NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4596 8.1933 116.7948 58.7093 65.3903 175.4212 9 I 3.4704 7.9087 120.7142 64.3329 36.6748 176.4162 10 A 3.9877 8.2864 121.2981 55.1941 18.4687 179.1272 11 Q 3.8792 8.1919 117.7043 59.1619 29.2510 177.7554 12 A 3.9763 7.9808 121.2575 55.5201 18.4350 179.3777 13 R 3.8952 8.0759 116.2101 59.6521 29.9531 179.3875 14 K 3.9646 7.4781 116.7977 59.2934 32.2015 178.9716 15 L 4.0392 8.0355 120.6057 58.0201 42.1625 178.7018 16 V 3.5635 8.1440 118.6261 66.5540 31.2053 177.9605 17 E 4.2160 8.0596 116.1841 59.1677 29.6007 179.0789 18 Q 4.0911 8.3081 120.1766 58.9490 29.2230 177.7420 19 L 3.9614 7.8757 119.4685 57.9746 41.6700 179.2323 20 K 3.8452 8.4887 118.5403 60.1310 31.7809 179.0417 21 M 4.0371 7.6153 117.1645 58.3593 31.9526 177.9793 22 E 4.1515 7.9590 117.4101 58.4820 30.1044 178.0022 23 A 4.1147 8.3909 120.5012 54.8314 19.8136 178.3400 24 N 4.6735 8.1929 115.0876 52.7039 37.5391 174.4839 25 I 4.5604 7.0312 111.0899 58.5533 41.0404 176.4866 26 D 4.4683 8.3771 121.3068 53.0048 37.8423 176.0516 27 R 4.3697 8.0071 126.7474 55.8598 31.5056 175.0650 28 I 4.7326 7.6100 119.4941 58.5507 41.4392 175.9131 29 K 4.3031 8.3057 121.4027 55.5904 33.9834 178.2304 30 V 3.5939 8.3951 122.3860 66.5690 31.4026 178.4488 31 S 4.1689 8.1953 113.0967 61.6080 62.3834 176.6698 32 K 3.9289 7.9549 120.9411 59.1131 32.0578 178.8825 33 A 3.9554 8.0441 120.6899 55.2034 18.2669 179.2603 34 A 3.8634 9.6393 118.7295 55.4626 18.4473 179.4461 35 A 3.9480 8.1171 118.8392 55.4940 18.3991 179.2828 36 D 4.2819 8.3303 116.3524 57.4534 41.2609 178.5488 37 L 3.9630 7.9080 119.3101 58.1812 41.6942 178.8433 38 M 3.9978 8.4245 118.2461 59.3439 32.0148 177.5791 39 A 4.0019 8.7250 121.0876 54.8565 18.5416 178.5023 40 Y 3.9550 8.8197 116.8727 61.4497 38.9349 178.5224 41 C 4.2644 8.7950 117.6095 63.1022 28.0647 175.8749 42 E 4.0499 8.5244 120.6632 59.2428 29.1640 179.2916 43 A 4.0269 8.1583 120.9950 55.1306 18.8685 178.4594 44 H 4.4448 8.2977 111.6986 55.8282 28.8168 177.2865 45 A 4.2039 7.6483 124.4884 55.0524 18.1400 179.3400 46 K 4.2029 7.8726 116.4762 58.2464 32.7634 176.3550 47 E 4.3325 8.4390 118.1992 56.7268 29.7808 176.2511 48 D 4.7154 7.8639 118.7706 51.6841 42.6654 173.9184 49 P 4.4169 0.0000 0.0000 65.2356 31.4695 177.6834 50 L 4.3759 7.8339 115.7946 55.2802 42.0918 176.8858 51 L 4.4059 7.9211 117.2853 56.2019 43.3803 176.8513 52 T 4.3314 7.7424 117.8919 61.4723 67.9263 173.6355 53 P 4.5916 0.0000 0.0000 61.7258 29.1955 176.2952 54 V 3.5986 8.1261 120.3077 63.0322 32.5345 173.3388 55 P 3.8698 0.0000 0.0000 62.4094 28.9923 174.8036 56 A 4.1896 8.1705 122.2238 52.5238 16.3069 176.8058 57 S 4.5234 7.6243 112.3457 58.7442 65.0911 174.4861 58 E 4.6774 8.4828 116.4994 55.6725 33.3420 175.3614 59 N 3.9410 8.5033 117.2211 54.9320 36.8380 175.1369 60 P 3.2633 0.0000 0.0000 63.1913 32.6856 174.6388 61 F 4.5307 7.4839 121.6126 57.7520 39.5459 175.2929 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 8 S 8.19 4.46 0.00 3.90 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 9 I 7.91 3.47 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 1.57 0.49 0.91 0.00 0.00 10 A 8.29 3.99 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 11 Q 8.19 3.88 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 12 A 7.98 3.98 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 13 R 8.08 3.90 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 14 K 7.48 3.96 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.56 7.81 15 L 8.04 4.04 0.00 1.76 1.84 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.14 3.56 2.20 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 0.85 0.00 0.00 0.96 0.00 0.00 17 E 8.06 4.22 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 18 Q 8.31 4.09 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 19 L 7.88 3.96 0.00 1.89 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.49 3.85 0.00 1.95 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.72 7.81 21 M 7.62 4.04 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 22 E 7.96 4.15 0.00 1.95 1.96 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 2.27 2.36 0.00 23 A 8.39 4.11 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 24 N 8.19 4.67 0.00 2.80 2.81 0.00 0.00 6.91 7.07 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 25 I 7.03 4.56 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 1.73 0.67 0.96 0.00 0.00 26 D 8.38 4.47 0.00 2.81 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 27 R 8.01 4.37 0.00 1.79 1.88 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 28 I 7.61 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 1.42 0.72 0.91 0.00 0.00 29 K 8.31 4.30 0.00 1.80 1.72 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 30 V 8.40 3.59 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 1.09 0.00 0.00 0.93 0.00 0.00 31 S 8.20 4.17 0.00 4.09 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 32 K 7.95 3.93 0.00 2.00 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.50 7.81 33 A 8.04 3.96 1.39 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 0.00 0.00 34 A 9.64 3.86 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 35 A 8.12 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.28 0.00 3.11 2.71 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 0.00 0.00 0.00 37 L 7.91 3.96 0.00 1.93 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.42 4.00 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 39 A 8.73 4.00 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 40 Y 8.82 3.95 0.00 3.03 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 41 C 8.80 4.26 0.00 3.24 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 42 E 8.52 4.05 0.00 2.05 2.03 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 2.36 2.57 0.00 43 A 8.16 4.03 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.30 4.44 0.00 3.20 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.65 4.20 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 46 K 7.87 4.20 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.45 7.81 47 E 8.44 4.33 0.00 2.08 1.98 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 2.32 2.39 0.00 48 D 7.86 4.72 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.11 2.14 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 50 L 7.83 4.38 0.00 1.61 1.71 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.92 4.41 0.00 1.79 1.69 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.74 4.33 4.35 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 1.22 0.00 0.00 53 P 0.00 4.59 0.00 2.04 2.04 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 54 V 8.13 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 55 P 0.00 3.87 0.00 2.10 1.96 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 56 A 8.17 4.19 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 57 S 7.62 4.52 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.68 0.00 2.06 1.96 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 2.19 2.27 0.00 59 N 8.50 3.94 0.00 2.83 2.90 0.00 0.00 6.35 7.75 0.00 0.00 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 P 0.00 3.26 0.00 1.94 1.60 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 61 F 7.48 4.53 0.00 3.02 2.88 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 0.00 0.00 0.00