NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2939 8.4449 120.2265 55.7836 31.1171 175.7025 2 S 4.1966 8.2086 117.1738 56.1722 64.8597 173.3470 3 P 4.4003 0.0000 0.0000 65.7966 31.4925 178.2036 4 E 3.9443 8.1499 118.2269 59.6812 29.4756 179.1290 5 Q 4.0278 8.0506 117.3631 58.9593 28.5525 178.7641 6 R 3.9275 7.4225 117.4467 59.3821 30.2569 178.0314 7 A 4.0828 8.0650 121.0160 55.1790 17.9098 179.3744 8 T 3.7797 8.0441 113.0323 66.9669 68.4400 176.8135 9 R 3.9613 7.8824 119.5912 59.1121 30.1636 177.9997 10 L 4.1270 8.0227 119.8489 56.6114 42.3274 176.9377 11 K 4.6281 7.6571 118.9603 56.2728 32.5664 175.6139 12 R 4.6333 7.9526 113.8547 56.0959 30.7283 174.9698 13 M 4.7009 7.5873 115.6015 53.7594 34.6493 176.0388 14 S 4.7865 8.0388 113.2375 57.7409 63.7967 175.4378 15 E 4.1633 8.3868 124.5608 56.8657 27.1318 173.1933 16 Y 3.3233 8.1514 123.1773 56.7864 36.5821 168.3796 17 A 4.0244 7.8384 125.4984 51.2192 19.3456 179.0236 18 A 4.3178 8.2807 126.0522 51.8207 15.9332 177.2821 19 K 4.1115 7.7387 119.8861 57.0173 33.7826 176.8307 20 R 4.3388 8.0789 125.8468 57.2288 35.1236 176.0529 21 L 4.5052 7.6518 118.8213 52.0121 40.0421 176.9996 22 S 4.6374 7.5059 111.2128 56.6588 63.7985 176.7705 23 S 4.1428 8.1600 121.4951 59.9377 62.3368 173.6779 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 E 8.44 4.29 0.00 1.95 1.95 0.00 0.00 0.00 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 2.40 0.00 2 S 8.21 4.20 0.00 3.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.26 2.31 0.00 3.70 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 2.07 2.05 0.00 4 E 8.15 3.94 0.00 2.03 2.04 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 2.40 2.41 0.00 5 Q 8.05 4.03 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 6 R 7.42 3.93 0.00 1.86 2.10 0.00 3.26 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 7 A 8.06 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 3.78 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 9 R 7.88 3.96 0.00 1.93 2.13 0.00 3.27 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 10 L 8.02 4.13 0.00 1.95 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.66 4.63 0.00 1.74 1.72 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.32 7.81 12 R 7.95 4.63 0.00 2.02 1.85 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 13 M 7.59 4.70 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 14 S 8.04 4.79 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.16 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 16 Y 8.15 3.32 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.02 1.16 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 18 A 8.28 4.32 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 19 K 7.74 4.11 0.00 1.77 1.67 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.40 7.81 20 R 8.08 4.34 0.00 1.75 1.93 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 21 L 7.65 4.51 0.00 1.61 1.62 0.91 0.80 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 22 S 7.51 4.64 0.00 3.89 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 23 S 8.16 4.14 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00