NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9423 8.3549 109.7376 44.7308 0.0000 174.2047 3 K 3.8064 8.6965 124.2400 55.7807 32.7375 170.6629 4 V 4.5490 8.7002 121.8136 61.4001 35.5814 173.5208 5 Y 4.9474 8.8587 123.9901 56.0421 41.0083 174.6988 6 K 4.5150 8.1108 122.4613 54.4634 35.3425 174.7683 7 K 5.0805 8.5430 124.9312 54.7062 34.6063 175.8177 8 V 4.5522 8.8661 117.6823 59.4838 35.3863 174.3133 9 E 4.9897 8.7876 124.8535 55.1133 30.4360 174.9675 10 L 4.8638 9.0628 127.2520 52.8612 45.7125 176.0951 11 V 4.6888 8.3259 121.0658 61.1333 33.2065 175.1270 12 G 4.4763 9.0211 116.5045 45.4158 0.0000 171.4801 13 T 5.8031 8.0368 112.2576 59.0524 72.2968 172.9552 14 S 4.6573 8.2701 114.3815 57.9707 65.4363 175.3615 15 E 4.6321 9.0118 123.7069 56.7194 30.0389 177.3299 16 E 4.2856 8.4261 118.8247 57.0066 30.4469 176.2268 17 G 3.3533 7.2020 104.7743 44.3001 0.0000 173.3504 18 L 3.6794 7.2417 118.1034 57.8772 41.5030 179.4820 19 E 3.8977 8.0100 117.7161 59.3839 29.4412 179.1086 20 A 3.9524 7.9252 120.0164 55.0771 18.5141 179.4099 21 A 3.9349 7.9371 119.2038 55.3273 18.4888 179.9314 22 I 3.5161 7.7340 118.2951 64.6770 37.1596 178.7795 23 Q 3.9094 8.4286 119.0089 58.6508 28.5563 178.6890 24 A 3.9558 8.0434 121.8078 54.9944 18.4250 179.5487 25 A 3.8984 7.8073 118.7688 55.3744 18.5468 179.7712 26 L 3.8863 7.8189 117.2911 57.7004 41.4154 179.5510 27 A 3.9517 8.1950 120.5069 55.0296 18.7052 179.4177 28 R 3.9090 7.9377 116.7411 59.4179 30.1834 178.3933 29 A 3.9020 7.9913 120.6365 55.3758 18.1360 179.6188 30 R 3.8095 7.8765 115.6542 59.2678 30.1222 178.5427 31 K 4.1769 7.6818 117.3069 58.4783 32.1237 177.6041 32 T 4.5508 7.6825 105.2560 60.2770 70.3057 173.5225 33 L 4.5254 7.8069 121.9332 52.7907 44.0385 175.8740 34 R 4.5508 8.0206 120.2594 55.4302 33.0674 174.8100 35 H 4.1671 8.5452 113.2059 56.6724 26.2546 175.0321 36 L 4.4354 8.1803 118.9669 55.6108 41.9829 175.6856 37 D 5.1596 9.1642 122.5655 55.4189 43.1140 176.2520 38 F 5.2600 7.5268 111.2744 55.4409 41.6963 172.6747 39 F 5.6234 8.4290 113.2421 55.4994 41.5626 173.8451 40 E 4.6585 9.3945 118.7886 54.7567 33.4861 174.9279 41 V 4.2729 8.7233 125.5434 62.9664 31.5766 175.6011 42 K 4.4087 9.1444 128.2291 58.3811 33.3842 176.8936 43 E 4.7543 7.7764 117.3486 55.2167 33.0708 174.1953 44 I 4.9162 8.5149 126.6624 59.8771 39.6590 174.8061 45 R 4.7065 9.4631 125.8263 54.7110 35.1518 173.8222 46 G 4.0871 7.7428 105.9102 47.2211 0.0000 171.9683 47 T 4.8075 7.7830 109.4517 59.8974 71.8568 173.3828 48 I 4.6908 8.2656 122.9416 59.8370 39.6926 175.4171 49 G 4.2966 9.1578 116.3374 43.8283 0.0000 172.2753 50 E 3.8478 9.0329 118.5032 58.6730 29.5753 178.4261 51 A 4.7133 8.0718 119.1982 51.8265 20.5899 176.1287 52 G 3.9976 7.5249 107.1570 45.1454 0.0000 176.7081 53 V 3.7740 8.1804 125.1223 62.9688 31.5800 174.9514 54 K 4.2066 8.9209 129.3587 58.2837 33.3663 175.6564 55 E 4.9129 7.7123 119.5278 54.4687 33.0987 173.6839 56 Y 4.6558 9.2150 125.0815 57.7616 39.8509 174.7054 57 Q 4.7812 9.4468 122.1268 54.3788 32.6778 174.4664 58 V 4.6700 8.9120 126.0527 60.9863 33.7345 174.7948 59 V 4.4198 8.8009 129.8986 62.4879 32.5686 174.7296 60 L 5.3793 9.3614 127.9263 53.0385 45.5453 175.2939 61 E 5.0462 9.3873 122.7222 55.0911 31.7717 175.2114 62 V 4.6529 9.0578 124.2258 61.0705 34.5226 174.1840 63 G 3.7880 8.4236 115.9752 44.1790 0.0000 172.2388 64 F 5.5898 8.6482 118.6184 54.8051 41.8089 173.7607 65 R 3.8709 8.7283 122.1614 55.9054 30.5803 175.9659 66 L 4.3220 8.2072 127.1876 54.4807 42.2707 177.1910 67 E 4.0819 8.8197 122.9957 56.6104 30.7019 175.5652 68 E 3.4253 8.4262 122.5225 57.7576 26.9685 174.8628 *69 T 4.1630 7.6771 113.7822 60.7662 69.2274 175.0790 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 G 8.35 3.94 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 0.00 0.00 0.00 3 K 8.70 3.81 0.00 1.89 1.49 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 4 V 8.70 4.55 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 1.08 0.00 0.00 0.92 0.00 0.00 5 Y 8.86 4.95 0.00 2.84 2.90 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 6 K 8.11 4.51 0.00 1.50 0.74 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.27 7.81 7 K 8.54 5.08 0.00 1.66 1.71 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.46 7.81 8 V 8.87 4.55 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 0.89 0.00 0.00 1.09 0.00 0.00 9 E 8.79 4.99 0.00 2.00 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 0.00 2.25 2.36 0.00 10 L 9.06 4.86 0.00 1.57 1.50 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.69 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 0.94 0.00 0.00 12 G 9.02 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 5.80 4.43 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 1.26 0.00 0.00 14 S 8.27 4.66 0.00 3.89 3.77 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 15 E 9.01 4.63 0.00 2.03 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 0.00 2.41 2.30 0.00 16 E 8.43 4.29 0.00 1.96 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 0.00 2.32 2.40 0.00 17 G 7.20 3.35 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 0.00 18 L 7.24 3.68 0.00 1.52 1.61 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.90 0.00 1.99 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 2.38 2.42 0.00 20 A 7.93 3.95 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 21 A 7.94 3.93 1.45 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 0.00 0.00 0.00 22 I 7.73 3.52 1.85 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 1.40 0.76 0.35 0.00 0.00 23 Q 8.43 3.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 24 A 8.04 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 3.90 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 26 L 7.82 3.89 0.00 1.74 1.65 0.66 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.19 3.95 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 28 R 7.94 3.91 0.00 1.94 2.07 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 7.99 3.90 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 30 R 7.88 3.81 0.00 1.88 2.15 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.68 4.18 0.00 1.93 1.82 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 32 T 7.68 4.55 4.17 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 0.00 0.00 1.17 0.00 0.00 33 L 7.81 4.53 0.00 1.42 0.96 0.39 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.02 4.55 0.00 1.72 1.65 0.00 3.31 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 35 H 8.55 4.17 0.00 3.61 3.44 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 4.44 0.00 1.66 1.67 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.16 5.16 0.00 2.89 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 38 F 7.53 5.26 0.00 2.94 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 39 F 8.43 5.62 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 40 E 9.39 4.66 0.00 1.98 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 0.00 2.27 2.45 0.00 41 V 8.72 4.27 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 0.86 0.00 0.00 1.12 0.00 0.00 42 K 9.14 4.41 0.00 1.67 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.56 7.81 43 E 7.78 4.75 0.00 2.02 1.75 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 2.27 2.32 0.00 44 I 8.51 4.92 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 1.01 0.00 0.00 45 R 9.46 4.71 0.00 1.69 1.81 0.00 3.58 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 46 G 7.74 4.09 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 0.00 0.00 0.00 47 T 7.78 4.81 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 1.18 0.00 0.00 48 I 8.27 4.69 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.92 0.00 0.00 49 G 9.16 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 0.00 0.00 0.00 0.00 50 E 9.03 3.85 0.00 1.93 1.99 0.00 0.00 0.00 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 2.32 0.00 51 A 8.07 4.71 1.25 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 52 G 7.52 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 53 V 8.18 3.77 1.76 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 -0.24 0.00 0.00 0.68 0.00 0.00 54 K 8.92 4.21 0.00 1.89 1.70 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.35 7.81 55 E 7.71 4.91 0.00 2.02 1.67 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 2.20 2.28 0.00 56 Y 9.21 4.66 0.00 3.07 2.84 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 57 Q 9.45 4.78 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 V 8.91 4.67 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 0.96 0.00 0.00 0.96 0.00 0.00 59 V 8.80 4.42 2.11 0.00 0.00 0.00 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 0.95 0.00 0.00 60 L 9.36 5.38 0.00 1.56 1.55 0.72 0.83 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 61 E 9.39 5.05 0.00 1.96 1.92 0.00 0.00 0.00 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 2.29 0.00 62 V 9.06 4.65 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 1.07 0.00 0.00 0.95 0.00 0.00 63 G 8.42 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 0.00 0.00 0.00 64 F 8.65 5.59 0.00 3.29 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 65 R 8.73 3.87 0.00 1.87 1.77 0.00 3.03 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.00 66 L 8.21 4.32 0.00 1.53 1.54 0.85 1.16 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 67 E 8.82 4.08 0.00 1.99 1.91 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 0.00 2.38 2.40 0.00 68 E 8.43 3.43 0.00 2.09 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 2.18 2.23 0.00 *69 T 7.68 4.16 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 * Residues marked with a * may have inaccurate shift predictions.