NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4723 0.0000 0.0000 62.6478 33.6909 174.4018 2 H 5.1674 8.7681 121.5320 54.1025 32.0305 171.3080 3 I 4.4538 8.7594 127.2638 59.4276 40.2038 173.4668 4 D 5.2631 8.6907 126.2628 52.4464 43.5295 174.8505 5 I 4.5333 8.8447 127.1224 59.5893 39.6371 174.5286 6 K 5.3814 8.8045 126.9112 54.8977 34.2337 175.3753 7 C 4.6739 8.9682 118.2883 56.7854 33.5608 173.3532 8 F 5.4381 8.1623 117.8537 56.1561 39.4967 173.7768 9 P 4.4639 0.0000 0.0000 63.3415 31.5180 176.3154 10 R 4.5418 8.4775 123.8429 55.2271 34.1842 175.3952 11 E 4.3325 8.6455 117.1698 55.0500 29.5599 176.7479 12 L 4.9516 8.2620 124.6812 51.5119 44.8135 177.3965 13 D 4.7596 9.2248 124.8528 52.1923 42.5012 177.2596 14 E 3.9504 8.5051 117.9440 59.6151 29.3580 179.2051 15 Q 3.9780 8.0945 119.0815 59.3077 29.1441 178.2804 16 Q 3.9885 8.6869 119.2467 58.8930 28.7099 178.8739 17 K 3.9561 8.2112 119.2671 59.5137 32.0841 179.3478 18 A 3.9773 8.1946 120.7990 54.9693 18.2852 179.6105 19 A 3.9232 8.2266 119.5058 55.0426 18.4576 179.5334 20 L 3.8735 8.0950 118.6992 58.3626 42.1109 179.0650 21 A 3.9889 8.2476 120.5407 55.1720 18.3049 179.5099 22 A 3.9529 8.2452 119.3435 55.3802 18.5791 179.6623 23 D 4.3406 8.2735 117.4854 57.4412 40.8546 179.0850 24 I 3.7299 7.9436 120.3991 64.5679 37.0377 178.3685 25 T 3.8809 8.1855 116.9427 67.0799 68.3106 176.3637 26 D 4.3644 8.2075 120.4659 57.1334 40.7873 179.0104 27 V 3.6300 7.7296 118.5132 66.1178 31.4653 178.2109 28 I 3.7634 7.9431 119.5365 64.3283 36.9835 178.3808 29 I 3.6963 8.0993 121.0309 64.5263 36.7452 178.6732 30 R 3.8709 7.9215 117.4156 59.5767 30.0130 178.3811 31 H 4.5219 8.2034 113.9656 56.8455 29.1652 176.0987 32 L 4.5374 8.0350 118.1028 53.6030 42.5116 175.9374 33 N 4.2998 7.8616 114.5206 54.3435 36.4970 174.7294 34 S 4.5305 7.9849 112.3910 57.8297 64.4733 174.1534 35 K 4.4275 8.1498 121.2874 55.1825 33.5862 177.4516 36 D 4.3821 8.8750 121.7520 57.7791 41.1122 179.1899 37 S 4.2169 8.0690 113.1390 61.1895 62.8816 175.1962 38 S 4.4116 7.8547 112.5650 58.8632 63.3321 173.6847 39 I 4.7945 7.5877 123.4589 60.0583 38.1828 175.3108 40 S 4.9291 8.8987 121.1433 56.6344 66.4787 173.1364 41 I 5.0886 8.3179 121.0996 59.7893 40.7194 174.2226 42 A 4.8364 9.1493 128.8737 49.9682 22.0151 175.0803 43 L 5.0371 8.5270 122.2877 53.5332 44.7506 175.5169 44 Q 4.7232 9.3269 126.5770 54.1802 31.3288 174.9900 45 Q 4.9552 8.8295 123.7700 55.4077 29.9758 175.3382 46 I 4.7217 9.0549 125.0293 59.3410 40.3110 175.6936 47 Q 4.2039 8.7643 125.4705 55.0747 29.6805 175.4570 48 P 3.4813 0.0000 0.0000 65.6194 31.3707 178.6178 49 E 4.1200 8.0611 115.5720 58.4586 29.8336 177.5092 50 S 4.7419 8.2492 114.5291 58.0912 63.5657 175.7706 51 W 4.3916 8.4025 132.6519 60.3240 30.3451 177.6404 52 Q 4.0576 8.4662 119.1773 59.3105 28.3851 178.2450 53 A 4.0733 7.7446 120.3852 55.0901 18.2936 179.7663 54 I 3.4178 7.3357 117.8958 63.9762 37.0742 178.0776 55 W 3.9977 8.0163 129.4036 60.7992 30.3157 177.8122 56 D 4.3535 8.5556 117.4909 56.9890 40.2933 178.0286 57 A 4.2447 7.7931 120.1757 53.7088 19.1842 178.3735 58 E 4.3890 8.2663 115.0838 56.5418 31.5330 177.3468 59 I 3.8798 7.0672 117.7544 62.7612 38.2713 177.3499 60 A 3.5104 7.0729 121.6366 54.6781 18.0452 177.9494 61 P 4.2288 0.0000 0.0000 64.8877 31.8414 177.5198 62 Q 4.4438 7.3310 116.7709 55.6501 29.3007 176.5925 63 M 3.7738 7.4454 122.0102 59.0645 31.9379 178.3404 64 E 3.7712 8.0561 116.0628 59.1870 29.8543 178.2704 65 A 4.1451 7.2067 118.7001 53.8665 18.8701 177.9148 66 L 4.0321 7.3788 115.9357 55.3065 42.0351 177.6351 67 I 3.9846 8.1767 114.8014 61.9932 38.3362 175.8400 68 K 4.4457 7.6355 121.7170 54.6548 34.5745 175.2834 69 K 4.3907 8.4875 125.9388 54.3356 33.3906 174.9586 70 P 4.4389 0.0000 0.0000 62.8308 31.7516 176.9541 71 G 3.7419 8.7490 109.5603 47.4120 0.0000 173.2825 72 Y 4.6847 7.6887 117.2592 55.5664 40.0021 174.5175 73 S 4.3687 8.2094 113.3267 57.0535 65.4463 173.1201 74 M 4.1800 6.2592 124.5281 54.8429 32.3354 176.1209 75 N 4.9259 7.8586 114.9951 52.3978 39.2158 174.1485 76 A 4.2742 7.8094 125.2786 52.4827 19.0399 177.5646 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 P 0.00 4.47 0.00 2.10 2.04 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 2 H 8.77 5.17 0.00 3.18 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.76 4.45 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.89 0.00 0.00 4 D 8.69 5.26 0.00 2.64 2.52 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 5 I 8.84 4.53 1.90 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 1.24 0.48 0.95 0.00 0.00 6 K 8.80 5.38 0.00 1.82 2.05 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 7 C 8.97 4.67 0.00 2.89 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 8 F 8.16 5.44 0.00 2.74 2.78 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 0.00 0.00 0.00 0.00 9 P 0.00 4.46 0.00 1.93 2.01 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 10 R 8.48 4.54 0.00 1.75 1.77 0.00 3.32 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 11 E 8.65 4.33 0.00 1.98 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 0.00 2.20 1.89 0.00 12 L 8.26 4.95 0.00 1.56 1.58 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.22 4.76 0.00 2.91 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 14 E 8.51 3.95 0.00 2.00 2.04 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 2.40 2.31 0.00 15 Q 8.09 3.98 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 16 Q 8.69 3.99 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 17 K 8.21 3.96 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.60 7.81 18 A 8.19 3.98 1.36 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 0.00 0.00 19 A 8.23 3.92 1.36 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 0.00 0.00 20 L 8.09 3.87 0.00 1.78 1.94 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.25 3.99 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 22 A 8.25 3.95 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 23 D 8.27 4.34 0.00 2.80 2.73 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 24 I 7.94 3.73 1.99 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 1.71 0.93 0.91 0.00 0.00 25 T 8.19 3.88 4.46 0.00 0.00 0.00 0.00 0.00 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 26 D 8.21 4.36 0.00 2.71 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 27 V 7.73 3.63 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 1.07 0.00 0.00 1.01 0.00 0.00 28 I 7.94 3.76 2.02 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 1.73 0.83 0.92 0.00 0.00 29 I 8.10 3.70 2.02 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 1.72 1.10 0.91 0.00 0.00 30 R 7.92 3.87 0.00 1.91 1.84 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 31 H 8.20 4.52 0.00 3.16 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.03 4.54 0.00 1.73 1.68 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.86 4.30 0.00 2.89 2.90 0.00 0.00 6.95 7.74 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 34 S 7.98 4.53 0.00 3.86 3.79 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 35 K 8.15 4.43 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.36 7.81 36 D 8.87 4.38 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 37 S 8.07 4.22 0.00 3.90 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 38 S 7.85 4.41 0.00 4.02 3.98 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 39 I 7.59 4.79 1.99 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 1.29 0.74 0.92 0.00 0.00 40 S 8.90 4.93 0.00 3.95 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 41 I 8.32 5.09 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 1.26 0.66 0.96 0.00 0.00 42 A 9.15 4.84 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 43 L 8.53 5.04 0.00 1.62 1.57 1.01 0.71 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 44 Q 9.33 4.72 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 45 Q 8.83 4.96 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 46 I 9.05 4.72 2.49 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.21 1.23 0.00 0.00 47 Q 8.76 4.20 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 48 P 0.00 3.48 0.00 1.82 1.25 0.00 3.35 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 1.67 0.90 0.00 49 E 8.06 4.12 0.00 1.94 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 2.29 2.34 0.00 50 S 8.25 4.74 0.00 4.08 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 51 W 8.40 4.39 0.00 3.86 3.32 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 52 Q 8.47 4.06 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 53 A 7.74 4.07 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 54 I 7.34 3.42 0.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.40 0.25 0.00 0.00 55 W 8.02 4.00 0.00 3.46 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 0.00 56 D 8.56 4.35 0.00 2.69 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 57 A 7.79 4.24 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.39 0.00 1.84 1.86 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 2.12 2.33 0.00 59 I 7.07 3.88 1.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.15 0.00 0.00 60 A 7.07 3.51 1.04 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 0.00 0.00 61 P 0.00 4.23 0.00 2.15 2.13 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 62 Q 7.33 4.44 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 63 M 7.45 3.77 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 64 E 8.06 3.77 0.00 1.96 1.97 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 2.29 2.28 0.00 65 A 7.21 4.15 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 66 L 7.38 4.03 0.00 1.70 1.73 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.18 3.98 1.85 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 1.28 0.52 0.89 0.00 0.00 68 K 7.64 4.45 0.00 1.66 1.67 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.45 7.81 69 K 8.49 4.39 0.00 1.74 1.68 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 70 P 0.00 4.44 0.00 1.75 1.89 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 71 G 8.75 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 0.00 0.00 0.00 72 Y 7.69 4.68 0.00 3.09 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 73 S 8.21 4.37 0.00 3.83 3.68 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 0.00 0.00 0.00 0.00 74 M 6.26 4.18 0.00 1.48 0.57 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.25 0.00 75 N 7.86 4.93 0.00 2.77 2.83 0.00 0.00 6.97 7.28 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 76 A 7.81 4.27 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00