NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7923 8.3393 109.7365 44.7369 0.0000 173.2476 *4 P 4.1188 0.0000 0.0000 62.6659 32.3837 175.9510 5 V 4.5563 7.7861 112.8900 59.6642 36.1742 173.8755 6 E 4.3370 8.7559 123.1108 54.3727 32.3416 174.5136 7 F 5.3839 8.3565 125.3643 56.4188 40.2710 174.7789 8 N 5.1107 8.6724 121.7553 51.6855 40.3759 174.9940 9 T 4.5121 8.6953 110.9242 61.5050 70.4432 174.0430 10 L 4.9868 7.5454 120.6534 53.1137 46.1785 175.9604 11 I 4.1455 8.6617 123.4471 60.4724 38.3507 175.2629 12 V 4.6673 8.4659 128.7308 61.3217 32.6408 174.9170 13 T 4.3461 8.7061 120.2438 59.6185 69.6594 176.4035 14 K 4.2751 7.9921 129.2878 56.0222 31.8064 178.7941 15 G 4.2461 8.2713 104.7366 46.0653 0.0000 174.6715 16 K 4.4821 7.4874 116.5825 56.1972 33.1151 176.2900 17 E 4.5956 7.8492 117.9591 56.5350 31.6371 175.4173 18 V 4.5940 8.7760 121.0074 61.1059 34.7809 174.3956 19 R 4.5740 8.8519 124.7702 55.3742 30.1522 176.2687 20 I 4.2885 7.9758 115.0702 60.9028 39.5121 175.1773 21 D 4.2874 7.0702 121.5441 53.5855 42.7931 174.5583 22 E 4.0310 8.5642 113.8995 59.1041 30.2087 177.4369 23 N 4.9707 7.8896 114.4275 51.9623 41.1526 173.5505 24 I 4.6548 7.1730 113.7387 59.2013 40.2055 174.8618 25 F 5.2698 8.6603 124.2118 55.5248 43.1099 173.8789 26 T 5.1868 9.0926 109.0639 60.2535 72.0776 172.8437 27 L 5.0513 9.3266 126.3048 53.2774 45.6847 174.2852 28 E 5.1031 8.9710 126.5832 54.5335 31.3949 174.8795 29 K 4.8134 10.2241 125.8096 54.5001 36.1947 174.5579 30 D 4.6499 8.6558 122.1883 54.7319 42.0053 177.3348 31 G 3.6164 8.9362 110.4661 45.3326 0.0000 172.8446 32 Y 3.8353 7.3197 116.6975 57.2618 38.0277 175.1987 33 R 4.9950 8.6732 123.3021 54.8065 32.7615 176.1732 34 V 4.7395 9.2659 121.9185 61.5957 33.9354 173.9750 35 Y 5.0567 8.6980 124.7986 55.5662 41.0446 175.3347 36 P 4.3771 0.0000 0.0000 62.6158 31.7515 175.6726 *38 E 4.2488 8.5309 118.2561 56.2351 31.0918 175.8887 39 I 4.5626 7.5025 118.8710 59.6873 38.5511 173.9767 40 P 5.2132 0.0000 0.0000 62.4698 32.3747 175.3411 *42 D 4.6352 8.4407 119.3771 54.4426 42.7880 174.8706 43 V 4.9858 8.4098 114.4044 59.6381 35.4082 174.9705 44 R 4.8245 8.9926 120.4882 54.5893 32.6108 176.2799 45 K 4.5021 8.7324 120.5833 58.7733 32.5426 176.1346 46 T 4.7936 7.3067 109.5388 60.4068 70.4731 172.8266 47 K 4.0697 8.5629 119.8038 58.5851 32.2298 177.2806 48 F 4.4852 7.7852 117.1779 57.3997 39.3918 175.4128 *50 E 3.9649 8.0869 120.5439 55.3781 30.6700 174.7112 51 K 3.6706 8.5888 126.7539 57.4621 32.5374 176.5728 52 S 4.2665 9.3460 120.6348 57.7495 63.4077 173.5628 53 G 4.2420 6.6719 104.2481 46.9163 0.0000 170.9325 54 T 5.2233 8.0334 115.2843 61.9452 72.5186 173.4678 55 A 5.2632 8.2145 124.5171 51.1622 23.7071 174.7442 56 E 4.8315 9.1483 117.7033 54.5778 33.5946 175.8449 57 V 4.0362 8.6939 125.4504 63.6792 31.4980 175.4649 58 Q 4.5137 9.4676 126.9026 57.0520 30.2772 175.9035 59 K 4.6922 7.7400 118.1723 54.9267 36.0894 174.6603 60 L 5.1459 8.3332 126.7535 53.5359 45.1887 175.1131 61 Q 4.6763 9.0090 122.7393 54.2606 32.3897 173.8196 62 W 5.7151 8.3530 120.2133 55.3320 32.1525 175.0340 63 E 4.6512 9.9181 119.9587 57.0874 33.3045 175.1384 64 E 4.0728 10.1080 125.2925 58.2976 26.8296 174.6685 65 G 3.3500 7.9496 103.3248 45.8893 0.0000 171.0374 66 R 4.9645 7.7064 117.5016 54.3396 33.7064 174.4306 67 T 5.3688 9.2854 114.9855 60.4949 71.0800 172.2977 68 I 5.1319 8.8765 128.5817 59.2585 40.9034 174.0426 69 I 4.9405 9.3012 123.2505 59.5268 40.9039 174.8184 70 T 5.1567 8.9433 120.7519 62.2022 71.0587 172.6977 71 Y 5.2708 8.3745 124.7657 54.9202 41.9790 174.5550 72 K 4.8722 8.8920 122.4751 54.6383 34.0684 175.0179 73 L 4.9132 9.4116 131.8127 55.5519 42.0438 176.5558 74 T 4.6013 8.7615 117.0902 61.7258 69.9154 174.6785 75 S 4.7184 7.4464 115.3619 58.1448 65.4737 175.3613 76 L 4.9669 8.6285 120.7302 54.9275 43.9644 174.3667 77 H 4.1458 8.9582 124.0520 57.5155 29.1615 178.1870 78 S 4.3516 5.8100 108.5201 57.2185 61.7400 174.9658 79 V 3.7892 7.3170 118.9848 60.6702 30.7826 176.6082 80 N 4.4995 8.3856 124.4175 52.9421 39.6568 174.7240 81 L 4.1711 8.3432 120.6163 56.0940 40.4173 176.9619 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 G 8.34 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 *4 P 0.00 4.12 0.00 2.12 2.05 0.00 3.72 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 1.85 1.95 0.00 5 V 7.79 4.56 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 0.58 0.00 0.00 0.56 0.00 0.00 6 E 8.76 4.34 0.00 1.84 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 7 F 8.36 5.38 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 8 N 8.67 5.11 0.00 1.47 2.50 0.00 0.00 6.94 7.16 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 9 T 8.70 4.51 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 10 L 7.55 4.99 0.00 1.48 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.66 4.15 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.48 0.45 0.00 0.00 12 V 8.47 4.67 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 0.83 0.00 0.00 0.93 0.00 0.00 13 T 8.71 4.35 4.46 0.00 0.00 0.00 0.00 0.00 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 14 K 7.99 4.28 0.00 1.83 1.88 0.00 2.09 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.36 7.81 15 G 8.27 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 0.00 0.00 0.00 0.00 16 K 7.49 4.48 0.00 1.77 1.92 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 17 E 7.85 4.60 0.00 2.17 2.20 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 2.39 2.05 0.00 18 V 8.78 4.59 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 0.97 0.00 0.00 0.97 0.00 0.00 19 R 8.85 4.57 0.00 1.53 1.52 0.00 3.05 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 20 I 7.98 4.29 1.80 0.00 0.00 0.78 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 0.55 0.85 0.00 0.00 21 D 7.07 4.29 0.00 2.46 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.03 0.00 2.08 1.99 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 2.23 2.20 0.00 23 N 7.89 4.97 0.00 2.63 3.00 0.00 0.00 6.69 7.32 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 24 I 7.17 4.65 1.71 0.00 0.00 0.76 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 0.44 0.82 0.00 0.00 25 F 8.66 5.27 0.00 1.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.09 5.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 27 L 9.33 5.05 0.00 1.90 1.57 0.93 0.71 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 28 E 8.97 5.10 0.00 2.05 1.85 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 2.24 2.37 0.00 29 K 10.22 4.81 0.00 1.85 1.74 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.75 7.81 30 D 8.66 4.65 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.32 3.84 0.00 2.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.99 0.00 1.95 1.74 0.00 3.27 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 34 V 9.27 4.74 2.76 0.00 0.00 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 0.00 0.00 1.48 0.00 0.00 35 Y 8.70 5.06 0.00 2.93 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 36 P 0.00 4.38 0.00 2.09 2.06 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 *38 E 8.53 4.25 0.00 1.94 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 2.19 2.41 0.00 39 I 7.50 4.56 1.89 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 1.41 0.73 0.92 0.00 0.00 40 P 0.00 5.21 0.00 2.08 2.23 0.00 3.41 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 *42 D 8.44 4.64 0.00 2.70 2.63 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 43 V 8.41 4.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.91 0.00 0.00 44 R 8.99 4.82 0.00 1.78 1.93 0.00 2.73 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 45 K 8.73 4.50 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.46 7.81 46 T 7.31 4.79 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 K 8.56 4.07 0.00 1.31 1.45 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.36 7.81 48 F 7.79 4.49 0.00 3.04 3.06 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 0.00 0.00 0.00 *50 E 8.09 3.96 0.00 1.97 1.94 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 2.22 2.41 0.00 51 K 8.59 3.67 0.00 1.70 1.43 0.00 1.73 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.38 7.81 52 S 9.35 4.27 0.00 3.87 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 53 G 6.67 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 0.00 0.00 0.00 0.00 54 T 8.03 5.22 4.27 0.00 0.00 0.00 0.00 0.00 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 55 A 8.21 5.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.15 4.83 0.00 1.94 1.85 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 2.34 2.27 0.00 57 V 8.69 4.04 2.13 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 0.87 0.00 0.00 0.87 0.00 0.00 58 Q 9.47 4.51 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 59 K 7.74 4.69 0.00 1.78 1.58 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 L 8.33 5.15 0.00 1.67 1.43 1.26 0.31 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 61 Q 9.01 4.68 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 62 W 8.35 5.72 0.00 3.24 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 63 E 9.92 4.65 0.00 2.07 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 2.19 2.27 0.00 64 E 10.11 4.07 0.00 2.15 1.95 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 2.27 2.35 0.00 65 G 7.95 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.71 4.96 0.00 1.88 1.92 0.00 3.05 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 67 T 9.29 5.37 4.62 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 I 8.88 5.13 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 1.00 0.00 0.00 69 I 9.30 4.94 1.83 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.20 0.77 0.00 0.00 70 T 8.94 5.16 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 71 Y 8.37 5.27 0.00 3.08 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 72 K 8.89 4.87 0.00 1.87 1.78 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 73 L 9.41 4.91 0.00 2.17 1.92 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.76 4.60 4.28 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 1.39 0.00 0.00 75 S 7.45 4.72 0.00 3.90 3.98 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 76 L 8.63 4.97 0.00 1.53 1.62 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.96 4.15 0.00 3.14 3.09 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 5.81 4.35 0.00 3.99 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 79 V 7.32 3.79 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 0.73 0.00 0.00 0.94 0.00 0.00 80 N 8.39 4.50 0.00 2.69 2.77 0.00 0.00 7.25 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.34 4.17 0.00 1.77 1.65 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.