NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0114 8.3393 109.7363 44.8613 0.0000 174.1351 2 S 4.1754 7.8652 112.7307 57.9628 65.0447 172.9626 3 S 4.4560 8.0288 114.2428 56.0117 64.2581 173.5576 4 G 4.0366 7.6213 112.1655 45.3867 0.0000 172.5423 5 S 4.4208 8.2938 115.7336 58.1116 63.6104 174.3074 6 S 4.4896 8.3039 117.6084 56.8595 65.2018 173.9076 7 G 4.0307 8.3435 116.5276 44.3305 0.0000 172.2604 8 H 4.6151 8.3806 116.0446 54.0009 29.6547 173.7278 9 P 4.4079 0.0000 0.0000 63.0077 31.7998 175.5261 10 M 4.5760 8.3344 122.1902 53.0390 33.9371 175.3574 11 C 3.9464 8.6646 121.9081 59.9941 32.2288 174.7679 12 K 3.9966 8.8130 126.3577 59.7273 32.0016 177.9911 13 E 3.8975 8.3176 117.7710 59.2711 29.5252 177.2061 14 H 4.6976 7.2468 122.1758 53.6816 27.8951 174.4885 15 E 4.1051 8.8234 123.3075 58.6720 29.3051 178.0399 16 D 4.7578 7.6365 119.4199 50.2092 38.5582 173.2635 17 E 4.3668 7.8761 124.5242 55.6739 31.7662 174.8231 18 K 4.0242 8.6705 127.1128 56.2260 32.3615 177.1923 19 I 3.7156 8.4265 124.8958 62.3421 37.6439 175.0267 20 N 4.7112 8.9400 121.6225 54.1983 39.9331 174.4071 21 I 4.7177 6.9621 108.8720 59.0038 41.1845 173.9863 22 Y 4.7302 8.1379 121.5274 55.8459 41.2259 174.2225 23 C 4.2523 8.0808 126.8404 59.3781 33.0012 172.8628 24 L 4.2592 8.2968 122.1889 57.0458 42.7887 179.1227 25 T 3.6388 7.1250 112.8217 67.5908 69.0491 175.6480 26 C 4.1078 7.7475 118.5736 59.2135 30.8780 172.9813 27 E 3.6909 7.9693 118.2103 56.9828 26.2194 175.0254 28 V 4.4556 6.9213 111.2930 58.9518 36.5069 175.4576 29 P 4.9924 0.0000 0.0000 63.1213 28.7700 175.2372 30 T 4.6879 7.8524 122.5245 60.4226 71.0279 173.1300 31 C 4.6162 8.3789 119.7952 57.9963 30.9810 173.4231 32 S 4.3358 8.4086 111.7606 60.8972 61.9821 175.7180 33 M 4.2265 8.0482 120.2733 58.5759 32.0861 177.8492 34 C 4.3804 8.0522 115.8548 61.6740 28.2757 175.4356 35 K 4.6624 7.6003 121.5217 57.8816 32.1883 178.0794 36 V 3.8620 7.6649 111.3729 61.5527 32.4571 176.1675 37 F 5.2991 7.9500 116.6061 56.2694 40.4726 174.3760 38 G 4.3218 8.0619 110.9333 45.4580 0.0000 173.3762 39 I 4.0851 8.3120 112.7508 62.2569 39.3982 176.3832 40 H 4.5434 7.9347 120.5778 55.3397 26.1649 175.7917 41 K 4.0701 7.7344 121.8919 58.3326 33.5773 179.7766 42 A 4.1091 7.8397 119.4989 54.8211 18.5292 177.0090 43 C 4.9861 7.0281 110.5440 59.3858 29.7544 173.3400 44 E 4.5224 8.5058 117.7167 55.1256 31.8621 175.7823 45 V 4.5610 8.3409 117.4494 60.3714 33.5176 175.3421 46 A 4.8790 8.5772 124.3629 49.1976 23.4119 174.4158 47 P 4.6501 0.0000 0.0000 62.1366 29.5691 176.7124 48 L 3.7879 8.3920 128.6264 58.7545 42.5182 178.1528 49 Q 4.1044 8.0472 118.6242 58.9627 29.1168 177.3189 50 S 4.3790 8.0771 109.7671 59.5331 65.6273 174.9686 51 V 3.2431 7.7576 115.4727 63.7511 28.9083 171.2658 52 F 4.3666 7.8689 121.2954 57.1639 40.7299 174.3657 53 Q 3.7840 6.8011 123.1752 57.2452 29.0670 177.1644 54 G 4.0112 8.7587 109.0081 46.0146 0.0000 173.4868 55 Q 4.3119 8.3403 121.4803 55.9767 29.6613 175.8985 56 K 4.6089 8.3874 118.7683 56.6650 33.1571 177.1005 57 T 4.4511 7.5045 110.4376 60.2099 69.6655 172.4596 58 E 4.3822 8.6943 125.7304 57.4278 31.6620 176.2983 59 S 4.0720 7.8862 112.7799 58.7986 62.8493 173.6564 60 G 4.0176 8.9547 116.5422 45.0433 0.0000 171.5981 61 P 4.4296 0.0000 0.0000 62.3396 32.1705 175.6572 62 S 4.6156 8.3641 114.4537 56.8598 64.4499 173.7809 63 S 4.6351 8.4326 119.1541 56.2867 64.0246 173.8434 64 G 4.2475 8.4466 111.7077 45.8262 0.0000 173.5311 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 G 8.34 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 2 S 7.87 4.18 0.00 4.01 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 3 S 8.03 4.46 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 4.04 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 0.00 5 S 8.29 4.42 0.00 3.87 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 6 S 8.30 4.49 0.00 3.75 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 7 G 8.34 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 8 H 8.38 4.62 0.00 3.17 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.75 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 4.41 0.00 2.22 2.10 0.00 3.82 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 2.05 2.04 0.00 10 M 8.33 4.58 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 11 C 8.66 3.95 0.00 2.98 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 12 K 8.81 4.00 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 13 E 8.32 3.90 0.00 1.90 1.94 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 2.18 2.18 0.00 14 H 7.25 4.70 0.00 3.23 3.29 0.00 5.93 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.82 4.11 0.00 2.06 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 0.00 2.30 2.41 0.00 16 D 7.64 4.76 0.00 2.77 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 17 E 7.88 4.37 0.00 1.93 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 0.00 2.17 2.29 0.00 18 K 8.67 4.02 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.52 7.81 19 I 8.43 3.72 1.90 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 1.46 0.93 1.02 0.00 0.00 20 N 8.94 4.71 0.00 2.69 2.84 0.00 0.00 6.86 7.46 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 21 I 6.96 4.72 1.89 0.00 0.00 0.81 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 0.86 0.91 0.00 0.00 22 Y 8.14 4.73 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 23 C 8.08 4.25 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.26 0.00 1.93 1.66 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.12 3.64 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 1.19 0.00 0.00 26 C 7.75 4.11 0.00 3.06 3.05 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 27 E 7.97 3.69 0.00 2.19 2.19 0.00 0.00 0.00 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 2.56 0.00 28 V 6.92 4.46 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 0.72 0.00 0.00 0.83 0.00 0.00 29 P 0.00 4.99 0.00 2.18 2.40 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 30 T 7.85 4.69 4.08 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 0.95 0.00 0.00 31 C 8.38 4.62 0.00 3.10 2.96 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 32 S 8.41 4.34 0.00 3.87 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 33 M 8.05 4.23 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.81 0.00 34 C 8.05 4.38 0.00 2.98 3.06 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 35 K 7.60 4.66 0.00 1.67 1.87 0.00 1.50 0.00 0.00 2.22 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.26 7.81 36 V 7.66 3.86 1.14 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 0.55 0.00 0.00 -0.44 0.00 0.00 37 F 7.95 5.30 0.00 3.16 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 38 G 8.06 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 0.00 0.00 0.00 0.00 39 I 8.31 4.09 1.81 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 1.18 0.84 0.90 0.00 0.00 40 H 7.93 4.54 0.00 3.26 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.73 4.07 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.51 7.81 42 A 7.84 4.11 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 43 C 7.03 4.99 0.00 2.85 2.90 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 0.00 0.00 0.00 44 E 8.51 4.52 0.00 1.82 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 2.27 2.24 0.00 45 V 8.34 4.56 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 0.54 0.00 0.00 0.90 0.00 0.00 46 A 8.58 4.88 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 47 P 0.00 4.65 0.00 2.26 2.26 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 48 L 8.39 3.79 0.00 1.71 1.85 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.05 4.10 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 50 S 8.08 4.38 0.00 3.91 3.91 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 51 V 7.76 3.24 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 0.71 0.00 0.00 0.99 0.00 0.00 52 F 7.87 4.37 0.00 3.02 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 53 Q 6.80 3.78 0.00 1.65 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 5.11 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 54 G 8.76 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 55 Q 8.34 4.31 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.47 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 56 K 8.39 4.61 0.00 1.74 1.81 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.43 7.81 57 T 7.50 4.45 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 1.22 0.00 0.00 58 E 8.69 4.38 0.00 1.90 1.95 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 2.17 2.25 0.00 59 S 7.89 4.07 0.00 3.86 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 60 G 8.95 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 0.00 0.00 0.00 61 P 0.00 4.43 0.00 2.19 2.07 0.00 3.75 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 1.99 1.95 0.00 62 S 8.36 4.62 0.00 3.98 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 63 S 8.43 4.64 0.00 3.84 3.78 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 64 G 8.45 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