NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3431 8.3044 120.3465 55.2612 33.4866 174.4368 2 L 4.3322 8.1486 126.9668 52.6011 45.2543 172.8102 3 L 5.1068 9.2586 129.2695 53.1987 45.4709 174.8222 4 L 4.8474 9.2456 125.5205 52.8641 45.2300 175.4346 5 R 4.9215 8.4494 121.7201 54.7125 32.7177 173.9086 6 I 4.4851 8.7317 127.3710 59.7654 40.2840 174.2525 7 T 5.3167 8.6272 125.3125 62.0982 70.8156 173.0829 8 M 4.7855 8.9995 123.1808 52.9175 35.3701 174.6727 9 L 4.5401 8.0540 119.5117 54.7501 42.3142 177.1956 10 E 3.9663 8.7059 122.8722 57.4315 30.1435 177.3113 11 G 4.0719 8.9157 108.9354 45.5934 0.0000 174.0358 12 R 4.4753 7.5345 118.1409 54.3825 31.9808 176.9221 13 S 4.3862 9.0309 116.3409 58.3076 65.1435 175.7261 14 T 3.8463 8.3429 119.0692 66.8507 68.1679 176.5858 15 E 3.9293 8.1152 119.7677 59.5771 29.5921 179.0747 16 Q 3.9866 8.4615 118.2505 59.1377 28.8529 179.4473 17 K 3.9421 8.0979 118.9250 59.5310 32.1147 179.3744 18 A 4.0527 7.9860 120.7923 54.9534 18.2368 179.6091 19 E 3.9181 8.4207 117.4614 59.5368 29.4695 179.3374 20 L 3.9961 8.0698 118.8220 57.8986 41.7050 179.5878 21 A 3.9739 7.9759 120.5643 54.9737 18.3482 179.7678 22 R 3.7894 8.0846 117.0791 59.5704 30.1829 178.6750 23 A 4.0369 8.4774 121.0454 55.0892 18.4201 179.6611 24 L 4.0247 8.2384 117.8006 57.9505 41.6316 179.9056 25 S 4.1403 8.1416 115.0286 61.4011 62.7278 176.6187 26 A 3.9736 8.0580 123.2606 55.1526 18.1863 179.5412 27 A 3.9890 8.4981 119.5270 55.1290 18.3732 179.6869 28 A 4.2519 8.2354 119.0882 54.8437 18.7562 179.2908 29 A 4.0501 8.2047 119.3308 55.5553 18.3119 179.8261 30 A 3.9172 8.0633 118.5210 55.2783 18.3194 179.6363 31 A 3.9640 7.8420 117.8358 55.1675 18.6273 179.1461 32 F 4.2911 8.3590 112.6205 56.5810 40.6581 175.1323 33 D 4.4030 7.7575 116.2828 54.9810 37.8615 173.9632 34 V 4.4684 8.1168 117.2759 59.8690 35.3717 173.0490 35 P 4.2954 0.0000 0.0000 62.9196 31.7400 176.4918 36 L 3.8448 8.9421 123.1742 58.4210 41.8831 178.9025 37 A 4.0458 7.9875 118.8427 54.2332 18.3714 177.4384 38 E 4.2090 8.0406 115.4587 57.0933 30.2330 176.1561 39 V 4.1528 7.8137 119.6314 62.5951 32.1768 175.5757 40 R 4.7722 8.4229 126.4525 54.6868 32.9792 175.0067 41 L 5.1395 8.2217 122.3838 53.7730 45.5182 174.9820 42 I 4.6313 8.8147 126.1242 59.5604 40.5068 174.2890 43 I 4.8705 8.4463 127.0331 59.6824 39.4650 174.9908 44 Q 4.6762 9.0024 124.8520 54.2032 32.0004 174.5201 45 E 5.3047 8.9065 122.4807 54.7667 32.7616 175.4558 46 V 4.6799 8.5386 120.6970 60.4202 35.4292 173.1557 47 P 4.7742 0.0000 0.0000 62.0955 32.0298 175.3887 48 P 4.4071 0.0000 0.0000 65.8487 31.4124 178.3402 49 T 4.1263 7.8390 110.7422 63.7798 67.6081 174.5287 50 H 4.8658 8.5018 117.3872 55.0413 29.1095 174.0700 51 W 4.6258 8.1388 130.2134 55.7247 32.3563 174.0856 52 T 5.2418 8.0935 115.5948 59.6841 71.2979 173.8578 53 V 4.2849 8.4285 122.1817 61.2040 33.8164 175.9543 54 G 3.7013 9.4154 112.8657 46.3337 0.0000 174.7977 55 G 3.9968 8.4808 107.9355 44.9332 0.0000 174.2529 56 I 4.5336 7.2763 113.4743 58.5109 39.9652 175.6303 57 S 4.8200 8.3315 116.9472 58.2789 64.1061 174.9574 58 M 4.0042 8.8838 121.8082 58.6032 31.8362 178.7443 59 A 4.0944 7.5706 120.4441 54.7096 18.5929 178.1315 60 E 4.1682 8.0561 114.3982 57.5980 29.9878 176.4905 61 L 4.0518 7.6520 119.0086 56.3684 40.1673 177.3167 62 R 4.1462 8.2818 119.5029 56.6672 28.7533 174.6489 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 M 8.30 4.34 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 2 L 8.15 4.33 0.00 1.72 1.37 0.28 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.26 5.11 0.00 1.59 1.41 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.25 4.85 0.00 1.53 1.48 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.45 4.92 0.00 1.76 1.77 0.00 3.23 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 6 I 8.73 4.49 1.89 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 1.26 1.54 0.92 0.00 0.00 7 T 8.63 5.32 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 1.40 0.00 0.00 8 M 9.00 4.79 0.00 1.98 1.99 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 2.44 2.50 0.00 9 L 8.05 4.54 0.00 1.31 1.51 0.56 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.71 3.97 0.00 1.83 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 2.34 2.28 0.00 11 G 8.92 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 12 R 7.53 4.48 0.00 1.78 1.96 0.00 3.33 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 13 S 9.03 4.39 0.00 3.99 3.98 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 14 T 8.34 3.85 4.23 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 1.21 0.00 0.00 15 E 8.12 3.93 0.00 2.00 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 2.40 2.40 0.00 16 Q 8.46 3.99 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 8.10 3.94 0.00 1.97 1.85 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 18 A 7.99 4.05 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 19 E 8.42 3.92 0.00 2.13 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 2.49 0.00 20 L 8.07 4.00 0.00 1.86 1.72 0.90 0.64 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 21 A 7.98 3.97 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 22 R 8.08 3.79 0.00 2.03 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 23 A 8.48 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.02 0.00 1.84 1.74 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.14 4.14 0.00 3.94 3.91 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 0.00 0.00 0.00 26 A 8.06 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 4.05 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 30 A 8.06 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.29 0.00 3.11 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 33 D 7.76 4.40 0.00 2.90 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 34 V 8.12 4.47 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 0.82 0.00 0.00 1.02 0.00 0.00 35 P 0.00 4.30 0.00 2.26 2.19 0.00 3.79 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 2.29 1.98 0.00 36 L 8.94 3.84 0.00 1.75 1.74 0.93 0.99 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 37 A 7.99 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.21 0.00 2.02 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 2.27 2.27 0.00 39 V 7.81 4.15 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 0.76 0.00 0.00 0.95 0.00 0.00 40 R 8.42 4.77 0.00 1.78 1.78 0.00 3.18 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 41 L 8.22 5.14 0.00 1.58 1.46 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.81 4.63 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 1.23 0.59 0.92 0.00 0.00 43 I 8.45 4.87 1.88 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 0.57 0.92 0.00 0.00 44 Q 9.00 4.68 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 45 E 8.91 5.30 0.00 1.84 1.85 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 0.00 2.21 2.27 0.00 46 V 8.54 4.68 2.30 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 1.33 0.00 0.00 1.06 0.00 0.00 47 P 0.00 4.77 0.00 2.04 2.11 0.00 3.78 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 1.68 1.89 0.00 48 P 0.00 4.41 0.00 2.14 2.17 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 49 T 7.84 4.13 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 1.17 0.00 0.00 50 H 8.50 4.87 0.00 3.28 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.14 4.63 0.00 3.50 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 52 T 8.09 5.24 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 1.22 0.00 0.00 53 V 8.43 4.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 54 G 9.42 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 0.00 0.00 0.00 55 G 8.48 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 56 I 7.28 4.53 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 0.92 0.00 0.00 57 S 8.33 4.82 0.00 4.24 4.08 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 58 M 8.88 4.00 0.00 2.10 2.44 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 3.06 0.00 59 A 7.57 4.09 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 60 E 8.06 4.17 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 61 L 7.65 4.05 0.00 1.77 1.73 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.28 4.15 0.00 1.89 2.02 0.00 3.39 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00