NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2762 8.0176 110.9009 61.3540 70.6209 175.0499 3 C 4.0339 8.1086 120.3430 58.8711 38.1176 174.2095 4 A 3.8082 7.9161 123.4051 54.8059 19.0257 180.5596 5 S 4.2014 7.8820 109.5994 60.6818 63.3239 175.3025 6 R 4.4772 7.9310 118.9706 55.6733 30.4313 175.2551 7 C 4.5140 7.7927 116.6864 57.0356 40.5043 172.1420 8 P 4.4815 0.0000 0.0000 63.4426 31.6747 176.9677 9 R 4.7552 7.5875 117.4367 54.6917 31.0387 172.7821 10 P 4.4795 0.0000 0.0000 63.4373 32.3016 176.6526 11 C 5.1113 8.2141 114.5361 54.2902 38.8169 173.4173 12 N 4.5181 8.4161 117.6578 53.0367 38.7268 174.8317 13 A 4.3606 8.2148 123.4695 53.8217 18.9129 178.4124 14 G 3.9670 9.1094 111.2371 44.8757 0.0000 173.3765 15 L 4.8850 7.5262 119.0585 53.3758 44.7852 174.8074 16 C 5.3517 9.0618 117.4841 55.3778 42.7756 172.4412 17 C 5.1963 8.8282 122.3819 55.6626 44.4991 173.5456 18 S 5.1258 9.2380 122.1895 57.3590 64.2190 175.4404 19 I 3.6668 8.3379 114.3130 63.2597 37.1969 176.4491 20 Y 4.5868 7.3064 117.2884 57.9775 38.3020 176.1964 21 G 3.9910 8.4885 109.2748 44.9536 0.0000 172.5389 22 Y 5.0793 7.9750 116.5858 56.1340 41.5326 175.4657 23 C 5.0880 8.8992 119.6536 56.7724 40.3593 173.0355 24 G 2.7342 8.0216 108.6067 45.7181 0.0000 171.9855 25 S 4.9514 8.3086 114.5325 57.3965 65.9739 174.7446 26 G 3.9302 8.7073 107.6597 44.5645 0.0000 174.2212 27 A 3.9811 8.4832 119.9695 54.9395 18.4232 179.7764 28 A 4.0573 8.2199 117.8554 54.7959 18.5986 177.6932 29 Y 4.4294 8.1633 111.3112 58.6472 39.7651 177.1847 30 C 4.7066 8.3410 115.1660 56.9887 42.3614 174.3357 31 G 3.7942 8.0632 109.1770 44.6288 0.0000 173.4529 32 A 3.8360 8.2931 121.2182 55.8448 18.4210 179.0327 33 G 3.8597 7.8150 102.9976 46.1348 0.0000 173.5880 34 N 4.6616 8.2943 116.7966 53.1258 40.9483 173.4787 35 C 5.0536 7.9418 117.8061 55.2293 44.8019 172.7358 36 R 4.0745 8.8807 129.1232 58.1595 30.2841 173.6057 37 C 4.7083 7.7424 109.3326 54.7715 39.0675 172.4649 38 Q 3.5620 8.5000 117.0648 57.5857 26.6026 174.8483 39 C 4.7043 8.2692 111.8542 57.8267 40.8472 174.7077 40 R 4.4988 7.7420 118.3063 55.5500 30.7297 175.9357 41 G 4.3252 8.0295 113.2965 46.1864 0.0000 174.2483 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 T 8.02 4.28 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 3 C 8.11 4.03 0.00 3.11 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.92 3.81 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 5 S 7.88 4.20 0.00 4.01 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 6 R 7.93 4.48 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 7 C 7.79 4.51 0.00 3.03 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 8 P 0.00 4.48 0.00 2.17 2.15 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 9 R 7.59 4.76 0.00 1.78 1.84 0.00 3.15 0.00 0.00 3.22 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 10 P 0.00 4.48 0.00 2.04 2.22 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 11 C 8.21 5.11 0.00 2.89 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 12 N 8.42 4.52 0.00 2.73 2.73 0.00 0.00 6.68 8.09 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 13 A 8.21 4.36 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 14 G 9.11 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 0.00 0.00 0.00 15 L 7.53 4.88 0.00 1.71 1.58 0.85 0.59 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 16 C 9.06 5.35 0.00 2.91 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 17 C 8.83 5.20 0.00 3.04 3.17 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 0.00 18 S 9.24 5.13 0.00 3.93 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 3.67 1.58 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.80 0.00 0.00 20 Y 7.31 4.59 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 21 G 8.49 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.97 5.08 0.00 3.24 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 23 C 8.90 5.09 0.00 2.86 2.96 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 24 G 8.02 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.95 0.00 3.85 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 26 G 8.71 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 3.98 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 28 A 8.22 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.16 4.43 0.00 3.01 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 30 C 8.34 4.71 0.00 3.06 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 31 G 8.06 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 32 A 8.29 3.84 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 33 G 7.82 3.86 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 0.00 0.00 0.00 34 N 8.29 4.66 0.00 2.70 2.78 0.00 0.00 6.47 6.96 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 35 C 7.94 5.05 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 36 R 8.88 4.07 0.00 1.70 2.07 0.00 3.35 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 37 C 7.74 4.71 0.00 3.09 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 38 Q 8.50 3.56 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.16 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 39 C 8.27 4.70 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 40 R 7.74 4.50 0.00 1.76 1.89 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 G 8.03 4.33 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 0.00