NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3644 8.3193 115.2874 57.2691 63.6793 173.3572 2 P 4.4240 0.0000 0.0000 62.4347 32.8757 173.4004 3 K 5.1993 8.9151 120.5967 54.8717 36.2775 176.2917 4 A 5.0476 8.6548 122.6216 50.5679 23.2366 175.3142 5 V 4.4424 8.6290 120.7611 61.5484 33.6269 175.0219 6 A 4.4549 8.6960 130.3830 51.9981 18.6393 178.2575 7 L 4.1031 9.1669 124.0615 57.0323 42.4399 177.1463 8 Y 5.1881 7.7024 113.5677 55.9031 41.8772 175.8714 9 S 4.7229 8.9545 117.5779 58.9071 64.2865 173.5730 10 F 5.0086 8.8931 124.3858 56.5140 41.4342 175.6924 11 A 3.6701 8.7573 129.5076 52.9157 18.9746 177.0351 12 G 3.2344 5.8924 103.0203 46.5483 0.0000 174.2085 13 E 3.9994 7.6877 116.8208 58.3118 30.5957 178.0579 14 E 4.3882 8.1760 118.6113 54.7862 30.7106 175.7915 15 S 4.3729 8.3285 116.2304 59.9511 62.9898 174.5076 16 G 4.0928 9.0201 115.7321 45.2464 0.0000 172.9637 17 D 5.2487 7.7948 119.0568 54.3622 41.8142 176.1520 18 L 4.7671 9.2000 125.3578 52.9408 42.5782 174.4207 19 P 4.5248 0.0000 0.0000 63.0168 32.4965 175.2003 20 F 4.9075 8.2002 115.0058 56.5825 41.7355 172.6944 21 R 5.0619 9.3438 118.3633 53.7281 33.1396 176.0326 22 K 4.0517 8.7435 123.0811 58.7341 32.4519 177.0780 23 G 4.0349 9.0259 115.2038 45.1850 0.0000 173.5759 24 D 4.5091 8.1994 120.1882 54.4556 42.1403 175.4681 25 V 4.5598 8.1931 121.8511 61.4972 33.1604 174.8344 26 I 4.3924 8.5383 129.4012 60.2824 39.2871 174.9716 27 T 4.5996 8.4730 123.7685 63.0289 69.7522 173.9124 28 I 4.6780 8.5500 128.4033 61.0238 37.3337 175.8034 29 L 4.5703 9.0205 127.1813 55.5370 43.5952 177.1049 30 K 4.5957 7.7645 119.5953 54.8352 35.5347 174.8835 31 K 3.8619 8.3116 125.5601 54.7402 35.8673 175.0132 32 S 4.7479 7.3808 114.9917 56.5730 65.5596 173.5058 33 D 4.7086 8.5805 118.2413 54.9291 40.7354 176.3462 34 S 4.7165 8.3014 114.7562 56.6439 65.1315 173.6876 35 Q 3.9369 8.8848 127.0209 56.5992 28.5176 175.3656 36 N 4.7254 8.1295 111.9068 53.1616 39.6188 174.4412 37 D 4.8992 7.6346 120.5392 52.9463 43.8524 174.8597 38 W 4.5838 8.7724 119.2059 55.6007 30.3148 176.6821 39 W 4.9433 8.0614 124.2344 55.4885 32.0792 174.7346 40 T 5.1770 8.6510 117.6969 62.3469 70.8493 174.4482 41 G 4.5689 9.4833 112.3727 45.9740 0.0000 171.4549 42 R 5.4839 8.6966 114.9587 55.0509 33.2121 174.6340 43 V 4.3883 8.9397 117.7316 61.9109 35.0016 172.5112 44 N 3.9592 9.8293 117.9160 54.4565 35.8496 175.4381 45 G 3.9541 8.5544 104.1992 45.6153 0.0000 173.9444 46 R 4.7962 7.8989 118.2510 54.1775 32.9067 174.8540 47 E 5.1577 8.9868 118.1864 54.0785 33.4985 176.2748 48 G 4.0715 7.7889 108.3295 46.1534 0.0000 171.1601 49 I 5.4065 7.9309 112.8224 59.6634 40.5709 174.7445 50 F 4.8123 8.5478 117.4448 54.6370 41.8959 171.4675 51 P 3.0859 0.0000 0.0000 61.8730 31.6164 177.2295 52 A 3.5185 8.1087 128.9495 54.0853 18.2727 178.9740 53 N 4.3216 7.5542 112.3678 55.6845 37.7440 175.7723 54 Y 4.2864 8.1479 116.2037 59.4397 38.1722 175.2790 55 V 4.9188 7.4819 112.2965 59.2472 35.6346 174.6025 56 E 4.6392 8.9365 123.6253 54.0697 31.9827 175.2599 57 L 4.5338 8.7066 127.3038 54.9040 42.6100 177.5003 58 V 3.7952 8.4152 122.0610 63.1756 31.4365 175.5979 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 S 8.32 4.36 0.00 3.84 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 2 P 0.00 4.42 0.00 2.30 2.14 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 3 K 8.92 5.20 0.00 1.74 1.70 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 A 8.65 5.05 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 5 V 8.63 4.44 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 0.89 0.00 0.00 0.90 0.00 0.00 6 A 8.70 4.45 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 7 L 9.17 4.10 0.00 1.37 1.39 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.70 5.19 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.95 4.72 0.00 3.81 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 10 F 8.89 5.01 0.00 2.63 1.46 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 0.00 11 A 8.76 3.67 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 12 G 5.89 3.23 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 0.00 0.00 0.00 0.00 13 E 7.69 4.00 0.00 1.92 1.98 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 2.23 2.19 0.00 14 E 8.18 4.39 0.00 2.36 1.84 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 2.32 2.38 0.00 15 S 8.33 4.37 0.00 3.83 3.77 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 0.00 0.00 0.00 16 G 9.02 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 0.00 0.00 0.00 17 D 7.79 5.25 0.00 2.88 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 18 L 9.20 4.77 0.00 1.98 2.06 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.52 0.00 2.03 2.06 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 20 F 8.20 4.91 0.00 3.27 3.17 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 0.00 21 R 9.34 5.06 0.00 1.79 1.91 0.00 3.34 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 22 K 8.74 4.05 0.00 1.89 1.83 0.00 1.98 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 23 G 9.03 4.03 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 0.00 0.00 0.00 24 D 8.20 4.51 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.19 4.56 2.05 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 0.81 0.00 0.00 0.90 0.00 0.00 26 I 8.54 4.39 1.51 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.39 0.70 0.00 0.00 27 T 8.47 4.60 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 1.23 0.00 0.00 28 I 8.55 4.68 1.99 0.00 0.00 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 1.45 0.89 0.83 0.00 0.00 29 L 9.02 4.57 0.00 1.63 1.74 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.76 4.60 0.00 1.81 1.59 0.00 1.44 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.43 7.81 31 K 8.31 3.86 0.00 0.79 0.74 0.00 1.03 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.84 0.89 7.81 32 S 7.38 4.75 0.00 4.05 4.02 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 33 D 8.58 4.71 0.00 2.73 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 34 S 8.30 4.72 0.00 3.89 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 35 Q 8.88 3.94 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 1.86 1.58 0.00 36 N 8.13 4.73 0.00 2.61 2.79 0.00 0.00 6.84 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 37 D 7.63 4.90 0.00 2.85 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 38 W 8.77 4.58 0.00 3.06 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 39 W 8.06 4.94 0.00 2.42 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 40 T 8.65 5.18 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 1.32 0.00 0.00 41 G 9.48 4.57 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 0.00 0.00 0.00 42 R 8.70 5.48 0.00 2.04 2.04 0.00 2.84 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 43 V 8.94 4.39 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 0.68 0.00 0.00 0.98 0.00 0.00 44 N 9.83 3.96 0.00 2.94 2.98 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 45 G 8.55 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.80 0.00 2.06 1.87 0.00 3.10 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 47 E 8.99 5.16 0.00 1.96 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 2.26 2.32 0.00 48 G 7.79 4.07 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 0.00 0.00 0.00 49 I 7.93 5.41 2.17 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 1.64 1.48 1.08 0.00 0.00 50 F 8.55 4.81 0.00 2.86 3.35 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 51 P 0.00 3.09 0.00 1.27 0.77 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 52 A 8.11 3.52 -0.53 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 0.00 0.00 53 N 7.55 4.32 0.00 2.82 2.98 0.00 0.00 6.08 7.55 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 54 Y 8.15 4.29 0.00 3.27 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 55 V 7.48 4.92 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 0.33 0.00 0.00 1.07 0.00 0.00 56 E 8.94 4.64 0.00 1.92 1.73 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 2.17 2.23 0.00 57 L 8.71 4.53 0.00 1.65 1.66 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.42 3.80 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 0.71 0.00 0.00 0.92 0.00 0.00