NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3374 8.1593 117.3735 62.5462 70.0160 173.4272 2 P 4.3072 0.0000 0.0000 62.0792 32.5830 174.1534 3 D 4.4372 8.9119 121.7917 55.6655 41.5475 176.8107 4 C 4.8421 8.7602 119.0325 57.7952 46.2328 174.3049 5 V 4.7091 7.3999 110.1068 60.0076 36.0646 173.7189 6 T 5.0183 9.2473 118.7601 60.7298 72.0893 173.8534 7 G 4.0646 8.1059 113.0293 45.8634 0.0000 171.6431 8 K 4.7999 8.1033 119.3217 55.3351 33.2290 178.0651 9 V 3.9018 8.1992 121.9298 62.0840 30.8811 175.2065 10 E 4.2783 8.6900 130.1590 59.1430 30.0348 176.4408 11 Y 4.9192 7.1101 114.1635 56.4676 40.7597 173.0919 12 T 4.9711 8.7341 110.5746 60.0006 72.3823 173.1978 13 K 4.5078 8.2651 122.8450 54.9764 35.7466 174.3828 14 Y 4.5290 8.8239 129.1980 57.6663 39.7422 174.2768 15 N 5.0513 8.2713 123.5057 51.3736 41.3667 175.6272 16 D 4.5174 8.8564 119.7243 56.5202 41.5197 176.2641 17 D 4.8480 7.9219 117.4443 53.3895 39.8508 176.0399 18 D 3.9227 7.8819 116.2410 56.1572 39.2626 173.9491 19 T 4.4966 7.4167 110.5335 60.8787 71.5568 173.2583 20 F 5.1409 8.7284 122.7297 57.0597 42.2575 173.6492 21 T 5.2955 8.8244 123.7940 62.5324 70.9681 174.3586 22 V 4.7032 8.7419 122.4966 60.0812 35.6258 173.5959 23 K 4.7266 8.3425 124.2472 54.6073 34.6012 174.8971 24 V 4.5897 8.0769 127.0577 61.4700 34.8044 175.0598 25 G 3.6452 8.7950 115.9501 47.3673 0.0000 173.6361 26 D 4.7773 8.7143 124.5444 52.7060 39.9194 175.9880 27 K 4.7963 7.7735 119.1946 54.9109 35.3931 174.5154 28 E 4.8978 8.9162 125.2476 54.7822 31.2662 174.7006 29 L 5.5988 8.9884 126.1723 53.0176 46.6639 175.2952 30 F 5.6673 9.0648 114.7300 55.5670 41.8337 173.6805 31 T 4.3469 8.5646 113.9063 60.1575 70.3030 173.7967 32 N 4.9326 8.7866 124.6806 53.1127 37.9988 174.7239 33 R 4.3556 7.6646 119.8861 55.5081 30.9792 177.4999 34 W 4.3464 8.9228 123.6640 59.6084 29.5690 178.0634 35 N 4.2436 8.4790 116.1127 56.8110 37.9741 176.8088 36 L 4.2288 7.8817 119.2355 56.7087 41.7308 179.1446 37 Q 2.9112 7.9441 119.3147 58.8635 28.6700 179.0939 38 S 4.1782 7.7938 113.8409 60.5772 63.3567 176.3036 39 L 3.8377 7.2533 122.5659 57.7828 41.3917 179.1972 40 L 4.3190 8.4724 119.3997 57.9375 41.5888 179.4278 41 L 4.1786 8.2939 120.2790 58.2072 41.8948 179.2422 42 S 4.1331 8.1642 115.2181 61.4303 62.8572 176.4461 43 A 4.0683 8.1993 123.6202 55.0517 17.9340 179.5547 44 Q 3.9426 8.3904 118.1367 59.4751 29.0071 178.4569 45 I 3.7945 7.8032 119.8044 64.2762 37.3010 177.7265 46 T 4.3887 8.1172 107.5840 61.1212 69.0777 175.2174 47 G 3.9170 7.7168 109.4104 46.6503 0.0000 173.9219 48 M 4.2659 7.7723 118.8794 55.6170 33.5433 175.7225 49 T 4.6410 8.1688 118.9989 63.0022 69.9154 174.5611 50 V 4.8609 8.4728 119.7991 59.8318 35.2999 174.8898 51 T 4.8624 8.2243 118.6478 61.9091 71.9191 173.0382 52 I 4.5183 8.3078 127.2328 59.5116 39.4021 174.6514 53 K 4.8912 8.1598 126.8135 55.1793 33.3877 175.8314 54 T 4.4801 8.0045 117.5713 61.5759 70.3765 173.1748 55 N 4.4953 9.0932 123.1799 54.4753 39.4566 175.8466 56 A 4.5667 7.9364 124.5120 51.0452 18.2411 177.1821 57 C 4.8154 7.6886 126.3669 54.0676 44.2318 171.2749 58 H 4.9651 7.2345 117.2615 53.7718 31.6638 173.3538 59 N 4.6198 8.6037 117.8690 55.1325 38.5964 175.9598 60 G 4.0140 9.1854 111.4146 45.2094 0.0000 173.7079 61 G 3.9207 7.5602 107.4016 44.9150 0.0000 173.6521 62 G 3.7520 8.4031 108.3083 44.8697 0.0000 172.9616 63 F 5.2170 7.9880 115.5945 55.5410 40.6260 174.3674 64 S 4.4619 8.8616 111.9773 57.3619 64.6433 173.3329 65 E 4.7416 8.2662 121.6826 54.7855 31.2645 175.0715 66 V 4.7143 8.3624 123.3522 61.0411 35.2690 174.2717 67 I 4.4223 8.3181 127.3468 59.5246 39.8416 174.3326 68 F 4.9667 8.9155 126.0487 56.0291 40.1954 176.2029 69 R 4.3490 8.7966 122.0882 56.2717 30.5171 175.8334 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 T 8.16 4.34 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 1.25 0.00 0.00 2 P 0.00 4.31 0.00 2.18 2.16 0.00 3.70 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 2.23 2.06 0.00 3 D 8.91 4.44 0.00 2.53 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.76 4.84 0.00 2.91 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.40 4.71 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 0.71 0.00 0.00 0.81 0.00 0.00 6 T 9.25 5.02 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 7 G 8.11 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.10 4.80 0.00 1.65 1.77 0.00 1.80 0.00 0.00 1.20 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.27 7.81 9 V 8.20 3.90 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 0.77 0.00 0.00 0.96 0.00 0.00 10 E 8.69 4.28 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 2.44 2.30 0.00 11 Y 7.11 4.92 0.00 3.02 2.99 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 12 T 8.73 4.97 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 13 K 8.27 4.51 0.00 1.82 1.63 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.39 7.81 14 Y 8.82 4.53 0.00 3.24 2.91 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 15 N 8.27 5.05 0.00 2.73 2.61 0.00 0.00 6.32 7.48 0.00 0.00 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 D 8.86 4.52 0.00 2.64 2.70 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 17 D 7.92 4.85 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 3.92 0.00 3.12 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 19 T 7.42 4.50 4.45 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 1.46 0.00 0.00 20 F 8.73 5.14 0.00 2.92 2.93 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 21 T 8.82 5.30 4.21 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 0.00 0.00 0.00 1.31 0.00 0.00 22 V 8.74 4.70 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 0.64 0.00 0.00 0.94 0.00 0.00 23 K 8.34 4.73 0.00 0.91 0.74 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.14 7.81 24 V 8.08 4.59 1.91 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 0.83 0.00 0.00 0.78 0.00 0.00 25 G 8.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.78 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 27 K 7.77 4.80 0.00 1.61 1.66 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.44 7.81 28 E 8.92 4.90 0.00 2.11 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 2.26 2.29 0.00 29 L 8.99 5.60 0.00 1.64 1.82 0.70 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.06 5.67 0.00 3.06 3.08 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 31 T 8.56 4.35 2.69 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 1.06 0.00 0.00 32 N 8.79 4.93 0.00 2.96 3.05 0.00 0.00 6.19 7.66 0.00 0.00 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 R 7.66 4.36 0.00 1.83 1.91 0.00 3.24 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 34 W 8.92 4.35 0.00 3.30 3.14 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 35 N 8.48 4.24 0.00 2.77 2.95 0.00 0.00 7.17 6.74 0.00 0.00 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 L 7.88 4.23 0.00 1.86 1.85 1.02 1.19 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 37 Q 7.94 2.91 0.00 1.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 1.52 2.18 0.00 38 S 7.79 4.18 0.00 4.00 4.05 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 0.00 0.00 0.00 0.00 39 L 7.25 3.84 0.00 1.84 1.38 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.47 4.32 0.00 2.04 2.09 1.41 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.29 4.18 0.00 2.02 1.72 1.17 0.93 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 42 S 8.16 4.13 0.00 4.13 3.87 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 0.00 0.00 0.00 43 A 8.20 4.07 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.39 3.94 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 45 I 7.80 3.79 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 0.93 0.00 0.00 46 T 8.12 4.39 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 1.26 0.00 0.00 47 G 7.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.77 4.27 0.00 2.16 2.12 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 2.68 2.60 0.00 49 T 8.17 4.64 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 1.19 0.00 0.00 50 V 8.47 4.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 51 T 8.22 4.86 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 1.13 0.00 0.00 52 I 8.31 4.52 1.54 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.69 0.37 0.00 0.00 53 K 8.16 4.89 0.00 1.62 1.71 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.31 7.81 54 T 8.00 4.48 4.29 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 1.24 0.00 0.00 55 N 9.09 4.50 0.00 2.74 2.86 0.00 0.00 6.83 7.35 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 56 A 7.94 4.57 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 57 C 7.69 4.82 0.00 3.10 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 58 H 7.23 4.97 0.00 3.32 3.34 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.60 4.62 0.00 2.78 2.85 0.00 0.00 7.05 7.65 0.00 0.00 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 G 9.19 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.56 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.99 5.22 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.86 4.46 0.00 3.89 3.85 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 0.00 0.00 0.00 65 E 8.27 4.74 0.00 2.14 1.90 0.00 0.00 0.00 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 66 V 8.36 4.71 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 -0.06 0.00 0.00 1.07 0.00 0.00 67 I 8.32 4.42 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.90 0.00 0.00 68 F 8.92 4.97 0.00 2.91 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 69 R 8.80 4.35 0.00 1.82 1.79 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00