NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4063 8.3344 115.3946 58.3899 64.0935 173.8373 4 E 4.3717 7.4306 125.1667 54.4082 29.7757 174.1689 5 G 3.8004 8.3261 109.2487 45.2608 0.0000 170.9539 6 G 4.1615 7.6009 108.3003 45.4568 0.0000 174.8118 7 R 4.0281 7.9777 118.2842 55.5438 30.5717 176.5628 8 I 3.8425 8.1684 114.4531 60.1182 37.7517 174.3980 9 P 4.5909 0.0000 0.0000 62.9013 31.9905 175.9474 10 L 4.6774 8.4096 117.0295 54.8802 46.0729 177.9508 11 W 4.4620 8.4670 114.0977 57.5860 28.3039 177.8127 12 I 3.1862 6.9773 120.9543 63.5329 37.1766 177.5910 13 V 3.4610 7.5538 118.2864 66.1426 31.0381 177.7686 14 A 4.0243 8.3069 120.3706 54.9652 18.1152 179.2777 15 T 4.1088 7.0607 114.2868 65.8851 68.9498 176.8082 16 V 3.4272 8.5700 121.3003 65.8699 31.3394 177.6670 17 A 4.0067 8.1310 119.6495 55.2934 17.9984 179.5788 18 G 3.8711 7.4063 104.0388 48.7031 0.0000 175.6206 19 M 4.2700 7.8962 119.7834 57.3053 32.2867 178.9007 20 G 3.6609 8.1813 106.5394 47.8540 0.0000 175.5663 21 V 3.5052 8.4046 122.2769 65.8918 31.3262 178.1067 22 I 3.5373 7.3433 117.8507 64.3186 36.7234 178.4623 23 V 3.5419 8.0743 119.4338 65.3889 31.2957 178.3454 24 I 3.4278 7.2411 119.3085 63.9923 37.0134 178.1300 25 V 3.1368 7.5477 119.1789 65.8884 31.3609 177.9516 26 G 3.8077 7.8175 105.6289 47.9758 0.0000 174.9485 27 L 4.0217 7.5450 122.1780 58.1793 41.9991 179.0302 28 F 4.5706 8.0573 116.6074 60.5806 39.0359 177.3618 29 F 4.7646 8.3094 116.9568 60.1030 39.0665 177.0307 30 Y 4.0642 8.4370 119.3159 60.8508 38.4203 178.2543 31 G 3.8687 9.4038 106.6525 48.1695 0.0000 174.4924 32 A 4.1107 7.8158 119.9848 53.5957 18.5257 178.1390 33 Y 4.1309 9.1013 116.5155 59.7820 38.5191 177.6593 34 A 4.1690 7.6630 120.3523 54.2226 18.0948 178.7752 35 G 3.8934 7.8186 102.7097 46.6291 0.0000 175.8268 36 L 4.1777 7.8305 120.9788 56.8677 41.4158 179.3719 37 G 3.7964 7.6845 105.0884 46.7263 0.0000 174.2303 38 S 4.7032 7.1993 114.9216 57.9827 63.1831 174.0752 39 S 4.1974 8.0489 116.9064 58.4606 63.0447 174.0565 40 L 4.0543 8.2703 126.1782 55.7155 41.8062 173.5199 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 3 S 8.33 4.41 0.00 3.95 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 4 E 7.43 4.37 0.00 2.15 1.85 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 2.32 2.47 0.00 5 G 8.33 3.80 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 0.00 0.00 0.00 6 G 7.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.03 0.00 2.01 1.92 0.00 3.39 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 8 I 8.17 3.84 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 1.43 0.55 0.92 0.00 0.00 9 P 0.00 4.59 0.00 2.01 1.99 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 10 L 8.41 4.68 0.00 1.75 1.68 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.47 4.46 0.00 3.75 3.37 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 12 I 6.98 3.19 1.56 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.80 0.63 0.00 0.00 13 V 7.55 3.46 2.18 0.00 0.00 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 0.88 0.00 0.00 14 A 8.31 4.02 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 15 T 7.06 4.11 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 1.12 0.00 0.00 16 V 8.57 3.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.84 0.00 0.00 17 A 8.13 4.01 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 18 G 7.41 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.90 4.27 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 20 G 8.18 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.40 3.51 2.17 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 1.01 0.00 0.00 0.93 0.00 0.00 22 I 7.34 3.54 1.99 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 1.32 0.60 0.83 0.00 0.00 23 V 8.07 3.54 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 0.95 0.00 0.00 0.91 0.00 0.00 24 I 7.24 3.43 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.48 0.32 0.00 0.00 25 V 7.55 3.14 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 0.67 0.00 0.00 0.82 0.00 0.00 26 G 7.82 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 0.00 0.00 0.00 27 L 7.55 4.02 0.00 1.84 1.95 0.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.06 4.57 0.00 3.32 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 29 F 8.31 4.76 0.00 3.36 3.26 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 0.00 30 Y 8.44 4.06 0.00 3.21 3.15 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 0.00 0.00 0.00 0.00 31 G 9.40 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.82 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.10 4.13 0.00 2.83 2.81 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 34 A 7.66 4.17 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 35 G 7.82 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 36 L 7.83 4.18 0.00 1.57 1.63 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.68 3.80 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 0.00 0.00 0.00 38 S 7.20 4.70 0.00 3.88 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 39 S 8.05 4.20 0.00 3.96 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 40 L 8.27 4.05 0.00 1.53 1.49 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00