NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2829 8.1744 115.2422 60.7005 68.0092 170.9193 2 T 3.9679 7.3955 123.0733 60.7271 72.5292 171.3292 3 T 4.3017 8.4779 110.8784 60.5440 72.1043 173.2000 4 T 4.3026 8.5175 118.9974 62.8184 67.8175 173.7827 5 R 4.6899 8.1053 122.3846 54.4607 33.6416 174.3180 6 Y 5.7102 8.6344 115.8098 54.9535 39.3579 175.8785 7 V 4.1214 8.1397 123.8511 60.6914 33.7869 175.5135 8 E 4.6490 8.6634 120.7922 56.2860 30.0489 177.6354 9 V 4.3226 8.0374 117.4370 59.3870 32.7218 175.9406 *11 G 4.0471 7.8849 115.1746 44.2144 0.0000 170.8246 12 K 4.4463 8.2827 121.7944 54.8117 40.3500 177.8486 13 K 5.0065 7.9643 123.3611 58.3784 36.0066 174.9178 14 I 4.2125 7.5929 116.4736 60.6462 40.8520 172.6554 15 L 4.5694 8.5460 129.5104 53.5205 43.4455 175.4978 16 Q 4.6969 8.0939 122.1258 54.2007 33.4000 175.9297 17 T 4.4153 8.0193 114.3415 61.2731 67.4838 173.7980 18 T 4.4631 7.8555 115.7870 62.4698 70.0209 174.0592 19 T 4.7691 7.9709 112.5654 60.4276 72.1798 174.0108 20 T 4.1812 8.2073 110.6237 61.8811 68.9697 173.7217 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 1 T 8.17 4.28 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 2 T 7.40 3.97 4.23 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 1.20 0.00 0.00 3 T 8.48 4.30 4.23 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 1.20 0.00 0.00 4 T 8.52 4.30 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 5 R 8.11 4.69 0.00 1.84 2.00 0.00 2.90 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 6 Y 8.63 5.71 0.00 2.85 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 7 V 8.14 4.12 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 0.88 0.00 0.00 0.95 0.00 0.00 8 E 8.66 4.65 0.00 2.11 2.04 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 2.29 2.34 0.00 9 V 8.04 4.32 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 0.87 0.00 0.00 0.99 0.00 0.00 *11 G 7.88 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.28 4.45 0.00 1.69 1.56 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 13 K 7.96 5.01 0.00 1.84 1.81 0.00 0.91 0.00 0.00 1.95 0.00 0.00 2.40 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.10 1.11 7.81 14 I 7.59 4.21 1.92 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 1.24 1.13 0.93 0.00 0.00 15 L 8.55 4.57 0.00 1.20 1.34 -0.19 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.09 4.70 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 17 T 8.02 4.42 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 18 T 7.86 4.46 4.33 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 0.00 0.00 0.00 1.20 0.00 0.00 19 T 7.97 4.77 4.23 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 1.20 0.00 0.00 20 T 8.21 4.18 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.