NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5169 8.1749 111.0789 61.7086 70.7291 172.2491 4 I 4.7269 8.4406 120.9196 57.6181 41.3964 173.5023 5 K 4.8645 9.3708 126.7540 55.8336 34.7728 174.9648 6 I 4.5380 8.6784 126.9239 59.8646 39.4055 174.8888 7 T 5.3655 8.0619 121.8925 60.4510 72.0941 173.0267 8 Q 4.3145 8.8408 128.4763 56.6302 29.5455 175.7817 9 T 4.2825 8.6177 116.7591 63.4500 70.5395 175.6425 10 R 4.2961 8.1377 119.6351 55.4327 31.2951 176.6072 11 S 4.4794 8.3697 115.6869 57.0251 62.6957 173.7362 12 A 4.1999 8.2981 123.6025 53.7035 18.5938 177.3786 13 I 4.1158 7.5583 110.1782 61.6449 38.5369 174.3573 14 G 4.1770 9.0789 112.7838 45.4814 0.0000 174.2498 15 R 4.0098 6.8123 112.3394 56.0858 29.5516 176.4575 16 L 4.2599 8.2176 119.5975 53.3884 42.5425 175.0033 17 P 4.5252 0.0000 0.0000 63.5700 32.1646 176.1580 18 K 4.2933 8.8530 121.4869 58.2566 30.3475 178.6412 19 H 4.2909 7.6510 116.0885 57.9020 28.5688 177.8176 20 K 3.9364 7.6886 121.2648 59.4926 31.9011 178.8507 21 A 4.0604 7.8615 119.2095 55.3325 18.6237 179.1735 22 T 3.9214 8.1311 114.8055 67.0022 68.6155 176.5216 23 L 4.1164 7.8581 120.5580 58.0926 41.5406 179.8056 24 L 4.3758 7.2933 119.8427 57.1920 41.2767 179.7824 25 G 3.6095 8.1525 105.3648 47.6835 0.0000 175.6044 26 L 4.2344 7.7391 119.8666 55.9028 41.7270 177.9108 27 G 4.1528 7.4108 106.5045 45.1055 0.0000 172.9442 28 L 4.7626 8.2686 120.5380 53.0968 43.0592 177.1488 29 R 4.8106 8.5547 119.2194 55.5944 32.3038 175.0248 30 R 4.6456 7.3796 116.4742 53.9640 34.2314 174.4620 31 I 3.7169 8.0031 114.3599 62.4106 38.1559 174.8194 32 G 4.1439 8.7202 110.7123 45.9206 0.0000 174.0863 33 H 4.4482 7.6633 115.1274 56.6067 29.8807 175.0345 34 T 5.8743 8.6483 116.8463 60.9233 72.2145 173.5127 35 V 4.5721 8.3017 122.9595 60.0391 35.7356 174.0808 36 E 4.9996 8.8120 120.8882 55.0292 31.2347 175.4977 37 R 4.6824 8.4754 124.4395 53.9537 32.7751 176.2361 38 E 4.3315 8.8131 122.9970 56.4505 30.6755 177.3978 39 D 4.6023 8.6261 121.9010 53.9230 39.8019 175.8864 40 T 4.6365 7.8996 119.9958 60.5073 72.2350 172.7165 41 P 4.2958 0.0000 0.0000 65.6691 31.5754 178.0418 42 A 4.3200 7.8409 118.4609 54.6148 19.0834 179.3781 43 I 3.6855 7.6108 117.7204 64.4851 37.2332 178.6548 44 R 4.0843 8.6140 119.4193 58.6647 29.8865 179.3109 45 G 3.5961 8.1571 106.2461 47.9063 0.0000 175.7616 46 M 4.1057 7.9723 120.7673 58.2711 31.9604 178.6039 47 I 3.7288 7.4722 119.8632 64.5885 37.0464 178.0013 48 N 4.8141 8.2372 117.7459 56.1282 38.8620 176.4787 49 A 4.3156 7.8332 120.6229 53.7599 18.7017 178.4090 50 V 4.4462 7.3596 109.6565 61.3210 32.5375 178.0191 51 S 4.1652 8.0426 119.8021 61.4545 62.8512 176.8528 52 F 4.1701 8.5916 118.2375 60.2700 39.3343 176.6825 53 M 4.2418 8.1756 119.8883 57.2433 32.1763 175.8853 54 V 4.9115 7.8119 109.8300 59.1857 35.9446 175.2859 55 K 4.4551 8.6929 122.1339 55.1643 34.0669 175.3525 56 V 4.9150 7.9547 120.3034 59.3783 34.3760 175.1727 57 E 4.8203 7.9843 119.1820 55.6740 32.8721 175.7651 58 E 4.2796 8.8960 123.3355 56.4438 29.8443 175.6422 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 3 T 8.17 4.52 4.36 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 1.21 0.00 0.00 4 I 8.44 4.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 0.95 0.00 0.00 5 K 9.37 4.86 0.00 1.84 1.95 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.41 7.81 6 I 8.68 4.54 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 1.24 0.65 0.93 0.00 0.00 7 T 8.06 5.37 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 1.27 0.00 0.00 8 Q 8.84 4.31 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 9 T 8.62 4.28 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 10 R 8.14 4.30 0.00 1.75 1.92 0.00 3.34 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 11 S 8.37 4.48 0.00 3.82 3.78 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 12 A 8.30 4.20 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 13 I 7.56 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.91 0.00 0.00 14 G 9.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.81 4.01 0.00 1.90 1.97 0.00 3.07 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 16 L 8.22 4.26 0.00 1.79 1.64 0.90 0.91 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 17 P 0.00 4.53 0.00 2.15 2.08 0.00 3.86 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 1.96 1.98 0.00 18 K 8.85 4.29 0.00 1.85 1.91 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 19 H 7.65 4.29 0.00 3.34 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.69 3.94 0.00 1.64 1.80 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 21 A 7.86 4.06 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 22 T 8.13 3.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 L 7.86 4.12 0.00 1.79 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.29 4.38 0.00 1.94 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.15 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.23 0.00 1.83 1.76 0.93 1.02 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 27 G 7.41 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 28 L 8.27 4.76 0.00 1.90 1.61 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.55 4.81 0.00 1.76 1.89 0.00 3.20 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 30 R 7.38 4.65 0.00 1.35 1.60 0.00 3.11 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 31 I 8.00 3.72 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.93 0.00 0.00 32 G 8.72 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 33 H 7.66 4.45 0.00 3.22 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.65 5.87 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 1.25 0.00 0.00 35 V 8.30 4.57 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 0.86 0.00 0.00 0.96 0.00 0.00 36 E 8.81 5.00 0.00 1.84 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 2.21 2.30 0.00 37 R 8.48 4.68 0.00 1.72 1.81 0.00 3.30 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 38 E 8.81 4.33 0.00 1.85 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 2.32 2.35 0.00 39 D 8.63 4.60 0.00 2.67 2.65 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 40 T 7.90 4.64 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 41 P 0.00 4.30 0.00 2.01 2.16 0.00 3.67 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 2.04 2.19 0.00 42 A 7.84 4.32 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 43 I 7.61 3.69 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.66 0.92 0.00 0.00 44 R 8.61 4.08 0.00 1.82 1.99 0.00 3.13 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 45 G 8.16 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.97 4.11 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 47 I 7.47 3.73 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.94 0.92 0.00 0.00 48 N 8.24 4.81 0.00 2.87 3.07 0.00 0.00 7.13 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 49 A 7.83 4.32 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 50 V 7.36 4.45 2.13 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 0.79 0.00 0.00 1.05 0.00 0.00 51 S 8.04 4.17 0.00 3.81 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 52 F 8.59 4.17 0.00 2.91 3.13 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 53 M 8.18 4.24 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 54 V 7.81 4.91 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.04 0.00 0.00 55 K 8.69 4.46 0.00 1.80 1.64 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 56 V 7.95 4.92 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 1.06 0.00 0.00 0.92 0.00 0.00 57 E 7.98 4.82 0.00 1.97 1.71 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 0.00 2.16 2.18 0.00 58 E 8.90 4.28 0.00 2.19 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 2.16 2.20 0.00