NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2758 8.3293 121.7108 53.9634 31.2698 174.1993 3 V 4.2728 7.7640 116.5266 59.2600 34.0296 170.7181 4 V 4.4659 8.1110 117.1220 59.2446 35.7301 176.0944 5 R 4.5540 8.3590 120.4372 54.3524 31.0550 176.4512 6 T 4.1231 8.3058 111.5969 61.3333 69.6595 173.2428 7 K 4.5573 8.3210 122.7985 54.5979 34.5821 174.8680 8 N 4.9240 8.6354 123.1197 51.9078 40.0879 174.8519 9 V 4.4779 8.1078 114.9296 59.5808 35.4757 175.0509 10 T 4.4819 8.2299 112.7961 59.5958 69.8779 174.2371 11 L 4.3261 8.3029 126.3802 54.7421 42.6831 176.6890 12 K 4.8811 8.3840 119.2934 54.1437 36.7492 174.0560 13 P 5.8500 0.0000 0.0000 62.1161 32.6718 175.1341 *15 D 4.5692 8.4671 120.3989 52.7912 40.6387 176.6535 16 V 3.6613 8.2554 118.8924 64.8266 30.9472 178.1014 17 E 3.8548 8.1427 119.6761 59.2349 29.6542 178.3755 18 E 3.8720 9.2476 118.9600 59.2269 29.2520 179.2343 19 A 3.6431 7.4431 119.9630 54.9367 18.4134 179.2650 20 R 3.8545 7.7194 116.2797 59.4261 30.4106 178.2095 21 L 4.0322 7.7653 120.1140 57.9435 41.9473 179.7144 22 Q 3.7924 7.4865 115.5962 56.2132 28.4592 178.3214 *24 E 4.1820 8.1434 121.2194 56.5337 31.5666 178.2991 25 L 3.8834 7.8068 117.1169 57.9637 41.5786 178.5513 26 L 3.9946 7.9721 115.1606 54.6652 41.4577 177.0289 27 G 3.9858 7.4888 106.6396 46.6599 0.0000 173.2165 28 H 4.9046 7.8518 114.2430 54.0153 31.0165 175.0068 29 D 4.7100 8.3524 119.2783 55.5370 41.2421 175.8491 30 F 5.7198 7.2640 112.6195 56.2140 41.4773 173.2196 31 F 4.9942 9.7437 119.8825 57.3033 43.0364 172.5397 32 I 5.1899 7.7119 126.5671 59.9617 39.4255 174.2220 33 Y 4.7012 8.4934 123.3342 56.8830 42.1219 172.7885 34 T 4.8136 8.7913 116.2982 61.8148 70.7350 174.0954 35 D 4.9084 9.1929 127.5767 53.8690 41.8981 176.9028 36 S 4.3875 9.1125 119.5615 59.5287 63.1150 174.1139 37 E 4.4211 8.6994 122.7556 57.3390 30.3440 175.9878 38 D 4.7048 7.5643 114.2920 51.9451 40.6438 176.2635 39 G 3.9026 8.6858 106.8363 46.4055 0.0000 173.9837 40 A 4.3072 7.3599 121.2324 51.5634 20.3967 177.3363 41 T 4.4973 8.2505 116.2277 62.8997 69.8753 174.1436 42 N 5.3994 9.2982 124.6049 51.3848 42.6421 174.1251 43 I 5.0989 8.7146 121.8253 59.6102 40.6008 174.1073 44 L 5.1413 9.4410 131.1319 54.5736 43.4013 175.1449 45 Y 5.4809 9.1134 123.3725 55.6930 42.0876 173.6284 46 R 4.5679 8.8143 121.9704 55.6936 30.8253 176.8342 47 R 4.4705 9.0350 126.7357 55.5425 31.5855 176.7228 48 E 4.1469 8.8426 117.7191 59.9285 29.3899 179.0554 49 D 4.5190 7.9841 114.4928 54.2992 39.3271 176.9220 50 G 3.9467 7.8694 108.9230 45.3755 0.0000 173.6040 51 N 4.6969 8.7772 117.6685 52.9735 40.3404 173.7176 52 L 4.8150 8.2830 120.0015 53.4236 43.3065 176.5750 53 G 3.9448 8.7075 110.1561 44.0743 0.0000 171.2137 54 L 5.6360 8.4173 121.0156 53.1817 45.5895 175.4606 55 I 4.6745 8.9205 125.2631 59.5248 40.5027 174.1533 56 E 4.9726 8.9602 125.8091 54.6349 31.6099 175.1084 57 A 4.9083 8.9033 127.4726 50.3157 21.7495 175.4898 58 K 4.6182 8.1388 117.3783 55.5398 35.3714 175.6109 59 L 4.1335 8.5206 121.2306 55.3230 41.5367 177.0871 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 2 Q 8.33 4.28 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 3 V 7.76 4.27 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 4 V 8.11 4.47 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 5 R 8.36 4.55 0.00 1.91 1.92 0.00 3.04 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 1.52 1.60 0.00 6 T 8.31 4.12 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 7 K 8.32 4.56 0.00 1.71 1.71 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.42 7.81 8 N 8.64 4.92 0.00 2.73 2.72 0.00 0.00 6.83 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 9 V 8.11 4.48 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 0.76 0.00 0.00 0.91 0.00 0.00 10 T 8.23 4.48 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 1.21 0.00 0.00 11 L 8.30 4.33 0.00 1.55 1.64 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.38 4.88 0.00 1.75 1.69 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 13 P 0.00 5.85 0.00 2.13 2.09 0.00 3.45 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.84 0.00 *15 D 8.47 4.57 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.26 3.66 2.18 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 0.81 0.00 0.00 1.00 0.00 0.00 17 E 8.14 3.85 0.00 2.03 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 0.00 2.32 2.36 0.00 18 E 9.25 3.87 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.81 0.00 19 A 7.44 3.64 0.70 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 0.00 0.00 20 R 7.72 3.85 0.00 1.85 2.05 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 21 L 7.77 4.03 0.00 1.71 1.67 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.49 3.79 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.17 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 *24 E 8.14 4.18 0.00 2.09 1.96 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 2.50 2.21 0.00 25 L 7.81 3.88 0.00 1.67 1.64 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.97 3.99 0.00 1.42 1.13 0.89 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.49 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 28 H 7.85 4.90 0.00 3.03 2.92 0.00 5.71 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 29 D 8.35 4.71 0.00 2.98 2.92 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 30 F 7.26 5.72 0.00 3.29 3.18 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 0.00 31 F 9.74 4.99 0.00 3.14 3.05 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 32 I 7.71 5.19 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 0.89 0.00 0.00 33 Y 8.49 4.70 0.00 3.30 3.01 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 0.00 0.00 0.00 34 T 8.79 4.81 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 1.24 0.00 0.00 35 D 9.19 4.91 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.11 4.39 0.00 4.07 4.04 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 0.00 0.00 0.00 37 E 8.70 4.42 0.00 2.02 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 0.00 2.26 2.24 0.00 38 D 7.56 4.70 0.00 2.80 2.80 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 0.00 0.00 0.00 39 G 8.69 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 0.00 0.00 0.00 40 A 7.36 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.50 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 1.13 0.00 0.00 42 N 9.30 5.40 0.00 1.44 2.39 0.00 0.00 6.32 5.12 0.00 0.00 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 I 8.71 5.10 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.94 0.00 0.00 44 L 9.44 5.14 0.00 2.09 1.86 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.11 5.48 0.00 3.22 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 R 8.81 4.57 0.00 2.02 1.99 0.00 3.31 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 47 R 9.03 4.47 0.00 2.01 1.91 0.00 3.19 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.38 0.00 48 E 8.84 4.15 0.00 2.03 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 2.46 2.28 0.00 49 D 7.98 4.52 0.00 2.79 2.80 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 0.00 0.00 0.00 50 G 7.87 3.95 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 0.00 0.00 0.00 51 N 8.78 4.70 0.00 2.76 2.72 0.00 0.00 6.76 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.28 4.82 0.00 1.44 1.51 0.89 0.77 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 53 G 8.71 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.42 5.64 0.00 1.67 1.57 1.17 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.92 4.67 1.87 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.88 0.00 0.00 56 E 8.96 4.97 0.00 1.81 1.84 0.00 0.00 0.00 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 2.27 0.00 57 A 8.90 4.91 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.14 4.62 0.00 1.71 1.72 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.38 7.81 59 L 8.52 4.13 0.00 1.64 1.62 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.