NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3460 8.0333 110.9391 60.9502 69.0592 173.6565 3 E 3.6401 8.5460 130.4959 57.5404 30.0100 174.6583 4 E 4.1480 8.1377 117.5164 57.0419 29.8516 175.7462 5 T 4.0147 7.4021 112.0288 63.9201 67.2646 175.3553 6 I 3.8178 7.6971 114.7050 64.2722 37.4857 177.7829 7 T 4.3113 7.9576 117.7844 64.8549 68.4776 176.4108 8 I 3.9272 7.5063 115.4330 63.8305 37.8988 177.7322 9 D 4.3226 7.9306 119.6245 56.9775 41.0016 178.1154 10 S 4.2320 8.1917 114.7909 61.1283 63.0594 176.5730 11 I 3.7728 7.4536 123.9738 64.2133 36.8160 178.4397 12 S 4.1288 7.8954 115.7164 61.6053 62.7606 176.0751 13 N 4.4347 8.1782 119.4977 56.3573 38.7360 177.0816 14 G 3.6173 8.1722 107.1757 47.9658 0.0000 175.3239 15 I 3.6830 7.6886 123.0479 64.0103 37.1968 177.9833 16 L 3.9357 7.7138 120.2253 58.5269 41.9169 178.8689 17 N 4.3934 8.1644 116.0628 56.1443 38.2717 177.2881 18 N 4.3139 8.0029 117.8836 56.4658 38.6223 177.3264 19 L 3.9624 7.8054 120.0618 57.8767 41.5769 179.8138 20 L 4.0288 8.0313 118.9176 58.0957 41.6558 179.6018 21 T 3.9058 7.9791 115.6607 66.5749 68.2750 177.0522 22 T 3.8530 8.1453 118.0647 66.7214 68.5359 176.6870 23 L 4.0079 7.6499 120.9386 57.8876 41.6325 179.7082 24 I 3.7381 8.0059 119.8983 64.4407 37.0104 178.5716 25 Q 4.0265 8.1938 118.9828 58.9575 28.5001 178.4697 26 D 4.3650 8.2726 120.0133 57.4273 40.7810 178.9525 27 I 3.7475 7.9175 120.3995 64.3471 36.8973 178.7376 28 V 3.6908 7.6901 117.9480 65.8578 31.5517 177.6958 29 A 4.1272 8.1903 120.6986 54.9766 17.9603 179.6072 30 R 3.8636 7.6536 116.2838 59.5530 30.2690 178.2408 31 E 4.2536 7.7788 115.3806 57.1006 29.6548 176.7019 32 T 4.3179 6.7494 116.2038 63.3199 69.5976 174.6544 33 T 3.4962 8.8032 120.1519 62.3689 67.8812 171.0885 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 2 T 8.03 4.35 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 3 E 8.55 3.64 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 4 E 8.14 4.15 0.00 2.41 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 2.21 2.27 0.00 5 T 7.40 4.01 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 6 I 7.70 3.82 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 1.64 0.52 0.91 0.00 0.00 7 T 7.96 4.31 4.34 0.00 0.00 0.00 0.00 0.00 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 8 I 7.51 3.93 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 1.38 0.91 0.91 0.00 0.00 9 D 7.93 4.32 0.00 2.73 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.19 4.23 0.00 4.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 3.77 2.08 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 1.52 1.01 0.91 0.00 0.00 12 S 7.90 4.13 0.00 3.97 3.91 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 13 N 8.18 4.43 0.00 2.87 2.95 0.00 0.00 7.12 7.27 0.00 0.00 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 8.17 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 15 I 7.69 3.68 2.04 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 1.21 0.91 0.00 0.00 16 L 7.71 3.94 0.00 1.76 1.91 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.16 4.39 0.00 2.99 2.85 0.00 0.00 7.09 6.55 0.00 0.00 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 N 8.00 4.31 0.00 2.88 2.86 0.00 0.00 6.90 6.64 0.00 0.00 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 L 7.81 3.96 0.00 1.86 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.03 4.03 0.00 1.88 1.71 0.97 0.52 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 21 T 7.98 3.91 4.35 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 0.00 0.00 0.00 1.26 0.00 0.00 22 T 8.15 3.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 L 7.65 4.01 0.00 1.76 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.01 3.74 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 1.52 0.95 0.91 0.00 0.00 25 Q 8.19 4.03 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 26 D 8.27 4.36 0.00 2.85 2.71 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 27 I 7.92 3.75 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 1.38 0.91 0.00 0.00 28 V 7.69 3.69 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 0.81 0.00 0.00 0.95 0.00 0.00 29 A 8.19 4.13 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.65 3.86 0.00 1.91 2.10 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 31 E 7.78 4.25 0.00 2.03 1.99 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 2.63 2.49 0.00 32 T 6.75 4.32 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 1.21 0.00 0.00 33 T 8.80 3.50 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