NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5542 8.2649 122.4712 51.9281 20.1554 176.0138 3 L 4.5210 8.6433 120.2240 53.3793 44.6903 173.9459 4 T 4.8613 8.9762 117.3098 61.8299 71.9610 172.8843 5 L 4.7349 8.7207 129.8090 53.5253 43.7724 174.7016 6 Y 4.7005 8.6310 126.3181 57.4817 39.2484 175.1782 7 Q 4.8098 8.6037 121.6258 55.0109 32.8795 173.2561 8 R 5.3887 8.3112 114.5433 54.2146 32.5494 175.3056 9 D 4.4735 9.7537 120.6421 55.3253 41.7564 175.8925 10 D 4.2689 8.5656 119.6061 54.7287 39.0688 172.8337 11 C 4.5028 7.3600 118.8393 57.1404 35.0998 172.6511 12 H 4.2447 8.8958 128.2513 59.3501 29.5946 177.0054 13 L 3.2161 7.5295 120.3478 57.5876 41.4146 179.1072 14 C 3.8608 7.5546 116.1703 62.7460 28.0004 175.6911 15 D 4.3406 7.8798 120.5127 57.4005 40.3439 178.8812 16 Q 3.9307 7.6807 118.4391 58.5920 28.6037 178.5148 17 A 4.1009 7.3385 121.9092 55.0525 18.2666 179.6923 18 V 3.3884 7.6002 116.6623 66.3513 31.4863 178.2077 19 E 4.0055 8.0098 117.8585 59.1761 29.1776 179.1381 20 A 4.0905 8.1970 121.0643 55.1575 18.4023 179.6709 21 L 3.8517 8.1437 117.3762 57.6765 41.6916 179.7003 22 A 4.0252 7.7025 120.9369 55.3526 18.2193 179.8155 23 Q 3.9279 8.2894 115.4600 58.9421 28.8787 177.4819 24 A 4.1848 8.2872 118.4942 52.1919 18.8830 177.0053 25 R 3.8529 7.6263 113.3385 56.8226 28.2032 176.6597 26 A 4.3210 8.0489 119.1291 51.8555 20.1428 181.1251 27 G 4.1321 8.1338 112.4474 45.1065 0.0000 174.8514 28 A 4.3387 8.4969 126.5265 51.7515 19.6407 176.1284 29 F 5.2020 7.5639 113.7594 55.5475 41.1803 173.5264 30 F 4.8526 9.1198 118.8344 55.8487 42.4713 174.4993 31 S 4.8045 8.7769 118.9310 57.8603 64.3353 173.8701 32 V 4.2357 8.0236 123.0195 61.0901 34.1211 174.4560 33 F 4.9658 8.9026 127.7326 56.5773 39.8177 176.2007 34 I 4.1021 8.8229 119.5513 62.9863 38.1703 178.0501 35 D 4.4854 8.0532 121.0447 57.5106 40.6629 179.0456 36 D 4.8941 7.9082 116.5701 54.2124 41.6806 177.1973 37 D 4.5897 8.2972 118.8331 51.5015 43.5892 173.9513 38 A 4.0018 8.7285 129.5957 55.3485 18.4855 178.7321 39 A 3.9442 8.0502 118.3900 55.4696 18.5521 179.7790 40 L 4.1391 8.5244 117.5331 57.7804 41.6465 179.5798 41 E 4.0583 8.7674 119.4418 59.5091 29.2204 179.5814 42 S 4.2186 8.0789 112.8961 61.2035 63.2019 175.9851 43 A 3.9463 7.7301 123.3606 53.8520 18.4970 177.5157 44 Y 4.6430 8.3701 112.4546 57.2445 39.7271 177.5993 45 G 3.8177 8.3861 109.8212 47.8643 0.0000 174.2770 46 L 4.6527 7.9039 116.2883 54.5364 42.8788 176.7967 47 R 4.5708 8.0752 117.0646 56.4993 32.1066 177.1961 48 V 3.8373 7.9481 110.4781 61.2108 32.3715 173.8961 49 P 4.7693 0.0000 0.0000 62.7914 32.9096 175.1641 50 V 5.0324 8.6909 121.6817 61.3130 35.0137 173.8705 51 L 5.0756 8.7858 127.8140 53.1921 43.9762 175.4429 52 R 5.4261 9.0616 123.3131 54.7642 33.4482 174.3516 53 D 5.2766 9.0436 125.9149 50.3727 42.1297 175.0598 54 P 4.2253 0.0000 0.0000 62.9341 31.1313 177.6700 *56 G 4.0595 8.1181 103.6566 45.6965 0.0000 174.3446 57 R 4.5544 8.5480 120.3292 56.3193 31.4116 175.5607 58 E 5.4273 8.9208 120.1319 54.5976 33.7846 174.7816 59 L 4.2377 8.4328 125.0574 53.2305 44.3834 174.9632 60 D 5.2527 8.5438 126.0528 52.5082 42.5149 176.4202 61 W 4.2358 8.7046 132.1767 57.0207 31.3682 173.9438 62 P 2.0000 0.0000 0.0000 61.2095 31.9452 175.5758 63 F 4.5036 5.5335 113.9339 54.7017 40.5073 174.2716 64 D 4.7528 8.3749 124.9152 51.4369 42.7384 176.9075 65 A 4.0476 8.5189 120.5123 55.1523 18.1748 177.9766 66 P 4.2122 0.0000 0.0000 65.9884 31.2831 178.6070 67 R 3.9148 8.5827 118.6985 58.8833 29.9284 178.2504 68 L 3.8492 8.1658 120.3051 58.2799 42.2235 178.8421 69 R 3.8847 8.3866 118.7924 59.4690 30.0344 178.3380 70 A 4.0204 8.2195 120.5773 54.7017 18.1613 179.3309 71 W 4.1333 8.3066 126.2351 60.6183 31.1874 177.8171 72 L 3.6890 8.2246 118.9266 57.9080 40.9507 179.1411 73 D 4.4657 7.9475 115.9110 55.9404 40.8806 177.5462 74 A 4.2235 7.3722 119.6323 51.6437 19.2771 177.3483 75 A 4.0056 6.8530 120.4631 50.9331 19.2981 176.0462 76 P 4.3373 0.0000 0.0000 62.8847 31.6990 175.9202 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 4.55 1.28 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 3 L 8.64 4.52 0.00 1.72 1.69 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.98 4.86 4.12 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 0.00 0.00 0.00 0.54 0.00 0.00 5 L 8.72 4.73 0.00 1.64 1.57 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.63 4.70 0.00 2.58 2.41 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 7 Q 8.60 4.81 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 8 R 8.31 5.39 0.00 2.04 1.97 0.00 3.04 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 9 D 9.75 4.47 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.27 0.00 2.73 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 11 C 7.36 4.50 0.00 2.95 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.90 4.24 0.00 3.23 3.23 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.53 3.22 0.00 1.16 0.33 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.55 3.86 0.00 3.04 3.10 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 15 D 7.88 4.34 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.68 3.93 0.00 1.68 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 17 A 7.34 4.10 1.28 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 18 V 7.60 3.39 2.29 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 1.15 0.00 0.00 1.02 0.00 0.00 19 E 8.01 4.01 0.00 2.17 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 2.34 2.55 0.00 20 A 8.20 4.09 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.85 0.00 1.57 1.40 -0.21 0.33 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 22 A 7.70 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.93 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 24 A 8.29 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 3.85 0.00 2.01 2.02 0.00 3.52 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 26 A 8.05 4.32 1.25 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 0.00 0.00 0.00 27 G 8.13 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 0.00 0.00 0.00 0.00 28 A 8.50 4.34 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 29 F 7.56 5.20 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.12 4.85 0.00 2.92 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 31 S 8.78 4.80 0.00 3.73 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 32 V 8.02 4.24 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.74 0.00 0.00 33 F 8.90 4.97 0.00 3.15 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 34 I 8.82 4.10 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 1.04 0.00 0.00 35 D 8.05 4.49 0.00 2.76 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 36 D 7.91 4.89 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.59 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.00 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 39 A 8.05 3.94 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 40 L 8.52 4.14 0.00 1.95 1.90 1.14 0.96 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 41 E 8.77 4.06 0.00 2.24 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 2.60 2.50 0.00 42 S 8.08 4.22 0.00 4.00 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 43 A 7.73 3.95 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 44 Y 8.37 4.64 0.00 3.06 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 45 G 8.39 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 0.00 0.00 0.00 46 L 7.90 4.65 0.00 1.61 1.71 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.08 4.57 0.00 1.90 2.06 0.00 3.16 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 48 V 7.95 3.84 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 0.84 0.00 0.00 1.01 0.00 0.00 49 P 0.00 4.77 0.00 2.12 1.97 0.00 3.17 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 0.00 50 V 8.69 5.03 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 1.33 0.00 0.00 1.21 0.00 0.00 51 L 8.79 5.08 0.00 0.96 1.20 0.38 0.62 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 52 R 9.06 5.43 0.00 2.12 1.95 0.00 3.58 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 53 D 9.04 5.28 0.00 2.64 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 54 P 0.00 4.23 0.00 2.06 2.16 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 *56 G 8.12 4.06 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 0.00 0.00 0.00 57 R 8.55 4.55 0.00 2.23 2.22 0.00 3.07 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 58 E 8.92 5.43 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 59 L 8.43 4.24 0.00 0.27 0.13 0.42 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.54 5.25 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.70 4.24 0.00 3.47 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 62 P 0.00 2.00 0.00 1.33 1.06 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 63 F 5.53 4.50 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.37 4.75 0.00 2.95 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 65 A 8.52 4.05 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 66 P 0.00 4.21 0.00 2.28 2.33 0.00 3.69 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 2.47 2.02 0.00 67 R 8.58 3.91 0.00 1.97 2.10 0.00 3.05 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 1.61 1.63 0.00 68 L 8.17 3.85 0.00 1.77 1.92 0.82 0.85 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 69 R 8.39 3.88 0.00 1.96 2.05 0.00 3.28 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 70 A 8.22 4.02 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 71 W 8.31 4.13 0.00 3.24 3.41 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 72 L 8.22 3.69 0.00 1.87 1.61 0.96 1.10 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 73 D 7.95 4.47 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.37 4.22 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 75 A 6.85 4.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.14 1.97 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.