NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.9999 7.8676 121.4528 62.8005 38.4755 177.5119 2 R 3.3644 7.5094 126.4030 56.8095 27.1273 177.1318 3 C 4.4988 8.8699 120.2755 56.4174 43.9774 174.2622 4 F 4.5391 8.7400 121.5185 57.0086 36.7502 173.7641 5 I 3.9218 7.9707 113.6326 63.1126 38.0944 175.6968 6 T 4.4656 7.1600 109.4236 59.0740 71.4024 173.0981 7 P 4.6035 0.0000 0.0000 62.2174 32.3514 174.9305 8 D 4.3934 8.7025 117.9271 57.3566 41.9915 175.0178 9 I 3.7002 8.8780 121.4398 59.9695 33.9417 173.0822 10 T 4.6778 8.8183 116.1977 64.0886 74.6039 174.1953 11 S 3.6978 7.3984 113.3750 60.3133 62.8822 175.9683 12 K 4.7993 7.4345 121.9506 54.3686 35.4775 174.9495 13 D 4.6129 8.5930 119.3733 53.9331 40.3844 175.1918 14 C 3.8528 8.8267 117.1450 54.9633 41.6648 173.3934 15 P 4.0504 0.0000 0.0000 64.2668 31.2690 175.4598 16 N 4.8106 7.3745 115.0120 51.9159 39.7749 173.4156 17 G 4.2510 8.2299 112.7201 45.4259 0.0000 170.1993 18 H 4.9408 8.6157 118.6119 56.4260 37.2236 173.8736 19 V 4.3894 7.2436 118.3419 60.9960 34.8507 174.7105 20 C 4.6653 9.0337 125.1055 56.8307 39.9570 172.4076 21 Y 4.0785 7.9290 129.6359 55.4767 36.7045 173.5465 22 T 4.2300 7.2108 123.5329 63.7158 68.5735 175.0433 23 K 4.1677 7.6690 121.9096 54.9971 32.1061 177.3194 24 T 4.4641 9.0852 131.3775 62.6040 67.1659 174.9066 25 W 4.6719 8.1309 130.5527 56.6504 32.2524 176.0668 26 C 4.4358 7.4953 121.2054 55.8584 40.9124 173.1717 27 D 3.3700 6.1664 121.1217 52.8433 40.3072 172.6258 28 A 4.3415 7.0553 120.6404 52.7572 26.2770 176.5869 29 F 4.7564 8.0748 111.4127 59.7931 40.5924 175.8874 30 C 3.7068 8.2560 117.3449 57.8337 35.6372 172.9093 31 S 4.3279 8.0842 112.2336 58.2793 62.9567 173.3552 32 I 4.1757 7.6082 120.8669 62.3587 38.2047 179.4119 33 R 3.0703 7.6154 122.3066 56.0597 31.8263 176.7716 34 G 4.9958 7.9462 117.1260 45.6472 0.0000 171.9329 35 K 4.0910 7.5058 119.3703 56.7809 33.4866 177.1462 36 R 4.4536 8.3609 119.9636 56.1876 30.6479 177.7694 37 V 3.2820 7.0689 119.1499 62.6122 31.7767 170.5142 38 D 4.2564 7.7965 117.0708 51.5868 39.4797 175.2074 39 L 4.9386 8.7446 121.6736 56.7888 45.4605 176.1848 40 G 4.3357 7.9264 101.8533 44.5668 0.0000 173.1674 41 C 3.8821 9.3059 110.4899 56.8718 35.9732 172.5733 42 A 4.0426 7.1498 123.5337 51.6206 21.8680 175.0825 43 A 4.6776 7.9230 118.1996 51.3290 21.5590 177.7952 44 T 3.3436 8.2997 111.4475 61.6628 69.5538 172.6811 45 C 5.1642 8.2483 117.0690 54.6146 43.0914 171.6346 46 P 4.2114 0.0000 0.0000 64.7900 31.7731 177.0697 47 T 4.4018 7.2804 111.8492 61.5672 71.5553 173.2287 48 V 3.3050 7.5672 119.8568 61.6746 30.0979 172.1401 49 K 4.2639 8.1170 120.0496 57.7740 38.4484 174.6492 50 T 3.3326 8.6780 109.3846 63.7157 68.2410 172.6380 51 G 3.9351 8.4393 104.7028 45.9730 0.0000 172.5649 52 V 4.5595 7.8798 121.8728 60.4693 33.0917 172.9796 53 D 4.6983 8.5725 125.7034 53.9302 41.6281 175.0729 54 I 4.7413 8.1891 125.1683 58.7706 38.8787 176.7894 55 Q 4.4678 8.7454 135.0000 54.7728 27.2533 174.0963 56 C 4.5022 7.9893 114.1894 56.4647 43.1415 173.5310 57 C 5.0237 9.2927 119.1776 52.8716 44.4343 174.8082 58 S 4.6021 8.5049 119.3899 58.2052 62.3028 173.3238 59 T 4.3743 7.5037 113.7408 60.7498 68.9276 174.0379 60 D 4.4546 8.6965 122.8680 56.9401 41.3754 178.1644 61 N 4.9393 7.6881 114.2421 52.1879 36.6511 177.8752 62 C 4.6256 7.8611 116.5192 57.7130 39.1076 171.5104 63 N 5.3249 8.0196 135.0000 53.5454 39.1787 171.1497 64 P 4.4496 0.0000 0.0000 61.5647 30.9463 173.3589 65 F 3.6923 8.2021 127.9107 57.2480 38.3691 175.5446 66 P 4.7150 0.0000 0.0000 62.5133 30.4516 176.0875 67 T 4.5270 8.1373 110.0483 61.6133 71.6803 171.7997 68 R 4.1705 8.8089 121.9468 56.2282 30.6821 178.8594 69 K 4.3612 9.0038 127.5626 57.3094 34.1140 174.8048 70 R 4.7052 8.2909 116.5813 57.9406 35.9289 173.4546 71 P 4.4264 0.0000 0.0000 62.8352 31.2635 176.2118 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 I 7.87 4.00 1.88 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 1.48 0.83 0.92 0.00 0.00 2 R 7.51 3.36 0.00 2.07 2.22 0.00 3.24 0.00 0.00 3.55 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 3 C 8.87 4.50 0.00 3.09 3.07 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 4 F 8.74 4.54 0.00 3.08 3.45 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 0.00 5 I 7.97 3.92 1.85 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.84 0.00 0.00 6 T 7.16 4.47 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 1.30 0.00 0.00 7 P 0.00 4.60 0.00 2.24 2.13 0.00 3.96 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 8 D 8.70 4.39 0.00 2.71 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 9 I 8.88 3.70 1.89 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 1.49 0.32 0.92 0.00 0.00 10 T 8.82 4.68 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 1.22 0.00 0.00 11 S 7.40 3.70 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.43 4.80 0.00 1.75 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 13 D 8.59 4.61 0.00 2.68 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 14 C 8.83 3.85 0.00 3.28 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 15 P 0.00 4.05 0.00 2.19 2.23 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 16 N 7.37 4.81 0.00 2.58 2.70 0.00 0.00 6.86 7.78 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 0.00 18 H 8.62 4.94 0.00 2.99 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.24 4.39 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 1.07 0.00 0.00 0.92 0.00 0.00 20 C 9.03 4.67 0.00 2.96 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 21 Y 7.93 4.08 0.00 3.12 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 22 T 7.21 4.23 4.17 0.00 0.00 0.00 0.00 0.00 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 23 K 7.67 4.17 0.00 1.58 1.74 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.56 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.38 7.81 24 T 9.09 4.46 4.32 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 1.24 0.00 0.00 25 W 8.13 4.67 0.00 3.41 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 26 C 7.50 4.44 0.00 2.78 2.85 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 27 D 6.17 3.37 0.00 2.34 2.41 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 28 A 7.06 4.34 0.75 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 29 F 8.07 4.76 0.00 3.01 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 30 C 8.26 3.71 0.00 3.14 3.34 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 31 S 8.08 4.33 0.00 3.93 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 32 I 7.61 4.18 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.95 0.00 0.00 33 R 7.62 3.07 0.00 1.88 2.26 0.00 3.50 0.00 0.00 3.24 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 34 G 7.95 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.51 4.09 0.00 1.81 1.85 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.59 7.81 36 R 8.36 4.45 0.00 1.81 1.94 0.00 3.53 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 37 V 7.07 3.28 2.15 0.00 0.00 0.00 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 0.97 0.00 0.00 38 D 7.80 4.26 0.00 2.86 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 39 L 8.74 4.94 0.00 1.77 2.10 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.93 4.34 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 0.00 41 C 9.31 3.88 0.00 3.15 3.74 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 0.00 0.00 0.00 0.00 42 A 7.15 4.04 0.71 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 0.00 0.00 43 A 7.92 4.68 1.08 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 0.00 0.00 44 T 8.30 3.34 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 45 C 8.25 5.16 0.00 2.95 3.03 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 0.00 0.00 0.00 46 P 0.00 4.21 0.00 2.23 2.16 0.00 3.97 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 47 T 7.28 4.40 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 1.26 0.00 0.00 48 V 7.57 3.31 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 0.76 0.00 0.00 0.94 0.00 0.00 49 K 8.12 4.26 0.00 2.08 1.84 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.18 7.81 50 T 8.68 3.33 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 51 G 8.44 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 4.56 2.34 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 1.23 0.00 0.00 1.36 0.00 0.00 53 D 8.57 4.70 0.00 2.66 2.62 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 54 I 8.19 4.74 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.43 0.54 0.00 0.00 55 Q 8.75 4.47 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 56 C 7.99 4.50 0.00 3.22 3.12 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 57 C 9.29 5.02 0.00 2.90 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 58 S 8.50 4.60 0.00 3.84 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 59 T 7.50 4.37 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 1.27 0.00 0.00 60 D 8.70 4.45 0.00 2.69 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 61 N 7.69 4.94 0.00 2.79 2.84 0.00 0.00 6.03 7.67 0.00 0.00 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 C 7.86 4.63 0.00 2.98 2.92 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 63 N 8.02 5.32 0.00 2.87 3.08 0.00 0.00 7.31 7.67 0.00 0.00 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 P 0.00 4.45 0.00 2.40 2.21 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 65 F 8.20 3.69 0.00 3.30 3.34 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 66 P 0.00 4.71 0.00 2.17 2.11 0.00 3.83 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 2.01 1.91 0.00 67 T 8.14 4.53 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 1.24 0.00 0.00 68 R 8.81 4.17 0.00 1.75 1.52 0.00 3.24 0.00 0.00 3.21 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 69 K 9.00 4.36 0.00 1.74 1.79 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 70 R 8.29 4.71 0.00 1.70 1.85 0.00 3.39 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 71 P 0.00 4.43 0.00 2.07 1.95 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00