NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9157 8.3544 108.0221 46.3458 0.0000 172.4176 12 T 4.2801 7.7991 114.2101 60.2773 68.6250 170.5648 13 E 4.7094 9.4844 129.9709 56.6096 31.4777 175.1071 14 C 5.3070 9.3119 120.4141 58.1474 33.6124 172.7606 15 I 4.8560 8.4380 120.4165 59.1888 39.9584 175.3049 16 A 4.2878 8.6798 129.9433 52.1797 18.6288 178.2064 17 K 4.1415 9.2117 122.9720 58.0556 32.7935 176.3646 18 Y 5.1361 7.5688 115.3706 56.2531 42.3319 174.4883 19 N 5.1063 9.0110 117.7764 53.4204 40.1422 175.1099 20 F 4.7852 8.8368 123.8865 57.4069 42.6900 172.7507 21 H 4.6191 8.4729 123.5897 53.8240 30.0507 175.5208 22 G 3.5661 8.3314 109.7404 46.9643 0.0000 173.1902 23 T 4.4110 9.3050 110.0369 61.6985 70.2391 174.4207 24 A 4.5560 7.3789 123.5750 50.6206 21.9505 176.4680 25 E 3.9361 8.7090 120.5435 58.5841 29.8908 177.6611 26 Q 4.3481 7.9068 115.1353 56.6093 29.3788 174.9437 27 D 5.1901 7.9951 119.1126 54.0688 42.3163 175.8526 28 L 4.6352 8.9070 124.2052 53.2718 42.5944 174.6713 29 P 4.7124 0.0000 0.0000 62.7918 32.6437 175.1650 30 F 4.9121 8.3245 115.7335 57.0541 41.8628 172.1678 31 C 5.5177 8.9012 115.5766 57.2841 31.9663 174.2016 32 K 4.3666 9.7079 123.0436 58.3132 32.1279 177.5297 33 G 3.9926 9.1807 114.7798 45.2324 0.0000 173.4241 34 D 4.6461 7.8473 119.6689 54.1620 42.2673 175.4964 35 V 4.5932 8.1560 120.5693 61.7887 33.3059 175.0907 36 L 4.9299 8.8227 125.9161 53.1883 46.4274 175.1493 37 T 4.8583 8.6390 117.5641 60.0758 69.3234 173.2342 38 I 3.9027 8.8496 131.2655 61.7591 37.3360 176.8566 39 V 4.0534 8.4990 127.6050 64.5937 32.7511 175.6304 40 A 4.5581 7.4726 118.7983 51.0054 22.2644 176.1560 41 V 4.2473 8.4824 119.5579 62.6270 32.6776 175.8104 42 T 4.9248 8.1341 115.0128 59.6717 71.2921 173.5916 43 K 4.0933 8.6793 119.0927 59.1697 33.3367 176.3057 44 D 4.8633 7.6603 118.7601 51.6805 42.1127 175.1574 45 P 4.4693 0.0000 0.0000 64.7115 31.6347 176.6591 46 N 4.4361 8.8136 115.5517 53.2802 39.0968 174.4336 47 W 5.2043 7.8894 117.5826 54.9312 32.9760 174.1465 48 Y 5.1962 9.0948 119.9264 56.2293 42.2202 174.1010 49 K 5.0875 9.3857 122.3569 55.1994 34.2169 175.1570 50 A 5.3928 9.3965 128.3708 50.2217 23.4214 174.2600 51 K 5.2349 8.6874 116.6642 55.0554 36.8290 176.7105 52 N 5.0958 8.9101 121.6926 51.2479 39.3620 176.0675 53 K 3.8106 8.8411 118.4390 59.0765 32.0931 178.3153 54 V 4.1280 8.0510 115.8284 61.1649 31.5592 176.7109 55 G 3.9780 8.3284 110.3771 45.2949 0.0000 174.3871 56 R 4.1462 7.9336 120.5594 56.4654 31.1205 174.9870 57 E 5.2373 9.3315 125.1152 54.0424 33.5363 174.7315 58 G 4.1091 8.0037 109.9754 46.5190 0.0000 171.2488 59 I 5.1541 8.0323 120.9265 60.8647 38.6286 175.7583 60 I 5.1022 8.9329 118.4497 58.6740 41.6819 172.4959 61 P 3.5055 0.0000 0.0000 61.7542 31.9654 177.1955 62 A 3.7156 8.3349 125.8757 55.2239 18.3708 179.4593 63 N 4.4237 7.8327 111.6914 56.0768 38.8907 175.3837 64 Y 4.5068 8.0947 114.4371 58.2074 38.3774 174.7528 65 V 4.8427 7.4282 119.7315 60.9262 35.0679 174.4829 66 Q 4.4231 8.7113 126.3185 53.6627 31.9846 173.4681 67 K 3.8323 9.0716 130.5134 57.6080 32.7845 177.2162 *68 R 4.1109 8.3632 125.3432 56.4439 30.0677 172.0714 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 11 G 8.35 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 0.00 0.00 0.00 12 T 7.80 4.28 4.17 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 1.10 0.00 0.00 13 E 9.48 4.71 0.00 1.89 1.80 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 2.35 2.25 0.00 14 C 9.31 5.31 0.00 2.66 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 15 I 8.44 4.86 1.80 0.00 0.00 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 1.10 0.95 0.85 0.00 0.00 16 A 8.68 4.29 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 4.14 0.00 0.79 1.22 0.00 1.02 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.14 7.81 18 Y 7.57 5.14 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.01 5.11 0.00 2.74 2.76 0.00 0.00 6.61 7.45 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 20 F 8.84 4.79 0.00 2.40 1.45 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 21 H 8.47 4.62 0.00 2.85 3.07 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.33 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.31 4.41 4.31 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 1.42 0.00 0.00 24 A 7.38 4.56 1.14 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 0.00 0.00 25 E 8.71 3.94 0.00 1.91 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 2.28 2.29 0.00 26 Q 7.91 4.35 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 27 D 8.00 5.19 0.00 2.71 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 4.64 0.00 1.79 1.89 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.71 0.00 1.97 1.82 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 30 F 8.32 4.91 0.00 3.13 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 31 C 8.90 5.52 0.00 3.12 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 32 K 9.71 4.37 0.00 1.92 1.80 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 33 G 9.18 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.85 4.65 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 36 L 8.82 4.93 0.00 1.39 1.35 0.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.64 4.86 4.40 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 1.21 0.00 0.00 38 I 8.85 3.90 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.50 0.00 0.00 39 V 8.50 4.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 40 A 7.47 4.56 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 41 V 8.48 4.25 2.13 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 0.94 0.00 0.00 0.97 0.00 0.00 42 T 8.13 4.92 4.31 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 1.36 0.00 0.00 43 K 8.68 4.09 0.00 1.90 2.00 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 44 D 7.66 4.86 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.09 2.12 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 46 N 8.81 4.44 0.00 2.88 2.50 0.00 0.00 6.61 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 7.89 5.20 0.00 3.08 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.09 5.20 0.00 2.90 2.70 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 49 K 9.39 5.09 0.00 1.86 1.73 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.41 1.44 7.81 50 A 9.40 5.39 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 51 K 8.69 5.23 0.00 1.83 1.65 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.39 7.81 52 N 8.91 5.10 0.00 2.88 3.02 0.00 0.00 6.87 7.03 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 53 K 8.84 3.81 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.40 7.81 54 V 8.05 4.13 2.10 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 0.82 0.00 0.00 0.94 0.00 0.00 55 G 8.33 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 56 R 7.93 4.15 0.00 1.99 1.95 0.00 3.07 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 57 E 9.33 5.24 0.00 1.99 1.79 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 2.21 2.51 0.00 58 G 8.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.03 5.15 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 1.05 0.00 0.00 60 I 8.93 5.10 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 1.27 0.00 0.00 61 P 0.00 3.51 0.00 1.63 0.78 0.00 2.42 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.44 0.00 62 A 8.33 3.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 4.42 0.00 2.82 2.97 0.00 0.00 6.90 7.46 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 64 Y 8.09 4.51 0.00 3.22 3.30 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 0.00 65 V 7.43 4.84 2.10 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 0.76 0.00 0.00 0.73 0.00 0.00 66 Q 8.71 4.42 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 67 K 9.07 3.83 0.00 1.75 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.49 7.81 *68 R 8.36 4.11 0.00 1.59 1.81 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.