NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3938 8.2531 123.5848 53.2483 20.3693 178.0841 2 G 3.7741 9.7945 111.2224 46.1076 0.0000 170.3568 3 C 4.7239 8.8898 113.1037 54.5635 38.2688 173.9166 4 N 4.1204 8.1080 119.4193 55.6742 39.5237 177.1660 5 A 3.8955 7.9933 119.4910 54.0139 18.7022 178.0339 6 G 3.7877 7.8215 103.3991 47.6518 0.0000 175.7440 7 Q 4.0098 7.6017 121.9966 58.3966 29.2141 177.3926 8 L 3.9747 7.7439 121.1490 58.9074 41.7458 179.2363 9 T 3.9789 7.7769 115.4968 66.4465 68.5546 175.8095 10 V 3.8265 7.8542 119.8740 66.1007 31.6555 177.4753 11 C 4.6172 7.8812 111.7001 58.1149 38.5943 175.6574 12 T 3.8354 8.1906 120.0684 66.2685 67.7069 176.4683 13 G 3.8037 7.7500 107.5133 48.0145 0.0000 175.2984 14 A 4.5761 8.0457 124.1531 54.7613 18.6961 179.6149 15 I 3.9069 7.8009 116.2861 62.7682 37.0395 177.2428 16 A 4.3904 7.8348 122.3257 51.2788 19.6626 176.5888 17 G 3.7885 7.9732 104.9603 45.8996 0.0000 175.0423 18 G 5.0591 7.9311 115.0812 46.3533 0.0000 171.9910 19 A 4.0982 7.9681 124.4228 52.5040 16.8275 177.3591 20 R 4.4726 7.8779 117.3866 57.9358 32.5329 177.1719 21 P 4.3851 0.0000 0.0000 65.5253 32.0538 178.0670 22 T 3.9290 7.9091 114.4701 64.6163 68.2081 175.7097 23 A 3.9514 8.0633 124.6834 55.2087 18.2963 179.6913 24 A 3.9868 7.6356 118.9814 55.2879 18.3507 178.9095 25 C 4.1865 8.1629 116.6221 60.3535 44.0880 175.6333 26 C 3.9105 8.8151 117.9453 60.7746 39.6032 176.2284 27 S 3.9678 7.8334 115.3650 61.8855 62.8216 176.6371 28 S 4.2799 7.9508 118.5564 61.5781 62.4981 176.6279 29 L 4.7661 8.1387 123.3357 57.3038 41.0921 179.4817 30 R 3.8300 7.8535 117.3855 58.6459 30.0461 177.6840 31 A 4.4147 7.6049 118.8033 53.2122 19.0709 177.2923 32 Q 4.5884 8.2710 118.5444 55.0267 30.2724 176.5865 33 Q 4.3042 8.5905 119.4822 58.4279 28.6739 177.8151 34 G 3.8260 8.3181 106.8622 48.1612 0.0000 174.1336 35 C 4.5130 8.2081 115.5158 57.3670 42.7122 175.4975 36 F 4.0171 8.4905 120.3213 59.7318 38.2198 176.2837 37 C 4.4202 7.9187 117.9730 59.6921 44.7789 174.9385 38 Q 4.0250 8.4329 121.6588 58.8330 28.5532 177.5577 39 F 4.3200 8.3622 121.1868 61.4632 39.2853 176.7658 40 A 3.7801 8.3591 119.0158 54.4085 18.2254 178.9321 41 K 3.9859 7.8446 115.3399 56.3834 32.4822 176.4188 42 D 3.8767 7.5980 118.7442 54.2900 39.0508 173.5846 43 P 4.4135 0.0000 0.0000 65.7174 31.7612 177.3858 44 R 4.7120 7.8029 112.9814 55.2300 33.8151 175.9472 45 Y 4.1758 8.4918 117.5587 60.1137 37.5650 178.7814 46 G 3.6937 8.2271 106.8976 47.0302 0.0000 174.5161 47 R 4.0836 7.7278 118.5095 58.4778 29.8661 176.4594 48 Y 4.2311 7.1386 118.2638 58.1152 39.3373 176.3309 49 V 3.2331 7.9778 122.2919 66.0142 31.9638 177.5950 50 N 4.5004 7.0710 124.2053 52.0588 37.1684 174.4735 51 S 4.5329 7.1094 118.3543 58.6854 69.0377 174.4404 52 P 4.3718 0.0000 0.0000 65.1013 32.5274 177.5669 53 N 4.7528 7.7814 112.7629 53.8246 42.0039 176.1603 54 A 4.2305 8.0304 120.4222 55.2831 18.6122 180.0488 55 R 3.8186 7.5641 112.9194 59.0361 30.1116 177.5240 56 K 4.4484 7.8433 113.0117 56.3048 33.7397 177.0732 57 A 4.6878 7.9336 121.0151 51.4277 20.6128 177.2693 58 V 3.7319 7.5621 121.2185 63.6644 34.1820 176.0253 59 S 4.5985 8.6226 111.2600 56.5106 58.5684 171.6640 60 S 4.7447 9.3302 119.2610 59.4019 59.2540 168.6748 61 C 4.1591 7.8185 120.7910 58.4340 43.8893 174.2417 62 G 3.7569 8.3822 106.5156 45.2428 0.0000 173.8530 63 I 3.9484 7.9007 117.9104 61.5801 37.6107 175.0455 64 A 4.2407 9.0726 129.8400 51.0667 16.8494 175.8535 65 L 3.5582 7.5947 116.3840 54.8401 37.3372 174.1600 66 P 4.6664 0.0000 0.0000 62.5593 31.1549 177.5115 67 T 4.3119 8.0642 115.2713 65.6848 68.9676 173.0833 68 C 4.6647 8.6359 124.7228 56.9778 44.1271 173.0264 69 H 4.4297 8.0664 119.1741 55.6924 28.1942 174.9166 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 A 8.25 4.39 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 2 G 9.79 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 0.00 0.00 0.00 3 C 8.89 4.72 0.00 2.86 3.10 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 0.00 0.00 0.00 0.00 4 N 8.11 4.12 0.00 2.70 2.68 0.00 0.00 6.10 6.63 0.00 0.00 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 A 7.99 3.90 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 6 G 7.82 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 0.00 0.00 0.00 7 Q 7.60 4.01 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 8 L 7.74 3.97 0.00 1.63 1.78 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 3.98 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 1.21 0.00 0.00 10 V 7.85 3.83 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 1.04 0.00 0.00 0.94 0.00 0.00 11 C 7.88 4.62 0.00 3.18 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 12 T 8.19 3.84 4.30 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 1.27 0.00 0.00 13 G 7.75 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 14 A 8.05 4.58 1.38 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 0.00 0.00 0.00 15 I 7.80 3.91 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.18 0.89 0.00 0.00 16 A 7.83 4.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 0.00 0.00 0.00 18 G 7.93 5.06 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 0.00 0.00 0.00 19 A 7.97 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 4.47 0.00 1.86 1.87 0.00 3.13 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 21 P 0.00 4.39 0.00 2.22 2.31 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 22 T 7.91 3.93 4.24 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 0.00 0.00 0.00 1.26 0.00 0.00 23 A 8.06 3.95 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 24 A 7.64 3.99 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 25 C 8.16 4.19 0.00 3.01 3.24 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 0.00 0.00 0.00 0.00 26 C 8.82 3.91 0.00 3.15 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 27 S 7.83 3.97 0.00 4.05 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 28 S 7.95 4.28 0.00 4.07 3.99 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 0.00 0.00 0.00 29 L 8.14 4.77 0.00 1.69 1.16 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.85 3.83 0.00 1.78 2.06 0.00 3.23 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 31 A 7.60 4.41 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 32 Q 8.27 4.59 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.33 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 8.59 4.30 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 34 G 8.32 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 0.00 0.00 0.00 35 C 8.21 4.51 0.00 3.07 3.32 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 36 F 8.49 4.02 0.00 3.44 3.19 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 0.00 37 C 7.92 4.42 0.00 3.03 3.33 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 0.00 0.00 0.00 0.00 38 Q 8.43 4.03 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 39 F 8.36 4.32 0.00 3.19 3.46 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 40 A 8.36 3.78 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 41 K 7.84 3.99 0.00 1.90 1.81 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.68 7.81 42 D 7.60 3.88 0.00 2.52 2.44 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 43 P 0.00 4.41 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 44 R 7.80 4.71 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 45 Y 8.49 4.18 0.00 2.40 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 46 G 8.23 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.08 0.00 2.03 2.04 0.00 3.20 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 48 Y 7.14 4.23 0.00 2.96 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 49 V 7.98 3.23 0.92 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 0.33 0.00 0.00 0.64 0.00 0.00 50 N 7.07 4.50 0.00 2.77 2.67 0.00 0.00 6.53 7.50 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 51 S 7.11 4.53 0.00 3.69 3.54 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 52 P 0.00 4.37 0.00 2.12 2.12 0.00 3.49 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 53 N 7.78 4.75 0.00 2.77 2.82 0.00 0.00 6.61 7.16 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 54 A 8.03 4.23 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 55 R 7.56 3.82 0.00 1.78 1.99 0.00 3.14 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 56 K 7.84 4.45 0.00 1.69 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.33 7.81 57 A 7.93 4.69 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.56 3.73 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 0.89 0.00 0.00 0.96 0.00 0.00 59 S 8.62 4.60 0.00 3.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.33 4.74 0.00 3.88 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 0.00 61 C 7.82 4.16 0.00 2.94 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 62 G 8.38 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.90 3.95 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.06 0.66 0.00 0.00 64 A 9.07 4.24 1.38 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 0.00 0.00 0.00 65 L 7.59 3.56 0.00 2.00 1.90 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.67 0.00 1.75 1.97 0.00 3.59 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.57 0.00 67 T 8.06 4.31 4.65 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 1.29 0.00 0.00 68 C 8.64 4.66 0.00 3.00 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 69 H 8.07 4.43 0.00 3.32 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00