NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8374 8.3549 109.7363 45.2105 0.0000 173.3121 2 K 4.1463 8.4830 123.0821 52.8573 32.4440 174.9601 3 K 4.3476 8.2475 124.0076 55.8723 35.1682 177.0531 4 S 4.5866 8.1141 116.1396 57.2536 66.3396 174.9132 5 K 3.9660 8.3981 120.8698 59.4381 31.8897 178.5319 6 A 3.9955 7.8985 120.6938 55.3840 18.3882 179.5206 7 T 3.7927 7.8042 114.1230 66.7750 68.5839 176.7107 8 K 3.9628 8.1257 121.3963 59.4386 32.1138 178.9781 9 K 3.9899 8.0814 118.7339 59.4620 31.9205 179.5091 10 R 3.9376 8.0127 118.2922 59.2740 29.9555 179.0704 11 L 3.9608 8.3812 118.9123 57.7133 41.6381 179.2926 12 A 3.9793 8.0943 120.6566 55.0910 18.3004 179.6029 13 K 3.8734 8.1574 117.8729 59.7782 32.1221 178.8374 14 L 4.2116 7.9409 118.1090 57.9426 41.7805 178.9025 15 D 4.4613 8.3288 117.8984 57.4339 41.0257 177.7971 16 N 4.3267 8.0239 116.1746 56.8782 39.0105 176.5703 17 Q 4.1643 8.4151 118.9190 58.2987 28.9927 176.7668 18 N 4.7635 7.9630 118.2651 53.3577 40.0121 174.3654 19 S 4.7657 7.3611 111.9699 55.8049 66.0125 173.2120 20 R 4.1207 8.0866 120.9352 55.2988 30.6587 175.9153 21 V 3.6610 8.0364 121.7796 61.3289 31.9165 173.9498 22 P 4.0975 0.0000 0.0000 63.1977 31.4843 176.3170 23 A 3.9367 8.9069 123.7077 55.5831 18.0915 179.8950 24 W 4.3172 8.4796 114.1187 60.1506 27.2857 178.3494 25 V 3.2764 6.7341 118.0970 65.7565 30.6441 177.8981 26 M 4.0694 8.0859 118.9789 57.9461 31.6855 178.6705 27 L 4.2353 7.6698 118.6303 57.5584 42.0887 178.9013 28 K 4.2426 8.3051 118.0653 58.5434 32.1102 176.8556 29 T 4.5300 7.1057 105.3222 60.6671 69.5678 173.3273 30 D 4.2779 9.2803 120.3946 55.9653 39.0666 171.0956 31 R 3.3997 8.5864 122.2219 55.8309 30.7227 176.9396 *35 R 3.7709 8.3327 118.9674 56.1693 30.3270 175.2010 36 N 4.5505 8.2911 122.9799 52.2699 37.9680 174.3537 37 H 4.5196 8.3945 121.6147 56.8591 29.1702 176.3410 38 K 4.5795 7.8029 119.3366 55.9328 32.5132 176.5683 39 R 4.2213 8.0117 118.6964 55.5436 30.5230 176.1767 40 R 4.6476 8.4624 122.9691 54.4827 32.8636 173.9861 41 H 5.0309 8.3547 123.0774 53.5712 31.9984 175.0737 42 W 4.2507 8.7297 123.2944 59.1192 27.8789 176.7448 43 R 3.8602 5.9041 117.5489 57.9153 30.1775 177.3192 44 R 3.8939 7.6320 116.2698 58.6248 30.3763 176.4786 45 N 4.8966 7.6068 114.2577 52.1144 40.9202 173.2624 46 D 4.5846 8.1755 116.9107 53.8862 44.0525 175.4226 47 T 4.3915 8.2684 116.5920 60.4373 70.5231 173.7360 48 D 4.5838 8.1543 121.8958 54.2668 41.9672 176.7877 49 E 4.2002 8.6767 118.6985 56.7977 28.8424 175.1644 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.48 4.15 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 3 K 8.25 4.35 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.11 4.59 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.40 3.97 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 6 A 7.90 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.80 3.79 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.13 3.96 0.00 1.94 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 8.08 3.99 0.00 2.04 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.67 7.81 10 R 8.01 3.94 0.00 2.05 1.98 0.00 3.38 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 11 L 8.38 3.96 0.00 1.80 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.09 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.16 3.87 0.00 1.85 2.00 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.94 4.21 0.00 1.83 1.75 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.33 4.46 0.00 2.80 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.02 4.33 0.00 2.89 2.94 0.00 0.00 7.33 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.42 4.16 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.46 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 18 N 7.96 4.76 0.00 2.95 2.97 0.00 0.00 7.04 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.36 4.77 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.09 4.12 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 V 8.04 3.66 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.10 0.00 1.71 2.18 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.69 0.00 23 A 8.91 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.48 4.32 0.00 3.62 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 6.73 3.28 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 -0.48 0.00 0.00 26 M 8.09 4.07 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 27 L 7.67 4.24 0.00 1.92 1.76 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.31 4.24 0.00 1.99 1.99 0.00 2.10 0.00 0.00 2.01 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.59 7.81 29 T 7.11 4.53 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 30 D 9.28 4.28 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.59 3.40 0.00 1.83 1.90 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 *35 R 8.33 3.77 0.00 1.74 1.65 0.00 3.22 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.29 4.55 0.00 2.61 2.70 0.00 0.00 7.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.39 4.52 0.00 3.16 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.80 4.58 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 8.01 4.22 0.00 1.79 1.88 0.00 3.19 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 40 R 8.46 4.65 0.00 1.75 1.80 0.00 3.22 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 41 H 8.35 5.03 0.00 3.11 2.98 0.00 5.93 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.73 4.25 0.00 3.51 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 5.90 3.86 0.00 0.67 1.09 0.00 2.40 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.22 0.00 44 R 7.63 3.89 0.00 1.76 1.91 0.00 3.33 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 45 N 7.61 4.90 0.00 2.97 2.78 0.00 0.00 6.76 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.18 4.58 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.27 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 D 8.15 4.58 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.68 4.20 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.