NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7336 8.4549 115.4509 55.3066 42.6106 174.3579 2 S 4.4434 8.1924 113.6240 56.9121 65.8324 170.2411 3 Q 3.2368 9.1535 126.1426 56.4297 26.2826 172.6004 4 N 3.7937 8.9341 116.7289 54.7430 39.0015 174.3006 5 E 4.6734 8.5557 115.5402 58.1077 29.8694 175.1277 6 Y 4.7937 8.5015 116.1827 56.6170 41.6096 173.7289 7 F 4.9969 9.1197 126.9790 57.5113 39.9304 173.9254 8 D 4.2055 7.9361 127.4381 54.1795 41.4473 176.7838 9 S 3.8937 8.8613 122.9205 61.6871 63.2491 175.5484 10 L 3.9674 8.0072 120.0055 57.9668 41.8550 177.8159 11 L 4.1111 8.8537 117.5677 54.8267 42.0977 177.3469 12 H 3.5987 8.2293 114.1994 56.2527 27.1943 173.8505 13 A 5.0879 6.8493 122.2612 50.3552 22.5241 174.8969 14 C 4.7803 8.7202 113.4752 55.6495 42.4650 173.8706 15 I 4.2764 7.7599 125.2516 59.1058 38.9532 174.0381 16 P 4.6717 0.0000 0.0000 63.5041 30.9101 178.1707 17 C 3.3620 8.1824 123.4436 62.1224 28.9241 176.8018 18 Q 4.0397 8.8725 119.7298 59.1339 28.7010 178.0210 19 L 4.1377 8.3701 117.2106 58.2135 41.5734 179.6526 20 R 3.9259 7.2961 114.3286 58.2024 30.4781 176.5616 21 C 4.4278 8.1846 120.9825 59.7801 28.6043 173.6275 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 8.45 4.73 0.00 3.12 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.44 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.15 3.24 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 5.94 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 4 N 8.93 3.79 0.00 2.78 2.89 0.00 0.00 7.23 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 5 E 8.56 4.67 0.00 1.89 2.10 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 2.48 2.69 0.00 6 Y 8.50 4.79 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 5.00 0.00 3.03 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 8 D 7.94 4.21 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.86 3.89 0.00 3.85 3.89 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 10 L 8.01 3.97 0.00 1.59 1.65 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.85 4.11 0.00 1.48 1.55 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.23 3.60 0.00 3.21 3.44 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.85 5.09 1.24 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 0.00 0.00 0.00 14 C 8.72 4.78 0.00 2.84 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 15 I 7.76 4.28 1.13 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.64 0.91 0.00 0.00 16 P 0.00 4.67 0.00 2.10 2.05 0.00 3.62 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 2.12 2.40 0.00 17 C 8.18 3.36 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.87 4.04 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 19 L 8.37 4.14 0.00 1.83 1.83 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.30 3.93 0.00 1.98 1.90 0.00 3.08 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.15 0.00 21 C 8.18 4.43 0.00 2.92 2.77 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