NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3071 8.1627 120.3509 50.7867 34.3000 177.4942 2 E 3.8085 8.3172 121.5215 57.4777 30.8055 175.4867 3 K 4.1433 9.9044 118.7776 58.9715 33.0070 179.1272 4 V 3.6143 7.6858 118.0496 66.2231 31.7381 177.8643 5 Q 4.2992 8.1872 118.5288 58.3931 28.5555 178.5710 6 Y 4.1765 7.8343 120.0227 60.2814 38.9689 177.5644 7 L 3.4253 7.6273 120.0927 57.7250 41.3466 179.4316 8 T 3.8214 8.2247 110.1830 64.8901 68.5002 176.4999 9 R 3.9066 7.7816 121.1656 58.9437 30.1293 178.4204 10 S 3.9693 7.6592 112.5700 61.0144 62.2400 175.7372 11 A 3.9506 7.7758 123.3945 54.8926 18.1352 179.4209 12 I 3.8308 7.5004 117.4646 64.3744 37.2787 178.2084 13 R 4.1140 7.5521 119.1880 58.4507 30.1684 177.5953 14 R 4.3692 7.5712 112.0826 56.4314 30.1789 177.0099 15 A 4.6520 8.1267 121.4998 52.0834 19.3344 177.7307 16 S 4.4417 7.9098 112.9956 60.2101 62.9067 174.6179 17 T 4.6212 7.4181 110.9655 61.1370 68.8859 174.0571 18 I 4.7814 7.4558 120.7254 61.0666 41.4014 175.8187 19 E 4.7445 8.2118 118.9756 55.1481 29.9507 173.8971 20 M 4.8766 7.7002 125.2979 53.9193 36.4856 174.2814 21 P 4.5816 0.0000 0.0000 62.9841 30.6796 176.4638 22 Q 3.5067 7.8223 120.1713 57.2364 30.0683 175.2045 23 Q 3.8269 7.8375 114.2000 59.6496 29.0094 179.7955 24 A 3.9991 7.9608 122.1639 54.5206 18.5593 179.1777 25 R 3.7852 8.5398 117.7158 59.8351 30.0645 178.7024 26 Q 3.9513 7.9452 116.8644 59.1014 28.8455 178.6764 27 K 3.9342 8.1095 119.3136 59.5632 32.0302 179.4889 28 L 3.9944 8.3805 119.4402 57.8700 41.7583 179.2931 29 Q 4.0804 7.9272 117.7794 59.1803 28.8165 178.7138 30 N 4.3302 8.0113 117.4182 56.8282 39.0844 176.7475 31 L 4.0472 8.2213 120.5539 58.1160 41.7044 179.1481 32 F 4.2629 8.9722 120.7941 61.1235 39.3645 176.7841 33 I 3.3003 7.9308 118.9430 64.6743 37.1615 177.8386 34 N 4.2643 8.0248 116.8347 56.2295 36.8710 176.8403 35 F 4.0878 8.3436 122.9127 60.9390 39.4115 176.9386 36 C 3.8191 8.1005 116.6884 62.6157 27.9799 175.6696 37 L 3.8429 7.5980 120.4388 58.2617 41.3242 179.9519 38 I 3.6129 7.3617 118.7582 63.9382 36.9423 178.3685 39 L 3.6283 7.6657 121.5605 58.2569 41.9981 179.1346 40 I 3.6974 8.1297 119.9454 64.9153 36.9027 177.6531 41 C 4.1510 7.9448 117.8711 62.1738 27.7208 175.6424 42 L 3.9534 7.8778 122.2267 58.4796 41.6677 179.5156 43 L 4.0666 7.8139 119.0650 57.2526 41.6090 178.9226 44 L 3.9498 8.1988 118.5592 58.3570 41.6576 180.0306 45 I 3.6947 7.7460 119.2861 64.5845 36.8169 177.8654 46 C 4.0077 7.7531 116.1571 63.0530 28.2988 175.7060 47 I 3.8430 7.7983 120.3899 64.7501 36.7565 178.0668 48 I 3.6222 7.7390 120.0392 64.6884 35.7761 178.5344 49 V 3.6091 8.0368 118.9502 66.4244 30.8919 177.8582 50 M 4.3085 7.7304 117.5901 57.9838 31.9867 178.2912 51 L 4.0674 7.8860 120.9507 57.8345 41.8503 177.7398 *52 L 4.1390 7.1783 120.2559 54.3856 41.6402 179.7603 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 M 8.16 4.31 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 E 8.32 3.81 0.00 2.29 2.00 0.00 0.00 0.00 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 2.41 0.00 3 K 9.90 4.14 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 V 7.69 3.61 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 0.98 0.00 0.00 0.95 0.00 0.00 5 Q 8.19 4.30 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 6 Y 7.83 4.18 0.00 3.10 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.43 0.00 1.76 1.60 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.22 3.82 4.21 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 1.19 0.00 0.00 9 R 7.78 3.91 0.00 2.21 1.92 0.00 3.23 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 10 S 7.66 3.97 0.00 3.57 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.78 3.95 1.31 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 0.00 0.00 12 I 7.50 3.83 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.89 0.00 0.00 13 R 7.55 4.11 0.00 1.83 2.07 0.00 3.40 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 14 R 7.57 4.37 0.00 1.98 1.99 0.00 3.11 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 15 A 8.13 4.65 1.31 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 0.00 0.00 16 S 7.91 4.44 0.00 3.86 3.91 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 0.00 0.00 0.00 17 T 7.42 4.62 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 18 I 7.46 4.78 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.89 0.00 0.00 19 E 8.21 4.74 0.00 2.00 1.89 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 2.16 2.31 0.00 20 M 7.70 4.88 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 21 P 0.00 4.58 0.00 2.39 2.13 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 22 Q 7.82 3.51 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 23 Q 7.84 3.83 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 24 A 7.96 4.00 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 25 R 8.54 3.79 0.00 1.79 1.99 0.00 3.26 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 26 Q 7.95 3.95 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 27 K 8.11 3.93 0.00 2.06 1.88 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 28 L 8.38 3.99 0.00 1.88 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.93 4.08 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 30 N 8.01 4.33 0.00 2.83 2.83 0.00 0.00 7.31 8.03 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 31 L 8.22 4.05 0.00 1.90 1.74 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.97 4.26 0.00 3.12 3.36 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 33 I 7.93 3.30 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 0.88 0.00 0.00 34 N 8.02 4.26 0.00 3.02 3.10 0.00 0.00 6.83 7.75 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 35 F 8.34 4.09 0.00 3.27 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 3.82 0.00 2.74 2.68 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 37 L 7.60 3.84 0.00 1.72 1.67 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.36 3.61 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.72 0.00 0.00 39 L 7.67 3.63 0.00 1.40 1.57 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.13 3.70 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.87 0.00 0.00 41 C 7.94 4.15 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.88 3.95 0.00 1.67 1.71 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.81 4.07 0.00 1.85 1.63 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.20 3.95 0.00 1.67 1.73 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.75 3.69 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.90 0.00 0.00 46 C 7.75 4.01 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.91 0.00 0.00 48 I 7.74 3.62 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.90 0.00 0.00 49 V 8.04 3.61 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 0.98 0.00 0.00 0.96 0.00 0.00 50 M 7.73 4.31 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 51 L 7.89 4.07 0.00 1.72 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *52 L 7.18 4.14 0.00 1.38 1.48 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.