NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.1746 8.2993 121.6976 56.1688 34.0012 176.2704 22 T 4.4439 7.1878 106.2755 59.4224 71.2038 169.8684 23 E 5.0748 8.0563 119.6253 54.2909 33.5232 176.5833 24 W 5.2204 8.9238 119.3916 54.2105 28.6582 174.3569 25 P 4.3529 0.0000 0.0000 65.4837 31.2932 178.9453 26 E 4.2022 8.2356 114.8286 57.6898 30.0831 177.0600 27 L 4.3928 8.0718 119.4673 54.8464 42.4289 176.6336 28 V 3.8465 7.2586 120.1275 64.4259 31.6014 176.1898 29 G 4.0031 9.1355 116.6172 45.2024 0.0000 173.7640 30 K 4.3430 7.8722 119.5792 55.5291 32.9819 176.7410 31 S 4.6480 9.0769 117.1344 57.8710 64.9270 175.7314 32 V 3.4966 8.1559 120.8297 66.3806 31.2591 177.8112 33 E 3.9590 8.0924 117.6704 59.2525 29.1476 179.1376 34 E 3.9012 8.0738 118.1202 59.2095 29.5402 179.1699 35 A 3.8836 8.1316 120.9448 55.2085 18.4181 179.8682 36 K 3.7567 8.2682 117.3693 59.2150 31.9481 179.5576 37 K 3.8518 7.9172 120.0303 59.4650 32.1543 179.1533 38 V 3.5851 7.4461 118.5310 65.9208 31.3992 178.0004 39 I 3.1078 7.4456 119.4823 64.3617 36.7876 178.5783 40 L 4.1132 7.9903 119.6070 57.5102 41.0890 179.7660 41 Q 4.0115 7.6638 117.3846 59.1901 28.8120 178.1104 42 D 4.7687 8.0904 118.3952 56.0316 42.3771 177.2324 43 K 4.7302 8.2469 120.6570 54.4564 33.1943 174.1732 44 P 4.5024 0.0000 0.0000 64.1626 31.8238 178.0542 45 A 4.2332 7.9172 119.5329 52.1144 18.8895 176.9730 46 A 4.1836 7.8079 118.7718 52.8475 19.1609 177.8442 47 Q 4.3446 9.4627 122.0514 54.5917 29.9600 174.4917 48 I 4.6856 8.0683 125.1919 59.8798 38.8214 175.5292 49 I 4.4448 8.5015 127.3730 59.3951 40.3741 174.4332 50 V 4.6633 8.3248 126.8653 61.3060 32.9183 174.8374 51 L 4.8995 8.7352 126.9128 52.0416 46.3522 174.1066 52 P 4.5852 0.0000 0.0000 63.9651 31.4004 177.0426 53 V 3.5020 8.7211 125.8771 65.2834 31.7955 177.4201 54 G 3.9605 7.6042 109.5637 44.6951 0.0000 173.0425 55 T 4.6936 7.2728 114.1784 61.7538 72.3408 174.3949 56 I 4.2563 8.1920 125.5874 60.5645 38.3299 175.5966 57 V 4.6407 7.9243 116.4703 59.2418 35.6141 175.4064 58 T 4.1688 8.3707 111.1272 62.2733 69.0955 174.1106 59 R 4.7055 8.1825 119.8197 55.9682 30.8479 177.1168 60 S 4.3141 8.0787 111.6013 58.3032 63.8472 172.7953 61 Y 4.6911 8.5006 122.8611 56.1339 39.5437 175.2217 62 R 4.4179 8.2248 127.9862 53.9803 31.7624 177.0301 63 I 3.3942 8.3016 124.4084 63.5469 38.2840 176.2368 64 D 4.5408 7.9061 117.9078 53.8698 40.2329 175.2527 65 R 4.7650 7.7215 122.2234 55.2289 32.0382 175.0930 66 V 4.5919 8.5877 125.7778 61.0675 34.1831 174.4901 67 R 4.3673 8.6170 127.6043 55.7168 31.1615 176.0103 68 L 4.4734 9.0050 124.9483 53.0615 44.0903 175.2995 69 F 5.3014 8.6352 123.2151 56.0084 41.0661 175.3329 70 V 5.0686 8.7415 117.3991 59.4861 34.9286 176.1124 71 D 5.0367 9.1991 126.6828 53.0076 40.8774 177.7401 72 R 3.9086 8.5519 116.4749 58.9100 29.2134 173.2869 73 L 4.4499 8.2288 114.1136 54.6588 41.8606 176.1972 74 D 4.5059 8.2493 117.2180 55.0640 40.2509 173.1055 75 N 5.0868 7.9395 113.6596 50.6241 40.8370 174.4595 76 I 4.1584 8.5294 121.9621 61.8927 37.4662 176.9498 77 A 4.4959 9.0636 128.2746 52.2753 20.5627 176.6181 78 Q 4.6805 7.7640 112.7705 53.4454 32.2588 175.1705 79 V 3.7604 8.4681 120.6057 62.9015 32.1428 174.0316 80 P 4.6563 0.0000 0.0000 63.1134 32.3069 175.7138 81 R 5.4965 8.5600 121.3131 54.3457 34.6816 174.9384 82 V 3.9468 8.8528 121.7640 62.7743 32.5092 176.4136 83 G 3.0530 8.5545 115.3648 45.1585 0.0000 172.8917 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 21 K 8.30 4.17 0.00 1.62 1.73 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.34 7.81 22 T 7.19 4.44 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 1.22 0.00 0.00 23 E 8.06 5.07 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 24 W 8.92 5.22 0.00 3.32 3.01 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 25 P 0.00 4.35 0.00 2.24 2.35 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 26 E 8.24 4.20 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 27 L 8.07 4.39 0.00 1.97 1.75 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.26 3.85 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 0.77 0.00 0.00 0.99 0.00 0.00 29 G 9.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.34 0.00 1.93 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.53 7.81 31 S 9.08 4.65 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.50 2.05 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 1.08 0.00 0.00 0.89 0.00 0.00 33 E 8.09 3.96 0.00 1.99 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 2.37 2.32 0.00 34 E 8.07 3.90 0.00 2.21 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 0.00 2.31 2.31 0.00 35 A 8.13 3.88 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 36 K 8.27 3.76 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.53 7.81 37 K 7.92 3.85 0.00 1.81 1.93 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 V 7.45 3.59 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 39 I 7.45 3.11 1.45 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.39 0.00 0.00 40 L 7.99 4.11 0.00 1.71 1.68 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.66 4.01 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 42 D 8.09 4.77 0.00 3.22 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 43 K 8.25 4.73 0.00 2.00 1.87 0.00 1.93 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.48 7.81 44 P 0.00 4.50 0.00 2.22 2.18 0.00 3.45 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 45 A 7.92 4.23 1.30 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 0.00 0.00 0.00 46 A 7.81 4.18 1.24 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 0.00 0.00 0.00 47 Q 9.46 4.34 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 48 I 8.07 4.69 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 0.82 0.00 0.00 49 I 8.50 4.44 1.73 0.00 0.00 0.81 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 0.99 0.82 0.00 0.00 50 V 8.32 4.66 2.01 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 0.74 0.00 0.00 0.84 0.00 0.00 51 L 8.74 4.90 0.00 1.41 1.57 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.59 0.00 1.99 2.04 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 53 V 8.72 3.50 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 0.70 0.00 0.00 1.00 0.00 0.00 54 G 7.60 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 0.00 0.00 0.00 55 T 7.27 4.69 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 56 I 8.19 4.26 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.92 0.00 0.00 57 V 7.92 4.64 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.07 0.00 0.00 58 T 8.37 4.17 4.27 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 1.23 0.00 0.00 59 R 8.18 4.71 0.00 1.84 2.00 0.00 3.42 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 60 S 8.08 4.31 0.00 4.02 3.90 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 0.00 0.00 0.00 0.00 61 Y 8.50 4.69 0.00 2.89 2.97 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 62 R 8.22 4.42 0.00 1.71 1.88 0.00 3.32 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 63 I 8.30 3.39 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.89 0.00 0.00 64 D 7.91 4.54 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.77 0.00 1.87 1.86 0.00 2.99 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 66 V 8.59 4.59 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 0.91 0.00 0.00 0.91 0.00 0.00 67 R 8.62 4.37 0.00 1.61 1.06 0.00 3.31 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 68 L 9.01 4.47 0.00 1.32 1.46 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.64 5.30 0.00 3.01 2.97 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 70 V 8.74 5.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.00 0.00 0.00 71 D 9.20 5.04 0.00 2.87 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 72 R 8.55 3.91 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 73 L 8.23 4.45 0.00 1.79 1.72 0.93 1.09 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 74 D 8.25 4.51 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.94 5.09 0.00 3.09 2.79 0.00 0.00 7.03 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.53 4.16 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 0.99 0.00 0.00 77 A 9.06 4.50 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 78 Q 7.76 4.68 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 79 V 8.47 3.76 2.16 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 0.87 0.00 0.00 0.99 0.00 0.00 80 P 0.00 4.66 0.00 2.33 1.96 0.00 4.00 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 81 R 8.56 5.50 0.00 1.79 2.06 0.00 3.33 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 82 V 8.85 3.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.21 0.00 0.00 83 G 8.55 3.05 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