NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1812 8.2649 123.5812 50.2850 21.0748 176.4529 3 K 3.6486 8.0560 113.5162 55.9408 29.1429 170.5535 4 E 4.7338 7.5834 125.1346 56.4487 36.5043 173.8245 5 P 4.4567 0.0000 0.0000 62.2291 32.1747 174.8940 6 C 4.3266 8.4232 120.0160 59.0324 32.1195 174.0266 7 V 4.2713 8.1314 125.4489 61.6893 32.1608 177.1089 8 E 3.9276 8.0818 120.4384 59.0076 29.2601 178.2180 9 S 4.0956 7.9121 114.6132 60.5057 62.5464 175.9413 10 L 4.0680 7.6056 122.2411 57.1034 41.6050 179.2125 11 V 2.8117 7.2849 118.0730 63.4921 31.7268 178.0368 12 S 3.2169 7.8040 115.0688 60.4622 62.3922 176.0896 13 Q 4.0843 7.2805 121.0322 58.5532 28.4607 177.7755 14 Y 4.4372 7.2419 117.8391 60.7411 37.8763 178.1705 15 F 4.6086 7.5973 119.2579 60.8299 38.9990 177.6454 16 Q 4.0820 7.9819 116.7542 59.1201 28.3330 178.8131 17 T 3.7692 7.7439 116.4346 66.6068 68.5419 176.7290 18 V 3.5061 7.6966 119.9131 66.0798 31.4770 178.2751 19 T 3.9415 7.7540 115.4781 66.5161 68.3565 176.4148 20 D 4.3584 8.1121 120.9238 57.6892 40.5419 178.4875 21 Y 5.1298 7.1253 118.6810 60.6028 37.8198 178.7717 22 G 3.7569 8.2646 106.8803 47.5793 0.0000 176.0083 23 K 4.1497 8.2999 120.7444 59.1879 32.1129 179.1844 24 D 4.6988 7.9284 120.4413 56.7367 40.6119 178.5701 25 L 4.1496 7.7211 118.1572 57.5232 41.4108 178.9880 26 M 4.1976 8.0581 118.3683 58.4315 32.3560 178.1551 27 E 4.0314 8.4050 119.1039 58.4750 30.1539 177.6638 28 K 4.7815 7.5331 117.5410 55.3052 31.4434 176.9840 29 V 4.6165 7.2578 116.0966 61.7508 37.7449 176.2853 30 K 4.1823 7.7322 119.9327 58.2095 32.0229 178.3315 31 S 4.6533 7.4742 111.6649 59.3866 64.1884 174.4367 32 P 4.2575 0.0000 0.0000 65.5190 31.0157 177.8070 33 E 4.2045 8.2644 116.2193 58.3620 29.7978 177.1010 34 L 4.8869 8.1625 118.1357 54.3130 42.8469 176.0258 35 Q 4.6426 8.0119 118.1369 54.6060 31.1146 175.1069 *39 K 4.6537 8.3531 121.9525 56.3268 34.4708 178.2413 40 S 4.0925 7.9745 114.1543 61.8794 62.5689 176.1438 41 Y 4.3186 7.3734 119.6576 60.7454 37.8315 178.0434 42 F 4.2618 8.2234 118.3059 60.1033 39.1475 177.5529 43 E 4.1530 8.3903 118.5060 59.3551 29.2895 179.2568 44 K 4.3125 8.3078 118.7076 58.8142 32.3309 179.2814 45 S 4.2787 8.1324 114.7318 61.4980 63.0831 176.7988 46 K 4.1459 7.8098 120.8891 58.5533 31.3061 178.2573 47 E 4.3587 7.9870 116.9024 57.1994 29.2403 177.7828 48 Q 4.4442 7.7176 118.0934 56.6965 30.8334 177.6203 49 L 4.1426 7.7189 119.5036 58.0398 42.0068 179.3101 50 T 3.9382 7.7783 115.1054 66.3567 68.7026 175.1836 51 P 4.3865 0.0000 0.0000 64.5747 31.0474 178.4203 52 L 3.9449 7.2713 117.9286 58.2957 42.3872 178.6535 53 I 3.9317 7.6358 119.2437 64.1328 37.3631 177.9113 54 K 4.2404 8.0253 117.7869 57.7430 31.9390 178.8313 55 K 4.0410 7.9046 120.0805 58.7691 31.9962 178.3257 56 A 4.0791 7.9417 120.9038 54.8737 17.9501 179.6441 57 G 3.6073 7.7304 103.7868 47.1407 0.0000 174.2227 58 T 4.5483 7.4202 113.9795 60.9334 67.8018 174.2678 59 E 4.2027 7.0687 119.1880 55.5861 35.5128 176.6441 60 L 3.7312 7.8686 117.2896 57.8322 42.4585 179.3774 61 V 3.6336 7.9946 118.5048 66.0711 31.2685 177.8639 62 N 4.5053 7.8930 115.8517 56.0682 38.3181 177.3387 63 F 4.6907 7.7997 119.0698 60.8536 38.6882 177.8099 64 L 4.3352 8.4110 118.5694 57.5692 39.7553 179.6225 65 S 4.0451 8.2930 113.4745 61.5741 62.6376 175.2374 66 Y 3.9250 8.0599 117.5483 59.0175 37.7300 177.3627 67 F 4.0139 8.1639 122.7926 61.0529 39.2749 177.1363 68 V 3.7662 7.3860 117.0800 65.6094 31.4216 177.6098 69 E 4.0524 7.4158 116.8843 59.5412 29.5994 178.9389 70 L 4.3134 8.0123 119.3427 57.1412 41.9185 178.1098 71 G 4.2302 7.5596 103.7023 45.2957 0.0000 173.6889 72 T 4.7619 7.3415 116.2971 62.4181 70.1569 173.8121 73 Q 4.3316 8.0243 114.1347 55.6647 31.0707 173.0675 *75 A 4.0668 8.4144 125.6073 54.1063 19.8552 178.4394 76 T 2.9241 8.3230 107.8418 64.6475 69.8284 172.2720 77 Q 4.1518 8.4494 131.5993 56.6895 29.1056 175.0491 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 A 8.26 4.18 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 3 K 8.06 3.65 0.00 2.00 1.89 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 E 7.58 4.73 0.00 1.85 1.87 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 2.09 2.13 0.00 5 P 0.00 4.46 0.00 2.20 2.03 0.00 3.80 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 1.94 0.00 6 C 8.42 4.33 0.00 2.94 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 7 V 8.13 4.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 8 E 8.08 3.93 0.00 2.03 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 2.33 2.33 0.00 9 S 7.91 4.10 0.00 4.00 3.95 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 0.00 0.00 0.00 10 L 7.61 4.07 0.00 1.56 1.57 0.86 0.80 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 7.28 2.81 1.83 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 0.70 0.00 0.00 0.76 0.00 0.00 12 S 7.80 3.22 0.00 3.99 4.07 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 0.00 0.00 0.00 0.00 13 Q 7.28 4.08 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 14 Y 7.24 4.44 0.00 2.83 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 15 F 7.60 4.61 0.00 3.14 2.97 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 16 Q 7.98 4.08 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 17 T 7.74 3.77 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 0.83 0.00 0.00 18 V 7.70 3.51 2.26 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 1.10 0.00 0.00 1.06 0.00 0.00 19 T 7.75 3.94 4.41 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 1.22 0.00 0.00 20 D 8.11 4.36 0.00 2.65 2.72 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 21 Y 7.13 5.13 0.00 3.11 2.91 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 22 G 8.26 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.30 4.15 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.72 7.81 24 D 7.93 4.70 0.00 2.96 2.75 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 25 L 7.72 4.15 0.00 1.89 1.73 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.06 4.20 0.00 2.26 2.18 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 2.61 2.59 0.00 27 E 8.41 4.03 0.00 2.24 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 2.35 2.64 0.00 28 K 7.53 4.78 0.00 1.79 1.82 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 29 V 7.26 4.62 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 0.74 0.00 0.00 0.94 0.00 0.00 30 K 7.73 4.18 0.00 1.66 1.94 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 31 S 7.47 4.65 0.00 4.18 4.15 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 32 P 0.00 4.26 0.00 2.06 2.21 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 33 E 8.26 4.20 0.00 1.95 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 2.33 2.58 0.00 34 L 8.16 4.89 0.00 1.58 1.55 0.87 0.70 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 35 Q 8.01 4.64 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 *39 K 8.35 4.65 0.00 1.90 1.92 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 40 S 7.97 4.09 0.00 3.87 3.96 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 41 Y 7.37 4.32 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.26 0.00 3.31 3.12 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 0.00 0.00 0.00 0.00 43 E 8.39 4.15 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 44 K 8.31 4.31 0.00 1.84 1.92 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 45 S 8.13 4.28 0.00 4.07 4.16 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 0.00 0.00 0.00 0.00 46 K 7.81 4.15 0.00 2.13 1.93 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.75 7.81 47 E 7.99 4.36 0.00 2.24 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 2.34 2.61 0.00 48 Q 7.72 4.44 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 49 L 7.72 4.14 0.00 1.67 1.71 0.93 0.87 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 50 T 7.78 3.94 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 1.22 0.00 0.00 51 P 0.00 4.39 0.00 2.16 2.10 0.00 3.61 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 2.23 2.14 0.00 52 L 7.27 3.94 0.00 1.96 1.88 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.64 3.93 1.87 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 1.64 0.82 0.91 0.00 0.00 54 K 8.03 4.24 0.00 1.87 1.84 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 K 7.90 4.04 0.00 2.10 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 56 A 7.94 4.08 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 57 G 7.73 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.42 4.55 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 1.22 0.00 0.00 59 E 7.07 4.20 0.00 1.87 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.17 0.00 60 L 7.87 3.73 0.00 1.65 1.70 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.99 3.63 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 1.04 0.00 0.00 0.93 0.00 0.00 62 N 7.89 4.51 0.00 2.78 2.90 0.00 0.00 7.17 8.13 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 63 F 7.80 4.69 0.00 3.43 3.22 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 0.00 0.00 0.00 0.00 64 L 8.41 4.34 0.00 1.98 1.79 1.11 0.59 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 65 S 8.29 4.05 0.00 4.11 4.19 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 0.00 0.00 0.00 0.00 66 Y 8.06 3.92 0.00 3.11 2.99 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 67 F 8.16 4.01 0.00 3.41 3.04 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 0.00 0.00 0.00 68 V 7.39 3.77 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 0.91 0.00 0.00 1.05 0.00 0.00 69 E 7.42 4.05 0.00 2.12 1.93 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 2.19 2.29 0.00 70 L 8.01 4.31 0.00 1.82 1.62 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.56 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 0.00 0.00 0.00 0.00 72 T 7.34 4.76 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 1.22 0.00 0.00 73 Q 8.02 4.33 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 *75 A 8.41 4.07 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 76 T 8.32 2.92 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 1.21 0.00 0.00 77 Q 8.45 4.15 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.