NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2387 8.2985 121.4703 55.9193 31.5944 177.3783 13 A 3.9092 8.1432 120.7662 53.1626 18.7387 177.4169 14 R 4.0022 8.0805 112.8366 59.0403 30.6740 175.5284 15 K 3.8866 7.8083 118.6094 57.7429 32.7215 174.2051 16 L 4.4917 9.0531 131.0781 55.9288 40.3580 175.8456 17 S 4.0842 8.7611 112.7455 60.7967 61.8563 174.5721 18 P 4.2718 0.0000 0.0000 65.7059 31.3338 178.5343 19 V 3.5738 7.7962 116.6632 66.5329 31.3204 177.4760 20 E 3.9901 8.5769 118.4174 59.3061 29.4362 179.0558 21 L 3.8866 8.8291 119.7625 58.2667 41.7429 178.7695 22 E 3.8442 10.0466 118.7802 59.1559 29.4230 178.4504 23 K 3.7667 8.3545 119.0179 59.8013 32.2017 178.0739 24 L 3.9435 8.5360 120.7599 58.5698 41.9217 179.2891 25 V 3.5403 8.4194 118.9363 65.1537 30.8014 178.5212 26 R 4.0393 8.4759 118.9065 58.6629 29.7485 178.9404 27 E 3.9770 8.7759 118.9289 59.5434 29.3734 179.2216 28 K 3.9406 8.6883 118.2848 60.2752 32.2942 178.6039 29 K 3.8740 8.6302 119.5551 59.0473 31.6530 179.2526 30 R 3.8491 7.7940 116.9299 59.4298 29.5574 177.9362 31 E 4.1016 8.6267 119.5827 57.5186 29.8774 178.0774 32 L 4.4246 8.2298 121.2145 53.5677 41.5961 180.8436 33 M 2.8916 9.7589 115.9280 55.1360 31.9533 178.6992 34 E 3.8355 8.9828 131.6884 57.4064 29.3183 176.0886 35 L 4.1556 8.3773 130.2216 55.8299 40.8455 177.4375 36 R 4.6338 9.9008 112.2906 56.3365 30.7356 177.2342 37 F 4.7375 7.6320 117.9369 57.2601 40.3800 172.9718 38 Q 4.0546 8.0963 123.4096 57.6855 30.0396 176.9784 39 A 4.3045 7.1184 123.4655 50.4133 17.0892 177.0252 40 S 4.6042 7.4140 117.2705 61.8946 63.3041 176.8438 41 I 3.6408 7.9259 121.2657 62.7803 37.4888 180.9040 42 G 3.9867 6.2030 108.8075 47.3243 0.0000 175.2347 43 Q 4.7022 8.3099 117.0567 54.6471 29.3917 176.3295 44 L 4.5759 9.1456 122.7515 56.1865 44.5282 177.4592 45 S 4.5305 7.9076 115.2900 57.8575 61.6903 173.4189 46 Q 4.2634 7.6793 125.6487 58.1522 30.1568 177.2850 47 N 4.3432 7.9019 114.5370 56.4756 37.5772 174.7923 48 H 4.7921 8.1411 116.2118 55.6290 31.3168 174.0023 49 K 3.9934 9.0741 126.1119 56.0434 38.4158 176.1193 50 I 3.5568 8.6263 134.0784 64.2034 37.6336 173.3395 51 R 3.9986 7.8985 127.1670 57.9362 31.0933 173.7006 52 D 4.6542 8.9127 129.6480 53.4524 39.9263 174.1583 53 L 3.8831 6.0347 115.7609 56.8600 43.1652 176.9325 54 K 3.7830 8.6391 124.0276 57.7500 29.6794 175.2765 55 R 4.5425 9.1493 115.8115 56.4530 30.3989 177.1821 56 Q 4.3051 7.7182 116.5110 53.9482 27.1998 174.2289 57 I 3.9022 7.4227 117.8531 59.7994 38.6906 174.8537 58 A 4.2011 8.4356 131.7468 51.2329 18.8888 177.0956 59 R 4.0339 8.4468 122.6207 55.9125 28.9555 176.0795 60 L 3.9567 8.2078 124.7431 56.0241 42.9325 176.7360 61 L 3.4519 8.3958 126.0512 56.8239 38.9737 175.3663 *62 T 4.1515 7.8439 114.2770 61.1288 69.1019 175.8109 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 12 E 8.30 4.24 0.00 1.98 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 2.27 2.26 0.00 13 A 8.14 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.08 4.00 0.00 1.99 2.20 0.00 2.97 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 15 K 7.81 3.89 0.00 1.73 1.78 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 16 L 9.05 4.49 0.00 1.81 2.24 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.76 4.08 0.00 3.91 3.89 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 18 P 0.00 4.27 0.00 2.20 2.07 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 19 V 7.80 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 20 E 8.58 3.99 0.00 2.24 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 2.33 2.58 0.00 21 L 8.83 3.89 0.00 1.64 1.75 0.96 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 E 10.05 3.84 0.00 2.23 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 2.31 2.38 0.00 23 K 8.35 3.77 0.00 1.87 1.99 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 24 L 8.54 3.94 0.00 1.92 1.74 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.42 3.54 2.25 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 0.91 0.00 0.00 0.91 0.00 0.00 26 R 8.48 4.04 0.00 1.90 2.01 0.00 3.27 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 27 E 8.78 3.98 0.00 2.22 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 2.34 2.47 0.00 28 K 8.69 3.94 0.00 1.72 1.83 0.00 1.79 0.00 0.00 1.95 0.00 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.87 2.07 7.81 29 K 8.63 3.87 0.00 1.91 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.48 7.81 30 R 7.79 3.85 0.00 2.00 2.06 0.00 3.31 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 31 E 8.63 4.10 0.00 2.17 2.39 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 2.70 2.78 0.00 32 L 8.23 4.42 0.00 0.95 0.73 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.76 2.89 0.00 2.08 1.39 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 34 E 8.98 3.84 0.00 2.12 2.17 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 2.39 2.30 0.00 35 L 8.38 4.16 0.00 1.81 1.86 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.90 4.63 0.00 2.19 2.10 0.00 3.46 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 37 F 7.63 4.74 0.00 3.21 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 38 Q 8.10 4.05 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.37 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 39 A 7.12 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.41 4.60 0.00 4.11 4.09 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 41 I 7.93 3.64 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.95 0.00 0.00 42 G 6.20 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 43 Q 8.31 4.70 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 44 L 9.15 4.58 0.00 1.67 1.66 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.91 4.53 0.00 3.98 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 46 Q 7.68 4.26 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.66 0.00 0.00 0.00 0.00 0.00 2.58 2.36 0.00 47 N 7.90 4.34 0.00 2.88 2.96 0.00 0.00 6.36 7.90 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 48 H 8.14 4.79 0.00 3.11 3.40 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.07 3.99 0.00 1.89 1.39 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.14 1.38 7.81 50 I 8.63 3.56 1.88 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 1.30 1.11 0.92 0.00 0.00 51 R 7.90 4.00 0.00 1.95 2.32 0.00 3.43 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.87 0.00 52 D 8.91 4.65 0.00 2.85 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 53 L 6.03 3.88 0.00 1.72 1.65 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.64 3.78 0.00 1.92 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 55 R 9.15 4.54 0.00 1.83 1.99 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 56 Q 7.72 4.31 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.27 0.00 57 I 7.42 3.90 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 1.35 0.63 0.96 0.00 0.00 58 A 8.44 4.20 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 59 R 8.45 4.03 0.00 1.79 1.94 0.00 3.27 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 60 L 8.21 3.96 0.00 1.58 1.57 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.40 3.45 0.00 1.83 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 7.84 4.15 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 * Residues marked with a * may have inaccurate shift predictions.