NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3527 8.2493 123.5820 51.9889 21.1257 177.9214 2 K 3.7847 8.0701 112.4701 57.1986 31.7851 175.0548 3 T 4.5420 9.2050 107.7011 60.0981 76.0669 172.4772 4 I 3.5151 7.9513 131.0196 60.3511 37.6385 172.0199 5 K 5.1355 9.1254 124.1316 54.7570 35.1709 175.6142 6 I 4.7092 9.1196 125.3024 60.3063 41.0353 174.2029 7 T 4.8405 7.8361 117.0222 62.8672 72.2449 175.2930 8 Q 3.8112 8.8122 124.8493 57.2413 29.1751 175.5134 9 T 3.4044 7.0330 112.9001 62.6078 67.8401 172.2266 10 R 4.6013 7.5406 122.2507 54.2565 33.3105 176.2990 11 S 4.1357 8.4414 114.0751 58.6472 63.3541 174.5819 12 A 4.6512 8.2337 129.5660 50.9723 17.7289 175.6145 13 I 4.1486 7.4945 123.3088 62.3070 38.7155 178.3032 14 G 4.0699 7.7695 107.3670 45.8130 0.0000 173.9097 15 R 4.3987 7.7807 118.0282 54.6351 31.4031 176.6129 16 L 4.1574 8.1404 119.3444 54.3433 42.0640 176.8671 17 P 4.2601 0.0000 0.0000 65.9046 31.4145 178.3505 18 K 4.4831 8.0207 114.1599 57.2185 31.7715 177.0444 19 H 4.8313 8.1686 115.8544 57.7058 30.2348 176.8371 20 K 3.3339 8.1702 119.3743 59.3890 31.6005 179.1767 21 A 3.9687 7.5343 119.5038 55.4430 18.6126 179.4933 22 T 3.9846 7.7555 107.9224 64.7873 68.8177 176.3162 23 L 3.9444 8.7917 124.2532 57.4658 41.7998 178.9168 24 L 4.0496 7.8380 120.6793 58.0824 41.9294 178.7970 25 G 3.2935 7.5543 103.9680 47.5686 0.0000 174.4840 26 L 4.4262 7.5736 119.0711 53.7685 41.7358 177.7622 27 G 3.9091 8.7073 107.7289 45.9672 0.0000 174.3811 28 L 3.8688 7.2151 118.1254 54.7865 39.5478 177.0344 29 R 4.0638 7.4890 123.3288 57.9723 30.7291 180.3677 30 R 4.2698 7.7044 121.7839 56.1006 31.4111 176.4948 31 I 4.0437 8.2954 110.5513 62.6316 38.0988 177.0940 32 G 3.9928 7.7519 109.1251 45.2516 0.0000 173.5625 33 H 3.8164 8.2324 119.1795 57.8909 30.0092 171.1024 34 T 4.1252 8.2931 123.6942 62.6971 68.2992 171.9384 35 V 4.5015 7.7689 124.2710 59.6969 34.6311 173.4535 36 E 5.0207 8.6690 122.7751 54.5012 30.3094 174.3063 37 R 4.5790 8.7065 129.5724 56.7763 33.1439 173.2770 38 E 4.9565 8.6758 117.2926 54.3398 32.6519 175.8983 39 D 4.8300 8.4160 123.5330 54.3418 42.5949 177.1606 40 T 4.0207 7.9028 114.1884 62.4407 70.2711 173.0154 41 P 4.3207 0.0000 0.0000 66.0430 31.2451 178.4617 42 A 3.9594 7.9486 119.3512 54.8178 18.4306 178.9598 43 I 3.5522 7.6705 115.5488 64.3698 37.6884 178.1239 44 R 4.0100 8.5113 119.7117 59.2145 29.6172 178.6583 45 G 3.6357 8.0048 105.7322 47.7808 0.0000 175.7299 46 M 4.0840 8.6242 121.3737 58.1082 31.6544 178.8944 47 I 3.7101 7.7397 119.2407 64.3858 37.7588 177.3870 48 N 4.3119 7.7566 116.9953 57.7216 38.5534 175.5646 49 A 4.0062 7.6498 119.4091 56.0133 18.5713 178.3679 50 V 4.0822 7.8573 106.1079 61.0052 33.1527 179.1993 51 S 4.2216 8.0248 116.6050 61.4955 62.9038 175.8069 52 F 4.6348 8.5796 112.3572 58.0743 37.5836 174.8036 53 M 4.6810 7.8182 120.5715 54.7866 33.3638 175.4345 54 V 5.1732 7.7318 109.6683 60.0218 36.1916 175.0604 55 K 4.4779 8.3668 125.3132 53.9015 31.5858 175.2621 56 V 4.0390 7.9567 123.2113 62.8586 32.9686 174.6768 57 E 4.6959 9.0649 124.7767 54.9119 33.9803 175.5657 58 E 4.2520 8.7946 122.8930 56.4977 30.1608 175.7916 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 A 8.25 4.35 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 2 K 8.07 3.78 0.00 1.95 1.73 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 3 T 9.21 4.54 4.37 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 1.25 0.00 0.00 4 I 7.95 3.52 2.02 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 1.41 1.06 0.91 0.00 0.00 5 K 9.13 5.14 0.00 1.67 1.67 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.42 7.81 6 I 9.12 4.71 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.88 0.00 0.00 7 T 7.84 4.84 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 8 Q 8.81 3.81 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.22 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 9 T 7.03 3.40 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 10 R 7.54 4.60 0.00 1.71 1.82 0.00 3.26 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 11 S 8.44 4.14 0.00 3.82 3.76 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 12 A 8.23 4.65 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.49 4.15 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 1.24 0.65 0.92 0.00 0.00 14 G 7.77 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 15 R 7.78 4.40 0.00 1.88 2.04 0.00 3.37 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 16 L 8.14 4.16 0.00 1.47 1.52 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.18 2.11 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 18 K 8.02 4.48 0.00 1.77 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 19 H 8.17 4.83 0.00 3.49 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.17 3.33 0.00 1.81 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.77 7.81 21 A 7.53 3.97 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 22 T 7.76 3.98 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 1.32 0.00 0.00 23 L 8.79 3.94 0.00 1.82 1.81 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.84 4.05 0.00 1.91 1.94 0.91 1.10 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 25 G 7.55 3.29 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 0.00 26 L 7.57 4.43 0.00 1.65 1.65 0.88 0.89 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 27 G 8.71 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 0.00 0.00 0.00 28 L 7.22 3.87 0.00 1.64 1.78 0.90 0.78 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 29 R 7.49 4.06 0.00 1.93 1.85 0.00 3.27 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 30 R 7.70 4.27 0.00 1.79 1.91 0.00 3.25 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 31 I 8.30 4.04 1.86 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 1.34 0.83 0.90 0.00 0.00 32 G 7.75 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 33 H 8.23 3.82 0.00 3.20 3.27 0.00 5.86 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 34 T 8.29 4.13 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 1.29 0.00 0.00 35 V 7.77 4.50 2.05 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 0.82 0.00 0.00 0.93 0.00 0.00 36 E 8.67 5.02 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 2.22 2.29 0.00 37 R 8.71 4.58 0.00 1.79 1.48 0.00 3.30 0.00 0.00 3.21 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 E 8.68 4.96 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 39 D 8.42 4.83 0.00 2.57 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 40 T 7.90 4.02 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 4.32 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 7.95 3.96 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 43 I 7.67 3.55 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.19 0.97 0.00 0.00 44 R 8.51 4.01 0.00 1.92 2.12 0.00 3.19 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 45 G 8.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.08 0.00 2.01 2.26 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 2.85 2.58 0.00 47 I 7.74 3.71 2.02 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 1.66 0.73 0.90 0.00 0.00 48 N 7.76 4.31 0.00 2.81 3.07 0.00 0.00 7.18 8.62 0.00 0.00 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 7.65 4.01 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 50 V 7.86 4.08 1.81 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 0.67 0.00 0.00 0.90 0.00 0.00 51 S 8.02 4.22 0.00 4.09 4.28 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 52 F 8.58 4.63 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.68 0.00 1.46 1.49 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 54 V 7.73 5.17 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 0.70 0.00 0.00 0.97 0.00 0.00 55 K 8.37 4.48 0.00 1.70 1.67 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 56 V 7.96 4.04 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 0.89 0.00 0.00 0.92 0.00 0.00 57 E 9.06 4.70 0.00 1.88 1.77 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 2.22 2.42 0.00 58 E 8.79 4.25 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00