NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6796 8.1633 120.2887 54.9310 34.6007 175.0877 2 I 4.5145 7.5151 115.9028 57.6677 41.0616 169.6837 3 V 2.7785 8.6591 122.4469 62.5737 32.1961 174.1125 4 P 4.3591 0.0000 0.0000 62.5592 32.0832 176.5831 5 V 3.8056 8.5185 121.4834 65.7722 32.3259 175.7818 6 R 5.1188 7.6253 115.6887 53.9249 34.7158 174.6280 7 C 3.8804 8.6165 121.7073 59.6108 31.8931 173.8850 8 F 4.4775 8.5800 125.9786 61.2569 38.8195 177.1944 9 S 4.3654 8.4273 114.4693 61.1104 62.7573 175.0074 10 C 4.6264 7.9851 111.8319 57.3884 31.3397 174.4162 11 G 4.0460 8.6144 107.5192 45.2311 0.0000 173.8618 12 K 3.7914 8.0191 119.9566 56.2786 32.7263 175.1239 13 V 4.2465 8.2300 125.7101 62.6869 32.2247 175.6168 14 V 4.3344 8.8093 125.0320 62.3971 32.9663 176.8446 15 G 3.7761 8.1623 105.9472 46.9997 0.0000 173.3657 16 D 4.9432 7.9761 117.2608 52.8573 40.0319 176.4156 17 K 4.6028 8.1193 117.7871 56.1095 33.4546 177.8299 18 W 4.4711 8.3389 130.6402 60.6190 30.6057 177.8413 19 E 3.8013 8.2357 118.1051 59.5178 28.9742 178.8319 20 S 4.0600 8.1381 114.6139 61.9671 62.7032 175.7063 21 Y 4.0379 8.0192 121.3517 60.9926 38.8598 178.1183 22 L 3.5463 7.5075 120.7329 57.9616 42.1500 178.7855 23 N 4.2077 8.1623 116.7141 56.2262 38.5746 177.2283 24 L 3.9745 8.4046 120.3730 56.9239 41.7108 178.6694 25 L 4.1049 7.2207 118.2826 57.1526 42.6448 177.9646 26 Q 3.9141 7.7278 119.2214 59.2829 28.8176 177.9416 27 E 4.1380 7.9035 120.9765 58.3217 30.0184 177.4315 28 D 4.7393 7.8519 115.7244 53.0886 42.5555 175.3893 29 E 4.3361 7.2847 116.2053 55.9921 27.5977 174.3346 30 L 4.4564 7.3661 117.5097 53.8058 43.9038 176.4912 31 D 4.9733 8.0324 118.5402 51.8555 42.7310 176.7761 32 E 3.9374 8.8761 120.9240 59.8839 29.3661 180.1869 33 G 3.6042 8.0340 104.9536 48.2606 0.0000 175.8712 34 T 3.9530 7.8024 117.1715 65.9349 68.2488 176.7166 35 A 4.0340 8.6783 123.0084 55.3523 18.6870 179.4333 36 L 4.1832 8.3425 117.4685 58.1974 41.7583 180.0043 37 S 4.2170 7.9889 114.8179 61.4731 62.5520 176.4400 38 R 4.2054 8.0046 118.7760 57.5493 29.9866 177.6102 39 L 4.5490 7.7548 117.9707 54.1347 42.1765 177.2073 40 G 3.9446 7.9977 107.6638 45.4091 0.0000 175.0154 41 L 4.3342 7.4024 120.5651 53.6102 40.1944 176.3434 42 K 4.1641 8.1944 121.8054 58.6401 33.9896 178.7023 43 R 4.2263 7.6326 116.5622 54.5840 30.7658 176.6776 44 Y 4.3456 8.3805 120.5221 60.0020 37.3483 178.7409 45 C 4.2346 7.6032 115.7010 61.7910 29.7404 175.2261 46 C 4.2291 7.9846 119.0824 61.9668 27.6105 176.1835 47 R 3.9073 7.8651 119.7587 59.3145 29.8090 178.8283 48 R 3.9135 7.9952 115.6559 59.6669 28.8631 178.1902 49 M 3.7684 7.2889 117.0152 58.3637 32.4374 177.7619 50 I 3.9770 7.3744 118.6859 63.6412 37.7275 177.6432 51 L 3.9856 7.6117 119.9853 57.8719 41.9317 177.7890 52 T 4.3906 7.5904 112.9999 63.9557 69.6107 174.6123 53 H 4.0085 7.5417 120.4136 56.3295 30.1896 174.7637 54 V 4.1285 7.1870 122.5082 60.4729 33.1466 176.5251 55 D 4.7440 8.3017 130.1790 53.7939 37.5205 176.2579 56 L 3.8896 7.4251 121.6134 56.3472 42.1748 178.5627 57 I 3.8234 7.5374 119.4220 64.0866 37.7056 177.3570 58 E 3.9582 7.5947 117.3789 59.2305 29.3831 178.9590 59 K 4.1429 7.6429 118.0472 58.5077 32.3167 179.2024 60 F 4.8935 7.5303 117.8862 60.6715 38.7787 177.3940 61 L 4.1609 8.3038 117.7669 57.3151 41.4655 178.8320 62 R 4.1791 7.3902 116.1999 55.9103 30.4261 175.5928 63 Y 4.4800 7.5717 118.1131 56.3852 38.9932 174.7133 64 N 4.3704 9.0274 124.4573 55.6358 39.3509 172.6319 65 P 4.5376 0.0000 0.0000 62.7234 31.6253 174.8124 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 8.16 4.68 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.37 2.85 0.00 2 I 7.52 4.51 1.85 0.00 0.00 0.90 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 0.77 0.83 0.00 0.00 3 V 8.66 2.78 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.38 0.00 0.00 4 P 0.00 4.36 0.00 1.78 1.91 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 5 V 8.52 3.81 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 6 R 7.63 5.12 0.00 1.68 1.92 0.00 3.26 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 C 8.62 3.88 0.00 2.92 2.75 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 8 F 8.58 4.48 0.00 3.08 3.02 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 S 8.43 4.37 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.99 4.63 0.00 3.01 2.98 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 0.00 0.00 0.00 0.00 11 G 8.61 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.02 3.79 0.00 1.73 1.68 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.40 7.81 13 V 8.23 4.25 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 0.87 0.00 0.00 0.93 0.00 0.00 14 V 8.81 4.33 1.98 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 0.85 0.00 0.00 0.86 0.00 0.00 15 G 8.16 3.78 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 0.00 0.00 0.00 16 D 7.98 4.94 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.60 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.37 1.35 7.81 18 W 8.34 4.47 0.00 3.31 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 E 8.24 3.80 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 20 S 8.14 4.06 0.00 4.03 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 21 Y 8.02 4.04 0.00 2.97 3.11 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 22 L 7.51 3.55 0.00 1.56 1.35 0.02 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.16 4.21 0.00 2.82 2.76 0.00 0.00 7.03 6.75 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 24 L 8.40 3.97 0.00 1.65 1.64 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.22 4.10 0.00 1.59 1.47 0.48 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.73 3.91 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 27 E 7.90 4.14 0.00 1.94 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 2.27 2.27 0.00 28 D 7.85 4.74 0.00 2.72 2.62 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 29 E 7.28 4.34 0.00 2.07 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 2.25 2.27 0.00 30 L 7.37 4.46 0.00 1.83 1.58 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.03 4.97 0.00 2.85 2.75 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 32 E 8.88 3.94 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 33 G 8.03 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.80 3.95 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 1.22 0.00 0.00 35 A 8.68 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.34 4.18 0.00 1.93 1.75 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.99 4.22 0.00 3.86 3.93 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 0.00 0.00 0.00 38 R 8.00 4.21 0.00 2.00 2.00 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 39 L 7.75 4.55 0.00 1.85 1.73 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.00 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 0.00 0.00 0.00 41 L 7.40 4.33 0.00 1.76 1.63 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.19 4.16 0.00 1.85 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.39 7.81 43 R 7.63 4.23 0.00 1.73 1.94 0.00 2.86 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 44 Y 8.38 4.35 0.00 3.21 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.60 4.23 0.00 3.15 3.10 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 0.00 0.00 0.00 46 C 7.98 4.23 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.87 3.91 0.00 2.02 2.00 0.00 3.38 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 48 R 8.00 3.91 0.00 2.14 2.27 0.00 2.87 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 49 M 7.29 3.77 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 50 I 7.37 3.98 1.58 0.00 0.00 0.90 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 1.03 0.22 0.00 0.00 51 L 7.61 3.99 0.00 1.57 1.85 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.59 4.39 4.50 0.00 0.00 0.00 0.00 0.00 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 53 H 7.54 4.01 0.00 3.09 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.19 4.13 1.97 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 0.81 0.00 0.00 0.96 0.00 0.00 55 D 8.30 4.74 0.00 3.01 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.43 3.89 0.00 1.52 0.97 0.95 0.61 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 57 I 7.54 3.82 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 1.00 0.00 0.00 58 E 7.59 3.96 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 59 K 7.64 4.14 0.00 1.65 1.73 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 60 F 7.53 4.89 0.00 3.28 3.07 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 0.00 0.00 0.00 0.00 61 L 8.30 4.16 0.00 1.64 1.80 0.98 1.01 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 62 R 7.39 4.18 0.00 1.56 1.77 0.00 3.09 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 63 Y 7.57 4.48 0.00 3.17 2.92 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 64 N 9.03 4.37 0.00 2.71 2.90 0.00 0.00 7.03 7.69 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 65 P 0.00 4.54 0.00 2.21 2.01 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00