 -0.075 0.000 2.229 133 V HA -0.485 3.656 4.120 0.035 0.000 0.243 133 V C 1.117 177.245 176.094 0.056 0.000 1.042 133 V CA 4.674 66.976 62.300 0.004 0.000 1.000 133 V CB 0.085 31.858 31.823 -0.083 0.000 0.637 133 V HN -0.606 7.386 8.190 -0.122 0.126 0.446 134 I N -1.710 118.809 120.570 -0.086 0.000 2.315 134 I HA -0.462 3.634 4.170 -0.123 0.000 0.251 134 I C 2.481 178.564 176.117 -0.057 0.000 1.125 134 I CA 3.374 64.606 61.300 -0.112 0.000 1.392 134 I CB -0.541 37.331 38.000 -0.213 0.000 1.065 134 I HN -0.643 7.462 8.210 -0.176 0.000 0.424 135 R N -0.807 119.666 120.500 -0.045 0.000 2.066 135 R HA -0.351 3.970 4.340 -0.031 0.000 0.232 135 R C 2.184 178.483 176.300 -0.003 0.000 1.131 135 R CA 3.017 59.100 56.100 -0.028 0.000 0.955 135 R CB -0.683 29.598 30.300 -0.032 0.000 0.851 135 R HN -0.190 7.936 8.270 -0.061 0.107 0.432 136 Q N -0.517 119.297 119.800 0.022 0.000 2.167 136 Q HA -0.240 4.097 4.340 -0.005 0.000 0.202 136 Q C 2.458 178.527 176.000 0.115 0.000 0.970 136 Q CA 3.090 58.915 55.803 0.036 0.000 0.855 136 Q CB -0.331 28.410 28.738 0.004 0.000 0.911 136 Q HN -0.250 7.959 8.270 0.020 0.074 0.438 137 I N -0.089 120.600 120.570 0.199 0.000 2.133 137 I HA -0.399 3.981 4.170 0.349 0.000 0.238 137 I C 2.104 178.209 176.117 -0.020 0.000 1.074 137 I CA 3.441 64.846 61.300 0.175 0.000 1.342 137 I CB -0.429 37.552 38.000 -0.033 0.000 1.053 137 I HN -0.015 8.295 8.210 0.190 0.014 0.404 138 T N 1.308 115.802 114.554 -0.100 0.000 2.915 138 T HA -0.304 3.885 4.350 -0.267 0.000 0.269 138 T C 1.538 176.212 174.700 -0.042 0.000 1.071 138 T CA 3.270 65.279 62.100 -0.151 0.000 1.132 138 T CB -1.106 67.683 68.868 -0.131 0.000 0.878 138 T HN -0.152 8.037 8.240 -0.085 0.000 0.479 139 A N 1.855 124.671 122.820 -0.007 0.000 1.858 139 A HA -0.196 4.137 4.320 0.022 0.000 0.216 139 A C 1.866 179.484 177.584 0.058 0.000 1.190 139 A CA 3.000 55.047 52.037 0.016 0.000 0.617 139 A CB -0.783 18.211 19.000 -0.009 0.000 0.827 139 A HN 0.164 8.100 8.150 -0.007 0.209 0.443 140 T N 0.781 115.365 114.554 0.051 0.000 2.788 140 T HA -0.418 3.972 4.350 0.065 0.000 0.268 140 T C 1.922 176.790 174.700 0.281 0.000 1.044 140 T CA 4.796 66.982 62.100 0.143 0.000 1.139 140 T CB -0.374 68.550 68.868 0.093 0.000 0.867 140 T HN -0.649 7.610 8.240 0.032 0.000 0.454 141 V N 1.686 121.673 119.914 0.123 0.000 2.215 141 V HA -0.592 3.575 4.120 0.078 0.000 0.249 141 V C 2.242 178.391 176.094 0.091 0.000 1.054 141 V CA 5.253 67.593 62.300 0.068 0.000 1.012 141 V CB -0.285 31.501 31.823 -0.062 0.000 0.639 141 V HN -0.432 7.788 8.190 0.062 0.007 0.448 142 T N 1.299 115.901 114.554 0.080 0.000 2.653 142 T HA -0.396 3.985 4.350 0.052 0.000 0.268 142 T C 1.234 175.997 174.700 0.105 0.000 1.035 142 T CA 3.256 65.404 62.100 0.080 0.000 1.154 142 T CB -0.530 68.386 68.868 0.080 0.000 0.862 142 T HN -0.474 7.798 8.240 0.054 0.000 0.441 143 F N 0.891 120.843 119.950 0.004 0.000 2.269 143 F HA -0.165 4.367 4.527 0.008 0.000 0.301 143 F C -0.074 175.733 175.800 0.011 0.000 1.082 143 F CA 0.889 58.894 58.000 0.008 0.000 1.360 143 F CB 0.563 39.567 39.000 0.007 0.000 1.041 143 F HN -0.697 7.732 8.300 0.317 0.062 0.512 144 L N 1.985 123.152 121.223 -0.093 0.000 2.453 144 L HA 0.147 4.247 4.340 -0.400 0.000 0.272 144 L C -1.097 175.650 176.870 -0.205 0.000 1.182 144 L CA -1.919 52.800 54.840 -0.201 0.000 0.858 144 L CB -0.015 42.065 42.059 0.035 0.000 1.120 144 L HN -0.269 7.795 8.230 0.172 0.269 0.474 145 P HA 0.014 4.346 4.420 -0.146 0.000 0.228 145 P C -1.367 175.893 177.300 -0.067 0.000 1.748 145 P CA -0.955 62.059 63.100 -0.144 0.000 0.909 145 P CB -1.710 29.904 31.700 -0.144 0.000 1.882 146 L N -1.257 119.941 121.223 -0.041 0.000 3.798 146 L HA -0.402 3.944 4.340 0.011 0.000 0.582 146 L C -1.361 175.511 176.870 0.003 0.000 1.096 146 L CA 0.895 55.733 54.840 -0.005 0.000 0.892 146 L CB -0.877 41.181 42.059 -0.003 0.000 1.181 146 L HN -0.052 8.051 8.230 -0.050 0.097 0.772 147 L N 3.255 124.487 121.223 0.015 0.000 2.235 147 L HA 0.093 4.445 4.340 0.019 0.000 0.260 147 L C -0.610 176.289 176.870 0.047 0.000 1.025 147 L CA -1.051 53.803 54.840 0.025 0.000 0.836 147 L CB 2.441 44.512 42.059 0.019 0.000 1.395 147 L HN -0.334 7.908 8.230 0.020 0.000 0.443 148 E N -2.208 118.023 120.200 0.052 0.000 2.063 148 E HA 0.025 4.427 4.350 0.086 0.000 0.261 148 E C -1.300 175.339 176.600 0.065 0.000 1.078 148 E CA 0.624 57.067 56.400 0.072 0.000 1.828 148 E CB 1.445 31.192 29.700 0.080 0.000 3.457 148 E HN 0.125 8.510 8.360 0.042 0.000 1.008 149 V N -4.274 115.670 119.914 0.050 0.000 3.440 149 V HA -0.351 3.788 4.120 0.033 0.000 0.377 149 V C -1.189 174.928 176.094 0.038 0.000 2.191 149 V CA 1.420 63.743 62.300 0.038 0.000 2.193 149 V CB -0.327 31.514 31.823 0.030 0.000 1.831 149 V HN -0.217 8.001 8.190 0.047 0.000 0.510 150 S N -0.118 115.594 115.700 0.021 0.000 2.562 150 S HA 0.153 4.658 4.470 0.000 -0.035 0.275 150 S C -0.650 173.950 174.600 -0.000 0.000 1.281 150 S CA 0.218 58.420 58.200 0.003 0.000 1.045 150 S CB 0.692 63.886 63.200 -0.009 0.000 0.962 150 S HN 0.201 8.520 8.310 0.016 0.000 0.503 151 C N 2.370 121.662 119.300 -0.014 0.000 3.316 151 C HA 0.527 5.136 4.460 -0.006 -0.152 0.360 151 C C -2.171 172.799 174.990 -0.033 0.000 1.560 151 C CA -1.345 57.670 59.018 -0.005 0.000 1.229 151 C CB 4.750 32.514 27.740 0.041 0.000 1.823 151 C HN 0.336 8.489 8.230 -0.037 0.056 0.440 152 S N -0.945 114.736 115.700 -0.031 0.000 2.568 152 S HA 0.678 5.341 4.470 -0.083 -0.242 0.302 152 S C -1.685 172.864 174.600 -0.085 0.000 1.082 152 S CA -1.745 56.415 58.200 -0.067 0.000 1.009 152 S CB 2.142 65.304 63.200 -0.063 0.000 1.069 152 S HN 0.227 8.526 8.310 -0.018 0.000 0.500 153 F N 3.504 123.184 119.950 -0.448 0.000 2.557 153 F HA 0.519 4.955 4.527 -0.367 -0.130 0.316 153 F C -2.532 172.983 175.800 -0.474 0.000 1.141 153 F CA -0.634 56.981 58.000 -0.643 0.000 0.922 153 F CB 4.609 42.685 39.000 -1.539 0.000 1.194 153 F HN 1.272 9.311 8.300 -0.202 0.140 0.443 154 D N 6.818 127.040 120.400 -0.297 0.000 2.896 154 D HA 0.486 5.379 4.640 0.096 -0.196 0.241 154 D C -2.407 173.958 176.300 0.109 0.000 1.188 154 D CA -0.852 53.144 54.000 -0.007 0.000 0.879 154 D CB 4.604 45.396 40.800 -0.014 0.000 1.553 154 D HN 0.100 8.140 8.370 -0.550 0.000 0.515 155 L N 5.177 126.609 121.223 0.349 0.000 2.282 155 L HA 0.372 4.962 4.340 0.417 0.000 0.288 155 L C -2.550 174.586 176.870 0.444 0.000 1.033 155 L CA -1.204 53.934 54.840 0.496 0.000 0.807 155 L CB 2.717 45.275 42.059 0.833 0.000 1.209 155 L HN 0.893 9.217 8.230 0.379 0.134 0.423 156 L N 5.977 127.422 121.223 0.371 0.000 2.334 156 L HA 0.917 5.716 4.340 0.353 -0.247 0.273 156 L C -0.802 176.281 176.870 0.354 0.000 1.013 156 L CA -1.444 53.617 54.840 0.368 0.000 0.816 156 L CB 3.849 46.160 42.059 0.420 0.000 1.278 156 L HN -0.154 8.266 8.230 0.316 0.000 0.431 157 I N 0.683 121.419 120.570 0.277 0.000 2.466 157 I HA 0.293 4.700 4.170 0.173 -0.133 0.279 157 I C -0.926 175.239 176.117 0.081 0.000 1.033 157 I CA -0.937 60.438 61.300 0.126 0.000 1.123 157 I CB 1.323 39.254 38.000 -0.115 0.000 1.237 157 I HN 0.614 8.872 8.210 0.228 0.088 0.460 158 Y N 9.918 130.193 120.300 -0.042 0.000 2.316 158 Y HA 0.478 5.176 4.550 0.007 -0.145 0.331 158 Y C 0.062 175.892 175.900 -0.117 0.000 1.083 158 Y CA -0.084 57.986 58.100 -0.049 0.000 1.206 158 Y CB 1.745 40.168 38.460 -0.061 0.000 1.195 158 Y HN 1.242 9.620 8.280 0.393 0.137 0.497 159 T N 1.019 115.527 114.554 -0.077 0.000 2.841 159 T HA 0.214 4.472 4.350 -0.153 0.000 0.276 159 T C -1.156 173.493 174.700 -0.085 0.000 1.003 159 T CA -2.789 59.231 62.100 -0.133 0.000 0.995 159 T CB 2.463 71.205 68.868 -0.210 0.000 1.260 159 T HN 0.216 8.373 8.240 -0.139 0.000 0.581 160 D N 0.524 120.864 120.400 -0.100 0.000 2.502 160 D HA 0.012 4.746 4.640 -0.044 -0.120 0.301 160 D C -0.821 175.444 176.300 -0.059 0.000 1.202 160 D CA -0.972 52.990 54.000 -0.063 0.000 0.878 160 D CB -0.591 40.174 40.800 -0.057 0.000 1.062 160 D HN -0.079 8.205 8.370 -0.143 0.000 0.499 161 K N 1.360 121.728 120.400 -0.054 0.000 3.278 161 K HA -0.327 3.971 4.320 -0.036 0.000 0.270 161 K C -1.712 174.868 176.600 -0.032 0.000 0.955 161 K CA 1.617 57.881 56.287 -0.037 0.000 0.723 161 K CB -1.533 30.951 32.500 -0.025 0.000 1.382 161 K HN -0.119 8.095 8.250 -0.060 0.000 0.461 162 D N -2.180 118.193 120.400 -0.044 0.000 2.704 162 D HA 0.064 4.710 4.640 0.010 0.000 0.291 162 D C -2.462 173.853 176.300 0.025 0.000 1.610 162 D CA 0.039 54.031 54.000 -0.014 0.000 0.807 162 D CB 1.180 41.950 40.800 -0.051 0.000 1.233 162 D HN 0.016 8.346 8.370 -0.066 0.000 0.445 163 L N -1.967 119.255 121.223 -0.002 0.000 2.661 163 L HA 0.300 4.712 4.340 0.120 0.000 0.263 163 L C -2.692 174.166 176.870 -0.020 0.000 0.956 163 L CA 0.785 55.643 54.840 0.030 0.000 0.918 163 L CB 1.963 43.998 42.059 -0.040 0.000 1.280 163 L HN -0.394 7.819 8.230 -0.030 0.000 0.416 164 V N 5.303 125.226 119.914 0.015 0.000 2.776 164 V HA 0.199 4.312 4.120 -0.012 0.000 0.332 164 V C -0.653 175.460 176.094 0.032 0.000 1.201 164 V CA -1.118 61.187 62.300 0.009 0.000 1.401 164 V CB -0.020 31.816 31.823 0.021 0.000 1.552 164 V HN 0.135 8.353 8.190 0.046 0.000 0.605 165 V N 2.993 122.919 119.914 0.020 0.000 2.536 165 V HA -0.159 4.043 4.120 0.137 0.000 0.287 165 V C -0.702 175.465 176.094 0.121 0.000 0.979 165 V CA -0.064 62.292 62.300 0.093 0.000 1.161 165 V CB -0.406 31.437 31.823 0.033 0.000 0.915 165 V HN -0.141 7.962 8.190 -0.043 0.061 0.467 166 P HA 0.190 4.667 4.420 0.095 0.000 0.302 166 P C 0.477 177.875 177.300 0.163 0.000 1.301 166 P CA -1.124 62.046 63.100 0.116 0.000 0.745 166 P CB 0.874 32.627 31.700 0.089 0.000 1.331 167 E N 0.266 120.545 120.200 0.132 0.000 2.331 167 E HA -0.333 4.111 4.350 0.157 0.000 0.199 167 E C 1.377 178.088 176.600 0.184 0.000 1.008 167 E CA 2.197 58.684 56.400 0.145 0.000 0.843 167 E CB -0.478 29.278 29.700 0.093 0.000 0.761 167 E HN 0.395 8.815 8.360 0.101 0.000 0.507 168 K N -1.056 119.451 120.400 0.178 0.000 2.259 168 K HA -0.265 4.135 4.320 0.133 0.000 0.206 168 K C 0.335 177.110 176.600 0.291 0.000 1.044 168 K CA 2.438 58.834 56.287 0.182 0.000 0.931 168 K CB -0.458 32.133 32.500 0.152 0.000 0.726 168 K HN -0.246 8.025 8.250 0.151 0.069 0.467 169 W N -1.422 119.951 121.300 0.121 0.000 2.619 169 W HA -0.104 4.626 4.660 0.117 0.000 0.309 169 W C 0.472 177.057 176.519 0.111 0.000 1.126 169 W CA 2.083 59.515 57.345 0.145 0.000 1.472 169 W CB 1.204 30.815 29.460 0.252 0.000 1.164 169 W HN -0.620 7.787 8.180 0.458 0.048 0.503 170 E N -3.420 116.882 120.200 0.170 0.000 2.951 170 E HA -0.104 4.261 4.350 0.025 0.000 0.110 170 E C -1.249 175.350 176.600 -0.002 0.000 0.875 170 E CA 0.447 56.838 56.400 -0.014 0.000 1.559 170 E CB -0.395 29.181 29.700 -0.206 0.000 0.927 170 E HN -0.169 8.389 8.360 0.330 0.000 0.336 171 E N -2.556 117.697 120.200 0.089 0.000 4.071 171 E HA -0.309 4.096 4.350 0.091 0.000 0.355 171 E C -1.438 175.203 176.600 0.069 0.000 0.653 171 E CA 1.880 58.323 56.400 0.071 0.000 1.298 171 E CB -0.331 29.384 29.700 0.025 0.000 1.712 171 E HN 0.351 8.807 8.360 0.160 0.000 0.416 172 S N -4.598 111.134 115.700 0.055 0.000 4.489 172 S HA 0.028 4.643 4.470 0.241 0.000 0.054 172 S C -1.461 172.937 174.600 -0.336 0.000 0.861 172 S CA -0.229 57.998 58.200 0.045 0.000 0.867 172 S CB 0.497 63.690 63.200 -0.013 0.000 0.619 172 S HN -0.355 7.851 8.310 0.011 0.111 0.781 173 G N 0.286 108.428 108.800 -1.096 0.000 2.880 173 G HA2 -0.328 0.970 3.960 -4.438 0.000 0.617 173 G HA3 -0.328 2.387 3.960 -2.445 -0.222 0.617 173 G C -2.656 171.694 174.900 -0.916 0.000 1.493 173 G CA -0.573 43.039 45.100 -2.479 0.000 0.916 173 G HN -0.112 7.884 8.290 -0.489 0.000 0.553 174 P HA -0.129 4.379 4.420 -0.210 -0.214 0.274 174 P C -1.612 175.620 177.300 -0.114 0.000 1.256 174 P CA -0.601 62.362 63.100 -0.229 0.000 0.795 174 P CB 2.092 33.755 31.700 -0.062 0.000 1.038 175 Q N -0.634 119.154 119.800 -0.020 0.000 3.258 175 Q HA 0.156 4.657 4.340 0.045 -0.134 0.214 175 Q C -2.144 173.918 176.000 0.104 0.000 0.873 175 Q CA -0.931 54.890 55.803 0.030 0.000 0.752 175 Q CB 1.361 30.089 28.738 -0.017 0.000 1.396 175 Q HN 0.082 8.353 8.270 0.001 0.000 0.463 176 F N 5.800 125.752 119.950 0.003 0.000 2.370 176 F HA 0.222 4.751 4.527 0.004 0.000 0.319 176 F C -2.291 173.548 175.800 0.064 0.000 1.129 176 F CA -0.881 57.131 58.000 0.021 0.000 1.109 176 F CB 2.215 41.207 39.000 -0.013 0.000 1.262 176 F HN 0.061 8.523 8.300 0.271 0.000 0.534 177 I N -0.445 119.448 120.570 -1.128 0.000 3.174 177 I HA 0.171 4.148 4.170 -0.322 0.000 0.313 177 I C -1.615 173.999 176.117 -0.840 0.000 1.155 177 I CA -1.484 59.417 61.300 -0.664 0.000 0.977 177 I CB 3.968 41.730 38.000 -0.397 0.000 1.248 177 I HN -0.107 6.893 8.210 -2.017 0.000 0.453 178 T N -0.673 113.653 114.554 -0.380 0.000 2.816 178 T HA 0.244 4.454 4.350 -0.233 0.000 0.299 178 T C -1.452 173.163 174.700 -0.142 0.000 1.230 178 T CA -1.136 60.826 62.100 -0.229 0.000 1.007 178 T CB 2.585 71.355 68.868 -0.164 0.000 1.289 178 T HN 0.509 8.447 8.240 -0.269 0.141 0.508 179 N N -0.388 118.264 118.700 -0.080 0.000 2.566 179 N HA 0.041 4.749 4.740 -0.054 0.000 0.221 179 N C -1.608 173.890 175.510 -0.020 0.000 1.363 179 N CA 0.417 53.435 53.050 -0.054 0.000 1.517 179 N CB 0.629 39.078 38.487 -0.064 0.000 1.312 179 N HN 0.236 8.586 8.380 -0.050 0.000 0.601 180 S N 0.373 116.074 115.700 0.002 0.000 2.554 180 S HA 0.123 4.602 4.470 0.015 0.000 0.278 180 S C 0.776 175.391 174.600 0.026 0.000 1.242 180 S CA -1.283 56.930 58.200 0.023 0.000 1.051 180 S CB 1.011 64.241 63.200 0.050 0.000 0.986 180 S HN -0.141 8.171 8.310 0.003 0.000 0.502 181 E N 7.725 127.938 120.200 0.022 0.000 3.057 181 E HA -0.116 4.245 4.350 0.019 0.000 0.314 181 E C -0.590 176.030 176.600 0.032 0.000 1.433 181 E CA 1.305 57.718 56.400 0.022 0.000 1.546 181 E CB -2.144 27.565 29.700 0.016 0.000 1.224 181 E HN 0.611 8.982 8.360 0.018 0.000 0.483 182 E N -2.213 118.015 120.200 0.047 0.000 1.337 182 E HA -0.058 4.322 4.350 0.051 0.000 0.210 182 E C 0.252 176.911 176.600 0.098 0.000 1.024 182 E CA 0.896 57.332 56.400 0.059 0.000 1.046 182 E CB 1.650 31.381 29.700 0.051 0.000 4.653 182 E HN 0.691 8.990 8.360 0.049 0.090 0.704 183 V N 0.387 120.373 119.914 0.119 0.000 3.573 183 V HA -0.171 4.130 4.120 0.302 0.000 0.270 183 V C 0.563 176.755 176.094 0.163 0.000 1.221 183 V CA 0.975 63.408 62.300 0.222 0.000 1.163 183 V CB -0.099 31.856 31.823 0.221 0.000 0.847 183 V HN -0.479 7.665 8.190 0.090 0.100 0.468 184 R N -4.272 116.278 120.500 0.085 0.000 3.657 184 R HA -0.463 3.894 4.340 0.028 0.000 0.533 184 R C -0.452 175.817 176.300 -0.053 0.000 0.241 184 R CA 1.829 57.955 56.100 0.042 0.000 1.659 184 R CB -0.920 29.440 30.300 0.101 0.000 0.920 184 R HN -0.782 7.463 8.270 0.075 0.070 0.599 185 L N -2.635 118.539 121.223 -0.083 0.000 5.886 185 L HA -0.414 3.933 4.340 -0.131 -0.086 0.258 185 L C -0.400 176.383 176.870 -0.144 0.000 1.210 185 L CA 2.409 57.125 54.840 -0.207 0.000 1.438 185 L CB 0.350 42.005 42.059 -0.673 0.000 2.185 185 L HN -0.186 8.045 8.230 0.002 0.000 0.893 186 R N -3.789 116.620 120.500 -0.152 0.000 1.699 186 R HA 0.097 4.491 4.340 -0.120 -0.126 0.038 186 R C -1.633 174.595 176.300 -0.121 0.000 0.814 186 R CA 0.522 56.552 56.100 -0.116 0.000 3.302 186 R CB 1.446 31.701 30.300 -0.076 0.000 0.898 186 R HN -0.072 8.093 8.270 -0.175 0.000 0.560 187 S N -2.055 113.589 115.700 -0.094 0.000 2.543 187 S HA 0.284 4.698 4.470 -0.093 0.000 0.271 187 S C -2.504 172.103 174.600 0.011 0.000 1.148 187 S CA -0.234 57.930 58.200 -0.061 0.000 0.914 187 S CB 2.368 65.531 63.200 -0.062 0.000 1.096 187 S HN -0.381 7.872 8.310 -0.096 0.000 0.471 188 F N 5.346 125.297 119.950 0.001 0.000 2.547 188 F HA 1.046 5.792 4.527 0.149 -0.130 0.316 188 F C -1.495 174.294 175.800 -0.018 0.000 1.121 188 F CA -1.311 56.729 58.000 0.067 0.000 0.911 188 F CB 4.772 43.862 39.000 0.149 0.000 1.179 188 F HN 1.234 9.511 8.300 0.152 0.114 0.443 189 T N 1.249 115.979 114.554 0.292 0.000 2.762 189 T HA 0.595 5.138 4.350 0.084 -0.143 0.301 189 T C -1.396 173.398 174.700 0.156 0.000 1.299 189 T CA -1.441 60.738 62.100 0.132 0.000 1.005 189 T CB 3.145 72.052 68.868 0.065 0.000 1.377 189 T HN 1.126 9.388 8.240 0.234 0.118 0.504 190 T N 2.650 117.283 114.554 0.131 0.000 3.172 190 T HA 0.630 5.436 4.350 0.443 -0.190 0.320 190 T C -1.205 173.646 174.700 0.253 0.000 1.085 190 T CA -0.268 62.035 62.100 0.339 0.000 1.052 190 T CB 2.408 71.603 68.868 0.545 0.000 1.107 190 T HN 0.133 8.386 8.240 0.023 0.000 0.458 191 T N 2.825 117.607 114.554 0.380 0.000 2.893 191 T HA 0.521 5.198 4.350 0.279 -0.159 0.291 191 T C -1.821 173.105 174.700 0.377 0.000 1.028 191 T CA -2.059 60.224 62.100 0.305 0.000 0.995 191 T CB 2.935 71.839 68.868 0.059 0.000 1.051 191 T HN 1.287 9.635 8.240 0.399 0.132 0.470 192 I N 2.940 123.702 120.570 0.320 0.000 2.307 192 I HA -0.034 4.177 4.170 -0.077 -0.087 0.287 192 I C -1.437 174.579 176.117 -0.170 0.000 1.054 192 I CA -1.039 60.247 61.300 -0.023 0.000 1.218 192 I CB 0.688 38.585 38.000 -0.170 0.000 1.398 192 I HN 0.240 8.677 8.210 0.379 0.000 0.475 193 H N 8.080 126.964 119.070 -0.311 0.000 2.525 193 H HA 0.143 4.447 4.556 -0.420 0.000 0.339 193 H C -1.329 173.652 175.328 -0.578 0.000 1.109 193 H CA -0.935 54.733 56.048 -0.632 0.000 1.352 193 H CB 2.305 31.111 29.762 -1.592 0.000 1.461 193 H HN 0.081 8.268 8.280 -0.113 0.024 0.533 194 K N 2.953 123.233 120.400 -0.201 0.000 2.138 194 K HA 0.339 4.555 4.320 -0.175 0.000 0.263 194 K C -1.320 175.181 176.600 -0.165 0.000 0.965 194 K CA -1.539 54.647 56.287 -0.167 0.000 0.868 194 K CB 1.861 34.308 32.500 -0.089 0.000 1.083 194 K HN 0.184 8.416 8.250 -0.031 0.000 0.443 195 V N 2.324 122.179 119.914 -0.098 0.000 3.040 195 V HA 0.167 4.263 4.120 -0.040 0.000 0.312 195 V C -1.647 174.431 176.094 -0.027 0.000 1.115 195 V CA -3.173 59.107 62.300 -0.033 0.000 0.998 195 V CB 3.574 35.434 31.823 0.060 0.000 1.042 195 V HN -0.108 7.937 8.190 -0.093 0.089 0.433 196 N N 3.333 122.023 118.700 -0.016 0.000 2.524 196 N HA 0.005 4.732 4.740 -0.022 0.000 0.261 196 N C -0.931 174.571 175.510 -0.013 0.000 0.998 196 N CA -0.683 52.357 53.050 -0.017 0.000 0.915 196 N CB 0.643 39.120 38.487 -0.016 0.000 1.187 196 N HN 0.197 8.571 8.380 -0.010 0.000 0.507 197 S N 0.000 115.692 115.700 -0.014 0.000 2.498 197 S HA 0.000 4.568 4.470 -0.014 -0.106 0.327 197 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 197 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 197 S HN 0.000 8.630 8.310 -0.018 -0.331 0.517