NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 K 4.3511 8.1733 122.1401 55.3930 35.0395 175.8873 0 L 3.4079 8.2837 122.5119 55.1709 40.6501 178.0807 1 C 4.5250 9.2719 132.8336 60.2960 40.9329 174.6877 2 S 4.1084 8.0497 114.3638 58.8764 63.0469 173.7881 3 L 4.2882 7.7479 123.6050 53.6935 41.8591 175.6792 4 D 4.3390 9.4662 129.1290 55.3780 39.8558 173.4874 5 N 4.0278 8.1657 110.3157 53.7051 37.5731 174.5209 6 G 3.6519 8.9026 101.8821 45.4372 0.0000 174.6548 7 D 4.5486 8.1637 116.4595 54.3705 40.4838 173.5307 8 C 4.5978 7.8626 114.5688 57.1501 40.9832 173.6917 9 D 4.5300 8.4364 122.4350 56.9153 42.2294 177.6631 10 Q 4.3469 7.5583 111.7486 55.7824 30.9543 179.4706 11 F 4.7138 6.4367 127.1409 58.5389 40.2515 172.8784 12 C 5.5675 8.8662 121.9395 55.1861 44.8618 172.4776 13 H 5.0207 9.1875 124.2517 54.6898 33.4918 171.4717 14 E 4.9193 8.5074 124.4809 54.9420 30.3360 175.4562 15 E 4.3835 9.0861 124.6086 55.1274 31.5467 174.7362 16 Q 3.5002 9.1813 124.1970 57.4898 25.5358 173.2131 17 N 4.1979 8.0350 112.8653 53.6303 38.1970 173.5932 18 S 4.5430 7.3583 109.2980 56.4207 65.9443 172.9220 19 V 4.2365 8.3529 127.9946 62.7730 32.3904 175.0572 20 V 4.4172 9.2827 127.8875 61.4262 33.8575 173.7394 21 C 5.4450 8.8884 125.5064 56.3664 36.4641 172.7936 22 S 4.7055 8.7659 115.3038 57.8025 66.7190 171.6920 23 C 4.7883 8.4818 115.2042 54.7336 38.6028 174.2470 24 A 4.5098 8.7902 124.5712 51.7270 18.8015 177.4548 25 R 4.1916 8.3632 118.8146 57.8915 30.7098 177.8693 26 G 3.9584 9.3009 110.0240 44.9906 0.0000 172.1544 27 Y 5.3574 7.5377 116.2850 56.2053 41.1515 175.2237 28 T 4.7627 8.7715 112.3894 59.4343 72.1665 173.0699 29 L 4.5535 8.5264 125.7578 55.1310 42.8907 176.5155 30 A 4.2481 9.3831 128.3386 51.3716 19.4680 177.7029 31 D 4.2638 8.9572 118.8985 57.7616 41.0562 177.4895 32 N 4.5485 8.2421 112.3504 52.4462 37.2144 174.7616 33 G 4.0966 8.2789 105.7267 46.6411 0.0000 173.8837 34 K 4.4823 8.8292 117.8994 57.6132 35.0203 176.7699 35 A 4.5754 8.2283 120.9377 51.9747 19.9953 176.6233 36 C 5.1646 8.7625 117.9257 55.3273 41.9240 173.5112 37 I 4.6622 8.8518 125.4585 58.7649 39.1518 173.5644 38 P 4.1272 0.0000 0.0000 62.8370 31.1589 176.6665 39 T 4.0937 8.4910 115.3181 63.7276 69.8197 174.4700 40 G 4.1481 7.5119 108.4958 42.6560 0.0000 169.6597 41 P 4.1466 0.0000 0.0000 63.2007 32.4904 175.3897 42 Y 3.5669 7.6063 114.8958 58.6387 35.2333 168.7724 43 P 4.4350 0.0000 0.0000 61.7653 33.0285 176.3185 44 C 4.2427 8.3595 114.8132 59.9971 29.7800 174.3825 45 G 3.9966 8.9953 109.2448 45.5046 0.0000 173.0923 46 K 4.6163 7.3219 118.1200 54.1006 33.9677 176.3613 47 Q 4.1808 8.6102 123.3155 56.0116 29.3400 176.1121 48 T 4.3680 8.3617 112.3756 61.2006 70.0724 174.6920 49 L 4.3654 8.3767 123.0038 55.0334 42.3271 176.3284 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 K 8.17 4.35 0.00 1.70 1.76 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 0 L 8.28 3.41 0.00 2.09 0.81 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.27 4.52 0.00 3.15 3.14 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 2 S 8.05 4.11 0.00 4.04 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 3 L 7.75 4.29 0.00 1.73 1.71 0.92 1.18 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 4 D 9.47 4.34 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.17 4.03 0.00 3.01 2.83 0.00 0.00 7.59 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.90 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.16 4.55 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.86 4.60 0.00 3.08 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 9 D 8.44 4.53 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.56 4.35 0.00 1.47 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 11 F 6.44 4.71 0.00 2.97 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 12 C 8.87 5.57 0.00 2.97 2.95 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 0.00 0.00 0.00 13 H 9.19 5.02 0.00 3.22 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.51 4.92 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 15 E 9.09 4.38 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 16 Q 9.18 3.50 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.03 4.20 0.00 2.82 2.85 0.00 0.00 7.02 7.63 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 18 S 7.36 4.54 0.00 4.05 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 19 V 8.35 4.24 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 0.81 0.00 0.00 0.93 0.00 0.00 20 V 9.28 4.42 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 0.96 0.00 0.00 0.96 0.00 0.00 21 C 8.89 5.44 0.00 3.04 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 22 S 8.77 4.71 0.00 3.98 4.02 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 23 C 8.48 4.79 0.00 2.78 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 24 A 8.79 4.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.36 4.19 0.00 1.89 1.93 0.00 3.23 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 26 G 9.30 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 27 Y 7.54 5.36 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 4.76 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 1.23 0.00 0.00 29 L 8.53 4.55 0.00 1.67 1.62 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.38 4.25 1.32 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 31 D 8.96 4.26 0.00 2.62 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 32 N 8.24 4.55 0.00 2.85 2.90 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.28 4.10 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 0.00 0.00 0.00 34 K 8.83 4.48 0.00 1.75 1.91 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.54 7.81 35 A 8.23 4.58 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.76 5.16 0.00 2.59 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 37 I 8.85 4.66 1.90 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 1.25 0.84 0.92 0.00 0.00 38 P 0.00 4.13 0.00 1.78 1.63 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 39 T 8.49 4.09 4.20 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 1.21 0.00 0.00 40 G 7.51 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 41 P 0.00 4.15 0.00 2.05 1.84 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 42 Y 7.61 3.57 0.00 3.18 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 P 0.00 4.44 0.00 1.68 1.79 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 44 C 8.36 4.24 0.00 3.19 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 45 G 9.00 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 46 K 7.32 4.62 0.00 2.01 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.60 7.81 47 Q 8.61 4.18 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.36 4.37 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 49 L 8.38 4.37 0.00 1.61 1.56 0.92 0.86 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