NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2477 8.3044 118.1616 55.1352 32.4484 174.4489 2 D 4.4979 8.0934 120.1952 51.5316 43.2580 174.2862 3 W 4.5407 9.3518 122.9944 57.2180 30.6806 175.3121 4 E 4.8424 9.2526 121.7091 54.6991 33.7241 174.9451 5 E 4.8261 8.9742 122.7870 56.0442 29.4005 176.0752 6 R 4.0358 9.2227 125.4598 57.2898 31.6813 176.1158 *10 K 4.5570 7.7217 118.8089 56.2227 33.2671 174.7911 11 R 5.2412 8.9981 123.6733 54.5108 33.8372 173.7950 12 L 5.1800 9.3799 123.3371 54.1146 43.5127 175.4053 13 V 5.4376 9.2594 126.5843 61.4549 35.3013 174.0759 14 K 4.5942 8.7733 125.8975 55.2770 35.7055 174.2681 15 T 5.0502 7.9960 116.4632 59.9876 71.2555 173.4333 16 F 4.5444 9.4202 122.5609 55.5770 41.9971 174.2408 17 A 4.8903 8.1294 124.9840 51.0633 20.5004 176.0935 18 F 4.8357 8.8024 118.6055 55.0972 43.6316 174.1797 19 P 4.4634 0.0000 0.0000 64.8282 32.1185 175.4778 20 N 3.1400 7.0808 114.7863 50.7263 39.2387 173.8553 21 F 3.8147 7.5153 117.7706 61.2306 39.6317 178.0690 22 R 3.8961 7.9620 117.9303 59.9114 29.7929 178.1899 23 E 3.9380 8.9285 117.9934 58.9873 29.3432 179.3034 24 A 2.5800 7.0839 120.4697 54.4946 18.4938 179.2595 25 L 3.6056 7.5210 119.1259 58.1198 41.9484 178.8063 26 D 4.2691 7.9824 118.9976 57.3698 40.7919 178.6510 27 F 4.1042 7.8939 120.7871 61.1517 39.2995 176.9139 28 A 3.7221 7.9022 120.4283 55.2704 18.1183 179.4081 29 N 4.1970 8.0795 114.8503 56.3773 38.5276 177.9392 30 R 3.8681 7.4815 119.7095 59.0785 30.0460 179.2197 31 V 3.5876 7.5068 118.2856 65.6952 31.4385 178.3587 32 G 3.5126 8.1114 105.5836 47.6639 0.0000 175.5800 33 A 4.0026 8.0159 123.2434 54.6615 18.3756 179.4511 34 L 3.8287 7.9499 118.6919 58.2766 42.2091 179.0055 35 A 4.2949 8.1587 122.1478 54.7549 18.4490 179.4720 36 E 3.9577 8.2375 116.9896 59.6395 29.2915 179.8719 37 R 4.0417 7.8033 117.2032 58.7444 30.2601 178.0156 38 E 4.2882 8.0096 115.1969 55.2092 29.9891 175.7551 39 N 4.2262 7.6915 114.2139 53.9404 36.8770 173.8183 40 H 4.8214 8.0363 116.3919 55.0772 32.8939 171.4593 41 H 4.9248 8.6843 123.8685 53.4427 30.8974 172.3391 42 P 4.2382 0.0000 0.0000 61.5193 33.7980 174.1477 43 R 4.4524 8.2532 119.8159 54.6528 31.8223 174.5418 44 L 5.2007 8.4644 126.1353 53.2534 44.2388 175.9389 45 T 4.5681 8.8950 120.0791 61.8435 71.2601 173.0241 46 V 4.8381 8.4548 126.8685 60.9946 33.7073 174.4328 47 E 4.9891 8.9070 124.3546 54.2848 32.8740 173.9379 48 W 4.3945 9.1905 128.9142 59.1651 30.8005 175.7957 49 G 4.2246 9.1443 113.1866 45.8302 0.0000 172.2888 50 R 5.2635 7.7827 118.3844 55.1723 34.3191 173.7325 51 V 5.0277 9.1751 124.9392 61.5497 34.7873 174.0228 52 T 5.1334 9.1247 125.0227 61.9421 71.0580 173.5513 53 V 4.6183 9.0146 126.3594 61.0896 34.4486 173.9478 54 E 5.4781 8.8512 126.8848 54.4246 33.0547 174.8017 55 W 5.3561 9.5312 124.5955 54.7472 32.2913 174.6777 56 W 5.4841 8.5905 119.7327 56.2288 30.7906 173.8077 57 T 4.4738 9.1270 117.9364 62.2530 69.6987 174.7465 58 H 4.4301 9.2964 127.4607 59.4177 30.0157 177.2706 59 S 4.0766 8.3071 111.6093 61.1103 62.6833 175.0096 60 A 4.1884 7.8577 122.1326 51.9479 18.7273 177.3573 61 G 3.9827 8.0647 103.7325 45.8926 0.0000 174.4195 62 G 4.2658 7.3950 107.0471 44.9233 0.0000 172.1636 63 V 4.4969 8.5701 120.4313 62.2236 32.7325 176.7837 64 T 4.7204 8.9039 117.2866 59.2372 72.9172 174.4644 65 E 3.8690 8.5506 120.0018 59.3227 29.3678 178.3883 66 K 3.7614 7.5642 118.7575 59.4737 32.1747 178.5390 67 D 4.1162 7.8622 118.6787 57.3910 40.8334 178.8301 68 R 3.6660 7.7180 118.1277 58.8619 29.9266 178.7574 69 E 3.7310 7.9457 119.2549 59.5160 29.6090 178.8129 70 M 3.4128 7.5947 118.5739 57.8263 31.6337 178.6360 71 A 3.0921 7.0394 120.8554 54.8700 18.3286 179.9573 72 R 3.9417 7.6032 116.5444 59.3994 29.8901 179.3670 73 L 4.0773 7.7802 117.9678 57.7407 41.9071 179.4652 74 T 4.1938 8.0890 116.0915 66.9129 68.5513 176.4941 75 D 4.7957 8.7243 120.6428 57.4703 40.8918 178.6712 76 A 4.1320 8.3211 121.2853 55.1107 18.0793 179.5667 77 L 4.0940 7.6991 116.3356 57.8512 41.7047 179.2512 78 L 4.1727 8.1560 118.0264 55.1686 42.9221 176.9398 79 Q 3.2916 7.8459 116.7123 57.0078 26.6241 174.1692 80 R 4.1310 7.6629 118.8160 56.5353 30.1504 177.2998 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 M 8.30 4.25 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 2 D 8.09 4.50 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.35 4.54 0.00 3.30 3.29 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 4 E 9.25 4.84 0.00 1.90 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 2.43 2.41 0.00 5 E 8.97 4.83 0.00 1.90 1.98 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 2.37 2.42 0.00 6 R 9.22 4.04 0.00 1.86 1.96 0.00 3.18 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 *10 K 7.72 4.56 0.00 1.88 1.89 0.00 1.57 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.55 7.81 11 R 9.00 5.24 0.00 2.11 1.76 0.00 2.85 0.00 0.00 2.69 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 12 L 9.38 5.18 0.00 1.95 2.00 1.17 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 V 9.26 5.44 2.19 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 1.01 0.00 0.00 1.13 0.00 0.00 14 K 8.77 4.59 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.50 7.81 15 T 8.00 5.05 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 1.18 0.00 0.00 16 F 9.42 4.54 0.00 2.97 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 17 A 8.13 4.89 1.04 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 0.00 0.00 18 F 8.80 4.84 0.00 2.83 2.77 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 19 P 0.00 4.46 0.00 2.18 2.18 0.00 3.99 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 1.95 2.00 0.00 20 N 7.08 3.14 0.00 2.09 2.53 0.00 0.00 5.89 8.12 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 21 F 7.52 3.81 0.00 3.29 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 22 R 7.96 3.90 0.00 1.99 2.02 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 23 E 8.93 3.94 0.00 1.97 1.97 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 2.30 2.43 0.00 24 A 7.08 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.52 3.61 0.00 1.33 1.66 0.84 1.53 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 26 D 7.98 4.27 0.00 2.78 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 27 F 7.89 4.10 0.00 2.86 2.78 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 0.00 0.00 0.00 28 A 7.90 3.72 1.22 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 0.00 0.00 0.00 0.00 0.00 29 N 8.08 4.20 0.00 2.84 2.81 0.00 0.00 7.02 6.99 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 30 R 7.48 3.87 0.00 1.70 1.86 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 31 V 7.51 3.59 1.91 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 1.05 0.00 0.00 0.15 0.00 0.00 32 G 8.11 3.51 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 0.00 33 A 8.02 4.00 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 34 L 7.95 3.83 0.00 1.77 1.91 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.16 4.29 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 36 E 8.24 3.96 0.00 2.18 2.02 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 2.58 2.50 0.00 37 R 7.80 4.04 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 38 E 8.01 4.29 0.00 1.86 1.87 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 2.37 2.34 0.00 39 N 7.69 4.23 0.00 2.92 2.90 0.00 0.00 6.61 8.04 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 40 H 8.04 4.82 0.00 3.08 3.03 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.68 4.92 0.00 3.02 3.10 0.00 5.94 0.00 0.00 0.00 0.00 6.76 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 4.24 0.00 1.15 0.49 0.00 3.58 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 0.00 43 R 8.25 4.45 0.00 2.00 2.02 0.00 3.18 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 44 L 8.46 5.20 0.00 1.47 1.48 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.89 4.57 4.29 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 1.26 0.00 0.00 46 V 8.45 4.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.82 0.00 0.00 47 E 8.91 4.99 0.00 2.35 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 0.00 2.40 2.37 0.00 48 W 9.19 4.39 0.00 3.64 3.21 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 49 G 9.14 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.78 5.26 0.00 1.96 1.81 0.00 3.05 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 51 V 9.18 5.03 2.52 0.00 0.00 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 0.91 0.00 0.00 52 T 9.12 5.13 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 53 V 9.01 4.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.14 0.00 0.00 54 E 8.85 5.48 0.00 2.21 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 0.00 2.36 2.37 0.00 55 W 9.53 5.36 0.00 3.26 3.21 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 56 W 8.59 5.48 0.00 3.53 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 57 T 9.13 4.47 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 1.27 0.00 0.00 58 H 9.30 4.43 0.00 3.30 3.40 0.00 5.88 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.31 4.08 0.00 4.04 4.04 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 60 A 7.86 4.19 1.33 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 0.00 0.00 61 G 8.06 3.98 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 0.00 0.00 0.00 62 G 7.39 4.27 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 0.00 63 V 8.57 4.50 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 0.92 0.00 0.00 1.08 0.00 0.00 64 T 8.90 4.72 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 1.24 0.00 0.00 65 E 8.55 3.87 0.00 2.06 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 0.00 2.33 2.36 0.00 66 K 7.56 3.76 0.00 1.87 1.57 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.11 1.17 7.81 67 D 7.86 4.12 0.00 2.91 2.78 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 0.00 0.00 0.00 68 R 7.72 3.67 0.00 1.92 1.85 0.00 3.08 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 69 E 7.95 3.73 0.00 1.87 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 2.11 2.21 0.00 70 M 7.59 3.41 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.38 0.00 71 A 7.04 3.09 -0.19 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 0.00 0.00 72 R 7.60 3.94 0.00 1.92 1.96 0.00 3.10 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 1.63 1.72 0.00 73 L 7.78 4.08 0.00 1.60 1.68 0.79 0.73 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 74 T 8.09 4.19 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 1.65 0.00 0.00 75 D 8.72 4.80 0.00 3.13 2.96 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 76 A 8.32 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.70 4.09 0.00 2.03 1.91 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.16 4.17 0.00 1.82 1.78 1.13 0.61 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 Q 7.85 3.29 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 80 R 7.66 4.13 0.00 1.83 1.85 0.00 3.25 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.