NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2658 8.3044 120.3495 54.5462 33.3219 174.1969 2 K 3.6009 8.6323 123.7637 56.3897 32.3248 175.0595 3 R 4.3038 8.2690 126.4086 55.5872 31.8252 177.5383 4 T 3.9311 8.5951 111.1678 64.0878 68.6209 173.6743 5 F 4.8240 7.6592 123.4213 56.8057 39.9788 175.4722 6 Q 4.3664 8.9091 127.3676 53.4381 30.3510 172.5984 7 P 4.5664 0.0000 0.0000 63.3265 32.3677 176.7195 8 S 4.9495 8.5850 108.9893 58.5671 63.9117 177.8590 9 V 3.6094 7.2044 125.4161 65.4005 32.1871 179.0548 10 L 3.9361 8.0475 120.9268 57.5680 42.1549 178.1658 11 K 4.1805 8.5292 119.3616 58.8263 31.6638 178.1701 12 R 3.8455 8.0609 118.5643 59.9356 29.8496 177.6041 13 N 4.6232 8.3836 116.1591 55.9648 38.7865 176.0886 14 R 4.3358 8.2053 118.3571 57.0834 30.4946 176.4063 15 S 4.7613 7.9092 111.1962 59.3689 64.6141 174.2587 16 H 4.8259 7.9815 115.0342 54.7747 31.6610 174.2123 17 G 3.9690 8.0400 107.2306 43.7068 0.0000 174.4141 18 F 4.1989 8.9577 124.3926 61.7047 39.0631 177.7755 19 R 3.5325 8.1279 115.3066 59.4352 30.0106 178.0462 20 A 4.1858 7.8887 118.2399 53.6721 18.5711 179.1976 21 R 3.9918 8.4426 118.7905 59.3070 30.1413 177.3309 22 M 4.1779 7.3232 113.6898 55.3228 33.6931 176.4419 23 A 4.2920 7.7394 122.5701 48.8233 17.8766 174.7814 24 T 4.3478 7.1701 124.3552 61.0104 69.7344 172.2143 25 K 4.2970 8.2845 129.8092 56.9489 32.1909 176.3022 26 N 4.8334 7.9712 115.2000 54.1788 41.0632 176.2905 27 G 3.7313 7.7088 105.0829 47.4304 0.0000 175.8062 28 R 3.5760 8.5057 119.8397 59.0363 29.1228 178.1227 29 Q 3.4493 8.2240 119.0967 58.5303 28.9538 177.7765 30 V 4.0500 8.6677 118.9201 64.1429 31.7389 177.0475 31 L 4.2204 8.9288 119.0392 57.2477 41.5665 178.4462 32 A 3.9996 7.6169 120.2692 55.3454 18.1764 179.8340 33 R 3.9694 7.8944 115.1904 58.9667 29.9213 179.3198 34 R 4.0718 7.4981 117.5722 59.2322 30.2592 178.7164 35 R 4.3886 8.2738 116.1213 57.2978 30.2133 177.7654 36 A 4.3872 7.8321 119.3831 52.8482 19.0762 178.2665 37 K 4.3352 7.5197 114.7822 55.9271 32.8224 175.6467 38 G 3.7263 8.4766 108.2010 41.5379 0.0000 169.6186 39 R 3.7529 8.0645 129.1491 54.2322 31.2232 175.4621 40 A 3.7372 8.5855 127.7869 55.7998 18.1104 178.2316 41 R 4.1642 8.2479 123.3431 53.9788 29.4958 177.1200 42 L 4.0487 8.1827 125.4109 58.2063 42.2545 178.3557 43 T 4.3173 7.9351 106.9953 62.1020 70.2640 173.2884 44 V 3.3501 7.7273 112.0203 62.7055 29.0393 173.5091 45 S 4.7676 7.9012 107.9177 58.1363 63.8052 174.5286 46 K 4.1895 7.9704 125.8676 57.2593 32.2232 176.0456 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 M 8.30 4.27 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 K 8.63 3.60 0.00 1.84 1.78 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.67 7.81 3 R 8.27 4.30 0.00 1.91 1.88 0.00 3.39 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 4 T 8.60 3.93 4.26 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 1.23 0.00 0.00 5 F 7.66 4.82 0.00 3.03 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 6 Q 8.91 4.37 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 7 P 0.00 4.57 0.00 2.13 1.89 0.00 3.71 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 8 S 8.59 4.95 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 3.61 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 0.76 0.00 0.00 0.95 0.00 0.00 10 L 8.05 3.94 0.00 1.67 1.76 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.53 4.18 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 12 R 8.06 3.85 0.00 1.94 1.98 0.00 3.31 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 13 N 8.38 4.62 0.00 2.83 3.01 0.00 0.00 6.87 6.93 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 14 R 8.21 4.34 0.00 2.13 2.01 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 S 7.91 4.76 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.98 4.83 0.00 3.39 3.26 0.00 5.84 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 17 G 8.04 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 18 F 8.96 4.20 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.53 0.00 1.80 1.98 0.00 3.29 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 20 A 7.89 4.19 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.44 3.99 0.00 1.85 2.06 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 22 M 7.32 4.18 0.00 1.33 1.37 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 23 A 7.74 4.29 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 24 T 7.17 4.35 4.20 0.00 0.00 0.00 0.00 0.00 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 25 K 8.28 4.30 0.00 1.74 1.77 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 26 N 7.97 4.83 0.00 2.67 2.76 0.00 0.00 7.05 7.98 0.00 0.00 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 G 7.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.51 3.58 0.00 1.97 2.33 0.00 2.80 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 29 Q 8.22 3.45 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 30 V 8.67 4.05 2.23 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 0.99 0.00 0.00 0.95 0.00 0.00 31 L 8.93 4.22 0.00 1.89 1.76 1.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.62 4.00 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 33 R 7.89 3.97 0.00 1.78 2.02 0.00 3.27 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 34 R 7.50 4.07 0.00 2.09 1.99 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 35 R 8.27 4.39 0.00 1.85 1.96 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 36 A 7.83 4.39 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.52 4.34 0.00 2.05 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.56 7.81 38 G 8.48 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.06 3.75 0.00 2.04 1.98 0.00 3.31 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 40 A 8.59 3.74 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 41 R 8.25 4.16 0.00 1.89 1.91 0.00 3.15 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 42 L 8.18 4.05 0.00 1.54 1.66 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.94 4.32 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 1.31 0.00 0.00 44 V 7.73 3.35 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 0.76 0.00 0.00 0.95 0.00 0.00 45 S 7.90 4.77 0.00 4.03 4.01 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 46 K 7.97 4.19 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81