NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5764 8.3049 118.3347 54.8283 32.8021 175.0536 2 K 3.9891 8.6763 121.2733 56.2894 32.5218 172.4685 3 V 3.8179 8.9699 117.7565 62.1884 33.6782 178.7943 4 R 3.7153 7.7391 118.3690 56.3013 29.0683 175.0670 5 A 4.6964 8.5042 116.5242 52.4598 20.9005 176.8551 6 S 4.6255 7.7018 111.1533 55.3811 62.3872 173.6684 7 V 3.1094 7.4225 118.6800 61.0859 31.7450 173.8626 8 K 3.5673 8.0936 127.2529 54.3215 33.2419 175.4136 9 K 4.1268 8.5062 123.6382 57.2832 32.3260 174.6466 10 L 4.4541 7.6483 115.7319 54.6264 44.7790 178.3670 11 C 4.6224 7.3538 112.0772 56.2684 32.1382 174.6438 12 R 4.1111 8.4350 115.2331 58.4373 29.4091 176.4392 13 N 4.8410 7.6573 116.8071 53.6893 38.8567 174.8003 14 C 5.0412 7.8239 115.4776 57.9898 30.7782 174.4666 15 K 3.9132 8.4725 126.7308 59.4647 31.9855 175.8244 16 I 3.8620 7.7669 123.7833 62.6637 33.2946 171.7695 17 V 4.3233 7.7647 123.1640 60.7963 33.4836 175.2885 18 K 5.4382 8.1385 128.1866 54.4098 30.9114 175.2107 19 R 4.3135 7.8203 121.6623 55.8943 33.1081 177.7830 20 D 4.4723 9.4615 122.4637 55.2597 39.4712 174.7007 21 G 4.0984 9.0780 113.6561 45.2292 0.0000 172.8641 22 V 3.9217 7.9543 121.3470 62.2985 32.2133 175.4689 23 I 4.1567 7.9764 128.8141 60.3075 35.9060 175.4770 24 R 4.6715 8.5317 125.0692 55.2960 33.2389 174.9165 25 V 4.5897 8.5730 118.9833 62.0748 34.6593 174.1343 26 I 4.7981 8.4851 128.3074 59.7219 40.1215 174.1452 27 C 5.6254 8.6588 124.7600 56.9018 33.9969 173.9169 28 S 4.2638 8.9772 120.5311 61.1826 63.5290 175.4541 29 A 4.1095 8.1252 122.6869 54.0803 18.0946 177.1302 30 E 4.6864 7.6080 114.2737 53.8788 32.9955 175.5665 31 P 4.3230 0.0000 0.0000 65.4072 31.6824 178.5684 32 K 3.9751 8.0615 115.9501 58.7951 31.9904 176.9166 33 H 4.5433 7.5751 113.6855 55.9526 29.3917 174.9453 34 K 4.3068 8.6809 122.4339 57.1207 32.6678 175.4143 35 Q 5.1237 8.7451 126.3827 55.5165 32.1120 175.5129 36 R 4.1860 9.0285 121.3162 56.4181 31.9454 176.9906 37 Q 4.1268 9.7095 119.1833 56.0140 28.5767 175.5717 38 G 3.7476 8.1999 110.6262 45.0647 0.0000 170.7001 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 M 8.30 4.58 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 8.68 3.99 0.00 1.85 1.76 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.48 7.81 3 V 8.97 3.82 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 4 R 7.74 3.72 0.00 1.93 1.96 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.50 4.70 1.23 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 0.00 0.00 0.00 6 S 7.70 4.63 0.00 3.82 3.77 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 V 7.42 3.11 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 8 K 8.09 3.57 0.00 1.87 1.78 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.51 4.13 0.00 1.87 1.84 0.00 1.45 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.53 7.81 10 L 7.65 4.45 0.00 1.36 1.26 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.35 4.62 0.00 3.14 3.18 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 12 R 8.44 4.11 0.00 1.94 2.11 0.00 3.02 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 13 N 7.66 4.84 0.00 2.93 2.85 0.00 0.00 6.60 7.54 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 14 C 7.82 5.04 0.00 2.98 2.83 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 15 K 8.47 3.91 0.00 1.66 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 16 I 7.77 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.08 0.91 0.00 0.00 17 V 7.76 4.32 2.08 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 0.99 0.00 0.00 0.93 0.00 0.00 18 K 8.14 5.44 0.00 1.75 1.71 0.00 1.64 0.00 0.00 2.36 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.40 7.81 19 R 7.82 4.31 0.00 1.91 1.82 0.00 3.33 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 20 D 9.46 4.47 0.00 2.81 2.40 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 21 G 9.08 4.10 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 22 V 7.95 3.92 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 23 I 7.98 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.91 0.00 0.00 24 R 8.53 4.67 0.00 1.78 2.05 0.00 3.08 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 25 V 8.57 4.59 2.09 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 1.05 0.00 0.00 0.93 0.00 0.00 26 I 8.49 4.80 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.62 0.91 0.00 0.00 27 C 8.66 5.63 0.00 2.97 2.91 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 28 S 8.98 4.26 0.00 4.01 3.96 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 29 A 8.13 4.11 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 30 E 7.61 4.69 0.00 1.47 1.65 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 2.21 2.18 0.00 31 P 0.00 4.32 0.00 2.16 2.08 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 8.06 3.98 0.00 1.78 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 33 H 7.58 4.54 0.00 3.25 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.68 4.31 0.00 2.02 1.74 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 35 Q 8.75 5.12 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.27 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 36 R 9.03 4.19 0.00 1.77 1.50 0.00 3.29 0.00 0.00 3.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 37 Q 9.71 4.13 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 38 G 8.20 3.75 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 0.00 0.00 0.00