NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.3901 0.0000 0.0000 62.4481 32.7674 175.9718 21 Q 4.3152 8.4452 121.5081 52.5320 30.2998 172.6153 22 P 4.9446 0.0000 0.0000 62.3414 34.0865 174.4819 23 T 4.9440 8.2923 114.0800 60.7354 71.1367 172.3478 24 S 5.1814 8.5273 120.6262 57.1305 66.9756 172.4862 25 F 5.0193 8.2763 112.8071 55.4333 40.9734 171.8990 26 P 4.9984 0.0000 0.0000 62.8676 32.8582 174.4512 27 L 4.8852 8.3265 119.6279 53.4981 46.5265 175.6395 28 E 4.1586 8.7861 118.9608 56.9531 30.2947 176.1789 29 H 4.2664 9.1694 114.0980 57.8954 26.3732 174.7840 30 N 4.3771 8.1672 109.5893 54.7115 36.7230 174.3876 31 H 5.2999 8.2312 115.0578 55.5014 31.0616 174.0090 32 F 5.0691 8.6770 114.2609 56.2557 41.6030 173.0656 33 G 3.9156 8.5019 106.1792 44.4786 0.0000 172.3644 34 V 5.3572 8.5634 120.8785 59.9422 35.1504 173.6255 *36 E 4.2463 8.6139 118.5602 57.6960 30.5980 176.1333 37 D 4.1020 9.7806 123.8852 54.5853 38.9877 173.9512 38 G 4.4469 8.2051 103.1834 46.7795 0.0000 172.8753 39 Y 5.0784 7.6148 111.1184 57.7685 43.4445 176.1895 40 I 4.8885 8.9217 123.7685 59.6309 40.4521 174.5893 41 K 5.0097 9.1843 126.6196 54.5080 35.3412 175.1933 42 I 4.7485 8.3687 124.8626 59.6796 39.9720 174.4157 43 Y 4.9492 8.7611 123.8383 55.9026 41.9455 174.0721 44 E 4.8484 8.9869 121.5737 54.5614 33.0094 173.7976 45 Y 5.0242 9.1614 128.7302 56.1703 40.3957 174.8033 46 N 4.3264 8.4558 127.5643 52.0864 39.1651 175.0171 47 E 3.5099 8.4183 128.5023 59.1794 30.0656 179.2958 48 S 4.0960 8.0623 113.3947 61.1967 62.9318 175.1624 49 R 4.1815 8.1612 116.3114 55.2719 30.9067 175.4334 50 N 4.1727 7.5937 116.1443 54.5312 37.8302 172.7098 51 E 4.9189 8.0018 117.1838 54.7646 35.2002 176.5515 52 V 5.0293 8.5657 121.4000 61.3789 33.7040 174.6337 53 K 4.7060 8.6730 127.8609 54.3566 34.5072 175.6267 54 L 4.1429 8.6628 127.1289 55.2900 42.2097 176.1039 55 K 4.4419 8.5906 125.2268 57.6469 34.1015 176.3515 56 K 4.5843 7.4999 118.3691 55.5144 36.0685 174.5396 57 E 5.1597 8.3105 123.7901 55.6295 32.6095 173.6017 58 Y 4.7421 9.5374 124.9126 55.7229 41.1390 175.5519 59 A 2.9958 8.3951 125.0615 51.5933 19.8716 177.2910 60 D 4.6158 8.1740 119.2635 54.0160 40.8585 175.6554 61 D 4.3107 8.2773 122.7761 53.3734 41.4880 177.0573 *62 E 4.1063 8.7932 115.3309 56.3056 30.4196 176.8085 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 20 P 0.00 4.39 0.00 2.09 2.09 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 21 Q 8.45 4.32 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 22 P 0.00 4.94 0.00 2.09 2.09 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 23 T 8.29 4.94 4.30 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 1.32 0.00 0.00 24 S 8.53 5.18 0.00 3.93 3.83 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 25 F 8.28 5.02 0.00 3.23 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 26 P 0.00 5.00 0.00 2.18 2.14 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 27 L 8.33 4.89 0.00 1.66 1.67 1.00 1.19 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 28 E 8.79 4.16 0.00 1.90 1.61 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 2.37 2.31 0.00 29 H 9.17 4.27 0.00 3.33 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.17 4.38 0.00 3.01 3.21 0.00 0.00 6.96 8.16 0.00 0.00 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 H 8.23 5.30 0.00 3.28 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.68 5.07 0.00 3.02 3.03 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 0.00 0.00 0.00 33 G 8.50 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 34 V 8.56 5.36 2.33 0.00 0.00 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 0.00 0.00 1.20 0.00 0.00 *36 E 8.61 4.25 0.00 2.15 1.93 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 2.33 2.36 0.00 37 D 9.78 4.10 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.21 4.45 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 0.00 0.00 0.00 39 Y 7.61 5.08 0.00 3.11 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.92 4.89 1.93 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 1.32 0.76 1.05 0.00 0.00 41 K 9.18 5.01 0.00 1.70 1.18 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.48 7.81 42 I 8.37 4.75 1.84 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 1.28 0.64 0.87 0.00 0.00 43 Y 8.76 4.95 0.00 1.43 2.31 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 0.00 44 E 8.99 4.85 0.00 1.45 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 45 Y 9.16 5.02 0.00 3.15 3.14 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 46 N 8.46 4.33 0.00 2.70 2.53 0.00 0.00 6.41 6.93 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 47 E 8.42 3.51 0.00 2.02 1.87 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 2.39 2.46 0.00 48 S 8.06 4.10 0.00 4.02 3.87 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 49 R 8.16 4.18 0.00 1.74 1.93 0.00 3.29 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 50 N 7.59 4.17 0.00 2.84 2.83 0.00 0.00 6.88 7.68 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 51 E 8.00 4.92 0.00 1.90 1.78 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 2.24 2.39 0.00 52 V 8.57 5.03 2.19 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 0.96 0.00 0.00 1.16 0.00 0.00 53 K 8.67 4.71 0.00 1.72 1.69 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.50 7.81 54 L 8.66 4.14 0.00 1.69 1.50 0.84 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.59 4.44 0.00 1.69 1.80 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 56 K 7.50 4.58 0.00 1.86 1.66 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.27 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.67 1.59 7.81 57 E 8.31 5.16 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 58 Y 9.54 4.74 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.00 1.06 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 60 D 8.17 4.62 0.00 2.64 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 61 D 8.28 4.31 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.11 0.00 1.74 1.78 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 2.12 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.