NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4441 8.2649 123.5826 51.6067 21.0307 176.8201 3 K 4.4153 7.6590 119.6354 56.1177 33.3888 173.6627 4 H 3.6309 9.8736 121.9706 61.1515 30.2535 174.5090 5 P 4.6164 0.0000 0.0000 62.4586 32.9708 175.6305 6 V 4.3064 7.5431 116.2154 61.2995 33.9357 170.6736 7 P 4.4017 0.0000 0.0000 62.7585 31.9450 176.3992 8 K 4.1345 8.7013 122.7774 58.4795 32.5864 177.1463 9 K 4.6202 7.5735 115.6505 53.6665 35.4347 175.8868 10 K 3.8094 8.7408 123.7079 56.9791 32.4528 176.3161 11 T 3.9698 8.4618 123.3070 63.1517 68.8714 175.0425 12 S 4.2736 8.7057 122.0326 58.5925 64.5784 175.7444 13 K 3.9541 8.4757 120.9838 59.4043 31.4016 179.3849 14 A 3.9594 7.9483 120.5594 55.3802 18.1472 179.4722 15 R 3.8853 7.5746 115.4821 59.8327 30.3323 178.3148 16 R 3.9912 8.1667 116.2457 59.0256 29.4388 178.2698 17 D 4.3807 8.7161 120.9452 55.8891 41.1364 178.1453 18 A 4.5134 7.5828 118.9425 52.4275 19.1824 178.2661 19 R 4.1145 8.4366 116.8472 57.5804 30.5873 177.2287 20 R 3.9865 7.2400 115.4655 56.1261 30.3295 177.5732 21 S 4.2420 7.6207 114.0069 60.3259 62.9657 174.4783 22 H 4.9503 7.6923 117.6023 56.1051 29.3356 174.0342 23 H 4.6715 8.0939 118.0651 56.3276 29.4677 175.7356 24 A 3.8989 8.1168 121.2232 52.5049 18.3352 177.3405 25 L 4.1723 8.4453 123.0091 54.7419 42.4586 176.7409 26 T 4.4071 8.1601 111.8291 59.0031 69.5291 172.6129 27 P 4.0909 0.0000 0.0000 62.1430 31.3554 174.0147 28 P 4.0913 0.0000 0.0000 63.2348 31.5707 175.4498 29 T 4.4089 8.3780 114.7464 60.9988 68.2644 173.1327 30 L 5.0450 8.4114 128.0228 53.2145 45.1382 175.8031 31 V 4.3219 9.0598 113.6979 60.5679 36.3835 175.4005 32 P 3.8332 0.0000 0.0000 65.3937 30.2759 176.1346 33 C 4.4964 10.0208 121.5350 60.0833 29.5226 170.5816 34 P 3.5556 0.0000 0.0000 64.8001 32.4109 177.1377 35 E 4.0318 8.2075 118.1016 57.2285 30.1430 176.6657 36 C 4.7984 8.8230 116.7650 58.5219 35.2120 173.9979 37 K 4.0291 9.2872 125.5613 60.2799 32.3739 177.1573 38 A 3.8168 7.6040 120.2086 50.3797 19.0110 176.6210 39 M 4.8376 8.6317 121.9371 54.4695 33.3015 175.8296 40 K 4.6276 9.4034 119.7620 54.8773 36.3867 173.0286 41 P 5.0263 0.0000 0.0000 61.8546 31.6292 174.2887 42 P 4.3715 0.0000 0.0000 63.5897 31.9613 175.8562 43 H 4.1849 8.6444 112.7519 56.7524 27.0425 175.7652 44 T 4.5334 7.2556 110.7847 60.7725 69.3440 174.3785 45 V 3.5131 7.4752 121.9152 60.6488 33.4406 175.1017 46 C 3.8748 8.3984 128.2609 59.1124 31.0856 172.6956 47 P 4.4097 0.0000 0.0000 62.5666 30.0352 176.5371 48 E 4.7629 8.5865 120.1453 58.4767 37.4300 176.7783 49 C 3.9681 8.1515 120.5121 59.1239 30.4173 174.9156 50 G 3.7956 7.3343 110.1948 44.9899 0.0000 174.2192 51 Y 4.3425 7.9624 114.3663 57.5771 37.6666 175.2556 52 Y 4.6836 7.3408 120.1493 56.5705 41.0865 174.9811 53 A 3.8372 8.7358 121.1467 53.0505 16.1443 175.6375 54 G 4.3158 7.6685 109.1880 45.1874 0.0000 173.5493 55 R 4.3350 8.1899 120.1174 54.3797 28.3903 175.2881 56 K 4.2530 7.5062 118.9007 56.3439 34.4833 177.1679 57 V 3.6503 8.3658 114.5858 62.6739 30.6528 176.9208 58 L 4.8393 8.3851 121.1215 53.5488 46.1278 175.6380 59 E 4.7757 8.4264 120.0524 55.0715 33.5944 175.9178 60 V 3.9978 8.0748 118.1674 63.7149 31.8442 174.8797 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 A 8.26 4.44 1.29 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 0.00 0.00 0.00 3 K 7.66 4.42 0.00 1.77 1.56 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.54 7.81 4 H 9.87 3.63 0.00 3.11 3.12 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.62 0.00 2.09 1.98 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 6 V 7.54 4.31 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 0.74 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.40 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.70 4.13 0.00 1.72 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 K 7.57 4.62 0.00 1.73 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 10 K 8.74 3.81 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 T 8.46 3.97 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 12 S 8.71 4.27 0.00 4.04 4.03 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 13 K 8.48 3.95 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.50 7.81 14 A 7.95 3.96 1.31 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 0.00 0.00 0.00 15 R 7.57 3.89 0.00 1.80 1.97 0.00 3.27 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 16 R 8.17 3.99 0.00 2.10 2.33 0.00 2.86 0.00 0.00 3.17 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 17 D 8.72 4.38 0.00 2.79 2.78 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 18 A 7.58 4.51 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 19 R 8.44 4.11 0.00 1.78 2.08 0.00 3.29 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 R 7.24 3.99 0.00 2.08 1.92 0.00 3.36 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 21 S 7.62 4.24 0.00 3.85 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 22 H 7.69 4.95 0.00 3.11 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.09 4.67 0.00 3.16 3.32 0.00 5.70 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 24 A 8.12 3.90 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 25 L 8.45 4.17 0.00 1.65 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.16 4.41 4.25 0.00 0.00 0.00 0.00 0.00 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 27 P 0.00 4.09 0.00 2.19 2.16 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 28 P 0.00 4.09 0.00 2.19 2.14 0.00 3.74 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 2.00 1.99 0.00 29 T 8.38 4.41 4.25 0.00 0.00 0.00 0.00 0.00 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 30 L 8.41 5.05 0.00 1.54 1.53 0.92 0.90 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 31 V 9.06 4.32 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 0.82 0.00 0.00 1.03 0.00 0.00 32 P 0.00 3.83 0.00 2.18 1.87 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 33 C 10.02 4.50 0.00 2.98 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.56 0.00 2.33 1.97 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 35 E 8.21 4.03 0.00 1.97 2.04 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 2.44 2.34 0.00 36 C 8.82 4.80 0.00 2.88 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 37 K 9.29 4.03 0.00 1.90 1.93 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 A 7.60 3.82 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 39 M 8.63 4.84 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 40 K 9.40 4.63 0.00 1.75 1.82 0.00 1.20 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.38 7.81 41 P 0.00 5.03 0.00 2.09 2.11 0.00 3.35 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 1.96 1.80 0.00 42 P 0.00 4.37 0.00 2.36 2.28 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 43 H 8.64 4.18 0.00 3.34 3.47 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.26 4.53 4.16 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 1.28 0.00 0.00 45 V 7.48 3.51 1.89 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 0.60 0.00 0.00 0.58 0.00 0.00 46 C 8.40 3.87 0.00 2.90 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 47 P 0.00 4.41 0.00 2.18 2.10 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 48 E 8.59 4.76 0.00 1.92 1.77 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 2.22 2.26 0.00 49 C 8.15 3.97 0.00 3.07 3.06 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 0.00 0.00 0.00 50 G 7.33 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.96 4.34 0.00 2.80 2.22 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 52 Y 7.34 4.68 0.00 2.94 2.94 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 53 A 8.74 3.84 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 4.32 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 0.00 0.00 0.00 55 R 8.19 4.34 0.00 1.78 1.87 0.00 3.31 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 56 K 7.51 4.25 0.00 2.02 1.84 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.62 7.81 57 V 8.37 3.65 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 0.70 0.00 0.00 0.94 0.00 0.00 58 L 8.39 4.84 0.00 1.57 1.51 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.43 4.78 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 60 V 8.07 4.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00