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 1xr0_1_B DATA FIRST_RESID 8 DATA SEQUENCE MGSDTVPDNH RNKFKVINVD DDGNELGSGI MELTDTELIL YTRKRDSVKW DATA SEQUENCE HYLCLRRYGY DSNLFSFESG RRCQTGQGIF AFKCARAEEL FNMLQEIMQN DATA SEQUENCE NSINVVEEPV VERNNHQTEL EVPRTPRTP 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 8 M HA 0.000 4.489 4.480 0.015 0.000 0.227 8 M C 0.000 176.309 176.300 0.015 0.000 1.140 8 M CA 0.000 55.307 55.300 0.011 0.000 0.988 8 M CB 0.000 32.604 32.600 0.006 0.000 1.302 9 G N 2.050 110.856 108.800 0.010 0.000 3.363 9 G HA2 -0.137 3.828 3.960 0.008 0.000 0.685 9 G HA3 -0.137 3.831 3.960 0.014 0.000 0.685 9 G C -1.405 173.501 174.900 0.011 0.000 1.199 9 G CA -0.775 44.331 45.100 0.011 0.000 0.946 9 G HN -0.033 8.262 8.290 0.007 0.000 0.558 10 S N 2.557 118.262 115.700 0.007 0.000 2.695 10 S HA 0.213 4.688 4.470 0.007 0.000 0.275 10 S C -1.065 173.540 174.600 0.007 0.000 1.203 10 S CA 0.122 58.326 58.200 0.007 0.000 1.061 10 S CB 0.148 63.351 63.200 0.004 0.000 1.152 10 S HN 0.218 8.532 8.310 0.006 0.000 0.495 11 D N 5.216 125.622 120.400 0.010 0.000 3.091 11 D HA 0.141 4.785 4.640 0.007 0.000 0.306 11 D C -1.800 174.507 176.300 0.012 0.000 1.660 11 D CA 0.537 54.542 54.000 0.009 0.000 0.795 11 D CB 0.982 41.787 40.800 0.008 0.000 1.331 11 D HN 0.175 8.552 8.370 0.012 0.000 0.490 12 T N -0.845 113.717 114.554 0.013 0.000 3.860 12 T HA -0.290 4.068 4.350 0.013 0.000 0.378 12 T C -1.202 173.513 174.700 0.024 0.000 0.761 12 T CA 1.179 63.288 62.100 0.015 0.000 2.004 12 T CB -2.128 66.747 68.868 0.012 0.000 1.778 12 T HN 0.071 8.317 8.240 0.011 0.000 0.801 13 V N 3.256 123.189 119.914 0.032 0.000 2.350 13 V HA 0.356 4.509 4.120 0.056 0.000 0.285 13 V C -1.415 174.722 176.094 0.071 0.000 1.014 13 V CA -2.347 59.986 62.300 0.055 0.000 0.831 13 V CB 1.239 33.096 31.823 0.057 0.000 1.000 13 V HN -0.131 8.075 8.190 0.026 0.000 0.433 14 P HA 0.244 4.664 4.420 0.000 0.000 0.274 14 P C -1.105 176.192 177.300 -0.005 0.000 1.256 14 P CA -0.677 62.446 63.100 0.038 0.000 0.795 14 P CB 2.600 34.324 31.700 0.040 0.000 1.038 15 D N -2.595 117.659 120.400 -0.244 0.000 2.454 15 D HA -0.039 4.178 4.640 -0.705 0.000 0.219 15 D C -0.607 175.143 176.300 -0.916 0.000 1.081 15 D CA 0.514 54.165 54.000 -0.581 0.000 0.867 15 D CB 0.765 41.420 40.800 -0.241 0.000 1.054 15 D HN 0.180 8.447 8.370 -0.173 0.000 0.500 16 N N 1.397 119.813 118.700 -0.473 0.000 2.736 16 N HA -0.157 4.436 4.740 -0.245 0.000 0.307 16 N C -0.817 174.562 175.510 -0.218 0.000 1.212 16 N CA 1.157 54.037 53.050 -0.283 0.000 1.158 16 N CB -1.417 36.995 38.487 -0.124 0.000 1.460 16 N HN 0.256 8.455 8.380 -0.301 0.000 0.514 17 H N -0.722 118.338 119.070 -0.017 0.000 3.385 17 H HA 0.206 4.753 4.556 -0.014 0.000 0.205 17 H C -1.861 173.454 175.328 -0.023 0.000 1.317 17 H CA -0.893 55.146 56.048 -0.015 0.000 1.289 17 H CB 0.164 29.922 29.762 -0.006 0.000 2.427 17 H HN 0.248 8.208 8.280 -0.472 0.036 0.522 18 R N 0.240 120.783 120.500 0.072 0.000 2.451 18 R HA 0.310 4.695 4.340 0.074 0.000 0.307 18 R C -0.956 175.309 176.300 -0.059 0.000 0.965 18 R CA -0.694 55.424 56.100 0.030 0.000 0.865 18 R CB 1.394 31.692 30.300 -0.002 0.000 1.174 18 R HN -0.365 7.907 8.270 0.002 0.000 0.455 19 N N 5.734 124.370 118.700 -0.106 0.000 2.664 19 N HA 0.196 4.758 4.740 -0.296 0.000 0.257 19 N C -1.324 173.883 175.510 -0.506 0.000 1.108 19 N CA -0.424 52.465 53.050 -0.268 0.000 0.822 19 N CB 1.025 39.424 38.487 -0.146 0.000 1.199 19 N HN 0.329 8.672 8.380 -0.062 0.000 0.529 20 K N -0.400 119.613 120.400 -0.645 0.000 2.312 20 K HA 0.902 4.923 4.320 -0.640 -0.085 0.236 20 K C -1.360 174.542 176.600 -1.163 0.000 1.079 20 K CA -2.007 53.868 56.287 -0.686 0.000 0.900 20 K CB 2.808 35.192 32.500 -0.194 0.000 1.297 20 K HN -0.116 7.826 8.250 -0.512 0.000 0.498 21 F N -2.573 117.334 119.950 -0.071 0.000 2.689 21 F HA 0.085 4.590 4.527 -0.036 0.000 0.332 21 F C -0.826 174.941 175.800 -0.055 0.000 1.209 21 F CA -0.675 57.280 58.000 -0.076 0.000 1.028 21 F CB 3.608 42.524 39.000 -0.140 0.000 1.291 21 F HN 0.702 8.857 8.300 -0.177 0.038 0.500 22 K N 7.365 127.856 120.400 0.152 0.000 1.948 22 K HA -0.129 4.393 4.320 0.109 -0.137 0.231 22 K C -1.129 175.564 176.600 0.156 0.000 1.136 22 K CA 0.579 56.942 56.287 0.126 0.000 1.185 22 K CB -0.970 31.594 32.500 0.107 0.000 1.090 22 K HN 0.459 8.802 8.250 0.156 0.000 0.302 23 V N -0.550 119.453 119.914 0.148 0.000 2.567 23 V HA 0.231 4.514 4.120 0.272 0.000 0.289 23 V C -1.024 175.355 176.094 0.474 0.000 1.049 23 V CA -3.496 58.960 62.300 0.259 0.000 0.969 23 V CB 1.275 33.126 31.823 0.046 0.000 0.995 23 V HN -0.011 8.216 8.190 0.087 0.016 0.471 24 I N 4.282 125.163 120.570 0.519 0.000 2.371 24 I HA 0.032 4.393 4.170 0.319 0.000 0.290 24 I C -1.546 174.739 176.117 0.281 0.000 1.028 24 I CA -0.245 61.277 61.300 0.370 0.000 1.345 24 I CB 0.834 38.950 38.000 0.194 0.000 1.407 24 I HN -0.133 8.296 8.210 0.458 0.056 0.501 25 N N 7.144 125.922 118.700 0.130 0.000 2.402 25 N HA -0.002 3.901 4.740 -1.396 0.000 0.252 25 N C -0.619 174.738 175.510 -0.255 0.000 1.118 25 N CA -1.113 51.725 53.050 -0.353 0.000 0.945 25 N CB -0.659 37.828 38.487 0.000 0.000 1.147 25 N HN 0.315 8.837 8.380 0.237 0.000 0.495 26 V N -1.894 117.805 119.914 -0.359 0.000 2.834 26 V HA 0.359 4.422 4.120 -0.093 0.000 0.313 26 V C -1.293 174.727 176.094 -0.125 0.000 1.060 26 V CA -1.845 60.359 62.300 -0.161 0.000 0.989 26 V CB 2.142 33.901 31.823 -0.107 0.000 1.041 26 V HN -0.561 7.244 8.190 -0.643 0.000 0.459 27 D N 0.640 121.005 120.400 -0.059 0.000 2.539 27 D HA 0.001 4.625 4.640 -0.026 0.000 0.276 27 D C 0.445 176.733 176.300 -0.020 0.000 1.206 27 D CA -1.744 52.238 54.000 -0.029 0.000 1.081 27 D CB 0.734 41.526 40.800 -0.013 0.000 1.142 27 D HN -0.273 8.069 8.370 -0.045 0.000 0.595 28 D N -2.330 118.066 120.400 -0.007 0.000 2.137 28 D HA -0.307 4.329 4.640 -0.007 0.000 0.189 28 D C 1.444 177.737 176.300 -0.012 0.000 0.998 28 D CA 2.599 56.594 54.000 -0.007 0.000 0.839 28 D CB 0.109 40.907 40.800 -0.003 0.000 0.962 28 D HN 0.138 8.507 8.370 -0.001 0.000 0.446 29 D N -3.120 117.275 120.400 -0.010 0.000 2.092 29 D HA -0.222 4.412 4.640 -0.010 0.000 0.193 29 D C 0.830 177.123 176.300 -0.012 0.000 0.994 29 D CA 0.938 54.932 54.000 -0.010 0.000 0.828 29 D CB 0.472 41.268 40.800 -0.006 0.000 0.963 29 D HN -0.232 8.133 8.370 -0.007 0.000 0.450 30 G N -2.455 106.336 108.800 -0.014 0.000 2.427 30 G HA2 -0.343 3.664 3.960 -0.025 0.000 0.193 30 G HA3 -0.343 3.609 3.960 -0.014 0.000 0.193 30 G C -1.111 173.784 174.900 -0.008 0.000 1.086 30 G CA -0.371 44.720 45.100 -0.016 0.000 0.818 30 G HN 0.087 8.709 8.290 -0.014 -0.341 0.490 31 N N 0.480 119.176 118.700 -0.007 0.000 2.273 31 N HA 0.089 4.830 4.740 0.003 0.000 0.231 31 N C -1.161 174.352 175.510 0.004 0.000 1.134 31 N CA -1.667 51.383 53.050 0.000 0.000 0.856 31 N CB 0.693 39.180 38.487 0.001 0.000 1.068 31 N HN -0.443 8.198 8.380 -0.010 -0.268 0.510 32 E N -4.543 115.656 120.200 -0.001 0.000 7.817 32 E HA -0.346 4.002 4.350 -0.004 0.000 0.465 32 E C -1.233 175.371 176.600 0.007 0.000 0.577 32 E CA 1.037 57.440 56.400 0.006 0.000 1.011 32 E CB -0.751 28.965 29.700 0.026 0.000 0.978 32 E HN -0.110 8.163 8.360 -0.009 0.082 0.274 33 L N 1.295 122.523 121.223 0.009 0.000 2.541 33 L HA 0.155 4.504 4.340 0.014 0.000 0.187 33 L C 0.498 177.389 176.870 0.035 0.000 1.098 33 L CA 0.722 55.572 54.840 0.016 0.000 0.846 33 L CB 0.821 42.885 42.059 0.007 0.000 1.151 33 L HN 0.208 8.442 8.230 0.007 0.000 0.492 34 G N -1.145 107.688 108.800 0.054 0.000 3.193 34 G HA2 0.121 4.116 3.960 0.058 0.000 0.186 34 G HA3 0.121 4.126 3.960 0.075 0.000 0.186 34 G C -2.215 172.744 174.900 0.099 0.000 1.536 34 G CA -0.233 44.909 45.100 0.071 0.000 0.943 34 G HN 0.048 8.753 8.290 0.054 -0.382 0.781 35 S N 1.160 116.941 115.700 0.134 0.000 2.679 35 S HA -0.004 4.598 4.470 0.220 0.000 0.326 35 S C -1.695 173.013 174.600 0.180 0.000 0.851 35 S CA 0.338 58.639 58.200 0.169 0.000 0.787 35 S CB 0.549 63.823 63.200 0.125 0.000 1.027 35 S HN -0.214 8.177 8.310 0.134 0.000 0.496 36 G N 2.681 111.624 108.800 0.238 0.000 2.630 36 G HA2 0.717 4.758 3.960 0.172 0.000 0.296 36 G HA3 0.717 4.926 3.960 0.230 -0.111 0.296 36 G C -2.797 172.199 174.900 0.159 0.000 1.285 36 G CA -1.229 43.992 45.100 0.202 0.000 0.958 36 G HN 0.609 9.086 8.290 0.311 0.000 0.479 37 I N 0.677 121.352 120.570 0.176 0.000 2.306 37 I HA 0.117 4.463 4.170 0.104 -0.114 0.288 37 I C -1.313 174.855 176.117 0.086 0.000 1.036 37 I CA -2.147 59.254 61.300 0.168 0.000 1.221 37 I CB -0.285 37.862 38.000 0.245 0.000 1.385 37 I HN -0.216 8.041 8.210 0.232 0.092 0.472 38 M N 9.959 129.519 119.600 -0.066 0.000 2.227 38 M HA -0.007 4.329 4.480 -0.240 0.000 0.349 38 M C -2.127 174.058 176.300 -0.192 0.000 1.443 38 M CA -1.349 53.824 55.300 -0.212 0.000 1.110 38 M CB 0.059 32.424 32.600 -0.392 0.000 1.773 38 M HN 0.511 8.679 8.290 -0.039 0.099 0.463 39 E N 7.312 127.359 120.200 -0.255 0.000 2.187 39 E HA 0.320 4.551 4.350 -0.197 0.000 0.268 39 E C -2.012 174.458 176.600 -0.217 0.000 0.896 39 E CA -1.439 54.827 56.400 -0.223 0.000 0.766 39 E CB 3.550 33.105 29.700 -0.241 0.000 1.142 39 E HN 0.426 8.489 8.360 -0.314 0.108 0.408 40 L N 6.100 127.239 121.223 -0.141 0.000 2.709 40 L HA 0.598 4.916 4.340 -0.295 -0.154 0.236 40 L C 0.299 177.180 176.870 0.020 0.000 1.266 40 L CA -1.385 53.418 54.840 -0.061 0.000 0.987 40 L CB -1.198 40.969 42.059 0.181 0.000 1.306 40 L HN -0.081 8.062 8.230 -0.143 0.000 0.467 41 T N -0.698 113.787 114.554 -0.114 0.000 2.704 41 T HA -0.240 4.112 4.350 0.003 0.000 0.389 41 T C 0.790 175.562 174.700 0.120 0.000 1.067 41 T CA 0.388 62.475 62.100 -0.023 0.000 1.082 41 T CB 1.305 70.131 68.868 -0.069 0.000 1.171 41 T HN -0.548 7.556 8.240 -0.228 0.000 0.518 42 D N -1.501 118.949 120.400 0.083 0.000 2.312 42 D HA -0.110 4.611 4.640 0.134 0.000 0.211 42 D C -0.192 176.239 176.300 0.218 0.000 0.964 42 D CA 1.886 55.959 54.000 0.121 0.000 0.877 42 D CB 0.065 40.881 40.800 0.026 0.000 0.924 42 D HN 0.423 8.802 8.370 0.015 0.000 0.515 43 T N -5.539 109.136 114.554 0.201 0.000 4.487 43 T HA 0.130 4.783 4.350 0.505 0.000 0.232 43 T C -1.926 172.798 174.700 0.039 0.000 0.941 43 T CA -0.543 61.700 62.100 0.238 0.000 1.315 43 T CB 0.078 69.032 68.868 0.143 0.000 0.851 43 T HN -0.511 7.730 8.240 0.082 0.049 0.559 44 E N -0.636 119.289 120.200 -0.458 0.000 2.745 44 E HA 0.122 4.443 4.350 -0.259 -0.127 0.306 44 E C -3.213 172.907 176.600 -0.799 0.000 1.090 44 E CA 0.745 56.864 56.400 -0.469 0.000 0.893 44 E CB 3.350 32.947 29.700 -0.171 0.000 1.205 44 E HN -0.483 7.353 8.360 -0.873 0.000 0.438 45 L N 4.744 125.708 121.223 -0.432 0.000 2.657 45 L HA 0.360 4.674 4.340 -0.370 -0.196 0.239 45 L C -0.700 176.175 176.870 0.007 0.000 1.215 45 L CA -1.469 53.264 54.840 -0.178 0.000 1.161 45 L CB 0.207 42.372 42.059 0.178 0.000 1.436 45 L HN -0.105 8.032 8.230 -0.156 0.000 0.414 46 I N 3.488 123.917 120.570 -0.235 0.000 2.406 46 I HA -0.172 3.821 4.170 -0.296 0.000 0.293 46 I C -1.234 174.570 176.117 -0.522 0.000 1.101 46 I CA 0.161 61.229 61.300 -0.387 0.000 1.334 46 I CB -0.281 37.403 38.000 -0.526 0.000 1.421 46 I HN -0.504 7.478 8.210 -0.304 0.046 0.513 47 L N 10.351 131.401 121.223 -0.288 0.000 2.352 47 L HA 0.298 4.629 4.340 -0.232 -0.130 0.272 47 L C -1.126 175.642 176.870 -0.171 0.000 1.109 47 L CA -1.814 52.920 54.840 -0.176 0.000 0.952 47 L CB -0.531 41.612 42.059 0.140 0.000 1.314 47 L HN 0.141 8.106 8.230 -0.217 0.134 0.427 48 Y N 5.772 126.063 120.300 -0.015 0.000 2.683 48 Y HA -0.125 4.412 4.550 -0.022 0.000 0.340 48 Y C 0.461 176.378 175.900 0.027 0.000 1.245 48 Y CA 1.902 59.996 58.100 -0.009 0.000 1.485 48 Y CB 0.297 38.745 38.460 -0.020 0.000 1.328 48 Y HN 0.472 8.413 8.280 -0.565 0.000 0.603 49 T N -1.250 113.417 114.554 0.189 0.000 3.087 49 T HA 0.189 4.628 4.350 0.149 0.000 0.351 49 T C -0.359 174.398 174.700 0.095 0.000 1.520 49 T CA -0.625 61.557 62.100 0.138 0.000 1.111 49 T CB 1.422 70.371 68.868 0.134 0.000 1.353 49 T HN 0.153 8.509 8.240 0.194 0.000 0.481 50 R N 7.880 128.428 120.500 0.079 0.000 3.863 50 R HA -0.402 3.967 4.340 0.049 0.000 0.313 50 R C -1.068 175.256 176.300 0.040 0.000 1.202 50 R CA 1.175 57.306 56.100 0.053 0.000 0.852 50 R CB -0.784 29.543 30.300 0.045 0.000 1.292 50 R HN 0.999 9.323 8.270 0.089 0.000 0.519 51 K N -4.292 116.134 120.400 0.044 0.000 2.960 51 K HA -0.245 4.081 4.320 0.010 0.000 0.259 51 K C -0.614 175.998 176.600 0.020 0.000 1.025 51 K CA 1.493 57.792 56.287 0.019 0.000 0.756 51 K CB -1.169 31.331 32.500 0.000 0.000 1.221 51 K HN 0.281 8.518 8.250 0.061 0.050 0.483 52 R N -4.186 116.337 120.500 0.037 0.000 3.709 52 R HA 0.061 4.414 4.340 0.021 0.000 0.111 52 R C -0.620 175.698 176.300 0.030 0.000 0.726 52 R CA 0.592 56.708 56.100 0.027 0.000 1.576 52 R CB 2.424 32.733 30.300 0.016 0.000 1.644 52 R HN -0.184 8.075 8.270 0.052 0.042 0.456 53 D N 2.485 122.903 120.400 0.031 0.000 2.348 53 D HA 0.070 4.706 4.640 -0.007 0.000 0.253 53 D C -1.435 174.873 176.300 0.014 0.000 1.161 53 D CA 1.128 55.135 54.000 0.011 0.000 0.876 53 D CB 1.121 41.926 40.800 0.008 0.000 1.160 53 D HN -0.255 8.137 8.370 0.036 0.000 0.459 54 S N 3.467 119.145 115.700 -0.037 0.000 2.622 54 S HA 0.264 4.823 4.470 -0.059 -0.125 0.283 54 S C -0.185 174.280 174.600 -0.225 0.000 1.197 54 S CA -1.385 56.761 58.200 -0.090 0.000 1.146 54 S CB 0.513 63.677 63.200 -0.060 0.000 1.007 54 S HN 0.298 8.576 8.310 -0.053 0.000 0.478 55 V N 5.419 125.167 119.914 -0.277 0.000 2.157 55 V HA -0.031 3.731 4.120 -0.596 0.000 0.241 55 V C -1.192 174.383 176.094 -0.865 0.000 1.349 55 V CA -1.106 60.843 62.300 -0.584 0.000 1.319 55 V CB -2.547 28.996 31.823 -0.467 0.000 1.421 55 V HN 0.196 8.284 8.190 -0.171 0.000 0.501 56 K N 3.370 123.372 120.400 -0.664 0.000 2.265 56 K HA 0.567 4.934 4.320 -0.242 -0.191 0.267 56 K C -0.757 175.625 176.600 -0.364 0.000 0.994 56 K CA -1.377 54.666 56.287 -0.406 0.000 0.860 56 K CB 1.482 33.830 32.500 -0.253 0.000 1.099 56 K HN -0.292 7.608 8.250 -0.533 0.031 0.448 57 W N 2.328 123.645 121.300 0.029 0.000 2.380 57 W HA 0.098 4.811 4.660 0.089 0.000 0.441 57 W C -0.118 176.467 176.519 0.110 0.000 1.762 57 W CA -1.216 56.187 57.345 0.097 0.000 1.905 57 W CB 1.611 31.183 29.460 0.186 0.000 1.624 57 W HN 0.175 8.701 8.180 0.577 0.000 0.717 58 H N -0.955 118.296 119.070 0.302 0.000 2.605 58 H HA 0.054 4.830 4.556 0.112 -0.153 0.308 58 H C 0.034 175.519 175.328 0.261 0.000 1.080 58 H CA -0.557 55.603 56.048 0.186 0.000 1.119 58 H CB -0.614 29.238 29.762 0.149 0.000 1.479 58 H HN 0.283 8.903 8.280 0.566 0.000 0.537 59 Y N -3.312 117.104 120.300 0.193 0.000 2.783 59 Y HA -0.546 4.052 4.550 0.079 0.000 0.474 59 Y C 0.127 176.023 175.900 -0.006 0.000 1.145 59 Y CA 3.387 61.514 58.100 0.045 0.000 2.768 59 Y CB -1.412 37.005 38.460 -0.072 0.000 1.125 59 Y HN 0.037 8.406 8.280 0.323 0.104 0.605 60 L N -4.127 117.174 121.223 0.130 0.000 2.599 60 L HA 0.125 4.450 4.340 -0.024 0.000 0.230 60 L C -0.000 176.908 176.870 0.064 0.000 1.141 60 L CA 0.957 55.805 54.840 0.014 0.000 0.877 60 L CB -0.439 41.581 42.059 -0.066 0.000 1.009 60 L HN -0.271 7.986 8.230 0.090 0.027 0.447 61 C N -2.069 117.326 119.300 0.157 0.000 2.466 61 C HA -0.192 4.363 4.460 0.158 0.000 0.283 61 C C 0.164 175.227 174.990 0.122 0.000 1.472 61 C CA 0.273 59.404 59.018 0.189 0.000 1.765 61 C CB -0.523 27.410 27.740 0.322 0.000 1.724 61 C HN -0.176 7.991 8.230 0.215 0.192 0.560 62 L N -1.753 119.508 121.223 0.063 0.000 2.240 62 L HA -0.296 3.999 4.340 -0.076 0.000 0.166 62 L C 1.580 178.440 176.870 -0.017 0.000 0.893 62 L CA 2.361 57.191 54.840 -0.018 0.000 1.058 62 L CB -0.491 41.566 42.059 -0.003 0.000 1.371 62 L HN -1.052 7.151 8.230 0.080 0.075 0.480 63 R N -3.143 117.336 120.500 -0.035 0.000 3.071 63 R HA 0.176 4.510 4.340 -0.011 0.000 0.138 63 R C -1.472 174.828 176.300 0.000 0.000 0.826 63 R CA -0.086 55.998 56.100 -0.026 0.000 1.659 63 R CB 3.892 34.157 30.300 -0.057 0.000 1.678 63 R HN 0.097 8.347 8.270 -0.033 0.000 0.514 64 R N -3.385 117.124 120.500 0.014 0.000 2.542 64 R HA 0.350 4.762 4.340 0.120 0.000 0.284 64 R C -2.849 173.555 176.300 0.173 0.000 1.167 64 R CA -0.715 55.435 56.100 0.084 0.000 1.000 64 R CB 1.822 32.145 30.300 0.039 0.000 1.229 64 R HN -0.514 7.741 8.270 -0.025 0.000 0.416 65 Y N 3.456 123.809 120.300 0.088 0.000 2.393 65 Y HA 0.202 4.861 4.550 0.181 0.000 0.341 65 Y C -2.186 173.951 175.900 0.395 0.000 0.988 65 Y CA -2.068 56.158 58.100 0.209 0.000 1.078 65 Y CB 2.193 40.783 38.460 0.218 0.000 1.203 65 Y HN 0.043 8.593 8.280 0.451 0.000 0.453 66 G N 2.731 111.599 108.800 0.113 0.000 2.921 66 G HA2 0.335 4.425 3.960 0.217 0.000 0.291 66 G HA3 0.335 4.318 3.960 0.038 0.000 0.291 66 G C -3.676 171.169 174.900 -0.093 0.000 1.370 66 G CA -1.104 44.030 45.100 0.056 0.000 0.847 66 G HN 0.449 8.723 8.290 0.165 0.115 0.532 67 Y N -4.533 115.382 120.300 -0.643 0.000 2.573 67 Y HA 0.728 5.246 4.550 -0.272 -0.131 0.328 67 Y C -2.798 172.863 175.900 -0.398 0.000 1.170 67 Y CA -2.180 55.596 58.100 -0.539 0.000 1.078 67 Y CB 2.982 40.950 38.460 -0.821 0.000 1.341 67 Y HN -0.183 7.960 8.280 -0.228 0.000 0.459 68 D N 4.380 124.533 120.400 -0.412 0.000 2.454 68 D HA 0.228 4.516 4.640 -0.585 0.000 0.247 68 D C 0.082 176.176 176.300 -0.343 0.000 1.129 68 D CA -1.921 51.825 54.000 -0.424 0.000 0.877 68 D CB 0.405 41.073 40.800 -0.221 0.000 1.082 68 D HN -0.076 8.184 8.370 -0.184 0.000 0.537 69 S N 6.291 121.715 115.700 -0.461 0.000 4.158 69 S HA -0.489 3.827 4.470 -0.257 0.000 0.535 69 S C -1.006 173.525 174.600 -0.116 0.000 1.843 69 S CA 2.754 60.805 58.200 -0.248 0.000 4.225 69 S CB -0.670 62.439 63.200 -0.151 0.000 0.460 69 S HN 0.546 8.433 8.310 -0.705 0.000 0.454 70 N N 1.693 120.358 118.700 -0.058 0.000 2.480 70 N HA 0.264 5.025 4.740 0.033 0.000 0.281 70 N C -2.025 173.519 175.510 0.055 0.000 1.381 70 N CA -0.362 52.696 53.050 0.014 0.000 0.903 70 N CB 1.388 39.885 38.487 0.016 0.000 1.274 70 N HN -0.253 8.071 8.380 -0.074 0.012 0.505 71 L N -0.202 121.053 121.223 0.054 0.000 2.372 71 L HA 0.437 5.003 4.340 0.160 -0.130 0.274 71 L C -2.404 174.593 176.870 0.212 0.000 0.988 71 L CA -1.048 53.860 54.840 0.114 0.000 0.833 71 L CB 3.061 45.140 42.059 0.034 0.000 1.236 71 L HN -0.941 7.132 8.230 -0.004 0.154 0.410 72 F N 8.753 128.797 119.950 0.156 0.000 2.413 72 F HA 0.263 4.874 4.527 0.141 0.000 0.359 72 F C -2.147 173.838 175.800 0.307 0.000 1.122 72 F CA -2.459 55.650 58.000 0.182 0.000 1.160 72 F CB 0.642 39.705 39.000 0.106 0.000 1.146 72 F HN 0.314 8.777 8.300 0.431 0.096 0.514 73 S N 8.872 124.532 115.700 -0.067 0.000 2.449 73 S HA 0.678 5.286 4.470 -0.059 -0.173 0.310 73 S C -1.426 173.176 174.600 0.003 0.000 1.096 73 S CA -2.058 56.095 58.200 -0.079 0.000 1.095 73 S CB 2.091 65.293 63.200 0.002 0.000 1.007 73 S HN 0.270 8.666 8.310 0.143 0.000 0.474 74 F N -0.046 119.707 119.950 -0.328 0.000 2.604 74 F HA 0.499 5.057 4.527 0.052 0.000 0.316 74 F C -2.737 172.962 175.800 -0.168 0.000 1.136 74 F CA -1.814 56.118 58.000 -0.112 0.000 0.989 74 F CB 3.268 42.240 39.000 -0.046 0.000 1.258 74 F HN 0.174 8.631 8.300 0.263 0.000 0.451 75 E N 4.270 124.245 120.200 -0.375 0.000 2.199 75 E HA 0.432 3.961 4.350 -1.369 0.000 0.265 75 E C -1.804 174.498 176.600 -0.497 0.000 0.882 75 E CA -1.633 54.342 56.400 -0.709 0.000 0.759 75 E CB 4.026 33.459 29.700 -0.446 0.000 1.148 75 E HN -0.042 8.266 8.360 -0.086 0.000 0.412 76 S N 6.071 121.425 115.700 -0.576 0.000 2.500 76 S HA 0.368 4.695 4.470 -0.151 0.053 0.301 76 S C -0.070 174.475 174.600 -0.091 0.000 1.092 76 S CA -1.722 56.352 58.200 -0.210 0.000 1.030 76 S CB 2.902 66.033 63.200 -0.115 0.000 1.031 76 S HN -0.151 7.566 8.310 -0.987 0.000 0.483 77 G N 1.217 110.007 108.800 -0.017 0.000 2.744 77 G HA2 -0.267 3.827 3.960 -0.030 0.000 0.257 77 G HA3 -0.267 3.706 3.960 0.021 0.000 0.257 77 G C -0.530 174.412 174.900 0.071 0.000 1.244 77 G CA -0.598 44.508 45.100 0.010 0.000 0.916 77 G HN -0.130 8.156 8.290 -0.006 0.000 0.564 78 R N 0.428 120.963 120.500 0.058 0.000 2.502 78 R HA -0.174 4.223 4.340 0.095 0.000 0.292 78 R C -0.294 176.066 176.300 0.100 0.000 0.998 78 R CA 1.697 57.844 56.100 0.078 0.000 1.056 78 R CB 0.195 30.525 30.300 0.050 0.000 0.939 78 R HN 0.267 8.557 8.270 0.033 0.000 0.411 79 R N 3.255 123.828 120.500 0.121 0.000 5.266 79 R HA 0.110 4.500 4.340 0.084 0.000 0.074 79 R C -1.471 174.874 176.300 0.075 0.000 0.697 79 R CA 0.174 56.340 56.100 0.110 0.000 1.217 79 R CB 0.720 31.122 30.300 0.171 0.000 1.389 79 R HN 0.349 8.698 8.270 0.132 0.000 0.392 80 C N -3.111 116.238 119.300 0.082 0.000 3.301 80 C HA 0.032 4.513 4.460 0.035 0.000 0.324 80 C C -1.243 173.743 174.990 -0.005 0.000 1.543 80 C CA 0.077 59.110 59.018 0.025 0.000 1.114 80 C CB 0.555 28.285 27.740 -0.017 0.000 1.760 80 C HN -0.429 7.884 8.230 0.139 0.000 0.402 81 Q N -2.271 117.486 119.800 -0.072 0.000 1.945 81 Q HA -0.404 3.854 4.340 -0.137 0.000 0.247 81 Q C 0.467 176.438 176.000 -0.047 0.000 2.684 81 Q CA 2.431 58.157 55.803 -0.129 0.000 0.607 81 Q CB -1.116 27.431 28.738 -0.318 0.000 1.195 81 Q HN 0.368 8.599 8.270 -0.065 0.000 0.526 82 T N -2.415 112.145 114.554 0.009 0.000 3.038 82 T HA 0.203 4.573 4.350 0.033 0.000 0.244 82 T C 0.699 175.473 174.700 0.122 0.000 1.016 82 T CA 0.429 62.565 62.100 0.061 0.000 1.098 82 T CB 2.203 71.101 68.868 0.051 0.000 0.954 82 T HN 0.027 8.268 8.240 0.029 0.017 0.469 83 G N 1.097 110.010 108.800 0.189 0.000 2.302 83 G HA2 -0.189 3.850 3.960 0.131 0.000 0.276 83 G HA3 -0.189 3.858 3.960 0.144 0.000 0.276 83 G C -2.660 172.383 174.900 0.238 0.000 1.316 83 G CA -0.505 44.701 45.100 0.176 0.000 0.988 83 G HN -0.764 7.664 8.290 0.230 0.000 0.479 84 Q N 1.797 121.681 119.800 0.141 0.000 2.230 84 Q HA 0.122 4.517 4.340 0.090 0.000 0.253 84 Q C 0.263 176.271 176.000 0.014 0.000 0.919 84 Q CA -0.327 55.522 55.803 0.076 0.000 0.908 84 Q CB 1.355 30.115 28.738 0.036 0.000 1.245 84 Q HN 0.043 8.377 8.270 0.106 0.000 0.437 85 G N 3.745 112.462 108.800 -0.139 0.000 2.369 85 G HA2 -0.120 3.732 3.960 -0.180 0.000 0.295 85 G HA3 -0.120 3.771 3.960 -0.115 0.000 0.295 85 G C -3.103 171.439 174.900 -0.596 0.000 1.298 85 G CA -0.380 44.583 45.100 -0.228 0.000 0.940 85 G HN -0.152 8.023 8.290 -0.192 0.000 0.536 86 I N -0.065 120.233 120.570 -0.453 0.000 2.612 86 I HA -0.049 3.635 4.170 -0.810 0.000 0.295 86 I C -0.974 174.877 176.117 -0.445 0.000 1.011 86 I CA -0.034 60.931 61.300 -0.558 0.000 1.326 86 I CB 0.909 38.755 38.000 -0.258 0.000 1.427 86 I HN -0.100 7.958 8.210 -0.253 0.000 0.537 87 F N 3.294 123.135 119.950 -0.182 0.000 2.508 87 F HA 0.339 4.823 4.527 -0.071 0.000 0.325 87 F C -1.306 174.496 175.800 0.003 0.000 1.090 87 F CA -2.230 55.717 58.000 -0.088 0.000 0.945 87 F CB 2.237 41.154 39.000 -0.138 0.000 1.156 87 F HN -0.346 7.630 8.300 -0.540 0.000 0.463 88 A N 1.430 124.326 122.820 0.126 0.000 2.343 88 A HA 0.419 4.789 4.320 0.085 0.000 0.316 88 A C -2.547 174.957 177.584 -0.133 0.000 1.104 88 A CA -1.193 50.860 52.037 0.027 0.000 0.768 88 A CB 2.803 21.791 19.000 -0.019 0.000 1.213 88 A HN 0.738 8.925 8.150 0.063 0.000 0.456 89 F N 0.561 120.579 119.950 0.114 0.000 2.588 89 F HA 0.792 5.681 4.527 0.187 -0.249 0.310 89 F C -0.698 175.207 175.800 0.174 0.000 1.082 89 F CA -1.350 56.768 58.000 0.198 0.000 0.929 89 F CB 5.559 44.791 39.000 0.386 0.000 1.254 89 F HN 0.064 8.500 8.300 0.227 0.000 0.455 90 K N 3.243 123.851 120.400 0.347 0.000 2.425 90 K HA 0.506 4.941 4.320 0.192 0.000 0.259 90 K C -0.933 175.801 176.600 0.223 0.000 0.978 90 K CA -0.465 55.955 56.287 0.220 0.000 0.883 90 K CB 1.364 33.943 32.500 0.131 0.000 1.110 90 K HN 0.061 8.606 8.250 0.385 -0.063 0.436 91 C N 1.100 120.511 119.300 0.185 0.000 3.291 91 C HA 0.502 5.045 4.460 0.138 0.000 0.316 91 C C -1.011 174.031 174.990 0.085 0.000 1.391 91 C CA -2.432 56.670 59.018 0.139 0.000 1.394 91 C CB 3.385 31.208 27.740 0.138 0.000 1.744 91 C HN 0.358 8.694 8.230 0.176 0.000 0.461 92 A N -0.068 122.793 122.820 0.067 0.000 2.115 92 A HA 0.096 4.626 4.320 0.038 -0.187 0.211 92 A C 0.314 177.906 177.584 0.013 0.000 1.169 92 A CA 1.124 53.187 52.037 0.043 0.000 0.787 92 A CB 0.356 19.386 19.000 0.050 0.000 0.858 92 A HN 0.601 8.801 8.150 0.084 0.000 0.474 93 R N -1.708 118.784 120.500 -0.014 0.000 2.555 93 R HA 0.096 4.388 4.340 -0.080 0.000 0.272 93 R C 0.520 176.603 176.300 -0.361 0.000 1.089 93 R CA -0.612 55.403 56.100 -0.142 0.000 1.126 93 R CB -1.252 29.026 30.300 -0.036 0.000 1.250 93 R HN -0.178 8.107 8.270 0.026 0.000 0.551 94 A N 0.267 122.998 122.820 -0.148 0.000 1.948 94 A HA -0.319 3.918 4.320 -0.139 0.000 0.220 94 A C 1.149 178.671 177.584 -0.104 0.000 1.177 94 A CA 3.379 55.372 52.037 -0.074 0.000 0.636 94 A CB -0.303 18.773 19.000 0.126 0.000 0.815 94 A HN -0.141 7.872 8.150 -0.050 0.107 0.449 95 E N -1.641 118.531 120.200 -0.046 0.000 2.017 95 E HA -0.419 3.955 4.350 0.038 0.000 0.193 95 E C 1.970 178.483 176.600 -0.144 0.000 0.997 95 E CA 3.818 60.207 56.400 -0.019 0.000 0.804 95 E CB -0.519 29.207 29.700 0.043 0.000 0.757 95 E HN 0.180 8.510 8.360 -0.027 0.015 0.448 96 E N -0.938 119.111 120.200 -0.252 0.000 2.035 96 E HA -0.414 3.899 4.350 -0.061 0.000 0.204 96 E C 2.536 178.928 176.600 -0.346 0.000 1.025 96 E CA 2.530 58.768 56.400 -0.271 0.000 0.835 96 E CB -0.992 28.488 29.700 -0.367 0.000 0.764 96 E HN -0.188 8.025 8.360 -0.244 0.000 0.457 97 L N -0.618 120.053 121.223 -0.920 0.000 1.963 97 L HA -0.445 3.911 4.340 0.027 0.000 0.220 97 L C 1.528 178.353 176.870 -0.075 0.000 1.076 97 L CA 3.393 57.967 54.840 -0.442 0.000 0.772 97 L CB -0.066 41.609 42.059 -0.641 0.000 0.892 97 L HN -0.614 6.698 8.230 -1.531 0.000 0.435 98 F N -1.214 118.577 119.950 -0.266 0.000 2.008 98 F HA -0.576 4.059 4.527 0.180 0.000 0.297 98 F C 1.879 177.619 175.800 -0.102 0.000 1.156 98 F CA 4.271 62.151 58.000 -0.201 0.000 1.191 98 F CB -0.437 38.032 39.000 -0.885 0.000 0.955 98 F HN -0.299 7.968 8.300 -0.056 0.000 0.497 99 N N -0.158 118.539 118.700 -0.006 0.000 2.073 99 N HA -0.496 4.391 4.740 -0.006 -0.150 0.199 99 N C 2.473 177.957 175.510 -0.043 0.000 1.023 99 N CA 3.540 56.580 53.050 -0.016 0.000 0.880 99 N CB 0.012 38.503 38.487 0.007 0.000 1.052 99 N HN 0.050 8.429 8.380 -0.001 0.000 0.449 100 M N 0.094 119.683 119.600 -0.018 0.000 2.115 100 M HA -0.417 4.060 4.480 -0.005 0.000 0.258 100 M C 2.050 178.295 176.300 -0.092 0.000 1.071 100 M CA 3.943 59.238 55.300 -0.007 0.000 1.100 100 M CB 0.107 32.761 32.600 0.091 0.000 1.292 100 M HN 0.157 8.337 8.290 -0.008 0.105 0.415 101 L N -0.736 120.414 121.223 -0.121 0.000 2.010 101 L HA -0.581 3.569 4.340 -0.315 0.000 0.219 101 L C 1.808 178.468 176.870 -0.351 0.000 1.077 101 L CA 4.180 58.848 54.840 -0.287 0.000 0.773 101 L CB -0.387 41.446 42.059 -0.377 0.000 0.892 101 L HN 0.382 8.582 8.230 -0.050 0.000 0.436 102 Q N -3.614 116.011 119.800 -0.292 0.000 2.173 102 Q HA -0.492 3.685 4.340 -0.271 0.000 0.208 102 Q C 2.671 178.565 176.000 -0.177 0.000 0.989 102 Q CA 3.266 58.932 55.803 -0.229 0.000 0.872 102 Q CB -0.301 28.349 28.738 -0.148 0.000 0.909 102 Q HN 0.290 8.406 8.270 -0.258 0.000 0.420 103 E N 0.032 120.142 120.200 -0.150 0.000 2.076 103 E HA -0.170 4.119 4.350 -0.101 0.000 0.190 103 E C 2.019 178.520 176.600 -0.164 0.000 0.979 103 E CA 2.309 58.636 56.400 -0.120 0.000 0.807 103 E CB -0.589 29.065 29.700 -0.076 0.000 0.761 103 E HN -0.045 8.093 8.360 -0.143 0.136 0.454 104 I N -0.281 120.151 120.570 -0.229 0.000 2.530 104 I HA -0.458 3.566 4.170 -0.243 0.000 0.257 104 I C 2.318 178.230 176.117 -0.342 0.000 1.179 104 I CA 3.081 64.187 61.300 -0.324 0.000 1.440 104 I CB -0.525 37.144 38.000 -0.552 0.000 1.087 104 I HN 0.227 8.108 8.210 -0.226 0.194 0.440 105 M N -2.256 117.159 119.600 -0.309 0.000 2.193 105 M HA -0.265 4.043 4.480 -0.286 0.000 0.265 105 M C 2.209 178.405 176.300 -0.174 0.000 1.071 105 M CA 2.993 58.137 55.300 -0.260 0.000 1.140 105 M CB -0.692 31.753 32.600 -0.260 0.000 1.369 105 M HN -0.075 7.995 8.290 -0.299 0.041 0.423 106 Q N -2.375 117.338 119.800 -0.144 0.000 2.291 106 Q HA -0.254 4.033 4.340 -0.089 0.000 0.206 106 Q C 3.005 178.950 176.000 -0.091 0.000 0.976 106 Q CA 2.956 58.698 55.803 -0.100 0.000 0.875 106 Q CB -0.717 27.973 28.738 -0.081 0.000 0.927 106 Q HN -0.489 7.604 8.270 -0.156 0.083 0.450 107 N N -1.384 117.250 118.700 -0.109 0.000 2.270 107 N HA -0.115 4.583 4.740 -0.070 0.000 0.181 107 N C 0.342 175.799 175.510 -0.087 0.000 1.016 107 N CA 2.308 55.303 53.050 -0.091 0.000 0.870 107 N CB 0.321 38.748 38.487 -0.099 0.000 0.979 107 N HN -0.433 7.830 8.380 -0.137 0.035 0.431 108 N N -2.255 116.379 118.700 -0.110 0.000 2.282 108 N HA 0.131 4.828 4.740 -0.073 0.000 0.240 108 N C -1.677 173.782 175.510 -0.086 0.000 1.182 108 N CA -0.323 52.670 53.050 -0.095 0.000 0.874 108 N CB 1.202 39.619 38.487 -0.118 0.000 1.126 108 N HN -0.643 7.528 8.380 -0.138 0.126 0.516 109 S N -1.650 114.002 115.700 -0.081 0.000 3.402 109 S HA -0.395 4.036 4.470 -0.066 0.000 0.329 109 S C -0.138 174.417 174.600 -0.075 0.000 1.194 109 S CA 1.313 59.473 58.200 -0.067 0.000 0.951 109 S CB -0.957 62.215 63.200 -0.047 0.000 0.975 109 S HN -0.608 7.474 8.310 -0.084 0.177 0.574 110 I N -2.037 118.471 120.570 -0.104 0.000 3.161 110 I HA -0.309 3.808 4.170 -0.089 0.000 0.284 110 I C -0.249 175.812 176.117 -0.093 0.000 1.252 110 I CA 1.277 62.511 61.300 -0.110 0.000 1.374 110 I CB 0.750 38.651 38.000 -0.165 0.000 1.359 110 I HN -0.412 7.602 8.210 -0.123 0.122 0.606 111 N N 3.101 121.754 118.700 -0.077 0.000 2.444 111 N HA 0.011 4.722 4.740 -0.048 0.000 0.271 111 N C -0.645 174.826 175.510 -0.066 0.000 1.069 111 N CA 0.179 53.196 53.050 -0.056 0.000 0.965 111 N CB 0.416 38.883 38.487 -0.033 0.000 1.092 111 N HN 0.146 8.482 8.380 -0.074 0.000 0.476 112 V N -2.058 117.826 119.914 -0.049 0.000 2.719 112 V HA 0.302 4.412 4.120 -0.016 0.000 0.330 112 V C -0.890 175.213 176.094 0.014 0.000 1.224 112 V CA -1.298 60.985 62.300 -0.028 0.000 1.314 112 V CB -0.404 31.378 31.823 -0.069 0.000 1.416 112 V HN 0.154 8.320 8.190 -0.040 0.000 0.651 113 V N -2.069 117.855 119.914 0.017 0.000 2.655 113 V HA -0.191 3.937 4.120 0.014 0.000 0.273 113 V C -0.161 175.960 176.094 0.045 0.000 0.957 113 V CA 0.922 63.236 62.300 0.024 0.000 1.167 113 V CB -0.342 31.493 31.823 0.020 0.000 0.923 113 V HN -0.540 7.654 8.190 0.008 0.000 0.462 114 E N 6.623 126.848 120.200 0.042 0.000 2.229 114 E HA 0.136 4.537 4.350 0.085 0.000 0.283 114 E C -0.471 176.154 176.600 0.040 0.000 1.030 114 E CA -0.993 55.443 56.400 0.059 0.000 0.836 114 E CB 0.919 30.655 29.700 0.062 0.000 1.068 114 E HN -0.172 8.204 8.360 0.027 0.000 0.401 115 E N 3.319 123.546 120.200 0.046 0.000 2.035 115 E HA 0.092 4.455 4.350 0.021 0.000 0.191 115 E C -1.607 175.006 176.600 0.022 0.000 0.966 115 E CA 0.602 57.019 56.400 0.029 0.000 0.823 115 E CB -0.905 28.812 29.700 0.029 0.000 0.791 115 E HN 0.354 8.752 8.360 0.063 0.000 0.459 116 P HA -0.089 4.338 4.420 0.011 0.000 0.270 116 P C -1.081 176.233 177.300 0.022 0.000 1.242 116 P CA 0.674 63.787 63.100 0.021 0.000 0.768 116 P CB 0.150 31.865 31.700 0.025 0.000 0.820 117 V N 5.394 125.311 119.914 0.005 0.000 3.187 117 V HA 0.267 4.394 4.120 0.011 0.000 0.402 117 V C -1.335 174.753 176.094 -0.011 0.000 1.457 117 V CA -0.629 61.670 62.300 -0.002 0.000 1.409 117 V CB 0.948 32.761 31.823 -0.017 0.000 1.218 117 V HN -0.286 8.043 8.190 -0.001 -0.140 0.595 118 V N -2.165 117.747 119.914 -0.004 0.000 4.760 118 V HA -0.334 3.785 4.120 -0.002 0.000 0.419 118 V C -0.888 175.199 176.094 -0.012 0.000 0.686 118 V CA 0.910 63.207 62.300 -0.005 0.000 1.642 118 V CB -0.503 31.319 31.823 -0.001 0.000 1.965 118 V HN -0.340 7.851 8.190 0.002 0.000 0.481 119 E N 3.804 123.999 120.200 -0.009 0.000 2.504 119 E HA 0.162 4.499 4.350 -0.023 0.000 0.253 119 E C -0.163 176.443 176.600 0.010 0.000 1.151 119 E CA -0.821 55.575 56.400 -0.006 0.000 0.972 119 E CB 1.238 30.939 29.700 0.002 0.000 1.247 119 E HN -0.235 8.123 8.360 -0.004 0.000 0.519 120 R N -0.159 120.357 120.500 0.026 0.000 2.533 120 R HA 0.289 4.641 4.340 0.020 0.000 0.288 120 R C -0.222 176.102 176.300 0.039 0.000 1.039 120 R CA -0.151 55.966 56.100 0.029 0.000 0.909 120 R CB 1.612 31.928 30.300 0.027 0.000 1.195 120 R HN 0.469 8.761 8.270 0.038 0.000 0.438 121 N N 1.226 119.943 118.700 0.028 0.000 3.797 121 N HA -0.503 4.248 4.740 0.019 0.000 0.211 121 N C -0.141 175.388 175.510 0.032 0.000 0.241 121 N CA 2.339 55.404 53.050 0.026 0.000 2.596 121 N CB -0.311 38.191 38.487 0.025 0.000 1.344 121 N HN 0.486 8.879 8.380 0.021 0.000 0.365 122 N N -2.206 116.523 118.700 0.047 0.000 4.430 122 N HA 0.059 4.838 4.740 0.065 0.000 0.181 122 N C -1.297 174.261 175.510 0.081 0.000 1.061 122 N CA 0.753 53.836 53.050 0.056 0.000 1.089 122 N CB 0.580 39.084 38.487 0.028 0.000 1.586 122 N HN -0.162 8.229 8.380 0.055 0.022 0.881 123 H N 4.955 124.027 119.070 0.003 0.000 2.370 123 H HA -0.002 4.555 4.556 0.003 0.000 0.304 123 H C 0.555 175.884 175.328 0.003 0.000 1.055 123 H CA 1.304 57.354 56.048 0.003 0.000 1.373 123 H CB 0.737 30.502 29.762 0.004 0.000 1.423 123 H HN 0.341 8.730 8.280 0.182 0.000 0.533 124 Q N -1.789 118.056 119.800 0.075 0.000 2.396 124 Q HA 0.161 4.486 4.340 -0.026 0.000 0.221 124 Q C -0.902 175.091 176.000 -0.012 0.000 1.025 124 Q CA -0.080 55.732 55.803 0.015 0.000 0.946 124 Q CB 1.145 29.913 28.738 0.049 0.000 1.224 124 Q HN 0.100 8.454 8.270 0.141 0.000 0.539 125 T N -2.103 112.439 114.554 -0.019 0.000 2.876 125 T HA 0.263 4.604 4.350 -0.014 0.000 0.289 125 T C -0.783 173.913 174.700 -0.008 0.000 1.014 125 T CA -0.840 61.249 62.100 -0.018 0.000 0.986 125 T CB 1.039 69.889 68.868 -0.030 0.000 1.021 125 T HN -0.072 8.158 8.240 -0.017 0.000 0.458 126 E N 2.582 122.779 120.200 -0.005 0.000 2.232 126 E HA 0.141 4.491 4.350 -0.001 0.000 0.264 126 E C -1.101 175.496 176.600 -0.004 0.000 0.973 126 E CA -1.128 55.270 56.400 -0.002 0.000 0.849 126 E CB 0.945 30.645 29.700 0.000 0.000 1.198 126 E HN 0.296 8.652 8.360 -0.006 0.000 0.407 127 L N 1.965 123.186 121.223 -0.003 0.000 2.433 127 L HA -0.033 4.304 4.340 -0.005 0.000 0.275 127 L C -0.124 176.744 176.870 -0.003 0.000 1.128 127 L CA 1.317 56.155 54.840 -0.004 0.000 0.875 127 L CB -0.893 41.164 42.059 -0.003 0.000 1.171 127 L HN 0.333 8.562 8.230 -0.002 0.000 0.463 128 E N 3.244 123.442 120.200 -0.004 0.000 2.186 128 E HA -0.012 4.336 4.350 -0.003 0.000 0.244 128 E C -0.920 175.678 176.600 -0.004 0.000 1.089 128 E CA 0.194 56.592 56.400 -0.003 0.000 1.667 128 E CB 1.627 31.326 29.700 -0.003 0.000 3.574 128 E HN 0.466 8.823 8.360 -0.005 0.000 1.014 129 V N -0.254 119.657 119.914 -0.005 0.000 2.834 129 V HA 0.311 4.504 4.120 -0.005 -0.075 0.301 129 V C -1.778 174.313 176.094 -0.005 0.000 1.066 129 V CA -2.351 59.946 62.300 -0.005 0.000 1.052 129 V CB -0.233 31.586 31.823 -0.007 0.000 1.021 129 V HN -0.114 8.072 8.190 -0.006 0.000 0.480 130 P HA 0.127 4.544 4.420 -0.005 0.000 0.274 130 P C -1.452 175.846 177.300 -0.004 0.000 1.231 130 P CA -0.337 62.760 63.100 -0.005 0.000 0.790 130 P CB 0.837 32.534 31.700 -0.004 0.000 0.951 131 R N -0.304 120.194 120.500 -0.003 0.000 2.517 131 R HA 0.026 4.364 4.340 -0.003 0.000 0.250 131 R C -0.383 175.916 176.300 -0.003 0.000 1.213 131 R CA -0.387 55.712 56.100 -0.003 0.000 1.146 131 R CB 0.730 31.028 30.300 -0.003 0.000 1.279 131 R HN 0.050 8.317 8.270 -0.004 0.000 0.597 132 T N -1.193 113.359 114.554 -0.002 0.000 3.012 132 T HA 0.196 4.545 4.350 -0.002 0.000 0.330 132 T C -2.581 172.118 174.700 -0.002 0.000 1.321 132 T CA -2.448 59.651 62.100 -0.002 0.000 1.067 132 T CB 0.966 69.833 68.868 -0.002 0.000 1.235 132 T HN -0.036 8.202 8.240 -0.002 0.000 0.479 133 P HA 0.258 4.677 4.420 -0.001 0.000 0.276 133 P C -0.716 176.583 177.300 -0.001 0.000 1.235 133 P CA -0.089 63.010 63.100 -0.001 0.000 0.772 133 P CB 0.972 32.671 31.700 -0.001 0.000 0.871 134 R N 2.789 123.288 120.500 -0.001 0.000 2.127 134 R HA -0.040 4.299 4.340 -0.001 0.000 0.217 134 R C -0.330 175.970 176.300 -0.001 0.000 1.074 134 R CA 0.059 56.159 56.100 -0.001 0.000 0.991 134 R CB 0.192 30.491 30.300 -0.001 0.000 0.895 134 R HN 0.207 8.477 8.270 -0.001 0.000 0.450 135 T N 1.362 115.915 114.554 -0.001 0.000 3.245 135 T HA -0.032 4.317 4.350 -0.001 0.000 0.434 135 T C -2.076 172.623 174.700 -0.001 0.000 0.770 135 T CA -0.452 61.648 62.100 -0.001 0.000 2.278 135 T CB -0.320 68.547 68.868 -0.001 0.000 1.692 135 T HN -0.297 7.942 8.240 -0.001 0.000 0.677 136 P HA 0.000 4.419 4.420 -0.001 0.000 0.216 136 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 136 P CB 0.000 31.699 31.700 -0.001 0.000 0.726