NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 R 4.3415 8.2549 119.7041 55.6923 31.8372 175.3209 14 R 4.2879 7.3052 112.3029 55.6592 32.3529 174.2990 15 G 4.1495 7.2308 110.6300 46.5442 0.0000 171.5418 16 P 4.1441 0.0000 0.0000 63.3199 32.1580 176.0186 17 N 3.8882 7.8947 112.1971 54.3209 36.7323 173.2985 18 L 4.7156 7.9306 126.0579 53.0543 41.4627 175.9256 19 N 5.0102 7.7466 115.6333 51.3276 41.5911 174.7155 20 I 4.3921 8.1679 122.4574 59.5538 38.9189 175.4350 21 V 4.2654 8.0776 123.9946 60.7917 33.9080 174.6604 22 L 4.2466 8.5788 127.6275 54.8038 41.2357 176.1586 23 T 4.6102 7.9496 117.2412 60.4150 70.5169 172.5063 24 C 4.3541 8.6525 128.3052 58.4213 32.0210 172.2468 25 P 4.4799 0.0000 0.0000 64.1096 31.3641 176.5308 26 E 4.0727 7.6812 120.5631 58.7061 30.1052 177.1474 27 C 4.0872 7.8719 115.0534 58.2776 30.6144 170.7072 28 K 4.0181 8.1441 124.9621 55.2612 30.6866 174.9906 29 V 4.3441 7.8305 115.2908 59.9672 35.0496 174.1543 30 Y 4.5908 7.8377 121.4624 59.7756 38.3680 174.4837 31 P 4.5586 0.0000 0.0000 61.3634 31.2258 173.9394 32 P 4.5160 0.0000 0.0000 61.4650 32.7084 175.9630 33 K 4.3139 8.5301 122.6285 56.3489 32.8158 175.1252 34 I 4.9458 8.3253 121.2774 58.9740 40.1319 174.9172 35 V 4.2872 8.8265 126.1550 61.0027 33.7268 174.0618 36 E 4.4266 8.9471 129.8441 55.9749 30.0157 176.3206 37 R 4.4166 8.6189 128.6342 54.7199 29.8410 177.2713 38 F 3.8453 8.7272 126.9393 60.8107 39.8790 177.3499 39 S 4.4630 8.2484 113.0441 60.0754 62.8275 174.0785 40 E 4.5035 7.8128 118.1286 54.9750 31.1161 175.8424 41 G 3.7526 7.9725 106.9750 46.5300 0.0000 172.8071 42 D 5.2063 7.8960 117.7588 51.9468 45.5876 175.1184 43 V 4.5422 8.4921 119.7699 61.2982 34.0292 174.3646 44 V 4.7571 8.6887 128.3703 61.0857 34.5425 174.1347 45 C 4.7655 8.8860 127.9350 58.9055 31.6200 173.8811 46 A 3.9414 8.9152 130.0477 55.2749 18.1608 178.5758 47 L 3.9962 8.2946 116.6049 57.8530 42.3321 177.3888 48 C 4.4950 8.1380 110.4858 57.5728 31.0634 174.6756 49 G 3.8856 8.2605 108.5312 44.9163 0.0000 172.9886 50 L 4.1607 7.5831 122.6786 54.8124 43.1874 176.3119 51 V 3.8096 8.3793 119.9536 62.1346 31.9555 174.5133 52 L 4.1954 9.3117 126.1739 54.8424 41.3291 176.5290 53 S 4.7983 8.1607 114.9009 57.5548 65.8703 174.0726 54 D 5.2014 8.3112 123.1426 52.3232 42.2359 175.4036 55 K 3.7017 8.3940 112.4245 57.9722 29.0301 174.6736 56 L 4.0865 7.2600 117.9826 54.0989 42.9214 176.9843 57 V 4.3151 7.9278 121.2630 60.8931 33.4866 174.6756 58 D 4.8502 8.7168 126.4908 54.1146 41.6657 176.6065 59 T 4.1903 8.8567 124.1514 67.0188 68.7651 176.9475 60 R 4.2142 8.2670 119.4757 58.9227 29.9417 179.1696 61 S 4.1588 8.0671 114.6851 61.6397 63.1232 176.2441 62 E 4.0477 8.2529 123.1654 58.2899 29.4850 178.1942 63 W 4.6353 8.5797 128.6686 60.5381 30.6971 178.3249 64 R 4.0102 8.3919 118.1100 59.6104 29.5319 178.8062 65 T 4.0755 7.9431 110.8388 63.9042 67.3224 175.1087 66 F 4.7010 8.0031 115.3844 59.4676 39.0242 177.9804 67 S 3.6621 7.7334 114.5181 59.8219 62.5914 173.8445 68 N 4.5151 7.9175 124.1258 53.5024 38.8696 173.6736 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 13 R 8.25 4.34 0.00 1.81 2.05 0.00 3.10 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 14 R 7.31 4.29 0.00 1.81 1.70 0.00 3.17 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 15 G 7.23 4.15 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 0.00 0.00 0.00 16 P 0.00 4.14 0.00 2.18 2.19 0.00 3.91 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 17 N 7.89 3.89 0.00 2.78 2.81 0.00 0.00 6.81 7.78 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 18 L 7.93 4.72 0.00 1.62 1.58 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.75 5.01 0.00 2.65 2.69 0.00 0.00 7.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.17 4.39 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 1.30 0.55 0.91 0.00 0.00 21 V 8.08 4.27 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 0.85 0.00 0.00 0.93 0.00 0.00 22 L 8.58 4.25 0.00 1.69 1.64 0.94 0.84 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 23 T 7.95 4.61 4.29 0.00 0.00 0.00 0.00 0.00 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 24 C 8.65 4.35 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.48 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 26 E 7.68 4.07 0.00 1.93 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 2.28 2.35 0.00 27 C 7.87 4.09 0.00 3.10 3.03 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 0.00 0.00 0.00 28 K 8.14 4.02 0.00 1.85 1.80 0.00 1.75 0.00 0.00 1.40 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.45 7.81 29 V 7.83 4.34 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 0.64 0.00 0.00 0.92 0.00 0.00 30 Y 7.84 4.59 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.56 0.00 2.19 2.14 0.00 3.56 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 32 P 0.00 4.52 0.00 2.22 2.11 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 33 K 8.53 4.31 0.00 1.87 1.76 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 34 I 8.33 4.95 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.92 0.00 0.00 35 V 8.83 4.29 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 1.04 0.00 0.00 0.94 0.00 0.00 36 E 8.95 4.43 0.00 2.08 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 0.00 2.37 2.40 0.00 37 R 8.62 4.42 0.00 1.80 2.03 0.00 3.61 0.00 0.00 3.13 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 38 F 8.73 3.85 0.00 3.14 3.03 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 0.00 0.00 0.00 39 S 8.25 4.46 0.00 4.06 4.04 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 0.00 0.00 0.00 40 E 7.81 4.50 0.00 1.90 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 2.19 2.32 0.00 41 G 7.97 3.75 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 0.00 0.00 0.00 42 D 7.90 5.21 0.00 2.56 2.50 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 0.00 43 V 8.49 4.54 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 0.85 0.00 0.00 0.92 0.00 0.00 44 V 8.69 4.76 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 0.95 0.00 0.00 0.93 0.00 0.00 45 C 8.89 4.77 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.00 0.00 1.61 1.70 0.91 0.85 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 48 C 8.14 4.50 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.26 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 0.00 0.00 0.00 50 L 7.58 4.16 0.00 1.79 1.55 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.38 3.81 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 0.73 0.00 0.00 0.92 0.00 0.00 52 L 9.31 4.20 0.00 1.57 1.52 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.16 4.80 0.00 3.75 3.74 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 54 D 8.31 5.20 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.39 3.70 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.41 7.81 56 L 7.26 4.09 0.00 1.07 0.64 0.62 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.93 4.32 2.12 0.00 0.00 0.00 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 0.93 0.00 0.00 58 D 8.72 4.85 0.00 2.88 2.69 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 0.00 0.00 0.00 0.00 59 T 8.86 4.19 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 R 8.27 4.21 0.00 1.82 2.01 0.00 2.98 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 61 S 8.07 4.16 0.00 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.25 4.05 0.00 2.14 2.15 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 2.29 2.35 0.00 63 W 8.58 4.64 0.00 3.82 3.09 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 0.00 0.00 0.00 0.00 64 R 8.39 4.01 0.00 2.23 2.02 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 65 T 7.94 4.08 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 1.41 0.00 0.00 66 F 8.00 4.70 0.00 3.14 3.22 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 67 S 7.73 3.66 0.00 3.87 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 68 N 7.92 4.52 0.00 2.62 2.64 0.00 0.00 7.05 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00