NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4828 8.1633 118.3254 55.4040 33.8263 173.1372 2 Q 4.9172 8.2489 116.7864 52.2426 31.3687 173.7750 3 I 4.6677 9.0439 117.8565 59.0312 41.8284 173.9799 4 F 5.3449 8.9126 121.6116 55.8604 42.3538 175.0613 5 V 4.8570 8.9356 121.3410 61.2486 34.2924 174.0075 6 K 5.0396 9.1666 130.5660 55.2188 34.4451 175.7795 7 T 4.9961 8.7064 117.5410 60.1181 71.2415 175.5088 8 L 4.1982 8.5780 120.9535 56.8588 41.8187 178.1112 9 T 4.2420 7.5278 107.7575 61.4567 69.0054 175.7143 10 G 3.9656 7.9035 111.5043 45.0735 0.0000 174.1885 11 K 4.2363 7.7996 121.0701 56.7279 33.5246 175.5412 12 T 5.1530 8.4319 121.6082 61.8069 71.7331 173.4922 13 I 4.5685 8.9653 125.7146 59.8582 40.1878 174.8325 14 T 4.7858 8.6924 124.2329 62.9499 69.6920 174.3092 15 L 4.7608 8.7289 125.4065 52.8172 45.6755 175.0727 16 E 4.9191 8.7270 124.0585 55.1336 30.3399 175.2896 17 V 4.7233 8.6982 119.7118 59.8689 36.4080 174.5675 18 E 4.7349 8.7764 121.1662 53.9275 31.4707 175.8766 19 P 4.4361 0.0000 0.0000 65.4026 31.5822 177.9425 20 S 4.3614 7.8578 110.5426 59.2556 62.8909 173.7102 21 D 4.5028 8.3981 121.8926 54.8277 41.3669 176.0983 22 T 4.7075 8.1967 113.8645 61.0338 71.4600 175.8405 23 I 3.7207 8.4155 123.3633 64.6519 37.0924 178.5520 24 E 3.9445 7.8129 117.9026 59.6474 29.3669 178.9010 25 N 4.2713 8.0974 116.2903 56.5789 38.6078 177.5592 26 V 3.5612 7.8595 119.1880 66.0723 31.6520 178.2810 27 K 4.2121 8.5882 119.3590 58.8090 31.9390 179.2240 28 A 4.0404 8.1136 121.2537 54.8874 18.2302 179.8394 29 K 4.1616 8.0019 117.3059 59.5677 32.1532 179.6803 30 I 3.7613 7.9976 120.3594 64.2974 36.9406 178.2495 31 Q 4.2617 8.2024 121.8987 58.5447 28.5973 178.0803 32 D 4.3211 7.6525 118.9053 57.4555 41.0150 178.6277 33 K 4.1966 7.9297 117.5219 58.4179 32.1094 177.7335 34 E 4.4865 8.4001 116.2051 54.9598 31.5064 177.6203 35 G 3.9603 8.5346 106.7109 45.4007 0.0000 173.5577 36 I 3.9557 7.1455 121.9918 59.8581 37.7036 173.9703 37 P 4.4512 0.0000 0.0000 61.7786 32.0777 175.5930 38 P 4.2867 0.0000 0.0000 65.7608 31.3865 178.1422 39 D 4.4471 8.0692 115.6181 55.3285 39.6558 176.6310 40 Q 4.4018 8.2019 118.3783 55.9354 29.3429 174.5025 41 Q 4.8547 8.0167 118.9626 54.4633 30.9038 174.7627 42 R 4.7852 9.0678 122.8809 54.3273 33.3045 174.6201 43 L 5.2469 8.5091 123.0425 53.0351 44.8149 175.3665 44 I 5.0712 8.7966 123.3582 59.5381 41.1720 174.3226 45 F 5.0142 8.9889 127.6988 57.1078 43.0707 174.2088 46 A 3.4666 8.9780 127.1595 53.0630 15.9886 177.7033 47 G 3.8887 8.3839 104.3417 47.0222 0.0000 174.1982 48 K 4.6394 8.0881 119.0719 54.0626 34.9508 175.4129 49 Q 4.5527 8.5016 121.7763 55.8185 29.4642 175.5296 50 L 4.1793 8.5930 124.3740 53.9162 43.1845 175.9829 51 E 4.6677 8.9127 122.4911 54.6338 31.8083 176.7699 52 D 4.4005 9.1248 123.5073 57.6926 41.0225 179.0987 53 G 3.8409 7.9941 104.7859 46.6049 0.0000 173.6388 54 R 4.3647 7.8146 119.7677 55.2352 31.9089 175.3717 55 T 5.0051 8.1880 109.2796 59.8877 71.2296 175.8324 56 L 4.0040 8.6300 122.4473 58.1140 41.2632 179.7821 57 S 4.0994 7.7401 111.7632 61.6332 61.9496 176.0854 58 D 4.2575 7.7530 120.5781 56.4652 40.5021 176.6523 59 Y 4.5796 7.4370 114.5041 57.1826 38.1883 174.9556 60 N 4.2341 7.8220 116.9447 54.5522 37.7732 174.0324 61 I 3.6535 7.6605 117.4171 60.6374 38.1562 175.0906 62 Q 4.4696 8.5632 127.4915 54.2769 31.1331 174.1261 63 K 3.9665 8.8798 121.7391 59.3980 32.4459 176.7717 64 E 3.8887 8.6874 123.8238 57.2189 28.0435 175.0157 65 S 4.5228 7.8468 114.1454 59.2497 64.2031 173.3777 66 T 5.1339 8.7304 119.4708 62.0758 70.2936 173.8472 67 L 5.0094 9.1519 126.8319 53.6708 44.7977 175.0333 68 H 5.2964 9.2206 118.7422 54.0806 31.2929 173.0522 69 L 5.0207 8.8481 126.2922 53.4832 43.4730 175.6536 70 V 4.5005 8.8530 126.1238 61.1519 34.5381 174.6926 71 L 4.5941 8.5410 126.8656 54.9111 41.8079 175.5204 72 R 3.9168 9.1137 119.9173 53.1834 30.0456 176.8345 73 L 3.7598 7.4737 121.5833 56.0505 40.7015 175.2347 74 R 4.2553 7.3818 115.7590 55.8500 30.8757 177.3685 75 G 3.7263 8.3702 110.2280 45.9239 0.0000 172.1968 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 M 8.16 4.48 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 2 Q 8.25 4.92 0.00 1.89 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 3 I 9.04 4.67 1.89 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 1.12 0.91 0.86 0.00 0.00 4 F 8.91 5.34 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 5 V 8.94 4.86 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 0.96 0.00 0.00 0.95 0.00 0.00 6 K 9.17 5.04 0.00 1.81 1.56 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 7 T 8.71 5.00 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 1.27 0.00 0.00 8 L 8.58 4.20 0.00 1.67 1.77 0.92 0.85 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 9 T 7.53 4.24 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 1.21 0.00 0.00 10 G 7.90 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 0.00 0.00 0.00 11 K 7.80 4.24 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.48 7.81 12 T 8.43 5.15 4.22 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 1.25 0.00 0.00 13 I 8.97 4.57 1.97 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 1.25 0.79 0.93 0.00 0.00 14 T 8.69 4.79 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 1.24 0.00 0.00 15 L 8.73 4.76 0.00 1.45 1.45 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.92 0.00 1.91 1.82 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 2.20 2.35 0.00 17 V 8.70 4.72 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 0.70 0.00 0.00 0.86 0.00 0.00 18 E 8.78 4.73 0.00 1.90 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 2.20 2.23 0.00 19 P 0.00 4.44 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.86 4.36 0.00 3.81 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 21 D 8.40 4.50 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.71 4.33 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 1.21 0.00 0.00 23 I 8.42 3.72 2.03 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 1.85 1.04 0.92 0.00 0.00 24 E 7.81 3.94 0.00 2.08 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 2.34 2.50 0.00 25 N 8.10 4.27 0.00 2.94 2.88 0.00 0.00 6.75 7.63 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 26 V 7.86 3.56 2.23 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 1.01 0.00 0.00 0.98 0.00 0.00 27 K 8.59 4.21 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 8.11 4.04 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 29 K 8.00 4.16 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.71 7.81 30 I 8.00 3.76 2.14 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 1.41 0.96 0.92 0.00 0.00 31 Q 8.20 4.26 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 32 D 7.65 4.32 0.00 2.90 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 33 K 7.93 4.20 0.00 1.75 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 34 E 8.40 4.49 0.00 2.07 1.93 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 2.31 2.36 0.00 35 G 8.53 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 0.00 0.00 0.00 36 I 7.15 3.96 1.88 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 1.30 1.13 0.92 0.00 0.00 37 P 0.00 4.45 0.00 2.33 1.97 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.07 4.45 0.00 2.77 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 Q 8.20 4.40 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 41 Q 8.02 4.85 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 42 R 9.07 4.79 0.00 1.85 1.80 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.51 5.25 0.00 1.55 1.53 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.80 5.07 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 1.10 0.65 0.94 0.00 0.00 45 F 8.99 5.01 0.00 2.98 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 46 A 8.98 3.47 0.78 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 0.00 0.00 47 G 8.38 3.89 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 0.00 0.00 0.00 48 K 8.09 4.64 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.53 7.81 49 Q 8.50 4.55 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 50 L 8.59 4.18 0.00 1.40 1.39 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.91 4.67 0.00 2.06 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 2.30 2.38 0.00 52 D 9.12 4.40 0.00 2.72 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.99 3.84 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 0.00 0.00 0.00 54 R 7.81 4.36 0.00 2.00 1.78 0.00 3.19 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 55 T 8.19 5.01 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 1.23 0.00 0.00 56 L 8.63 4.00 0.00 1.66 1.69 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.74 4.10 0.00 3.99 3.83 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 58 D 7.75 4.26 0.00 2.57 2.27 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 0.00 59 Y 7.44 4.58 0.00 2.85 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 60 N 7.82 4.23 0.00 2.91 3.10 0.00 0.00 7.13 7.73 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 61 I 7.66 3.65 1.70 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.67 0.00 0.00 62 Q 8.56 4.47 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 63 K 8.88 3.97 0.00 1.69 1.76 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.56 7.81 64 E 8.69 3.89 0.00 2.26 2.26 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 2.44 2.32 0.00 65 S 7.85 4.52 0.00 3.89 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 66 T 8.73 5.13 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 1.18 0.00 0.00 67 L 9.15 5.01 0.00 1.63 1.61 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.22 5.30 0.00 3.09 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.85 5.02 0.00 1.62 1.57 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.85 4.50 2.09 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.54 4.59 0.00 1.57 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.11 3.92 0.00 2.01 1.75 0.00 3.43 0.00 0.00 3.17 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 73 L 7.47 3.76 0.00 1.76 1.74 0.92 1.18 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 74 R 7.38 4.26 0.00 1.80 1.86 0.00 3.13 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 75 G 8.37 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