NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 T 4.2678 8.1744 110.9395 61.3017 70.0975 172.8472 18 E 3.9697 8.5851 125.5624 54.6462 30.3419 174.6098 19 A 4.1283 8.7231 129.8544 52.1850 20.0405 175.9635 20 V 4.5341 8.3419 121.9361 61.1530 34.3424 175.1126 21 G 4.2515 9.5516 116.0639 44.8608 0.0000 171.2102 22 H 5.4730 8.6090 118.4575 54.3624 32.7717 172.4778 23 F 4.5524 9.3393 127.4898 57.2204 41.8407 174.2814 24 E 3.6777 9.3400 130.0231 57.4505 26.5616 175.0091 25 G 3.9588 7.9693 98.5894 46.4068 0.0000 172.7314 26 R 4.8032 7.2616 117.3557 53.7416 34.3207 175.2467 27 S 4.8381 8.7600 117.9097 58.4695 64.4044 173.6586 28 V 4.6071 8.9966 121.8209 61.5299 34.5962 174.1604 29 T 4.9277 8.4268 116.8913 59.3760 71.9689 173.6606 30 R 3.9001 8.6949 123.4720 56.3858 30.6334 175.6436 31 A 4.7612 8.2577 127.3286 49.8854 21.1126 175.6539 32 A 4.2210 8.1658 123.0371 51.7945 19.2064 179.4285 33 V 3.6649 8.4381 121.0507 63.9456 32.2873 176.2191 34 R 3.7088 7.5432 113.0830 56.5550 28.8387 178.4140 35 G 3.6799 8.2159 108.2564 49.3459 0.0000 174.7755 36 E 4.2511 7.9617 116.0021 57.5478 30.6615 177.3067 37 D 4.4326 8.0447 118.8133 56.6925 41.5396 175.9721 38 R 4.8074 7.6988 115.0074 54.6979 34.4772 174.9939 39 S 4.1676 8.0431 113.0065 57.3036 64.3669 172.6605 *68 G 3.6298 8.5520 107.0365 45.7487 0.0000 171.6335 69 D 4.7469 8.5963 125.0153 52.1492 41.9260 176.7103 70 G 3.6275 8.6787 114.2321 45.8290 0.0000 172.3000 71 T 4.4616 8.2391 120.9877 60.7899 69.2423 172.8097 72 P 4.4117 0.0000 0.0000 62.8805 32.0883 177.3617 73 L 4.3763 8.3646 119.7752 57.1330 42.1903 179.3546 74 E 3.9223 8.2476 117.1815 59.1310 29.5934 178.0647 75 A 4.1723 7.3757 121.4847 54.5590 18.8212 178.4134 76 R 4.1347 7.3870 114.4078 56.3865 30.7022 176.3668 77 T 4.4940 8.1586 110.8824 60.4518 70.4569 174.4671 78 V 4.5007 7.9444 121.7152 60.3376 34.0971 176.4021 79 R 4.4189 8.0704 120.5984 54.8525 31.6528 173.8452 80 R 3.9874 8.3829 122.7450 56.2036 30.7418 176.7087 81 R 4.2162 8.3750 120.6183 56.3917 29.6452 174.8774 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 17 T 8.17 4.27 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 18 E 8.59 3.97 0.00 2.03 1.90 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 2.28 2.37 0.00 19 A 8.72 4.13 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 20 V 8.34 4.53 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 0.86 0.00 0.00 0.98 0.00 0.00 21 G 9.55 4.25 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 0.00 22 H 8.61 5.47 0.00 3.11 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.34 4.55 0.00 3.01 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 24 E 9.34 3.68 0.00 1.67 1.67 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 1.47 1.52 0.00 25 G 7.97 3.96 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 0.00 0.00 0.00 26 R 7.26 4.80 0.00 1.91 1.79 0.00 3.23 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 27 S 8.76 4.84 0.00 3.90 3.90 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 28 V 9.00 4.61 2.11 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 0.96 0.00 0.00 1.04 0.00 0.00 29 T 8.43 4.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 R 8.69 3.90 0.00 1.77 1.88 0.00 3.22 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 31 A 8.26 4.76 1.21 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 0.00 0.00 0.00 0.00 0.00 32 A 8.17 4.22 1.26 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 0.00 0.00 0.00 33 V 8.44 3.66 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 0.92 0.00 0.00 34 R 7.54 3.71 0.00 2.16 2.11 0.00 2.88 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 35 G 8.22 3.68 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 0.00 0.00 0.00 36 E 7.96 4.25 0.00 2.08 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 2.23 0.00 37 D 8.04 4.43 0.00 2.66 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.70 4.81 0.00 1.79 1.75 0.00 3.35 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 39 S 8.04 4.17 0.00 3.76 3.69 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 *68 G 8.55 3.63 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 0.00 69 D 8.60 4.75 0.00 2.65 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 70 G 8.68 3.63 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 0.00 71 T 8.24 4.46 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 72 P 0.00 4.41 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 73 L 8.36 4.38 0.00 1.75 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.25 3.92 0.00 1.93 2.02 0.00 0.00 0.00 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 2.37 0.00 75 A 7.38 4.17 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 76 R 7.39 4.13 0.00 1.86 1.88 0.00 3.15 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 77 T 8.16 4.49 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 78 V 7.94 4.50 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 0.79 0.00 0.00 0.93 0.00 0.00 79 R 8.07 4.42 0.00 1.77 1.87 0.00 3.38 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 1.54 1.56 0.00 80 R 8.38 3.99 0.00 1.77 1.85 0.00 3.18 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 81 R 8.37 4.22 0.00 1.89 1.81 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.