NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3097 8.2649 123.5822 52.1218 19.9398 175.9570 3 S 4.6723 8.2835 115.9459 56.2169 65.0897 168.8532 4 V 4.3615 8.1579 121.7198 61.6352 35.2063 173.3639 5 V 4.2342 8.3847 126.6273 61.0528 32.9613 174.5867 6 I 4.3070 8.3390 127.9763 59.8818 37.9847 175.1205 7 R 4.5496 8.3200 123.7796 54.5077 32.8194 175.1401 8 N 4.1007 8.4351 113.1975 54.2208 36.0512 174.8105 9 L 4.3237 7.7896 118.5379 53.7391 43.5345 176.0763 10 S 4.0768 8.7143 119.4408 58.8083 63.9206 174.7526 11 E 3.9531 8.8361 127.5919 59.4834 29.3940 179.4235 12 A 3.9510 7.9393 120.1024 55.6325 18.5840 179.1173 13 T 3.8876 7.6798 111.3331 65.8581 67.1287 175.5657 14 H 4.1365 8.1157 119.4205 59.1640 29.8577 176.8664 15 N 4.3178 8.4372 118.4025 56.3552 38.4489 177.0263 16 A 4.0715 8.5167 122.2432 55.4224 18.4063 179.8006 17 I 3.6742 7.7547 118.1586 64.3695 37.2104 178.3840 18 K 3.9675 8.2134 122.1502 58.7682 31.8910 178.3851 19 F 4.3119 8.4735 120.9156 61.4945 39.0358 177.1367 20 R 3.5748 8.1087 117.3111 59.1714 29.7984 178.6570 21 A 4.1238 7.9870 121.7102 54.7235 18.0451 179.9086 22 R 3.9025 8.0097 115.6852 59.2710 30.1173 179.0018 23 A 3.9601 7.8494 117.7587 53.4841 18.3072 177.4229 24 A 4.4497 6.8202 117.8992 50.8699 20.0309 176.3842 25 G 3.8600 9.2236 104.9065 47.0971 0.0000 174.2092 26 R 4.7128 8.4555 118.1349 53.2858 33.5923 176.6556 27 S 4.3982 8.2268 114.7998 58.2727 65.2058 175.2583 28 T 3.8271 8.4755 120.8163 66.9768 68.2703 176.1074 29 E 3.9128 8.2811 120.2484 59.5189 29.5256 178.6703 30 A 4.0066 7.9538 120.4296 54.9349 17.8293 178.9572 31 E 3.8269 8.1569 117.8539 59.7439 29.6391 179.0747 32 I 3.7140 7.7470 119.5539 64.4865 37.2283 178.3485 33 R 3.8584 8.0232 119.4156 59.2703 29.8473 178.4240 34 L 3.8947 8.0596 120.1622 58.4240 42.1757 178.3738 35 I 3.6214 8.0378 119.9457 64.9127 37.0752 178.0398 36 L 4.0102 8.4106 119.5247 58.1852 41.5237 179.7024 37 D 4.3325 7.9865 118.5983 57.4822 40.7268 178.5231 38 N 4.3591 8.6376 117.3658 56.2315 38.4707 177.4960 39 I 3.6533 7.8381 120.9942 64.3077 37.0995 178.1053 40 A 3.9612 7.8983 121.5008 55.1376 17.9715 179.2400 41 K 3.7382 7.8822 116.4195 59.9051 32.2227 178.3574 42 A 4.0807 7.9059 119.3335 55.3801 18.5048 179.2292 43 Q 3.9517 7.9644 115.5567 57.6671 29.2334 177.5872 44 Q 4.3645 7.2652 120.2301 54.7508 30.2312 175.0591 45 T 4.4064 8.1393 121.4827 61.5122 69.2085 174.2336 46 V 3.7983 8.1500 126.4079 62.8803 32.5660 176.9118 47 R 4.4196 8.1184 125.9693 53.9318 29.0198 176.2032 48 L 3.9902 8.3081 123.9994 58.4485 42.4088 177.9834 49 G 3.7010 8.1348 104.6106 48.2605 0.0000 175.4970 50 S 4.1756 7.9992 117.5308 60.7961 62.7929 176.2870 51 M 4.0240 8.4051 121.4489 58.8690 31.9224 178.2755 52 L 3.9087 7.7129 118.5834 57.8289 42.1074 179.2401 53 A 4.1424 7.8702 120.1857 55.2108 18.0590 179.5505 54 S 4.0438 7.8108 111.9898 61.5555 62.1413 176.1482 55 I 3.9510 7.6880 122.4300 64.3273 36.7127 178.6311 56 G 3.6506 8.4413 106.9788 47.6502 0.0000 176.0630 57 Q 3.6464 7.7325 118.9634 58.3260 28.7180 178.0538 58 E 4.1486 8.4628 120.8286 58.2414 29.7181 177.8080 59 I 4.4645 7.2641 110.5822 60.5273 38.9288 176.2767 60 G 3.7667 8.6175 106.0429 46.4444 0.0000 173.2741 61 G 4.0837 9.1185 110.9024 45.1422 0.0000 173.8813 62 V 4.3876 7.7712 112.0578 60.3416 35.8704 174.9264 63 E 4.4719 8.2284 120.3037 55.7293 29.8525 174.4456 64 L 4.4444 8.3221 125.5841 54.4683 42.2100 177.0584 65 E 3.4862 7.8313 119.8391 57.6654 27.6928 174.6744 *66 D 4.4530 7.8066 120.4411 53.3208 40.5731 176.8791 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 2 A 8.26 4.31 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 3 S 8.28 4.67 0.00 3.94 3.78 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 4 V 8.16 4.36 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 5 V 8.38 4.23 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 0.89 0.00 0.00 0.93 0.00 0.00 6 I 8.34 4.31 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.92 0.00 0.00 7 R 8.32 4.55 0.00 1.77 1.84 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 8 N 8.44 4.10 0.00 2.81 2.86 0.00 0.00 6.81 7.85 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 9 L 7.79 4.32 0.00 1.60 1.59 0.94 1.04 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 10 S 8.71 4.08 0.00 3.93 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 11 E 8.84 3.95 0.00 2.02 1.99 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 2.39 2.32 0.00 12 A 7.94 3.95 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 13 T 7.68 3.89 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 1.29 0.00 0.00 14 H 8.12 4.14 0.00 3.37 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.44 4.32 0.00 2.93 2.86 0.00 0.00 6.94 8.28 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 16 A 8.52 4.07 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 17 I 7.75 3.67 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.87 0.90 0.00 0.00 18 K 8.21 3.97 0.00 1.88 2.03 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.32 7.81 19 F 8.47 4.31 0.00 3.13 3.34 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 20 R 8.11 3.57 0.00 2.00 1.91 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 21 A 7.99 4.12 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 22 R 8.01 3.90 0.00 1.83 1.98 0.00 3.31 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 1.85 1.79 0.00 23 A 7.85 3.96 0.75 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 0.00 0.00 0.00 0.00 0.00 24 A 6.82 4.45 1.23 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 0.00 0.00 25 G 9.22 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.46 4.71 0.00 1.74 1.79 0.00 3.14 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 27 S 8.23 4.40 0.00 4.04 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 28 T 8.48 3.83 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 1.17 0.00 0.00 29 E 8.28 3.91 0.00 2.03 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 2.38 2.40 0.00 30 A 7.95 4.01 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 31 E 8.16 3.83 0.00 2.08 2.20 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 2.44 2.39 0.00 32 I 7.75 3.71 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.91 0.00 0.00 33 R 8.02 3.86 0.00 2.06 2.13 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 34 L 8.06 3.89 0.00 1.84 1.83 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.04 3.62 2.04 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 1.52 0.72 0.91 0.00 0.00 36 L 8.41 4.01 0.00 1.83 1.74 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.99 4.33 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.36 0.00 2.82 2.86 0.00 0.00 7.07 7.29 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 39 I 7.84 3.65 2.03 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 1.46 0.58 0.91 0.00 0.00 40 A 7.90 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.74 0.00 1.92 2.05 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 42 A 7.91 4.08 1.35 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 0.00 0.00 43 Q 7.96 3.95 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 44 Q 7.27 4.36 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 45 T 8.14 4.41 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 1.21 0.00 0.00 46 V 8.15 3.80 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 0.82 0.00 0.00 0.95 0.00 0.00 47 R 8.12 4.42 0.00 1.90 1.85 0.00 3.22 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 48 L 8.31 3.99 0.00 1.74 1.70 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.13 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 0.00 0.00 0.00 50 S 8.00 4.18 0.00 3.87 3.93 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 0.00 0.00 0.00 51 M 8.41 4.02 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 52 L 7.71 3.91 0.00 1.68 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.87 4.14 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 54 S 7.81 4.04 0.00 4.16 3.92 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 55 I 7.69 3.95 2.02 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 1.45 1.06 0.91 0.00 0.00 56 G 8.44 3.65 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 0.00 0.00 0.00 57 Q 7.73 3.65 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.69 2.46 0.00 58 E 8.46 4.15 0.00 1.93 2.21 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 2.32 2.31 0.00 59 I 7.26 4.46 1.87 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 1.72 0.78 0.96 0.00 0.00 60 G 8.62 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 61 G 9.12 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 62 V 7.77 4.39 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 0.71 0.00 0.00 0.93 0.00 0.00 63 E 8.23 4.47 0.00 1.98 1.77 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 2.27 2.39 0.00 64 L 8.32 4.44 0.00 1.66 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.83 3.49 0.00 2.08 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 2.28 0.00 *66 D 7.81 4.45 0.00 2.48 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 * Residues marked with a * may have inaccurate shift predictions.