NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1461 8.3101 121.7875 56.3817 34.0652 175.3691 20 A 4.2251 7.2373 114.7607 49.9607 19.6377 172.9636 21 K 4.3813 8.0070 120.8054 56.0844 34.3021 176.2198 22 V 3.5421 8.1025 123.4070 65.2642 31.1804 178.1758 23 K 4.0279 7.4765 117.8895 59.5735 32.1698 178.3127 24 A 4.1975 7.8823 119.2857 55.3446 18.5741 179.1837 25 T 3.8819 7.4673 112.3229 64.8645 68.8489 174.5424 26 L 4.7908 6.8064 119.7388 52.4382 44.5873 178.4442 27 G 4.1010 8.3883 115.3017 45.2276 0.0000 172.9893 28 E 4.1804 8.8287 125.4026 55.9046 30.3667 176.4061 29 F 4.7847 7.7880 118.9286 55.6885 40.6207 173.7225 30 D 4.4115 8.6863 123.7483 53.6866 39.8534 176.2939 31 L 4.4421 8.1185 125.7643 56.7429 40.7966 177.8736 32 R 4.1978 7.9873 119.4013 57.4010 30.5842 175.9246 33 D 4.3291 7.6635 116.8671 54.2070 41.7192 175.1665 34 Y 4.7549 7.3434 121.1024 56.8035 38.4478 176.1589 35 R 4.5447 7.8033 118.8634 56.8037 32.9790 176.5900 36 N 4.7444 7.3751 114.4447 52.1763 35.4544 176.3784 37 V 3.6527 7.7484 114.0399 65.2875 31.8144 178.0250 38 E 3.8787 8.0687 117.7233 59.3597 29.8398 178.4741 39 V 3.5829 7.7049 118.1052 66.2022 31.5304 177.8342 40 L 4.2453 7.9928 118.0295 57.8857 41.0527 179.3252 41 K 3.9247 8.4460 119.6903 59.4487 31.7968 178.6097 42 R 3.5470 7.9003 117.9247 58.5308 30.3079 177.6917 43 F 4.4545 8.4886 117.7259 59.1475 39.0603 176.8131 44 L 4.7762 7.7768 116.8164 53.1924 41.7881 178.1119 45 S 3.6765 7.8023 113.4628 59.2734 63.0388 171.9122 46 E 4.8158 7.9483 113.4037 56.0728 29.8889 176.6182 47 T 4.5790 7.7709 105.7247 61.1104 72.3112 175.2501 48 G 4.0085 7.9598 110.7684 45.1548 0.0000 174.2887 49 K 3.9227 7.4772 118.9649 56.4039 32.3504 176.0524 50 I 4.0867 8.2412 124.3523 61.1091 36.9344 175.7326 51 L 4.0991 8.2833 127.1035 54.5571 42.5617 175.9238 52 P 4.4720 0.0000 0.0000 62.5944 32.4757 177.2958 53 R 4.2499 8.5350 119.1900 58.6804 30.2092 177.7499 54 R 4.2761 7.9458 114.3623 56.6733 29.7000 176.6819 55 R 4.4923 7.8211 116.9101 57.9645 33.7346 177.6286 56 T 3.9660 8.1535 107.6705 62.4326 69.3275 174.8677 57 G 3.9570 7.9147 109.2703 46.5410 0.0000 173.1920 58 L 4.6411 7.7003 117.5648 52.7450 44.0013 177.0319 59 S 4.3977 8.5619 114.5751 57.5110 64.1962 174.7796 60 A 3.9676 8.4230 125.2360 55.2800 17.9933 179.6792 61 K 3.8620 8.0193 117.4306 59.6296 32.2412 178.7167 62 E 3.9918 8.0238 118.2997 59.5379 29.5848 178.7240 63 Q 3.9945 8.3724 119.9006 60.1034 28.8937 177.8342 64 R 4.0555 8.0196 119.8742 58.0788 29.9382 178.3611 65 I 3.6140 7.8156 113.2578 64.5459 37.4475 177.7439 66 L 3.7964 7.9261 122.1033 58.0228 41.8578 178.6258 67 A 3.9084 8.1103 120.6018 54.9506 18.4250 179.0700 68 K 3.7720 8.3213 118.8000 60.3452 32.1382 179.0410 69 T 3.9677 7.9098 109.2542 64.6521 68.6950 176.1562 70 I 3.6211 7.9074 123.0374 64.4346 37.2472 178.2201 71 K 3.7466 8.2610 119.1027 59.5067 31.6717 179.3136 72 R 3.7954 7.4707 116.3731 59.3636 30.4581 178.4693 73 A 4.1524 8.2278 120.4268 55.4513 18.3314 179.7615 74 R 4.5522 7.7080 117.7260 58.9748 29.7240 179.4123 75 I 4.0195 7.4118 118.7478 64.1102 36.9235 177.5766 76 L 4.3428 7.7297 117.3372 54.9088 41.2379 178.6549 77 G 4.0785 7.9466 108.5563 45.5108 0.0000 174.5653 78 L 3.9093 6.6044 118.0415 58.0400 42.2851 177.1830 79 L 4.1488 7.5371 118.1124 54.0367 42.6931 175.6310 80 P 4.9693 0.0000 0.0000 62.7012 32.2149 175.9578 81 F 4.4262 8.4126 116.6553 59.3464 40.4554 176.5800 82 T 4.7507 7.3103 112.3828 62.7115 71.9694 172.8403 83 E 4.8297 8.6517 121.6789 54.0057 32.7040 175.6817 84 K 3.9595 8.8428 120.6875 56.6876 32.9771 176.4357 85 L 3.9581 8.4722 125.8085 54.8979 42.1871 177.1992 86 V 3.8245 8.2654 119.5982 60.4971 32.2727 175.5475 87 R 3.7462 8.3963 120.0078 56.9609 30.0608 175.9904 88 K 4.1729 8.6149 122.9138 57.1273 32.9158 176.5020 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 19 K 8.31 4.15 0.00 1.71 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.24 4.23 1.21 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 0.00 0.00 0.00 21 K 8.01 4.38 0.00 1.78 1.76 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 22 V 8.10 3.54 1.93 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 -0.02 0.00 0.00 0.81 0.00 0.00 23 K 7.48 4.03 0.00 2.11 1.88 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.58 7.81 24 A 7.88 4.20 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 25 T 7.47 3.88 4.13 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 1.13 0.00 0.00 26 L 6.81 4.79 0.00 1.31 1.34 0.47 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 4.10 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 0.00 0.00 0.00 28 E 8.83 4.18 0.00 1.96 1.90 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 2.27 2.25 0.00 29 F 7.79 4.78 0.00 3.16 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 30 D 8.69 4.41 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 31 L 8.12 4.44 0.00 1.83 1.75 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.99 4.20 0.00 1.82 2.02 0.00 3.24 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 33 D 7.66 4.33 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.34 4.75 0.00 3.03 3.01 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 35 R 7.80 4.54 0.00 1.70 1.99 0.00 3.24 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 36 N 7.38 4.74 0.00 2.90 3.01 0.00 0.00 6.78 7.55 0.00 0.00 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 V 7.75 3.65 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 0.87 0.00 0.00 0.94 0.00 0.00 38 E 8.07 3.88 0.00 1.93 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 2.27 2.40 0.00 39 V 7.70 3.58 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 0.57 0.00 0.00 0.90 0.00 0.00 40 L 7.99 4.25 0.00 1.77 1.74 0.95 0.73 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 41 K 8.45 3.92 0.00 2.05 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 R 7.90 3.55 0.00 1.76 1.32 0.00 3.17 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 43 F 8.49 4.45 0.00 3.26 3.08 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 0.00 44 L 7.78 4.78 0.00 1.61 1.68 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.80 3.68 0.00 4.10 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 46 E 7.95 4.82 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 2.22 2.33 0.00 47 T 7.77 4.58 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 1.22 0.00 0.00 48 G 7.96 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 49 K 7.48 3.92 0.00 1.88 1.77 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 I 8.24 4.09 1.87 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 0.71 0.91 0.00 0.00 51 L 8.28 4.10 0.00 1.81 1.67 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.47 0.00 2.09 2.02 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 53 R 8.54 4.25 0.00 1.86 1.94 0.00 3.23 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 54 R 7.95 4.28 0.00 1.84 1.95 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 55 R 7.82 4.49 0.00 1.95 1.89 0.00 3.29 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 56 T 8.15 3.97 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 57 G 7.91 3.96 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 0.00 0.00 0.00 58 L 7.70 4.64 0.00 1.84 1.69 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.56 4.40 0.00 3.91 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 60 A 8.42 3.97 1.32 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 61 K 8.02 3.86 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.02 3.99 0.00 2.24 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 2.37 2.35 0.00 63 Q 8.37 3.99 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 64 R 8.02 4.06 0.00 2.00 1.83 0.00 3.20 0.00 0.00 3.21 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 65 I 7.82 3.61 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.68 0.90 0.00 0.00 66 L 7.93 3.80 0.00 1.75 1.77 0.29 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.11 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.32 3.77 0.00 1.97 1.96 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 69 T 7.91 3.97 4.35 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 1.37 0.00 0.00 70 I 7.91 3.62 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.71 0.84 0.00 0.00 71 K 8.26 3.75 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.63 7.81 72 R 7.47 3.80 0.00 1.91 1.75 0.00 3.20 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 73 A 8.23 4.15 1.45 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 0.00 0.00 74 R 7.71 4.55 0.00 1.35 0.90 0.00 2.88 0.00 0.00 2.74 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 75 I 7.41 4.02 2.05 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 1.67 0.73 0.93 0.00 0.00 76 L 7.73 4.34 0.00 1.83 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.95 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 0.00 0.00 0.00 0.00 78 L 6.60 3.91 0.00 1.71 1.65 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.15 0.00 1.72 1.49 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.97 0.00 2.06 2.05 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 81 F 8.41 4.43 0.00 2.98 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 82 T 7.31 4.75 4.31 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 1.25 0.00 0.00 83 E 8.65 4.83 0.00 1.92 1.89 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 2.24 2.27 0.00 84 K 8.84 3.96 0.00 1.67 1.82 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 85 L 8.47 3.96 0.00 1.59 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.27 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 8.40 3.75 0.00 1.76 1.89 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 88 K 8.61 4.17 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.43 7.81