NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3055 8.4293 116.7516 55.1318 31.2854 176.6176 4 T 4.6012 8.6274 109.7115 59.8069 72.9836 173.2630 5 L 4.7666 9.4200 121.9837 53.4101 45.0398 176.8790 6 C 4.8627 8.7424 120.7323 54.3187 40.2413 177.1204 7 G 3.5367 8.9217 109.5748 46.5039 0.0000 176.4924 8 A 4.0220 8.6515 124.7042 54.8281 17.9737 179.4278 9 E 3.8558 8.0230 116.7733 59.3769 29.4578 179.2088 10 L 3.8426 7.6921 119.8321 58.1145 42.1464 179.0111 11 V 3.3084 7.6223 117.7944 66.0744 31.4883 177.5197 12 D 4.3599 8.3415 118.6781 57.4525 40.6314 178.8226 13 A 3.9584 8.0605 121.0775 55.1968 18.3909 179.7356 14 L 3.7391 7.9565 117.7954 57.8637 41.5059 179.7958 15 Q 4.1141 8.1973 118.5128 58.7880 28.3981 178.6229 16 F 3.9528 8.1364 120.9258 61.2256 39.5805 177.2772 17 V 3.8590 7.9140 116.7866 66.2375 31.8103 177.0198 18 C 4.4783 8.6076 116.3093 56.8287 39.9226 175.3685 19 G 3.6252 8.7121 108.6346 46.6798 0.0000 177.3970 20 D 4.5043 8.8360 124.3210 56.5871 40.8006 177.5890 21 R 3.8622 7.7224 117.8414 57.1156 30.3902 177.6887 22 G 3.8120 9.3749 104.7896 45.1200 0.0000 171.5697 23 F 5.1038 6.9912 111.8133 56.0321 40.1451 172.2716 24 Y 5.0172 8.0857 118.9141 55.6102 41.1779 174.9237 25 F 4.5442 9.1132 116.8768 57.5307 41.1088 175.1597 26 N 5.4637 8.3937 117.4664 51.3124 40.0427 174.9809 27 K 4.5468 8.6443 125.3628 55.5283 33.0989 174.9846 28 P 4.5548 0.0000 0.0000 63.1175 31.4963 176.1835 29 T 4.3490 8.5492 110.8949 60.4292 70.9483 174.2910 30 G 4.1696 8.1876 109.1885 45.2280 0.0000 172.4628 31 Y 3.9206 8.5217 122.7078 58.3066 39.4553 175.7756 32 G 3.7863 7.6059 113.9995 46.8866 0.0000 173.7106 33 S 4.7935 7.6606 116.6406 57.6697 62.8788 174.5100 34 S 4.2464 8.8338 110.8575 60.9894 63.3903 175.0297 35 S 4.4477 7.6460 115.2038 56.5661 64.1681 174.1665 *38 A 4.2265 8.0352 124.3848 51.8691 19.0981 176.1833 39 P 4.5491 0.0000 0.0000 58.3653 33.6056 176.8707 40 Q 4.3427 8.6669 129.5459 57.0028 29.4159 175.1990 41 T 4.7407 8.3317 120.3646 60.2554 71.4078 172.1603 42 G 4.1425 9.4700 115.2857 45.5566 0.0000 176.2529 43 I 3.3739 8.3820 121.6754 63.3895 37.7195 178.1824 44 V 3.2570 7.5000 118.9201 65.8815 31.4101 177.4698 45 D 4.3182 7.7174 117.9348 57.5943 40.5350 178.5280 46 E 4.1863 7.8381 117.3971 58.3884 29.8622 177.0175 47 C 4.9237 8.5942 114.6122 56.6348 42.9289 174.7347 48 C 4.6412 7.9065 116.9435 57.5947 44.2447 174.7553 49 F 4.5970 8.3920 117.5646 59.6160 38.6292 174.9128 50 R 4.7749 7.3816 114.1710 54.0864 32.2640 173.9699 51 S 4.5202 8.4816 112.1981 57.5284 63.1416 171.9457 52 C 5.1018 8.4872 120.6947 53.1463 41.2637 172.7168 53 D 4.9622 8.0938 119.3175 51.1288 42.7865 176.5850 54 L 3.9148 8.3910 120.6226 58.7774 41.6062 179.2200 55 R 3.9335 7.9378 116.2082 58.9347 30.3816 178.6751 56 R 4.0210 8.3543 118.6636 59.3769 30.2152 178.2007 57 L 4.0405 7.8575 120.1648 58.3302 42.0773 178.5749 58 E 4.0343 8.4539 118.7800 58.9930 29.3230 178.1310 59 M 4.1671 7.6770 117.2010 57.1206 32.1610 176.7820 60 Y 3.5654 7.6184 116.5589 56.6974 38.4752 174.2642 61 C 4.8792 7.3295 118.5187 56.4955 40.9076 173.7360 62 A 4.5779 8.5168 125.0286 51.2208 19.0991 175.1763 63 P 4.5742 0.0000 0.0000 62.9078 31.7420 176.0983 64 L 4.4344 8.7552 118.4156 55.0874 41.9904 176.0648 65 K 4.2374 7.9404 125.3303 54.9388 30.9588 178.2380 66 P 4.5227 0.0000 0.0000 62.4697 31.9928 174.8486 67 A 4.5712 8.4719 123.1710 51.9160 21.7811 177.1990 68 K 4.2263 8.6909 123.4211 54.6222 32.5657 172.8070 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 3 E 8.43 4.31 0.00 2.01 1.67 0.00 0.00 0.00 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 1.88 0.00 4 T 8.63 4.60 4.49 0.00 0.00 0.00 0.00 0.00 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 5 L 9.42 4.77 0.00 1.52 1.52 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.74 4.86 0.00 2.76 2.90 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 7 G 8.92 3.54 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 0.00 0.00 0.00 8 A 8.65 4.02 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 9 E 8.02 3.86 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 10 L 7.69 3.84 0.00 1.81 1.80 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.62 3.31 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 1.14 0.00 0.00 1.08 0.00 0.00 12 D 8.34 4.36 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.06 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.96 3.74 0.00 0.91 0.57 0.30 0.83 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 15 Q 8.20 4.11 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 16 F 8.14 3.95 0.00 3.13 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 17 V 7.91 3.86 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 0.91 0.00 0.00 1.07 0.00 0.00 18 C 8.61 4.48 0.00 3.30 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.50 0.00 2.65 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 21 R 7.72 3.86 0.00 2.09 2.14 0.00 3.60 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 22 G 9.37 3.81 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 0.00 0.00 0.00 23 F 6.99 5.10 0.00 2.90 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 24 Y 8.09 5.02 0.00 3.04 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 25 F 9.11 4.54 0.00 3.25 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.39 5.46 0.00 2.74 2.85 0.00 0.00 6.87 7.61 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 27 K 8.64 4.55 0.00 1.97 1.82 0.00 1.34 0.00 0.00 0.96 0.00 0.00 2.81 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.44 1.46 7.81 28 P 0.00 4.55 0.00 1.96 1.91 0.00 3.71 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 29 T 8.55 4.35 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 1.29 0.00 0.00 30 G 8.19 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 0.00 0.00 0.00 0.00 31 Y 8.52 3.92 0.00 2.98 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 32 G 7.61 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.79 0.00 3.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.83 4.25 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.65 4.45 0.00 3.88 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 *38 A 8.04 4.23 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 39 P 0.00 4.55 0.00 2.10 1.76 0.00 3.70 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 2.04 2.14 0.00 40 Q 8.67 4.34 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 41 T 8.33 4.74 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 1.29 0.00 0.00 42 G 9.47 4.14 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 0.00 0.00 0.00 43 I 8.38 3.37 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.12 0.59 0.00 0.00 44 V 7.50 3.26 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 0.01 0.00 0.00 0.79 0.00 0.00 45 D 7.72 4.32 0.00 3.00 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 46 E 7.84 4.19 0.00 2.00 2.06 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 2.40 2.51 0.00 47 C 8.59 4.92 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 7.91 4.64 0.00 2.89 2.93 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 49 F 8.39 4.60 0.00 3.19 2.96 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 0.00 0.00 0.00 50 R 7.38 4.77 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 51 S 8.48 4.52 0.00 3.86 3.80 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 52 C 8.49 5.10 0.00 3.08 3.21 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 0.00 53 D 8.09 4.96 0.00 2.94 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 54 L 8.39 3.91 0.00 1.77 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.94 3.93 0.00 1.82 1.98 0.00 3.43 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 56 R 8.35 4.02 0.00 2.02 2.24 0.00 3.22 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 57 L 7.86 4.04 0.00 1.85 1.87 0.88 0.82 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 58 E 8.45 4.03 0.00 2.13 1.92 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 2.29 2.34 0.00 59 M 7.68 4.17 0.00 1.79 2.01 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 2.85 2.51 0.00 60 Y 7.62 3.57 0.00 2.99 2.77 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 0.00 0.00 0.00 61 C 7.33 4.88 0.00 2.92 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 62 A 8.52 4.58 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.57 0.00 1.97 2.06 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 64 L 8.76 4.43 0.00 1.69 1.75 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.94 4.24 0.00 1.78 2.11 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.45 7.81 66 P 0.00 4.52 0.00 2.07 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 67 A 8.47 4.57 1.18 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 0.00 0.00 68 K 8.69 4.23 0.00 1.75 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.