NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8667 8.3549 109.7364 45.1188 0.0000 174.0363 2 R 4.1594 8.1805 120.8111 54.0650 31.0717 173.7847 3 Q 4.5221 8.9686 124.4986 53.5168 33.2185 173.9622 4 F 4.2193 8.5915 122.8012 58.7959 39.3510 175.2945 5 G 4.1459 9.2162 112.8110 46.1529 0.0000 173.9289 6 H 5.0268 8.1650 115.2812 55.6821 30.2256 174.9743 7 L 4.0714 8.0233 119.8474 56.6208 41.8877 177.1333 8 T 4.3272 7.2055 109.3522 61.6400 70.1280 171.7313 9 R 4.5069 8.3442 122.8403 54.6056 31.1964 175.4887 10 V 4.4812 8.1304 123.6783 61.1440 34.5699 174.5178 11 R 4.4718 7.9053 124.4022 55.8261 33.6194 174.3920 12 H 4.1157 8.7018 116.5688 56.9887 26.0663 174.5706 13 V 4.3375 7.8863 118.2494 61.0232 33.2296 174.4357 14 I 4.3450 8.1985 127.5278 59.6486 39.1428 175.0279 15 T 4.4634 7.9683 120.2793 61.7827 71.2710 172.8243 16 Y 4.7853 8.5036 123.4815 56.3204 40.2244 175.2819 17 S 4.7868 8.4615 118.7142 56.8996 67.2132 173.1711 18 L 4.8243 8.0818 121.5425 52.5776 44.4697 176.7562 19 S 4.3173 8.3818 116.2041 57.4743 63.1582 173.5471 20 P 4.2353 0.0000 0.0000 65.3935 31.1782 178.1103 21 F 4.3722 7.8956 116.6450 59.1788 39.0151 175.9690 22 E 4.4182 8.0970 119.0402 56.4781 29.9200 175.4477 23 Q 4.7128 7.3086 114.2892 53.7421 31.6844 175.0836 24 R 4.2011 8.2462 116.9049 55.7606 30.8522 177.0764 25 A 3.9978 8.4211 123.6956 53.6422 19.5563 177.6430 26 F 4.8939 7.6274 113.2569 55.7762 39.5061 173.9809 27 P 4.2481 0.0000 0.0000 64.4896 32.4892 176.6510 28 H 4.2852 8.8040 119.4596 55.1643 26.8196 175.8239 29 Y 4.0619 8.1907 121.2111 61.0049 39.2672 178.0320 30 F 4.3404 8.1735 117.5119 60.0076 39.8220 178.1240 31 S 4.2461 8.4510 114.8678 60.6197 62.8478 175.8654 32 K 4.3467 8.3202 119.0941 56.7443 34.2113 178.7600 33 G 3.8533 7.9437 106.9071 47.1207 0.0000 175.6293 34 I 3.6833 7.5139 121.9916 63.7916 37.2335 176.6402 35 P 4.2963 0.0000 0.0000 65.8078 31.0522 178.1551 36 N 4.3564 8.0331 115.4872 56.3463 38.7969 177.3114 37 V 3.5517 7.8965 120.0056 65.8495 31.5718 177.9562 38 L 3.9827 8.3090 119.2242 57.7487 41.3982 179.5534 39 R 3.8525 8.0544 118.4548 59.5540 29.9412 178.7335 40 R 3.9095 8.1336 117.9340 59.5389 30.0699 179.1514 41 T 3.8998 8.3075 115.8331 66.7905 68.2615 176.8813 42 R 3.9215 8.0310 118.4918 59.2701 30.1838 178.7357 43 A 4.1304 8.1413 119.7716 54.5511 18.6140 178.4671 44 C 4.4636 7.8280 112.0367 59.4524 30.7709 176.0500 45 I 3.6829 7.7186 122.7806 64.7390 36.5683 177.8755 46 L 4.1491 7.9173 116.7331 56.8729 41.5601 178.6873 47 R 4.2975 8.1422 117.7503 57.8687 30.6949 178.5279 48 V 3.9087 7.6562 116.4376 65.6984 32.2056 177.4760 49 A 4.3294 8.1603 120.4105 54.7884 18.2257 177.4296 50 P 4.2153 0.0000 0.0000 65.7172 31.3973 176.7218 51 P 4.1939 0.0000 0.0000 65.8065 31.1574 178.6575 52 F 4.3939 7.9275 115.8231 60.1574 38.8256 177.9143 53 V 3.7789 8.0406 118.2158 65.7847 31.3456 177.8375 54 A 4.0371 8.5078 121.0581 55.1843 18.1815 179.2421 55 F 4.1333 8.5072 119.1769 61.7165 39.3922 176.6035 56 Y 3.8888 8.4138 119.0518 60.6547 38.4973 178.2116 57 L 3.9509 8.3995 120.0868 57.8888 41.7236 179.6561 58 V 3.6429 8.1939 118.6001 65.9905 31.4031 177.3875 59 Y 3.7873 8.1687 119.9333 60.8106 38.6247 178.2535 60 T 3.3835 7.7867 111.0718 64.2036 68.7621 176.2730 61 W 4.0244 8.4401 131.8153 60.0706 30.7733 178.1969 62 G 3.2769 8.4493 105.9526 47.9505 0.0000 175.7826 63 T 3.7049 7.3857 118.2067 66.2772 68.3084 176.8218 64 Q 3.7820 7.7161 119.8179 58.9752 28.8927 178.4326 65 E 3.5260 7.6214 120.3453 58.9526 29.1265 178.7907 66 F 4.0827 7.5958 120.0391 61.1347 39.7096 176.7574 67 E 3.7441 7.9495 118.0992 59.2613 29.3995 179.2311 68 K 3.7585 8.0232 118.9763 59.6585 31.9786 179.3173 69 S 4.2034 7.5351 111.6644 60.2183 62.9331 175.4238 70 K 4.2511 7.5281 121.4131 56.4135 32.3198 175.5232 71 R 4.5353 7.0074 115.4573 55.3849 32.3025 177.7809 72 K 4.6828 6.9185 112.8635 57.7685 27.6986 174.3204 73 N 4.7761 7.7086 120.9202 49.7078 36.6752 172.5265 74 P 4.2045 0.0000 0.0000 63.7586 31.4660 176.6269 75 A 4.4168 8.0785 125.3497 50.1564 22.0557 175.4079 *76 A 4.1172 8.6347 124.3250 52.4297 18.9464 176.3464 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 G 8.35 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.18 4.16 0.00 1.79 1.78 0.00 3.11 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 3 Q 8.97 4.52 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 4 F 8.59 4.22 0.00 3.09 2.95 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 0.00 0.00 0.00 5 G 9.22 4.15 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 0.00 0.00 0.00 6 H 8.17 5.03 0.00 3.20 3.19 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.02 4.07 0.00 1.60 1.63 0.61 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.21 4.33 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 9 R 8.34 4.51 0.00 1.80 1.80 0.00 3.23 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 V 8.13 4.48 2.07 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 0.88 0.00 0.00 0.93 0.00 0.00 11 R 7.91 4.47 0.00 1.61 1.23 0.00 3.36 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 12 H 8.70 4.12 0.00 3.33 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 4.34 2.06 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 0.82 0.00 0.00 0.99 0.00 0.00 14 I 8.20 4.35 1.72 0.00 0.00 0.86 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 0.70 0.25 0.00 0.00 15 T 7.97 4.46 4.14 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 1.18 0.00 0.00 16 Y 8.50 4.79 0.00 2.90 2.83 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 17 S 8.46 4.79 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.82 0.00 1.60 1.55 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.38 4.32 0.00 3.92 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 20 P 0.00 4.24 0.00 1.88 2.12 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 21 F 7.90 4.37 0.00 3.13 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 22 E 8.10 4.42 0.00 2.10 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 2.37 2.42 0.00 23 Q 7.31 4.71 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 24 R 8.25 4.20 0.00 1.82 1.91 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 25 A 8.42 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.63 4.89 0.00 2.90 2.82 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 27 P 0.00 4.25 0.00 2.16 2.04 0.00 3.94 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 H 8.80 4.29 0.00 3.35 3.37 0.00 5.94 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.19 4.06 0.00 3.11 2.60 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 30 F 8.17 4.34 0.00 3.22 3.02 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 31 S 8.45 4.25 0.00 4.04 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 0.00 32 K 8.32 4.35 0.00 2.01 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.31 7.81 33 G 7.94 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 34 I 7.51 3.68 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.92 0.93 0.00 0.00 35 P 0.00 4.30 0.00 2.14 2.11 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 36 N 8.03 4.36 0.00 2.91 2.87 0.00 0.00 6.82 9.04 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 37 V 7.90 3.55 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 0.99 0.00 0.00 0.94 0.00 0.00 38 L 8.31 3.98 0.00 1.83 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.05 3.85 0.00 1.97 2.07 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 40 R 8.13 3.91 0.00 2.02 1.96 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 41 T 8.31 3.90 4.39 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 1.21 0.00 0.00 42 R 8.03 3.92 0.00 1.92 1.99 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 43 A 8.14 4.13 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 44 C 7.83 4.46 0.00 3.14 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 45 I 7.72 3.68 1.99 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 1.53 1.03 0.93 0.00 0.00 46 L 7.92 4.15 0.00 1.62 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.14 4.30 0.00 1.86 1.99 0.00 3.33 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 V 7.66 3.91 2.16 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 1.02 0.00 0.00 0.98 0.00 0.00 49 A 8.16 4.33 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 50 P 0.00 4.22 0.00 2.17 2.17 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 51 P 0.00 4.19 0.00 1.60 1.88 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 52 F 7.93 4.39 0.00 3.31 3.17 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 0.00 0.00 0.00 53 V 8.04 3.78 2.34 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 1.20 0.00 0.00 1.06 0.00 0.00 54 A 8.51 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.13 0.00 3.23 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 56 Y 8.41 3.89 0.00 3.37 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 57 L 8.40 3.95 0.00 1.91 1.74 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.19 3.64 2.06 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 1.15 0.00 0.00 0.96 0.00 0.00 59 Y 8.17 3.79 0.00 2.09 2.55 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 0.00 0.00 0.00 0.00 60 T 7.79 3.38 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 61 W 8.44 4.02 0.00 3.40 3.28 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 62 G 8.45 3.28 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 0.00 63 T 7.39 3.70 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 1.06 0.00 0.00 64 Q 7.72 3.78 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 65 E 7.62 3.53 0.00 1.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.07 0.00 66 F 7.60 4.08 0.00 2.98 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 67 E 7.95 3.74 0.00 1.92 1.86 0.00 0.00 0.00 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 2.39 0.00 68 K 8.02 3.76 0.00 1.77 1.76 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.37 7.81 69 S 7.54 4.20 0.00 3.96 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 70 K 7.53 4.25 0.00 1.54 1.65 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.01 0.84 7.81 71 R 7.01 4.54 0.00 1.83 1.82 0.00 3.00 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 72 K 6.92 4.68 0.00 1.76 1.96 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.49 7.81 73 N 7.71 4.78 0.00 2.77 2.78 0.00 0.00 6.35 7.75 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 74 P 0.00 4.20 0.00 2.18 2.14 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 75 A 8.08 4.42 1.19 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 *76 A 8.63 4.12 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 * Residues marked with a * may have inaccurate shift predictions.