NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4783 8.2893 118.1938 53.9962 33.0720 174.3418 2 P 4.5506 0.0000 0.0000 62.5421 32.9941 174.1635 3 R 4.6447 8.3802 119.0558 55.2018 32.9638 177.3427 4 L 5.1459 9.0619 127.1986 53.0940 44.9299 174.6987 5 K 5.1544 9.4271 127.8243 54.7889 34.7992 175.1562 6 V 4.9703 8.7344 119.4744 59.6878 36.1825 174.5044 7 K 5.1405 8.3128 122.7902 53.6598 36.1246 173.7228 8 L 4.9903 8.3071 120.9624 53.7355 44.3073 177.2666 9 V 4.8248 8.9586 117.6878 60.3562 34.1587 175.8867 10 K 4.5863 8.0248 120.4355 54.2314 34.8736 175.2730 11 S 4.5577 8.5257 119.9346 57.0116 63.5031 172.4079 12 P 4.6276 0.0000 0.0000 65.2592 31.4623 177.0108 13 I 3.8156 7.6607 118.9511 63.0305 37.1791 175.7132 14 G 3.8155 9.0073 113.5140 45.3511 0.0000 173.0282 15 Y 4.8890 7.5933 116.7328 55.5427 39.9376 173.6264 16 P 4.3998 0.0000 0.0000 62.9811 32.1589 177.8323 17 K 3.9212 8.8332 120.5976 59.7073 31.4992 178.9856 18 D 4.4966 7.9712 118.1825 56.6298 41.1668 178.0812 19 Q 4.2188 7.8565 115.8021 57.1900 29.0269 177.3593 20 K 4.4530 7.6032 119.2002 57.7863 33.3908 177.7001 21 A 4.2413 7.8654 117.4157 52.8988 18.3434 177.7760 22 A 4.3697 7.9970 121.4837 55.1144 19.6505 180.6694 23 L 4.4816 7.7971 113.2416 55.2663 41.4328 178.6855 24 K 4.1052 8.4108 123.0368 57.8699 33.0639 178.3290 25 A 4.2628 7.8386 120.0852 54.2769 18.8474 178.2045 26 L 4.0487 7.9596 114.2768 55.5389 41.8871 177.5337 27 G 3.9298 7.4142 104.8040 46.3925 0.0000 174.5083 28 L 5.2158 7.2220 120.9523 52.4379 40.5755 176.4938 29 R 4.1104 8.3665 122.3197 57.6667 30.7089 177.0108 30 R 4.6443 7.7736 114.3758 54.0237 33.2267 175.0744 31 L 4.3457 8.0683 118.4716 55.0105 42.6825 178.3584 32 Q 3.6169 8.8239 117.6608 56.6311 27.4072 173.8028 33 Q 4.5491 7.7040 119.8904 55.2743 30.8947 174.2562 34 E 4.9601 8.5350 122.9045 54.9143 33.7681 174.5546 35 R 4.6784 8.7659 123.7044 54.6104 33.4644 174.6827 36 V 4.7499 8.2894 117.9813 60.1976 33.1441 175.0415 37 L 4.8555 9.3541 125.9948 53.1916 46.6035 174.6046 38 E 4.6276 8.5826 120.0669 55.2611 30.9660 175.5182 39 D 4.6660 8.3536 126.7569 54.5379 41.5757 175.4463 40 T 4.7299 8.2499 115.1094 58.4446 72.0781 173.0355 41 P 4.3473 0.0000 0.0000 65.3055 31.2710 177.8561 42 A 4.2980 7.8675 120.1724 54.2642 18.8201 178.8723 43 I 3.5765 8.6269 116.7280 64.5269 37.3807 178.5928 44 R 3.9856 8.4609 118.3446 60.2535 29.8905 179.8068 45 G 3.8580 6.9182 104.0773 47.4908 0.0000 174.5365 46 N 4.7083 8.3583 117.6492 55.1535 39.8615 177.2095 47 V 3.4657 7.7940 118.9576 66.0645 31.0920 177.3458 48 E 3.8387 8.6814 118.5033 59.5853 29.3547 178.3195 49 K 4.4397 8.3671 117.0619 56.5789 32.0864 176.8922 50 V 4.1960 8.0042 110.1548 60.5269 32.7124 176.5156 51 A 4.2631 8.0272 120.7036 52.9193 18.4954 178.3645 52 H 4.7950 7.4153 111.5497 56.1101 30.9181 175.8703 53 L 4.2249 7.6825 119.7233 56.9622 42.1230 176.8471 54 V 4.5887 7.5731 116.7171 61.3106 33.4341 175.3755 55 R 4.5784 8.2071 121.9474 54.3155 33.1049 175.2285 56 V 4.2158 8.4541 124.1984 62.7621 32.9436 174.7327 57 E 4.6637 8.9010 125.2259 55.0346 33.6343 174.0317 58 V 4.6044 8.4197 126.5529 61.8533 32.3719 174.0878 59 V 4.3592 8.1710 132.5771 62.0523 35.3522 176.0500 *60 E 4.1603 8.7543 115.0732 56.4769 30.3181 171.3311 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 8.29 4.48 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 P 0.00 4.55 0.00 2.21 2.26 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 3 R 8.38 4.64 0.00 1.87 1.90 0.00 3.11 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 4 L 9.06 5.15 0.00 1.68 1.47 0.96 0.66 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 5 K 9.43 5.15 0.00 1.79 1.61 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.37 7.81 6 V 8.73 4.97 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 0.60 0.00 0.00 0.97 0.00 0.00 7 K 8.31 5.14 0.00 1.83 1.66 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.18 7.81 8 L 8.31 4.99 0.00 1.86 1.46 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.96 4.82 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 0.71 0.00 0.00 1.02 0.00 0.00 10 K 8.02 4.59 0.00 1.71 1.70 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 11 S 8.53 4.56 0.00 3.89 3.75 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 0.00 0.00 0.00 12 P 0.00 4.63 0.00 2.27 2.17 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 13 I 7.66 3.82 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.33 0.87 0.00 0.00 14 G 9.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.59 4.89 0.00 3.16 2.84 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 0.00 0.00 0.00 16 P 0.00 4.40 0.00 2.21 2.03 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 17 K 8.83 3.92 0.00 1.77 1.90 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.51 7.81 18 D 7.97 4.50 0.00 2.69 2.70 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 19 Q 7.86 4.22 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 20 K 7.60 4.45 0.00 1.96 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.66 7.81 21 A 7.87 4.24 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 22 A 8.00 4.37 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.80 4.48 0.00 1.77 1.68 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.41 4.11 0.00 1.81 1.95 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 25 A 7.84 4.26 1.28 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 0.00 0.00 26 L 7.96 4.05 0.00 1.65 1.73 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.41 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.22 5.22 0.00 1.60 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.37 4.11 0.00 1.80 1.98 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 R 7.77 4.64 0.00 1.77 1.84 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 31 L 8.07 4.35 0.00 1.71 1.58 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.82 3.62 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 33 Q 7.70 4.55 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 34 E 8.54 4.96 0.00 1.82 1.86 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 2.20 2.41 0.00 35 R 8.77 4.68 0.00 1.88 1.73 0.00 3.07 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 36 V 8.29 4.75 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 0.76 0.00 0.00 0.93 0.00 0.00 37 L 9.35 4.86 0.00 1.45 1.53 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.58 4.63 0.00 1.95 1.82 0.00 0.00 0.00 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 2.35 0.00 39 D 8.35 4.67 0.00 2.72 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 40 T 8.25 4.73 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 1.23 0.00 0.00 41 P 0.00 4.35 0.00 2.17 2.14 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.87 4.30 1.28 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 0.00 0.00 43 I 8.63 3.58 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.90 0.00 0.00 44 R 8.46 3.99 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 45 G 6.92 3.86 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 0.00 0.00 0.00 46 N 8.36 4.71 0.00 2.78 2.83 0.00 0.00 6.52 8.40 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 47 V 7.79 3.47 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 1.00 0.00 0.00 0.96 0.00 0.00 48 E 8.68 3.84 0.00 2.02 2.01 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 2.50 2.42 0.00 49 K 8.37 4.44 0.00 1.64 1.75 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 50 V 8.00 4.20 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 0.64 0.00 0.00 0.96 0.00 0.00 51 A 8.03 4.26 1.28 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 0.00 0.00 52 H 7.42 4.79 0.00 3.13 3.36 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.68 4.22 0.00 1.70 1.88 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.57 4.59 2.17 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 0.99 0.00 0.00 0.97 0.00 0.00 55 R 8.21 4.58 0.00 1.75 1.78 0.00 3.17 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 V 8.45 4.22 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 0.73 0.00 0.00 0.91 0.00 0.00 57 E 8.90 4.66 0.00 2.06 1.77 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 0.00 2.21 2.25 0.00 58 V 8.42 4.60 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 8.17 4.36 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 0.87 0.00 0.00 0.93 0.00 0.00 *60 E 8.75 4.16 0.00 1.77 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.