NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3879 8.1885 115.2906 57.8218 63.8508 174.5445 3 A 3.9077 8.6095 128.9093 54.3626 18.1646 178.4170 4 Q 3.8303 7.6010 117.4399 59.2874 29.4310 177.2421 5 V 3.8940 7.5217 121.0988 64.5080 31.6096 178.0382 6 M 4.0260 8.0396 119.3762 58.2363 31.7354 178.7721 7 L 4.0827 7.9783 119.0654 57.6574 41.6267 179.3389 8 E 3.9682 8.3879 118.7765 59.4304 29.3788 179.0894 9 D 4.4296 8.3630 119.1141 57.5219 40.8730 178.6088 10 M 3.8398 8.0502 118.9002 58.4490 32.0283 178.7102 11 A 4.1859 8.2168 120.8443 55.1128 18.4795 179.6805 12 R 3.8387 8.3755 117.5653 59.4173 30.2140 178.3322 13 K 3.6609 7.9545 119.4573 60.0742 32.0374 178.2438 14 Y 4.1744 7.8047 116.4074 60.8767 37.7768 178.1962 15 A 3.7004 8.1278 121.8670 55.0016 18.4759 179.7343 16 I 3.5836 7.8640 118.4300 64.5705 37.1552 178.6800 17 L 3.6675 7.6120 119.5183 57.5001 41.1969 179.5317 18 A 3.7117 7.7179 120.7943 54.9747 18.1720 179.9248 19 V 3.5213 7.5673 116.8027 65.6741 31.5210 178.2907 20 K 3.8852 7.9872 119.3473 59.4984 31.8924 178.7315 21 A 4.0177 7.8906 119.8060 55.0209 18.5466 178.6850 22 D 4.5087 8.2508 116.6792 57.7193 41.1185 178.7347 23 K 4.0162 7.9684 117.5976 59.5552 32.2767 178.9114 24 E 4.3594 8.2023 116.5304 55.9884 29.3956 173.3524 25 G 3.7953 7.6709 115.7335 44.9165 0.0000 172.9549 *28 D 4.6410 7.9883 127.2523 52.4531 40.1960 177.9974 29 D 4.1717 9.0660 115.1741 56.4328 40.6348 177.8808 30 A 3.9621 7.6965 120.8693 55.2695 18.4262 179.5696 31 I 3.8347 7.8703 117.9303 64.8853 37.2050 178.5401 32 T 3.7821 7.5329 110.3705 65.1796 68.5103 176.0704 33 Y 4.3095 7.9680 120.0125 60.7998 37.7513 178.0790 34 Y 4.1029 8.3274 118.1590 60.9973 37.8827 178.7045 35 K 4.0118 8.3235 119.4987 59.1678 32.1420 179.2852 36 K 3.6388 8.0534 119.6641 59.3379 31.9737 178.6398 37 A 4.1722 8.0115 120.9347 55.3193 18.2739 179.5445 38 I 3.7650 8.1388 118.4328 64.5318 37.2248 178.1821 39 E 3.9070 8.4033 120.1751 59.4608 29.6320 179.1288 40 V 3.9200 7.8104 119.4997 65.5156 31.5345 177.9892 41 L 3.8926 8.2462 118.9070 57.8242 41.4390 179.6799 42 S 4.2298 8.3823 115.3035 61.4191 62.6358 176.7080 43 Q 4.0302 7.8620 120.6533 58.8279 28.4351 178.6562 44 I 3.9011 7.6073 120.6090 64.4791 36.6546 178.5086 45 I 3.8729 7.5333 120.3455 64.4190 36.6897 178.6561 46 V 3.6416 7.7038 118.1338 65.9152 31.4164 177.6592 47 L 4.0305 7.6610 117.5776 56.0187 43.3170 176.9185 48 Y 4.8452 8.3481 115.5634 55.6986 38.0591 174.5876 49 P 4.5604 0.0000 0.0000 64.3006 32.1475 177.6652 50 E 4.6940 7.9129 116.3141 55.6650 30.3401 175.8419 51 S 4.3081 7.9501 114.2426 59.0897 62.9917 175.3204 52 V 3.5407 8.5038 120.2999 64.0173 31.6434 176.7204 53 A 4.1752 7.6597 121.0389 51.8277 19.1465 178.7134 54 R 3.9440 7.8997 118.7330 59.9036 29.9497 178.4763 55 T 3.8076 7.8966 114.8217 66.7782 68.5805 175.9844 56 A 3.9015 7.6950 121.6847 55.3888 18.4429 179.1125 57 Y 4.3102 7.5793 115.1261 61.4480 37.9965 178.7344 58 E 4.0222 8.5971 119.7978 59.2233 29.5068 179.0209 59 Q 3.9201 8.2852 119.8627 59.6341 29.0285 178.6178 60 M 3.6078 7.8403 119.1298 58.0973 31.9399 178.7380 61 I 3.6884 7.7343 119.8769 64.5937 37.3419 178.1335 62 N 4.3102 8.0951 117.0965 56.4007 38.4991 177.0922 63 E 3.8766 8.1362 120.5929 59.5064 29.6036 178.4872 64 Y 4.1964 7.9179 116.8944 60.5346 37.8708 178.1234 65 K 3.9440 8.5580 120.0350 59.5666 32.0891 179.4165 66 K 3.9215 8.1502 118.6473 59.4530 31.8430 179.4452 67 R 3.8923 7.7356 118.6594 59.3084 29.9766 178.6375 68 I 3.6624 7.8510 119.8840 64.3327 36.8693 178.1898 69 S 4.1115 8.0128 115.2760 62.0365 63.0492 176.1360 70 Y 4.1313 7.7537 121.5334 60.8141 38.4270 178.1071 71 L 3.9744 7.9064 118.2429 57.3910 41.7321 178.9849 72 E 4.0026 7.9072 117.7293 58.7730 29.3606 178.9907 73 K 4.0156 7.8352 118.4207 56.9999 31.9362 177.5127 74 V 4.9132 6.7983 133.9351 62.3119 32.3274 171.1656 75 L 4.1845 7.3504 126.8906 55.5325 41.6744 178.3449 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 S 8.19 4.39 0.00 3.86 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 3 A 8.61 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 3.83 0.00 1.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.20 1.97 0.00 5 V 7.52 3.89 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 0.96 0.00 0.00 0.89 0.00 0.00 6 M 8.04 4.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 7 L 7.98 4.08 0.00 1.88 1.71 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.39 3.97 0.00 2.20 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 0.00 2.41 2.59 0.00 9 D 8.36 4.43 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.05 3.84 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 11 A 8.22 4.19 1.46 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 0.00 0.00 12 R 8.38 3.84 0.00 1.96 2.12 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 13 K 7.95 3.66 0.00 1.71 1.81 0.00 1.40 0.00 0.00 1.41 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.24 7.81 14 Y 7.80 4.17 0.00 3.23 3.07 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 0.00 0.00 0.00 0.00 15 A 8.13 3.70 1.47 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 0.00 0.00 16 I 7.86 3.58 1.91 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 1.49 0.63 0.83 0.00 0.00 17 L 7.61 3.67 0.00 1.00 0.26 0.55 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.72 3.71 0.34 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 19 V 7.57 3.52 2.04 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 1.02 0.00 0.00 1.07 0.00 0.00 20 K 7.99 3.89 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 21 A 7.89 4.02 1.47 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 0.00 0.00 22 D 8.25 4.51 0.00 3.04 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 23 K 7.97 4.02 0.00 1.79 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.65 7.81 24 E 8.20 4.36 0.00 2.10 2.03 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 2.36 2.48 0.00 25 G 7.67 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 *28 D 7.99 4.64 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.07 4.17 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 3.96 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.87 3.83 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.86 0.97 0.00 0.00 32 T 7.53 3.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 33 Y 7.97 4.31 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.10 0.00 3.21 2.90 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 35 K 8.32 4.01 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 36 K 8.05 3.64 0.00 1.69 0.74 0.00 1.28 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.84 7.81 37 A 8.01 4.17 1.51 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 38 I 8.14 3.76 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.97 0.00 0.00 39 E 8.40 3.91 0.00 2.08 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 2.31 2.32 0.00 40 V 7.81 3.92 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 1.24 0.00 0.00 1.13 0.00 0.00 41 L 8.25 3.89 0.00 1.98 1.72 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.38 4.23 0.00 4.00 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 43 Q 7.86 4.03 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 44 I 7.61 3.90 1.45 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.71 0.00 0.00 45 I 7.53 3.87 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.35 0.97 0.00 0.00 46 V 7.70 3.64 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 0.80 0.00 0.00 0.97 0.00 0.00 47 L 7.66 4.03 0.00 1.45 0.89 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.35 4.85 0.00 3.14 2.93 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 49 P 0.00 4.56 0.00 2.20 2.21 0.00 3.40 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 50 E 7.91 4.69 0.00 2.11 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 0.00 2.23 2.31 0.00 51 S 7.95 4.31 0.00 4.13 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 52 V 8.50 3.54 2.03 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 0.72 0.00 0.00 0.89 0.00 0.00 53 A 7.66 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.90 3.94 0.00 2.03 1.94 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 55 T 7.90 3.81 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 1.17 0.00 0.00 56 A 7.70 3.90 1.15 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 57 Y 7.58 4.31 0.00 3.17 2.90 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 58 E 8.60 4.02 0.00 2.15 2.01 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 2.37 2.39 0.00 59 Q 8.29 3.92 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 60 M 7.84 3.61 0.00 1.79 2.16 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 61 I 7.73 3.69 1.88 0.00 0.00 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 1.59 0.68 0.94 0.00 0.00 62 N 8.10 4.31 0.00 2.77 2.84 0.00 0.00 6.75 6.94 0.00 0.00 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 E 8.14 3.88 0.00 1.98 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 2.35 2.35 0.00 64 Y 7.92 4.20 0.00 3.05 2.89 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 0.00 0.00 0.00 65 K 8.56 3.94 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 66 K 8.15 3.92 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 67 R 7.74 3.89 0.00 1.90 1.35 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 68 I 7.85 3.66 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.75 0.98 0.00 0.00 69 S 8.01 4.11 0.00 4.08 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 70 Y 7.75 4.13 0.00 3.12 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 71 L 7.91 3.97 0.00 1.68 1.74 1.17 1.04 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 72 E 7.91 4.00 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 K 7.84 4.02 0.00 1.11 1.60 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 74 V 6.80 4.91 1.70 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 0.38 0.00 0.00 1.03 0.00 0.00 75 L 7.35 4.18 0.00 1.63 1.39 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.