NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0720 8.0549 120.4013 63.1052 31.9104 175.1981 3 D 4.6103 8.2991 125.2518 52.8093 43.0701 175.5901 4 P 4.0886 0.0000 0.0000 65.0594 32.8674 177.3325 5 V 4.3083 7.8583 116.5642 64.0772 32.4299 177.8191 6 G 3.7202 8.0760 104.9837 47.0824 0.0000 175.5278 7 F 4.2486 8.5148 123.0082 61.3654 39.4464 176.9627 8 A 3.7837 8.1583 119.8821 55.3459 18.2430 179.3203 9 E 3.9332 8.3956 116.7634 59.4388 29.0678 179.3457 10 A 4.1085 8.1478 120.5734 54.0659 18.4487 179.6467 11 W 3.9523 7.9843 127.4770 60.6823 30.6267 178.4019 12 K 4.2219 8.4176 117.1932 59.4936 31.5294 178.8764 13 A 4.0435 7.8084 120.2224 54.8270 18.3117 178.9601 14 Q 3.8474 7.0860 113.8379 56.2209 30.6879 176.3924 15 F 4.7731 7.8756 118.6198 54.6280 39.3920 173.4495 16 P 4.5220 0.0000 0.0000 64.8451 31.6683 178.1355 17 D 4.6289 8.0557 117.5858 55.6788 41.2625 175.9297 18 S 4.9225 8.0416 114.0504 56.6153 66.8626 173.1871 19 E 4.5069 8.5411 121.1643 54.5061 30.5546 175.0148 20 P 2.9700 0.0000 0.0000 61.4038 31.9825 174.3494 21 P 4.3373 0.0000 0.0000 61.9702 32.1952 176.1321 22 R 4.2615 8.0751 120.8621 54.6282 31.6511 176.2915 *24 E 4.0465 8.4487 120.2500 56.6225 29.7624 175.7018 25 L 4.6758 8.0727 124.5455 52.8061 41.6239 176.8260 26 R 4.3710 8.4855 117.2738 56.3750 31.3948 176.7309 27 S 4.5389 7.2512 112.1233 56.2605 66.7401 175.4603 28 V 3.6808 8.3088 120.8864 65.8504 31.1584 177.8092 29 G 3.6759 8.0729 105.0725 48.1520 0.0000 175.1370 30 D 4.3996 7.6587 120.7966 56.9513 40.7133 179.0934 31 I 3.6984 7.5866 119.9542 64.4653 37.1440 178.3730 32 E 4.0096 8.4090 119.5628 59.3177 29.1474 179.5180 33 Q 3.9864 8.1943 118.1592 59.1243 28.8589 178.6643 34 E 3.9504 8.2199 119.5985 59.2077 29.4626 179.1808 35 L 3.9848 8.3373 120.9948 57.9541 42.1055 178.7054 36 E 3.9368 8.2173 119.3610 59.4310 29.7590 179.0801 37 R 3.9664 8.2996 118.0146 58.9714 29.9652 179.0079 38 A 4.0501 8.0582 120.8015 54.9575 18.6195 179.7938 39 K 3.8910 8.1804 116.8176 59.4144 32.0784 179.3363 40 A 3.9875 7.9749 120.9506 55.4668 18.3664 179.8783 41 S 4.0772 7.9161 113.0435 61.8387 62.9129 177.0114 42 I 3.7614 8.0117 122.6338 64.2411 36.8661 178.4531 43 R 3.8491 7.8926 119.0472 59.5281 29.9746 178.6445 44 R 3.9232 8.1024 117.8183 59.2706 30.0489 178.8313 45 L 3.9765 8.3041 118.9649 58.2136 41.7415 179.6211 46 E 4.0141 8.2431 118.0789 59.2214 29.2154 179.3655 47 Q 3.9142 7.8576 119.2035 59.2677 29.1840 177.9525 48 E 3.9466 8.2996 119.6414 59.4096 29.4550 179.4944 49 V 3.5888 8.1294 118.4554 66.1908 31.6159 177.6495 50 N 4.3466 8.1778 115.9701 56.6433 38.4179 177.3659 51 Q 4.1124 8.3170 119.3461 59.1260 28.5666 178.8900 52 E 4.0551 8.4734 119.0454 59.4993 29.5855 179.3244 53 R 4.1059 8.2685 117.6706 58.9409 30.3606 178.7025 54 F 4.4325 8.3400 120.9244 60.9095 39.7689 178.7195 55 R 4.3799 8.0643 117.4655 55.9329 28.7350 178.6336 *57 I 3.9837 7.6778 121.0035 62.8123 39.5718 177.7416 58 Y 3.9789 7.7874 120.4491 60.7195 38.5446 178.0459 59 L 3.6352 8.0750 120.1176 57.9137 41.8357 179.4835 60 Q 4.1986 7.9214 118.4535 58.8956 28.7082 178.3498 61 T 3.8363 7.3033 116.3882 66.4770 68.7185 176.4047 62 L 3.9571 7.5085 119.7521 58.3187 41.6842 178.6780 63 L 3.8114 8.2123 118.9020 58.3100 42.4546 179.7656 64 A 3.9365 8.6514 119.1394 53.6787 19.7927 179.8475 65 K 3.9993 8.0471 115.0342 59.2767 34.3603 176.9434 66 E 3.9144 8.2538 120.6499 58.1101 29.7441 176.9953 67 K 4.1795 7.5792 121.9975 56.6472 32.8247 175.7009 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 V 8.05 4.07 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 1.15 0.00 0.00 0.98 0.00 0.00 3 D 8.30 4.61 0.00 2.86 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 4 P 0.00 4.09 0.00 2.08 2.07 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 5 V 7.86 4.31 2.12 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 1.11 0.00 0.00 0.96 0.00 0.00 6 G 8.08 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.25 0.00 3.18 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 8 A 8.16 3.78 1.34 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 0.00 0.00 0.00 9 E 8.40 3.93 0.00 2.07 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 0.00 2.35 2.69 0.00 10 A 8.15 4.11 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 11 W 7.98 3.95 0.00 3.14 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 12 K 8.42 4.22 0.00 1.82 1.92 0.00 1.86 0.00 0.00 1.86 0.00 0.00 3.35 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.68 7.81 13 A 7.81 4.04 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 Q 7.09 3.85 0.00 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.13 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 15 F 7.88 4.77 0.00 2.63 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 16 P 0.00 4.52 0.00 2.19 2.18 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 17 D 8.06 4.63 0.00 2.77 2.82 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 18 S 8.04 4.92 0.00 4.14 4.01 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 19 E 8.54 4.51 0.00 1.92 1.79 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 2.30 2.26 0.00 20 P 0.00 2.97 0.00 1.77 1.41 0.00 3.52 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 21 P 0.00 4.34 0.00 1.95 1.83 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.43 0.00 22 R 8.08 4.26 0.00 1.74 1.80 0.00 3.20 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 *24 E 8.45 4.05 0.00 1.95 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 2.19 2.26 0.00 25 L 8.07 4.68 0.00 1.52 1.51 0.78 0.90 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 26 R 8.49 4.37 0.00 1.97 1.95 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 27 S 7.25 4.54 0.00 3.99 3.92 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 28 V 8.31 3.68 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 1.16 0.00 0.00 0.92 0.00 0.00 29 G 8.07 3.68 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 0.00 0.00 0.00 30 D 7.66 4.40 0.00 2.94 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 31 I 7.59 3.70 2.00 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 1.48 0.84 0.88 0.00 0.00 32 E 8.41 4.01 0.00 2.13 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 2.32 2.52 0.00 33 Q 8.19 3.99 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 34 E 8.22 3.95 0.00 2.11 1.98 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 2.45 2.42 0.00 35 L 8.34 3.98 0.00 1.87 1.86 0.93 0.71 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 36 E 8.22 3.94 0.00 2.13 2.23 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 2.30 2.39 0.00 37 R 8.30 3.97 0.00 2.07 1.97 0.00 3.17 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 38 A 8.06 4.05 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 39 K 8.18 3.89 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.75 7.81 40 A 7.97 3.99 1.38 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 0.00 0.00 41 S 7.92 4.08 0.00 3.99 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 42 I 8.01 3.76 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 0.97 0.00 0.00 43 R 7.89 3.85 0.00 2.14 2.06 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 44 R 8.10 3.92 0.00 2.02 1.98 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 45 L 8.30 3.98 0.00 1.91 1.74 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.24 4.01 0.00 2.03 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 2.34 2.63 0.00 47 Q 7.86 3.91 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 48 E 8.30 3.95 0.00 2.22 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 2.34 2.33 0.00 49 V 8.13 3.59 2.23 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 1.14 0.00 0.00 0.98 0.00 0.00 50 N 8.18 4.35 0.00 2.99 2.87 0.00 0.00 7.11 6.94 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 51 Q 8.32 4.11 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 52 E 8.47 4.06 0.00 2.09 2.04 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 2.63 2.52 0.00 53 R 8.27 4.11 0.00 2.00 2.06 0.00 3.20 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 54 F 8.34 4.43 0.00 3.26 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 55 R 8.06 4.38 0.00 2.17 2.22 0.00 2.91 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.73 0.00 *57 I 7.68 3.98 1.86 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 1.61 0.89 0.87 0.00 0.00 58 Y 7.79 3.98 0.00 2.57 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.08 3.64 0.00 1.70 1.62 0.95 0.74 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 60 Q 7.92 4.20 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 61 T 7.30 3.84 4.30 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 1.17 0.00 0.00 62 L 7.51 3.96 0.00 1.47 1.53 0.48 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.21 3.81 0.00 1.56 1.68 0.88 1.02 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 64 A 8.65 3.94 1.35 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 65 K 8.05 4.00 0.00 1.89 2.07 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.49 7.81 66 E 8.25 3.91 0.00 1.94 2.24 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 2.27 2.32 0.00 67 K 7.58 4.18 0.00 1.79 1.60 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.