NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3057 8.2493 123.5814 50.9616 19.2239 176.5665 7 P 4.3136 0.0000 0.0000 61.3028 31.8755 175.4972 8 D 4.7696 8.7048 122.9199 52.1803 44.0136 177.4939 9 F 4.0196 8.7166 119.6074 62.3333 39.1590 177.1892 10 H 4.5025 8.1043 115.1680 58.9646 28.1747 177.4521 11 D 4.3075 8.6325 120.9106 57.1917 40.4336 179.0422 12 K 3.6143 7.5683 117.7956 58.8762 32.2932 178.2288 13 Y 4.7258 7.7038 114.5386 57.1134 39.1401 177.7948 14 G 4.0182 8.1373 108.4108 48.3403 0.0000 175.3381 15 N 4.3528 8.2237 118.6032 55.7090 38.5565 177.3208 16 A 3.9852 7.9253 121.5614 55.1640 18.6825 179.5342 17 V 3.5888 8.0201 116.9608 66.0628 31.4757 177.9471 18 L 3.9491 8.1735 119.6527 58.1070 42.1485 178.6850 19 A 4.0171 8.0314 120.7978 55.4158 18.3675 179.8671 20 S 4.3130 8.6823 113.2347 61.1786 63.1471 176.9217 21 G 3.6363 8.3209 109.2940 47.8047 0.0000 175.6342 22 A 4.1093 8.3575 124.1506 54.9633 18.3850 179.9534 23 T 3.8681 7.9702 114.0189 66.6495 68.4767 176.7971 24 F 4.2760 8.5562 122.7180 61.4582 39.4891 176.4042 25 C 3.9563 8.2879 118.2593 62.7820 31.3837 175.7094 26 V 3.6463 7.8693 119.3180 65.8968 31.0649 177.8221 27 A 4.0088 8.0068 120.5937 55.3250 18.3290 180.1349 28 V 3.6077 7.8943 117.6854 64.5049 31.3137 178.6117 29 W 3.9351 8.3181 119.9095 59.4743 28.9209 178.6733 30 V 3.6627 8.0932 118.3744 65.9643 30.9177 177.4500 31 Y 4.0159 8.1616 119.3116 61.0074 38.5030 177.6643 32 M 3.8452 8.0705 117.4566 58.7108 32.3636 177.7769 33 A 4.7154 8.3990 120.3221 54.4535 18.6714 178.5940 34 T 4.5953 7.9271 105.2991 61.4833 70.4337 174.7648 35 Q 4.4124 8.0836 119.3166 55.5628 29.5410 175.7224 36 I 4.2044 7.6393 110.0190 60.3725 37.9760 176.0061 37 G 3.8216 8.2893 107.4554 45.9433 0.0000 173.6404 38 I 3.5072 7.3610 120.2525 60.5056 37.4696 175.1576 39 E 4.2658 8.2126 126.5883 54.6207 29.3824 175.6063 40 W 4.2258 8.6956 126.9564 57.1826 30.2120 176.0063 41 N 4.1129 8.0600 115.7857 53.9146 36.6536 170.9269 42 P 4.5918 0.0000 0.0000 61.7180 33.0316 176.7740 43 S 4.2040 8.3614 113.4542 58.0140 62.7296 172.6079 44 P 4.3495 0.0000 0.0000 64.6369 31.2506 176.6657 45 V 3.6394 7.5678 118.9589 64.3689 31.4746 177.1307 46 G 4.0705 9.0161 114.6646 45.7369 0.0000 173.7461 47 R 4.4588 7.5367 113.4390 55.7932 31.5170 176.0999 48 V 4.2121 7.9162 118.0785 61.1264 32.9709 175.0719 49 T 4.3396 8.2856 123.7581 61.4191 68.4531 173.0267 50 P 4.3148 0.0000 0.0000 62.6721 31.8791 175.9055 51 K 4.6570 8.3592 123.1796 53.9087 34.7556 175.3973 52 E 4.0407 8.8737 124.6704 56.7898 29.8256 176.7683 53 W 4.6389 8.0629 119.4774 57.2172 30.4406 175.5638 54 R 3.2906 6.2287 122.3364 55.9996 29.2737 175.7229 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 6 A 8.25 4.31 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 7 P 0.00 4.31 0.00 2.19 2.03 0.00 3.34 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 8 D 8.70 4.77 0.00 2.97 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 9 F 8.72 4.02 0.00 3.23 2.94 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 H 8.10 4.50 0.00 3.39 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.63 4.31 0.00 2.74 2.65 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 12 K 7.57 3.61 0.00 0.79 0.74 0.00 1.14 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.39 7.81 13 Y 7.70 4.73 0.00 2.25 2.66 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 14 G 8.14 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 15 N 8.22 4.35 0.00 2.74 2.89 0.00 0.00 6.91 7.39 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 16 A 7.93 3.99 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 17 V 8.02 3.59 2.33 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 1.09 0.00 0.00 1.17 0.00 0.00 18 L 8.17 3.95 0.00 1.93 1.84 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.03 4.02 1.37 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 0.00 0.00 20 S 8.68 4.31 0.00 4.04 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 21 G 8.32 3.64 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 0.00 0.00 0.00 22 A 8.36 4.11 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 23 T 7.97 3.87 4.50 0.00 0.00 0.00 0.00 0.00 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 24 F 8.56 4.28 0.00 3.12 3.36 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 25 C 8.29 3.96 0.00 3.25 3.11 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 0.00 0.00 0.00 0.00 26 V 7.87 3.65 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 0.99 0.00 0.00 0.96 0.00 0.00 27 A 8.01 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.89 3.61 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 0.26 0.00 0.00 0.74 0.00 0.00 29 W 8.32 3.94 0.00 3.54 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 30 V 8.09 3.66 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.16 4.02 0.00 3.12 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 32 M 8.07 3.85 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 33 A 8.40 4.72 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 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 35 Q 8.08 4.41 0.00 1.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.11 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 36 I 7.64 4.20 1.77 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 1.34 0.54 0.60 0.00 0.00 37 G 8.29 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.36 3.51 1.56 0.00 0.00 0.67 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 0.39 -0.30 0.00 0.00 39 E 8.21 4.27 0.00 1.81 1.75 0.00 0.00 0.00 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 2.34 0.00 40 W 8.70 4.23 0.00 3.34 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 41 N 8.06 4.11 0.00 2.80 2.84 0.00 0.00 7.20 8.36 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 42 P 0.00 4.59 0.00 2.24 2.10 0.00 3.90 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 2.03 2.01 0.00 43 S 8.36 4.20 0.00 3.86 3.82 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 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.22 2.08 0.00 3.67 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 2.11 2.07 0.00 45 V 7.57 3.64 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 0.94 0.00 0.00 0.93 0.00 0.00 46 G 9.02 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 47 R 7.54 4.46 0.00 1.92 2.02 0.00 3.06 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 48 V 7.92 4.21 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 0.82 0.00 0.00 0.94 0.00 0.00 49 T 8.29 4.34 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 50 P 0.00 4.31 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.36 4.66 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.44 7.81 52 E 8.87 4.04 0.00 1.96 1.79 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 2.31 2.22 0.00 53 W 8.06 4.64 0.00 3.54 3.18 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 0.00 0.00 0.00 0.00 54 R 6.23 3.29 0.00 0.67 0.79 0.00 2.87 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.15 0.00