NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6527 7.8774 117.5597 55.7655 42.4857 173.4505 2 G 4.0719 8.3942 108.8275 45.1882 0.0000 170.6245 3 E 4.1627 7.6846 119.1326 56.4111 31.0864 174.0980 4 T 4.7865 8.1141 110.0563 59.9038 71.1767 172.7678 5 C 5.4010 8.4557 117.4640 53.7897 42.8710 174.7776 6 V 3.8577 8.0042 129.5652 61.8508 30.4445 175.4835 7 G 4.1643 8.7210 104.2233 46.6241 0.0000 173.3436 8 G 3.9215 8.4225 102.8964 46.3259 0.0000 173.9843 9 T 4.7010 7.6850 108.1157 59.4840 71.6184 173.3090 10 C 5.2341 8.4624 120.4350 55.2946 43.9387 174.1283 11 N 4.3419 8.8948 121.7759 56.2572 38.7980 176.1576 12 T 3.8907 7.5226 116.2229 62.5533 68.7464 171.8917 13 P 4.3967 0.0000 0.0000 64.3518 31.3719 176.6114 14 G 3.8325 8.8849 110.2221 45.7530 0.0000 173.1975 15 C 4.9773 8.0498 117.9956 55.6839 37.2351 173.6906 16 T 4.3595 8.8939 115.9483 60.9993 70.0528 173.5412 17 C 4.6611 8.7501 125.1635 57.3071 44.0542 172.7630 18 S 4.5086 8.9014 120.8167 56.8851 66.4824 171.5275 19 K 4.3759 8.5920 119.9042 58.5646 30.9168 174.9617 20 N 4.2493 8.5627 121.1236 54.6310 37.9855 173.4423 21 K 4.9080 7.7860 113.9675 54.9017 37.0871 174.4153 22 C 5.1381 9.1076 122.2242 56.4252 39.7649 173.2766 23 T 4.8502 9.1221 113.5425 60.0631 71.8661 173.7003 24 R 4.3687 9.3223 124.4754 55.1012 30.2948 176.1460 25 N 4.2845 9.7215 123.9261 54.2771 36.2369 175.4479 26 G 3.9728 8.5827 107.2532 45.4116 0.0000 174.3057 27 L 4.1534 7.8554 122.3934 53.8872 42.4691 175.7888 28 P 4.9222 0.0000 0.0000 61.9138 30.3439 176.9217 29 V 3.9670 7.3702 122.8346 61.7281 31.6204 176.4460 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 C 7.88 4.65 0.00 3.13 3.21 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 G 8.39 4.07 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 3 E 7.68 4.16 0.00 2.04 1.89 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 0.00 2.40 2.30 0.00 4 T 8.11 4.79 4.24 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 1.35 0.00 0.00 5 C 8.46 5.40 0.00 3.24 3.23 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 6 V 8.00 3.86 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 0.76 0.00 0.00 0.93 0.00 0.00 7 G 8.72 4.16 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 8 G 8.42 3.92 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 9 T 7.69 4.70 4.24 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 1.21 0.00 0.00 10 C 8.46 5.23 0.00 3.06 2.97 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 0.00 0.00 0.00 0.00 11 N 8.89 4.34 0.00 3.09 2.87 0.00 0.00 7.57 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 12 T 7.52 3.89 4.24 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 1.21 0.00 0.00 13 P 0.00 4.40 0.00 2.17 2.08 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 14 G 8.88 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 0.00 0.00 0.00 15 C 8.05 4.98 0.00 3.02 3.04 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 T 8.89 4.36 4.24 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 1.21 0.00 0.00 17 C 8.75 4.66 0.00 3.01 3.03 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 18 S 8.90 4.51 0.00 4.03 3.71 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 19 K 8.59 4.38 0.00 1.85 1.90 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.46 7.81 20 N 8.56 4.25 0.00 2.86 2.90 0.00 0.00 7.07 6.68 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 K 7.79 4.91 0.00 1.68 1.62 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.57 7.81 22 C 9.11 5.14 0.00 2.82 3.01 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 23 T 9.12 4.85 4.31 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 24 R 9.32 4.37 0.00 1.71 1.93 0.00 3.57 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 25 N 9.72 4.28 0.00 2.84 2.89 0.00 0.00 7.45 7.65 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 26 G 8.58 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.86 4.15 0.00 1.75 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.92 0.00 2.08 2.01 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 29 V 7.37 3.97 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 0.91 0.00 0.00 0.93 0.00 0.00