NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.7263 8.1693 120.9948 56.3992 41.6363 177.0529 2 N 4.6074 9.3144 117.7370 49.8364 38.3449 173.1117 3 T 4.8128 7.9097 108.1407 59.7038 74.1988 174.5061 4 F 4.3328 8.9901 123.1487 62.0019 39.2094 176.5430 5 Y 3.8838 8.2635 118.2614 60.7284 38.6996 177.3482 6 D 4.1481 8.0905 119.5183 57.6953 40.9671 179.3409 7 V 3.5779 7.5712 117.8648 65.9259 31.2781 178.1618 8 Q 3.7323 7.3407 117.9830 58.9240 28.3418 178.1254 9 Q 3.3472 7.5386 119.5735 59.0837 29.1717 178.2533 10 L 4.1183 7.5213 120.6062 57.9503 42.2490 178.8326 11 L 4.3204 8.2127 119.3165 57.5065 41.4934 179.4761 12 K 4.1463 8.8405 121.2463 59.2434 31.7820 179.1888 13 T 3.9711 7.1692 113.3317 65.5697 68.2046 174.8693 14 F 4.8511 8.0327 117.7431 57.0321 40.7376 175.1784 15 G 4.0215 8.3586 114.4676 43.7833 0.0000 176.9051 16 H 3.8596 9.6962 122.9545 57.5720 29.0527 173.9305 17 I 2.8969 8.3424 112.3436 59.8423 36.2962 173.9105 18 V 2.8659 7.7877 116.2695 62.2372 30.3028 175.5160 19 Y 3.6851 8.3508 128.2293 58.7845 34.2325 168.5240 20 F 5.0268 9.8015 120.1762 56.4643 40.5068 176.3291 21 G 3.8471 9.8656 108.2356 46.2631 0.0000 174.0927 22 D 4.3591 8.2052 118.0971 51.9218 43.3080 174.5807 23 R 4.1503 9.0491 129.5104 59.0305 30.1937 177.9157 24 E 3.9766 8.2706 116.4757 59.4725 29.5333 178.7986 25 L 4.2283 8.3602 119.8049 57.4064 41.3381 179.1777 26 E 4.2007 8.4976 118.9180 59.4262 29.4055 179.3034 27 I 3.9716 8.2849 120.2305 64.4121 37.0009 178.3210 28 E 4.0649 8.3001 119.1663 59.4505 29.2700 179.2294 29 F 4.3287 8.6109 120.7402 61.6260 39.5242 177.0161 30 M 3.9851 8.6585 118.6862 58.4189 31.7330 178.7582 31 L 4.1614 7.9634 119.1094 57.9495 41.7279 179.3228 32 D 4.3239 7.8857 118.8195 57.3759 40.6561 178.6607 33 E 3.6835 7.9697 119.1777 59.2588 29.3691 179.4651 34 L 3.8667 7.9819 119.0922 57.5886 41.7388 179.4810 35 K 2.5085 7.8755 119.5452 58.7403 32.0789 178.7944 36 E 3.7504 7.9752 119.2123 59.1846 29.3215 179.1703 37 L 3.6034 7.7385 119.1294 58.0036 41.7691 178.8837 38 Y 3.8844 7.5396 119.1847 61.0775 38.2820 178.2830 39 M 3.6801 7.5407 118.6045 57.7229 32.0308 177.4149 40 N 4.4637 7.3150 113.9492 52.3358 38.9351 174.5807 41 H 3.9196 7.1451 115.9318 57.3333 26.7300 175.4534 42 M 4.4352 7.9695 118.3024 55.3822 32.7274 176.5836 43 I 4.8718 7.1815 111.0257 57.9438 41.0049 175.4415 44 E 4.4051 9.4795 122.7806 55.9732 31.2933 178.6002 45 K 4.0080 8.7747 120.4145 60.1067 32.5551 179.3048 46 E 3.9076 8.1628 119.3067 59.4190 29.4927 178.8007 47 Q 4.0267 8.2089 117.5365 58.8675 28.7947 178.9950 48 W 4.3314 8.4194 128.7825 60.5304 30.7925 177.7790 49 A 3.2338 8.0087 121.0455 54.9692 17.7217 179.6419 50 R 3.7130 8.1168 117.0750 59.4399 30.1631 178.6370 51 A 3.9630 8.3620 120.8544 55.0098 18.3320 179.4972 52 A 3.7762 7.8312 119.1718 55.0612 18.3474 179.7784 53 A 3.7990 7.7007 119.3357 55.2474 18.4758 179.9915 54 V 3.5675 7.9054 116.8493 66.1820 31.5652 178.3120 55 L 4.1637 8.0092 118.8141 57.7912 41.3762 179.6064 56 R 4.2325 8.2376 117.9858 58.5828 29.8912 178.9479 57 K 3.9745 7.9938 119.8147 59.2095 32.1554 178.6061 58 E 3.8839 8.1733 118.9287 59.4058 29.1550 179.1818 59 L 3.9383 8.1983 119.6299 58.0344 42.2177 178.3333 60 E 4.0734 7.7277 118.5012 59.0427 29.5974 178.4734 61 Q 4.1211 7.9136 118.0657 58.4487 28.9083 176.6854 62 T 4.2465 7.4986 114.1235 61.9236 69.2913 174.4154 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 L 8.17 4.73 0.00 1.88 1.76 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 2 N 9.31 4.61 0.00 2.82 2.88 0.00 0.00 6.71 6.83 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 3 T 7.91 4.81 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 4 F 8.99 4.33 0.00 3.29 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 5 Y 8.26 3.88 0.00 3.09 2.97 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 6 D 8.09 4.15 0.00 3.14 2.74 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 7 V 7.57 3.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 8 Q 7.34 3.73 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.49 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 9 Q 7.54 3.35 0.00 1.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 10 L 7.52 4.12 0.00 1.82 1.84 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.21 4.32 0.00 1.74 1.62 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.84 4.15 0.00 1.67 1.80 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.36 7.81 13 T 7.17 3.97 3.90 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 0.59 0.00 0.00 14 F 8.03 4.85 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 16 H 9.70 3.86 0.00 3.30 3.01 0.00 6.01 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 17 I 8.34 2.90 1.85 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 1.47 0.55 0.97 0.00 0.00 18 V 7.79 2.87 0.93 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 0.78 0.00 0.00 0.50 0.00 0.00 19 Y 8.35 3.69 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 20 F 9.80 5.03 0.00 3.00 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 21 G 9.87 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 0.00 0.00 0.00 22 D 8.21 4.36 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.05 4.15 0.00 1.96 1.93 0.00 2.92 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 24 E 8.27 3.98 0.00 2.29 2.22 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 2.39 2.62 0.00 25 L 8.36 4.23 0.00 2.06 1.98 0.97 0.92 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 26 E 8.50 4.20 0.00 2.28 1.96 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 1.96 2.65 0.00 27 I 8.28 3.97 2.09 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.90 1.03 0.00 0.00 28 E 8.30 4.06 0.00 2.42 2.13 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 2.61 2.64 0.00 29 F 8.61 4.33 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.66 3.99 0.00 2.11 2.38 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 2.94 2.65 0.00 31 L 7.96 4.16 0.00 2.00 1.85 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.89 4.32 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.68 0.00 1.84 1.74 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 1.66 2.12 0.00 34 L 7.98 3.87 0.00 2.24 2.14 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.88 2.51 0.00 1.59 1.75 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.24 1.18 7.81 36 E 7.98 3.75 0.00 1.99 1.78 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 2.19 2.36 0.00 37 L 7.74 3.60 0.00 1.51 1.26 0.42 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.54 3.88 0.00 2.48 2.29 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 39 M 7.54 3.68 0.00 1.82 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 40 N 7.31 4.46 0.00 2.63 2.70 0.00 0.00 7.06 8.07 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 41 H 7.15 3.92 0.00 3.25 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 7.97 4.44 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 43 I 7.18 4.87 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.89 0.00 0.00 44 E 9.48 4.41 0.00 2.29 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 0.00 2.39 2.49 0.00 45 K 8.77 4.01 0.00 2.01 2.32 0.00 1.55 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.57 7.81 46 E 8.16 3.91 0.00 2.11 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 0.00 2.42 2.47 0.00 47 Q 8.21 4.03 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 48 W 8.42 4.33 0.00 3.27 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 49 A 8.01 3.23 1.16 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 50 R 8.12 3.71 0.00 1.88 2.11 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 51 A 8.36 3.96 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 52 A 7.83 3.78 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 A 7.70 3.80 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 54 V 7.91 3.57 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 1.16 0.00 0.00 0.93 0.00 0.00 55 L 8.01 4.16 0.00 1.94 1.78 1.00 1.26 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 56 R 8.24 4.23 0.00 1.93 1.94 0.00 3.02 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 57 K 7.99 3.97 0.00 1.84 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 58 E 8.17 3.88 0.00 2.21 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 2.37 2.56 0.00 59 L 8.20 3.94 0.00 1.77 1.69 0.96 1.06 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 60 E 7.73 4.07 0.00 1.99 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 0.00 2.31 2.37 0.00 61 Q 7.91 4.12 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 62 T 7.50 4.25 4.19 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 0.00 0.00 1.10 0.00 0.00