NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.3027 8.3149 120.1342 56.1007 33.5349 174.9153 14 L 4.0939 8.2223 119.0142 53.7591 42.2457 174.7331 15 P 4.3958 0.0000 0.0000 63.1810 32.6691 175.7009 16 N 5.0538 8.6809 117.1844 52.4413 37.9417 174.0211 17 T 4.7263 7.6296 107.0349 60.2524 71.9286 173.1731 18 V 4.4538 8.1799 121.5117 61.2105 34.5241 174.8876 19 S 4.6545 8.5193 121.6643 56.6672 65.9795 173.2657 20 L 4.5337 8.4747 125.1645 53.6408 42.6413 176.3727 21 V 4.5245 7.9504 114.9111 60.1734 35.9292 173.9832 22 A 4.5222 7.8217 122.1232 51.7867 21.6886 175.4908 23 G 4.2484 8.0427 107.4350 45.5884 0.0000 172.5078 24 S 4.5982 8.4246 113.3482 57.0134 65.7803 173.2776 25 S 4.5009 7.8716 112.4969 58.1166 64.5004 175.7227 26 E 4.3636 8.6356 124.9668 55.6627 30.7529 175.7019 27 G 4.1388 7.7566 106.0933 45.0778 0.0000 173.9118 28 E 4.1503 8.8437 120.4769 58.3520 30.0000 177.5393 29 T 4.7708 7.4320 108.0121 58.2524 73.3847 172.8372 30 P 4.2356 0.0000 0.0000 65.8380 31.3318 178.7883 31 L 4.1361 7.9041 118.5279 58.2730 41.9844 178.5990 32 N 4.3854 8.3258 116.3632 55.9573 38.3856 177.3814 33 A 4.1464 8.2992 122.6783 55.0237 18.4706 179.2975 34 F 4.0970 8.7342 119.6771 61.6208 39.4252 176.8052 35 D 4.3310 8.6022 117.8889 57.3465 40.9613 178.4827 36 G 3.6344 8.5190 107.4455 47.0929 0.0000 175.5928 37 A 3.9324 8.2219 123.5193 54.8547 18.4161 179.7526 38 L 3.7284 7.7269 117.5567 57.7877 41.4381 179.6477 39 L 3.9152 7.6832 117.7577 57.9593 41.6755 178.9321 40 N 4.3705 8.1337 115.4153 56.4104 38.9026 176.2883 41 A 4.6764 7.0652 122.5483 52.3771 18.7241 178.2297 42 G 4.0718 8.1405 104.8708 45.2846 0.0000 173.6165 43 I 4.6387 7.2127 112.1509 60.3542 37.9159 176.6730 44 G 3.7232 8.2987 110.5369 48.3152 0.0000 174.7441 45 N 4.9643 8.0030 116.3298 52.9634 39.1189 174.4908 46 V 4.4662 7.4855 109.8209 59.4406 35.3297 175.1381 47 N 4.6801 8.5149 119.1482 52.1195 38.4786 175.2030 48 L 4.1806 8.4446 124.3130 54.1802 42.4455 176.8717 49 I 4.2414 8.0624 124.7660 59.1001 37.3333 175.2614 50 R 3.9993 8.5264 126.6107 56.1155 30.4445 175.7589 51 I 4.5934 8.2062 118.6248 59.1361 39.9846 175.6003 52 S 4.1891 8.2969 115.7568 58.7406 62.9820 173.6851 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 K 8.31 4.30 0.00 1.74 1.87 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 14 L 8.22 4.09 0.00 1.70 1.59 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.40 0.00 2.04 1.99 0.00 3.61 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 2.03 2.08 0.00 16 N 8.68 5.05 0.00 2.78 2.84 0.00 0.00 5.84 7.71 0.00 0.00 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 T 7.63 4.73 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 18 V 8.18 4.45 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 0.86 0.00 0.00 0.93 0.00 0.00 19 S 8.52 4.65 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.53 0.00 1.62 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.95 4.52 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 0.69 0.00 0.00 0.91 0.00 0.00 22 A 7.82 4.52 1.20 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 0.00 0.00 0.00 23 G 8.04 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 0.00 0.00 0.00 0.00 24 S 8.42 4.60 0.00 3.95 3.79 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 S 7.87 4.50 0.00 3.80 3.69 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 26 E 8.64 4.36 0.00 2.00 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 2.28 2.24 0.00 27 G 7.76 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 4.15 0.00 1.98 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 2.32 2.30 0.00 29 T 7.43 4.77 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 30 P 0.00 4.24 0.00 2.17 2.14 0.00 3.60 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 2.11 2.15 0.00 31 L 7.90 4.14 0.00 1.75 1.69 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.33 4.39 0.00 3.05 2.87 0.00 0.00 6.86 7.14 0.00 0.00 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 A 8.30 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.10 0.00 3.15 3.30 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 35 D 8.60 4.33 0.00 3.01 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 36 G 8.52 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.93 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 38 L 7.73 3.73 0.00 1.65 1.57 -0.10 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.68 3.92 0.00 1.74 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.13 4.37 0.00 2.76 2.97 0.00 0.00 7.27 7.64 0.00 0.00 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 A 7.07 4.68 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 42 G 8.14 4.07 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 0.00 0.00 0.00 43 I 7.21 4.64 1.84 0.00 0.00 0.82 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 0.70 0.89 0.00 0.00 44 G 8.30 3.72 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 0.00 0.00 0.00 45 N 8.00 4.96 0.00 2.69 2.80 0.00 0.00 6.72 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.49 4.47 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 0.74 0.00 0.00 0.97 0.00 0.00 47 N 8.51 4.68 0.00 2.72 2.79 0.00 0.00 6.98 7.85 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 48 L 8.44 4.18 0.00 1.71 1.65 0.95 0.88 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 49 I 8.06 4.24 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.92 0.00 0.00 50 R 8.53 4.00 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 8.21 4.59 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.92 0.00 0.00 52 S 8.30 4.19 0.00 3.93 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