NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4724 8.3349 115.3026 58.2340 63.7634 172.5790 8 D 5.1260 8.4193 124.1773 51.1056 43.4379 174.4838 9 F 5.5003 9.1020 116.4482 55.4448 42.2019 173.5267 10 V 4.5961 9.0940 111.7020 59.5609 35.9893 174.8310 11 V 4.9460 8.6981 123.0284 61.3808 34.0102 174.6014 12 I 4.9956 8.8494 127.7957 59.5806 40.8918 174.0466 13 K 4.9610 9.4118 129.5026 54.2336 34.3499 175.1123 14 A 4.3869 8.6403 130.0428 52.0543 19.3035 177.3446 15 L 4.8851 8.7386 121.9198 54.3453 42.5809 175.7759 16 E 4.6591 7.6753 115.8935 55.0255 32.2952 174.3314 17 D 4.5213 8.3900 119.1436 55.4459 41.3397 176.3931 18 G 3.8161 8.2387 107.8469 46.5556 0.0000 174.1353 19 V 4.0018 7.9644 119.8433 62.5295 33.1778 174.3296 20 N 5.4119 8.8635 124.2855 51.4308 41.6661 173.5273 21 V 4.5414 8.7607 124.1796 61.3748 33.7133 174.2318 22 I 4.6758 8.6836 130.0588 59.3719 39.7860 175.0947 23 G 4.1076 8.9280 115.6882 45.5221 0.0000 172.3455 24 L 5.4154 8.9965 127.0146 53.4130 43.7726 176.3756 25 T 4.6998 8.8183 115.0748 61.5291 69.4074 174.4706 26 R 4.6589 8.0131 126.5525 56.8942 30.9275 175.1394 27 G 3.7337 8.8638 109.7808 43.9937 0.0000 172.8488 28 A 4.0888 8.7322 121.6638 54.8540 18.5176 178.0020 29 D 4.7823 7.7964 113.5978 53.2478 42.4884 176.4521 30 T 4.6323 8.2680 119.2186 61.8224 70.2739 173.0704 31 R 4.3531 8.6507 122.4874 54.0360 33.9181 174.6187 32 F 5.7407 8.3441 118.1540 55.8895 38.4312 175.9436 33 H 4.5012 8.8736 120.8619 58.1839 29.2042 175.1511 34 H 4.8884 7.5852 118.0950 54.8273 33.5235 172.5584 35 S 4.6992 7.9313 117.9921 56.6211 64.6934 172.5316 36 E 4.3211 8.9864 129.6364 55.4367 30.8525 175.0386 37 K 4.8774 8.5421 127.7634 55.3820 33.8308 175.4062 38 L 5.0153 9.0473 126.4549 53.1886 45.3286 176.0079 39 D 5.1440 9.6206 123.4236 52.0847 43.7798 175.4975 40 K 3.9731 9.2499 121.4874 59.7749 32.0071 175.8686 41 G 4.1048 8.9364 115.5784 45.4397 0.0000 173.4521 42 E 4.1830 8.1474 118.9873 56.6658 30.7952 176.3841 43 V 4.9272 8.2289 121.3449 61.0880 34.4664 174.1658 44 L 4.7466 8.9356 129.7612 53.3075 44.6961 174.9718 45 I 4.9893 8.4533 125.9461 59.6824 39.4193 174.5318 46 A 4.7466 8.8186 129.3208 50.0709 21.6248 175.3363 47 Q 4.8232 8.6127 120.9817 54.8867 30.5085 175.7636 48 F 4.6229 8.7047 120.8496 57.8699 40.0748 175.0719 49 T 4.7538 8.8817 111.4747 59.7930 71.8693 174.0357 50 E 4.1725 8.9106 121.0973 58.6816 29.6904 176.5419 51 H 4.8940 8.6375 113.3636 55.9082 32.4412 173.1068 52 T 5.2534 7.9370 114.4110 61.8905 70.6977 174.7368 53 S 4.9990 8.9741 119.6740 57.9739 64.8454 173.4078 54 A 5.2107 7.8906 121.2060 51.2569 22.5335 175.2605 55 I 5.0138 8.5875 121.0805 59.3714 40.6486 174.6592 56 K 4.5950 8.9441 128.2627 54.5082 34.5565 174.7245 57 V 5.0165 8.4044 126.7897 61.0154 34.0803 174.6794 58 R 4.5495 8.7992 123.0985 55.7150 32.7108 175.5218 59 G 4.1179 9.0139 107.9285 44.3558 0.0000 172.7610 60 K 4.4329 9.4136 121.4123 56.4420 33.0406 175.6738 61 A 5.1130 8.9999 128.3303 50.7964 23.4671 173.8313 62 Y 4.5905 9.5443 122.8883 56.3891 40.6206 174.4595 63 I 5.0877 7.9243 127.0063 59.5526 41.0987 174.3144 64 Q 4.9645 9.2764 126.1354 54.3319 31.3806 174.9140 65 T 4.8162 8.2304 113.0910 59.1482 72.1942 174.9407 66 R 3.9639 8.5623 121.3306 59.5831 29.8893 176.7043 67 H 4.4753 7.5003 111.9285 55.6015 29.2351 173.7733 68 G 3.7043 8.0961 105.8883 43.9225 0.0000 173.0198 69 V 4.3458 7.9130 111.6289 60.9318 32.8094 176.1679 70 I 4.4886 8.3214 122.9933 59.6874 41.8775 173.0539 71 E 5.0619 8.5545 128.0332 54.5110 31.5092 175.7522 72 S 4.4516 8.8671 119.8610 57.9828 64.7163 172.9523 73 E 4.8187 8.6468 123.3280 54.6967 31.2698 175.5769 74 G 3.8796 8.4722 111.6483 45.3986 0.0000 173.6228 75 K 4.2372 8.4511 121.6658 56.4336 32.2887 176.7588 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 7 S 8.33 4.47 0.00 3.91 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 8 D 8.42 5.13 0.00 2.84 2.79 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 9 F 9.10 5.50 0.00 3.02 2.96 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 0.00 0.00 0.00 10 V 9.09 4.60 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 0.64 0.00 0.00 0.84 0.00 0.00 11 V 8.70 4.95 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 1.15 0.00 0.00 1.22 0.00 0.00 12 I 8.85 5.00 1.88 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 1.11 0.63 0.92 0.00 0.00 13 K 9.41 4.96 0.00 1.81 1.76 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 14 A 8.64 4.39 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 15 L 8.74 4.89 0.00 1.54 1.71 1.02 0.76 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 16 E 7.68 4.66 0.00 2.02 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 2.37 2.33 0.00 17 D 8.39 4.52 0.00 2.69 2.63 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 18 G 8.24 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 4.00 2.19 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 0.84 0.00 0.00 0.96 0.00 0.00 20 N 8.86 5.41 0.00 2.59 2.57 0.00 0.00 6.37 7.45 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 21 V 8.76 4.54 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 0.93 0.00 0.00 0.91 0.00 0.00 22 I 8.68 4.68 1.54 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.30 0.35 0.00 0.00 23 G 8.93 4.11 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 0.00 24 L 9.00 5.42 0.00 1.88 1.71 1.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.82 4.70 4.31 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 1.40 0.00 0.00 26 R 8.01 4.66 0.00 1.90 1.99 0.00 3.26 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.09 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 29 D 7.80 4.78 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.63 4.20 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 1.22 0.00 0.00 31 R 8.65 4.35 0.00 1.74 1.86 0.00 2.74 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 1.46 1.58 0.00 32 F 8.34 5.74 0.00 2.97 2.89 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 0.00 0.00 0.00 33 H 8.87 4.50 0.00 3.28 3.51 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.59 4.89 0.00 3.37 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.93 4.70 0.00 3.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.32 0.00 2.25 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 2.31 2.31 0.00 37 K 8.54 4.88 0.00 1.78 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.44 7.81 38 L 9.05 5.02 0.00 1.54 1.50 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.62 5.14 0.00 2.54 2.80 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 0.00 0.00 0.00 40 K 9.25 3.97 0.00 1.66 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.52 7.81 41 G 8.94 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.15 4.18 0.00 2.09 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 2.33 2.26 0.00 43 V 8.23 4.93 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 8.94 4.75 0.00 1.78 1.47 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.99 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.82 0.00 0.00 46 A 8.82 4.75 1.14 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 47 Q 8.61 4.82 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 48 F 8.70 4.62 0.00 3.00 2.97 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 49 T 8.88 4.75 4.31 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 1.29 0.00 0.00 50 E 8.91 4.17 0.00 1.95 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 2.08 2.28 0.00 51 H 8.64 4.89 0.00 3.11 3.17 0.00 5.81 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 52 T 7.94 5.25 4.38 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 1.36 0.00 0.00 53 S 8.97 5.00 0.00 3.90 4.09 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 0.00 0.00 0.00 0.00 54 A 7.89 5.21 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 55 I 8.59 5.01 1.84 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.85 0.00 0.00 56 K 8.94 4.60 0.00 1.81 1.51 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.40 5.02 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 0.88 0.00 0.00 0.91 0.00 0.00 58 R 8.80 4.55 0.00 1.86 1.91 0.00 2.66 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 59 G 9.01 4.12 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 0.00 0.00 0.00 60 K 9.41 4.43 0.00 1.81 1.72 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.44 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.56 7.81 61 A 9.00 5.11 1.25 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 0.00 0.00 0.00 62 Y 9.54 4.59 0.00 3.12 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.92 5.09 1.96 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 1.22 0.53 0.86 0.00 0.00 64 Q 9.28 4.96 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 65 T 8.23 4.82 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 1.17 0.00 0.00 66 R 8.56 3.96 0.00 1.63 1.88 0.00 3.22 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 67 H 7.50 4.48 0.00 3.19 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.10 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 69 V 7.91 4.35 1.68 0.00 0.00 0.00 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 0.86 0.00 0.00 70 I 8.32 4.49 1.80 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 1.16 1.23 0.84 0.00 0.00 71 E 8.55 5.06 0.00 1.81 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 0.00 2.10 2.10 0.00 72 S 8.87 4.45 0.00 3.88 3.96 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 0.00 0.00 0.00 73 E 8.65 4.82 0.00 1.97 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 2.22 2.36 0.00 74 G 8.47 3.88 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 0.00 0.00 0.00 75 K 8.45 4.24 0.00 1.72 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81