NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2132 8.3349 116.7358 58.3969 64.3461 172.4475 2 N 4.9797 8.1793 118.9500 49.9916 41.8107 172.8395 3 S 4.7172 8.8287 115.6624 57.2474 66.3896 173.2991 4 W 5.4665 8.7599 122.4932 54.8570 33.0435 174.1219 5 A 5.2361 8.8057 124.3378 50.1909 21.9404 175.2761 6 V 4.4146 8.6415 121.1221 60.7266 34.7590 175.3651 7 A 4.4447 8.5688 130.0711 51.1555 19.4557 176.1060 8 P 4.2541 0.0000 0.0000 65.8098 31.5064 179.4353 9 G 3.6165 8.0532 105.2405 47.9091 0.0000 173.8038 10 K 4.2492 7.7876 118.7666 56.4286 32.3628 175.8522 11 T 4.6307 7.4625 107.0426 60.1334 71.3268 174.2752 12 A 4.1325 8.4913 125.1138 55.0596 18.6389 178.7303 13 N 4.4840 8.1207 111.1210 53.9101 39.1795 176.1393 14 G 3.9238 8.2754 105.6355 45.4014 0.0000 172.5562 15 N 5.1629 7.7625 114.8199 50.5774 41.5534 174.4978 16 A 4.4550 8.7318 124.2017 52.2124 19.6136 176.5823 17 L 4.9259 8.5942 118.6730 52.8464 45.7669 175.6252 18 L 5.2341 8.4594 122.7992 53.3282 45.5508 174.9090 19 L 4.7078 9.0770 128.2759 53.5511 44.1059 174.6773 20 Q 4.6228 8.4838 125.2406 53.7022 30.7286 176.2690 21 N 4.9145 7.8209 121.8882 51.7320 38.9925 172.3281 22 P 4.6317 0.0000 0.0000 63.2765 32.7754 176.9826 23 H 4.9477 9.0264 121.5643 54.3114 29.7115 174.2902 24 L 4.8638 8.1977 122.9617 52.9138 45.9496 175.9436 25 S 4.4795 8.4758 115.7881 58.7241 63.3824 174.8940 26 W 4.3236 9.0429 123.6053 57.9915 29.9194 176.7673 27 T 3.4658 8.1144 110.2993 63.3020 65.0152 171.5619 28 T 4.1386 7.8848 120.9584 64.1292 68.4412 174.9569 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 S 8.33 4.21 0.00 3.70 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 2 N 8.18 4.98 0.00 2.40 2.24 0.00 0.00 6.74 6.69 0.00 0.00 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 S 8.83 4.72 0.00 3.83 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 4 W 8.76 5.47 0.00 3.40 2.89 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 0.00 0.00 0.00 5 A 8.81 5.24 1.22 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 0.00 0.00 0.00 0.00 0.00 6 V 8.64 4.41 2.07 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 0.90 0.00 0.00 0.86 0.00 0.00 7 A 8.57 4.44 1.26 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 0.00 0.00 0.00 8 P 0.00 4.25 0.00 2.18 2.25 0.00 3.60 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 2.12 2.11 0.00 9 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.79 4.25 0.00 1.73 1.93 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.31 7.81 11 T 7.46 4.63 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 1.32 0.00 0.00 12 A 8.49 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.48 0.00 2.72 2.88 0.00 0.00 7.04 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 14 G 8.28 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 15 N 7.76 5.16 0.00 2.57 2.69 0.00 0.00 7.06 7.35 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 16 A 8.73 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 4.93 0.00 1.64 1.57 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.46 5.23 0.00 1.61 1.51 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.08 4.71 0.00 1.91 1.65 0.83 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.48 4.62 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.17 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 21 N 7.82 4.91 0.00 2.60 2.59 0.00 0.00 6.97 7.71 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 22 P 0.00 4.63 0.00 2.11 2.02 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 23 H 9.03 4.95 0.00 3.16 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.20 4.86 0.00 1.63 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.48 4.48 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.04 4.32 0.00 3.20 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 3.47 4.30 0.00 0.00 0.00 0.00 0.00 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 28 T 7.88 4.14 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00