NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.3457 8.0276 120.6235 55.0776 43.1202 175.3164 12 T 4.7846 7.9319 109.4783 59.5068 71.7930 168.4065 13 V 3.8405 8.2869 122.7589 64.3456 33.6882 177.9629 *25 K 4.0841 7.6141 118.5322 55.7786 33.6097 173.0379 26 P 4.9732 0.0000 0.0000 63.2070 32.7744 177.0880 27 L 3.9541 8.4314 119.5486 57.9930 41.7135 178.8192 28 R 3.9593 7.9654 115.6220 59.1772 29.1679 178.5657 29 D 4.3003 7.6709 119.3651 57.3193 40.8422 178.6753 30 S 4.0821 7.8989 115.1701 61.5517 62.8723 176.5985 31 V 3.4533 7.7658 120.7245 65.9493 31.2967 177.7282 32 K 3.7556 8.2797 119.5153 59.5801 31.9902 178.3894 33 Q 3.8914 8.4377 119.7311 59.3004 29.0410 178.1869 34 A 4.0106 8.4964 122.0074 55.1223 18.3372 179.6194 35 L 3.7337 8.3762 117.9593 57.4685 41.5720 179.5899 36 K 3.9226 7.9647 119.7320 59.6898 32.1771 178.7314 37 N 4.4178 8.1617 116.7660 56.1764 38.2706 176.9414 38 Y 4.0891 8.0600 121.0556 60.9528 38.7989 178.0586 39 F 4.4440 8.5559 117.4081 60.5593 39.0100 177.2500 40 A 4.1809 7.9480 119.8666 54.9028 18.3000 179.1694 41 Q 4.0197 7.8449 117.1873 57.7613 29.2680 176.4244 42 L 4.2577 6.6980 119.1739 54.7764 43.3117 177.2140 43 N 4.7836 8.4152 114.1674 53.1332 40.4110 176.2401 44 G 3.9047 8.0647 104.4268 45.3600 0.0000 171.9694 45 Q 3.9309 7.6319 120.8891 56.0671 29.3555 176.0246 46 D 4.5286 8.5737 125.6385 54.4932 41.5006 176.2805 47 V 4.5965 8.0148 122.0056 60.8533 34.1222 174.2714 48 N 5.1605 8.7620 120.5052 53.0129 40.3669 174.5150 49 D 4.8330 8.1471 114.4693 52.4408 40.9194 176.3635 50 L 3.9486 8.5509 123.6768 59.6517 41.7810 177.7343 51 Y 4.1008 8.2203 118.4411 60.9137 38.6091 177.3731 52 E 3.8510 8.3011 119.2048 59.2881 29.6110 178.5813 53 L 3.8644 8.4750 120.3687 58.3230 42.3684 178.9736 54 V 3.6049 7.8682 118.2113 65.6739 31.4327 177.6263 55 L 3.7436 8.0664 120.2785 58.1890 41.2744 178.8687 56 A 3.7425 8.2582 120.3603 54.3691 18.1188 178.3900 57 E 3.9312 7.8368 116.0649 57.1154 30.0761 176.9232 58 V 4.0850 7.0480 115.4222 65.0065 33.2809 176.7170 59 E 3.8187 8.5370 118.6248 59.5513 29.2663 179.0928 60 Q 3.6130 6.7034 118.0954 58.6063 28.7924 177.4607 61 P 4.1327 0.0000 0.0000 65.5136 31.3487 178.2599 62 L 3.8202 7.8690 118.8128 58.2868 42.0310 178.7722 63 L 3.9515 8.4771 119.3814 58.0792 41.4837 179.2746 64 D 4.2870 8.2382 117.7847 57.6383 41.1623 178.2502 65 M 4.0543 8.5169 119.6664 58.1992 31.9162 178.9147 66 V 3.6470 8.2418 119.0161 65.9175 31.6481 178.1263 67 M 4.0746 8.0717 118.6745 58.3048 31.7515 178.5025 68 Q 3.8800 8.3254 118.5187 59.2545 28.7368 178.1085 69 Y 3.7937 7.7555 119.2419 60.7846 38.7930 177.7004 70 T 4.2203 7.6690 106.8872 60.7783 69.5128 173.8925 71 Y 3.5063 8.6194 118.2393 59.4942 35.8038 171.1617 72 G 3.8682 8.5241 106.9092 45.5042 0.0000 174.2379 73 N 4.6100 7.9323 118.9712 52.7432 39.3327 175.4131 74 Q 4.0180 8.5927 128.0972 59.2426 29.0685 178.4885 75 T 4.0946 7.8875 116.2460 66.9425 68.5719 176.7456 76 R 3.9840 8.0119 119.0935 58.9622 30.1249 178.8757 77 A 3.9744 8.1468 120.4702 55.2371 18.4715 179.5737 78 A 3.9905 9.0045 120.4374 55.2763 17.9484 179.9105 79 L 3.9875 8.1133 117.6112 58.1224 41.4551 179.5926 80 M 4.1227 7.8582 117.8577 58.7134 32.0221 178.4479 81 M 4.2675 7.9037 117.3463 56.3123 32.1826 177.6178 82 G 3.9413 7.7318 105.6699 45.0981 0.0000 172.8513 83 I 4.5971 7.4256 111.7489 57.9858 40.5374 175.6133 84 N 4.6333 8.3146 119.1801 52.2981 39.4503 175.8695 85 R 3.9828 8.6494 121.1236 59.8670 30.0354 178.7785 86 G 3.6409 8.0691 104.6875 48.2521 0.0000 175.6443 87 T 3.9419 7.8723 117.6753 66.0732 68.4262 176.4282 88 L 3.9975 7.8954 122.2335 58.0736 42.1256 179.1849 89 R 3.8881 7.9912 117.9797 59.3045 30.0272 178.6566 90 K 3.8648 8.1231 119.2468 59.8559 32.0301 178.8273 91 K 4.0289 8.0422 118.0245 59.3154 31.9260 179.3681 92 L 4.0911 8.1260 119.5122 57.7681 41.5415 179.5482 93 K 3.9390 8.6459 120.0020 59.2564 31.9056 178.8311 94 K 3.8442 8.1608 119.6516 58.8790 32.0898 177.3915 95 Y 4.5963 7.7020 114.2275 56.4107 39.1276 175.5234 96 G 3.9336 7.9588 107.6020 47.6068 0.0000 174.1996 97 M 4.7186 8.8193 115.0700 54.3799 34.4525 176.4686 98 N 4.5152 8.2435 121.1820 53.1271 37.3463 174.7147 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 11 L 8.03 4.35 0.00 1.74 1.62 0.89 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.93 4.78 4.35 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 1.22 0.00 0.00 13 V 8.29 3.84 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 0.80 0.00 0.00 0.90 0.00 0.00 *25 K 7.61 4.08 0.00 1.95 2.03 0.00 1.57 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.51 7.81 26 P 0.00 4.97 0.00 2.22 2.24 0.00 3.68 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 2.24 1.94 0.00 27 L 8.43 3.95 0.00 1.79 1.66 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.97 3.96 0.00 2.06 2.16 0.00 3.01 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 29 D 7.67 4.30 0.00 3.11 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 30 S 7.90 4.08 0.00 3.97 3.88 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 0.00 0.00 0.00 0.00 31 V 7.77 3.45 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 0.93 0.00 0.00 0.90 0.00 0.00 32 K 8.28 3.76 0.00 1.81 1.97 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 33 Q 8.44 3.89 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 34 A 8.50 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.73 0.00 1.62 1.15 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.96 3.92 0.00 2.01 1.89 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.51 7.81 37 N 8.16 4.42 0.00 2.87 2.89 0.00 0.00 6.70 7.50 0.00 0.00 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 Y 8.06 4.09 0.00 3.13 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 39 F 8.56 4.44 0.00 3.00 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 40 A 7.95 4.18 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 Q 7.84 4.02 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 42 L 6.70 4.26 0.00 1.64 1.45 0.36 1.16 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 43 N 8.42 4.78 0.00 2.67 2.66 0.00 0.00 6.72 7.67 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 44 G 8.06 3.90 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 0.00 0.00 0.00 45 Q 7.63 3.93 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 46 D 8.57 4.53 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.60 2.22 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 0.75 0.00 0.00 1.13 0.00 0.00 48 N 8.76 5.16 0.00 2.70 2.80 0.00 0.00 6.84 8.06 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 49 D 8.15 4.83 0.00 2.80 2.83 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 50 L 8.55 3.95 0.00 1.94 1.88 0.96 1.19 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 51 Y 8.22 4.10 0.00 3.13 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 52 E 8.30 3.85 0.00 2.18 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 2.41 2.46 0.00 53 L 8.48 3.86 0.00 1.71 1.73 0.85 0.73 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 54 V 7.87 3.60 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 0.81 0.00 0.00 0.87 0.00 0.00 55 L 8.07 3.74 0.00 1.42 1.62 0.73 1.08 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 56 A 8.26 3.74 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 3.93 0.00 2.02 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 2.21 2.27 0.00 58 V 7.05 4.08 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 0.98 0.00 0.00 0.90 0.00 0.00 59 E 8.54 3.82 0.00 1.80 1.84 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 2.31 2.45 0.00 60 Q 6.70 3.61 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.00 1.16 0.00 61 P 0.00 4.13 0.00 2.17 2.03 0.00 3.47 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 62 L 7.87 3.82 0.00 1.68 1.75 0.86 0.48 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 63 L 8.48 3.95 0.00 1.83 1.71 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.24 4.29 0.00 2.79 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 65 M 8.52 4.05 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 66 V 8.24 3.65 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 1.08 0.00 0.00 0.92 0.00 0.00 67 M 8.07 4.07 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 68 Q 8.33 3.88 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 69 Y 7.76 3.79 0.00 2.97 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 70 T 7.67 4.22 4.29 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 1.38 0.00 0.00 71 Y 8.62 3.51 0.00 3.11 3.03 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 0.00 0.00 0.00 72 G 8.52 3.87 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 0.00 0.00 0.00 73 N 7.93 4.61 0.00 2.98 2.77 0.00 0.00 7.18 8.49 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 74 Q 8.59 4.02 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 T 7.89 4.09 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 1.23 0.00 0.00 76 R 8.01 3.98 0.00 1.90 2.04 0.00 3.18 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 77 A 8.15 3.97 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 0.00 0.00 78 A 9.00 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 79 L 8.11 3.99 0.00 1.90 1.74 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.86 4.12 0.00 1.98 2.39 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 81 M 7.90 4.27 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 82 G 7.73 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 0.00 0.00 0.00 83 I 7.43 4.60 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.92 0.00 0.00 84 N 8.31 4.63 0.00 2.98 3.00 0.00 0.00 5.58 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.65 3.98 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 86 G 8.07 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.87 3.94 4.40 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 0.00 0.00 0.00 1.23 0.00 0.00 88 L 7.90 4.00 0.00 1.81 1.89 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.99 3.89 0.00 2.01 1.97 0.00 3.38 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 90 K 8.12 3.86 0.00 1.82 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 91 K 8.04 4.03 0.00 2.11 2.01 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.74 7.81 92 L 8.13 4.09 0.00 1.90 1.75 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.65 3.94 0.00 1.84 1.92 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 K 8.16 3.84 0.00 1.78 1.37 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.10 1.29 7.81 95 Y 7.70 4.60 0.00 3.03 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 96 G 7.96 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 97 M 8.82 4.72 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 98 N 8.24 4.52 0.00 2.84 2.83 0.00 0.00 5.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.