NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6993 8.4249 118.2172 52.5753 39.2188 174.1953 3 Q 4.3046 7.7238 116.6630 55.5629 28.8905 175.6634 4 G 3.8094 8.8372 108.2454 47.3487 0.0000 174.3792 5 K 4.3889 7.8171 119.0433 56.1756 32.6150 178.1137 6 I 3.4084 7.6014 122.1944 63.7532 37.7634 177.3015 7 W 5.2203 7.7517 116.4030 56.9492 29.0978 176.9682 8 T 4.2270 7.9472 109.3017 63.2270 68.8117 175.7794 9 V 4.1694 7.6669 113.9226 61.9785 34.0685 175.9466 10 V 4.1234 7.9957 120.4853 60.9796 32.5491 174.2266 11 N 4.7039 8.8246 125.6475 53.3172 39.7037 173.6923 12 P 4.3672 0.0000 0.0000 65.3860 31.2690 178.1336 13 A 3.9652 8.1632 120.1539 54.4257 18.4617 178.8032 14 I 4.2287 7.6594 117.5839 63.4542 38.0843 178.2113 15 G 3.9264 8.5697 106.9258 47.9521 0.0000 175.8286 16 I 3.6783 7.7223 122.3432 63.6795 37.0622 176.7576 17 P 4.2223 0.0000 0.0000 65.5125 31.0648 178.4782 18 A 4.0006 8.1656 119.6171 54.9101 18.2252 179.3961 19 L 3.9346 8.2385 118.9573 58.4316 42.3742 179.2713 20 L 4.1025 8.1924 119.0875 57.7615 41.5096 179.8251 21 G 3.6303 8.4305 105.9788 47.8116 0.0000 175.9494 22 S 4.1329 8.3951 117.9389 61.4034 62.8928 176.8742 23 V 3.6316 7.9872 120.9566 66.4102 31.2239 178.2354 24 T 3.8913 7.8771 115.1200 66.4956 68.2063 176.7548 25 V 3.6166 7.9929 120.2949 66.1945 31.4469 178.0765 26 I 3.6940 7.9443 119.1533 64.3846 36.9367 178.2460 27 A 4.0654 8.0798 121.5511 55.2084 18.1417 179.7777 28 I 3.6931 7.9453 118.2399 64.5718 37.1826 178.6291 29 L 4.0092 8.2193 120.0646 57.8406 41.4651 179.8019 30 V 3.6164 8.1780 118.3909 66.1976 31.4511 177.7175 31 H 4.2698 8.3770 115.9339 59.1681 28.7216 177.8619 32 L 4.0157 8.3249 120.5545 57.4942 41.1657 179.4544 33 A 4.0170 8.0194 120.0938 55.3449 18.7917 179.4110 34 I 3.7280 7.8261 118.2921 64.4057 36.9303 178.3031 35 L 3.4969 7.8409 120.1067 58.1178 41.8836 178.7613 36 S 4.3227 7.7323 112.6666 59.8264 62.9914 174.5299 37 H 4.8231 7.5535 116.5672 55.0753 29.7461 173.0007 38 T 4.5914 7.3350 108.6547 59.7998 71.6904 173.8239 39 T 4.1446 8.1684 111.9490 63.4758 69.8343 177.0070 40 W 4.4015 7.7549 119.7450 58.8676 27.8181 178.2706 41 F 4.2849 7.1506 121.9481 60.8657 38.7527 175.3163 42 P 3.9270 0.0000 0.0000 65.5715 31.1149 178.3866 43 A 4.0558 8.1217 119.4653 55.1367 17.9939 179.0047 44 Y 4.3522 8.0309 117.5435 60.9885 39.0028 178.2388 45 W 4.3728 7.7850 117.9124 59.7683 29.2358 178.0175 46 Q 4.1401 8.5087 119.1275 58.6575 28.7200 177.9867 47 G 3.6275 9.2549 109.4784 45.2542 0.0000 174.5690 48 G 4.1333 8.7617 109.9477 46.5526 0.0000 173.2110 49 V 4.3701 7.0359 112.0043 60.0971 33.2197 175.3666 50 K 4.8786 8.2060 120.9286 56.7151 40.3500 175.6876 51 K 4.0403 8.1226 121.9633 55.3366 38.0443 177.5733 52 A 3.9346 10.4036 113.2459 51.7829 17.8982 178.9388 53 A 4.1362 8.0569 120.3682 53.0066 18.9955 176.5811 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 N 8.42 4.70 0.00 2.84 2.98 0.00 0.00 5.96 6.50 0.00 0.00 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 Q 7.72 4.30 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 4 G 8.84 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.82 4.39 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.41 7.81 6 I 7.60 3.41 1.53 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.62 -0.41 0.00 0.00 7 W 7.75 5.22 0.00 3.34 3.19 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 0.00 8 T 7.95 4.23 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 1.28 0.00 0.00 9 V 7.67 4.17 2.06 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 0.71 0.00 0.00 0.96 0.00 0.00 10 V 8.00 4.12 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 1.11 0.00 0.00 0.85 0.00 0.00 11 N 8.82 4.70 0.00 2.85 2.77 0.00 0.00 6.97 7.71 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 12 P 0.00 4.37 0.00 1.83 1.43 0.00 3.81 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 13 A 8.16 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 14 I 7.66 4.23 2.04 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 1.60 1.24 0.95 0.00 0.00 15 G 8.57 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 16 I 7.72 3.68 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.13 0.80 0.00 0.00 17 P 0.00 4.22 0.00 2.16 2.10 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 18 A 8.17 4.00 1.43 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 0.00 0.00 0.00 19 L 8.24 3.93 0.00 1.97 1.95 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.19 4.10 0.00 1.74 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.43 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.13 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.63 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 1.06 0.00 0.00 1.01 0.00 0.00 24 T 7.88 3.89 4.40 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 1.23 0.00 0.00 25 V 7.99 3.62 2.24 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 1.14 0.00 0.00 1.00 0.00 0.00 26 I 7.94 3.69 2.05 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 1.48 0.69 0.94 0.00 0.00 27 A 8.08 4.07 1.43 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 0.00 0.00 0.00 28 I 7.95 3.69 2.05 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 1.55 0.68 0.95 0.00 0.00 29 L 8.22 4.01 0.00 1.86 1.75 0.94 1.14 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 30 V 8.18 3.62 2.14 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 1.04 0.00 0.00 1.01 0.00 0.00 31 H 8.38 4.27 0.00 3.62 3.56 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.32 4.02 0.00 1.72 1.73 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.02 4.02 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 34 I 7.83 3.73 1.91 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 1.39 1.01 0.63 0.00 0.00 35 L 7.84 3.50 0.00 1.14 1.66 -0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.73 4.32 0.00 3.99 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 37 H 7.55 4.82 0.00 3.19 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.33 4.59 3.25 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 0.83 0.00 0.00 39 T 8.17 4.14 4.27 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 1.21 0.00 0.00 40 W 7.75 4.40 0.00 3.53 3.36 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 41 F 7.15 4.28 0.00 1.95 2.39 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 42 P 0.00 3.93 0.00 2.11 1.97 0.00 3.54 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 43 A 8.12 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.03 4.35 0.00 3.20 3.43 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 0.00 45 W 7.79 4.37 0.00 3.54 3.04 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 0.00 0.00 0.00 46 Q 8.51 4.14 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.96 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.25 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.76 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 0.00 0.00 0.00 49 V 7.04 4.37 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 0.97 0.00 0.00 50 K 8.21 4.88 0.00 1.71 1.79 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.38 7.81 51 K 8.12 4.04 0.00 1.66 1.05 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.31 7.81 52 A 10.40 3.93 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 53 A 8.06 4.14 1.20 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 0.00 0.00 0.00