NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9301 8.3549 109.7390 45.5813 0.0000 174.7102 0 M 3.6669 7.7568 120.2834 54.6145 32.5573 174.4839 *33 R 4.7646 8.9954 121.4223 56.0979 32.0536 172.0043 34 F 4.9707 8.7522 120.4249 55.1136 41.8769 173.9973 35 Y 5.0421 8.0092 121.4238 55.9556 40.8680 174.0221 36 V 4.4502 8.3600 120.6419 60.4326 34.4739 175.1815 37 K 4.4864 8.5655 122.5289 52.7463 34.1264 175.5093 38 D 4.7589 8.6062 123.8688 52.4086 41.5158 175.3333 39 H 4.8197 8.5648 122.7464 55.3758 29.5213 175.5555 40 R 4.0956 8.0183 119.9988 56.5016 30.3269 175.5490 41 N 4.9987 8.4500 119.9494 52.6618 40.1518 174.4755 *42 K 4.5711 8.2976 117.6709 54.0905 32.9552 176.3691 43 A 4.3003 7.8655 122.3686 52.5708 18.9787 178.6794 44 M 4.1632 8.2199 119.9294 55.5669 32.7952 177.1867 45 I 3.7524 8.1279 123.2715 63.7869 37.6896 175.9876 46 N 4.6115 7.4189 119.1681 52.2443 38.9189 174.2583 47 L 4.1683 8.4166 126.4336 56.9831 42.2156 177.4755 48 H 4.9292 7.9512 110.7780 54.8312 31.0423 173.1308 49 I 4.0021 8.6167 121.8352 61.7974 38.2122 176.4036 50 Q 3.2700 8.7480 125.0950 57.1714 25.8765 175.3063 51 K 4.1953 7.6821 115.5567 58.2190 32.9014 178.4711 52 D 4.4356 8.0110 117.3000 54.2350 39.8666 175.4096 53 N 4.7481 7.9197 120.1329 51.3626 39.3238 173.0387 54 P 4.3147 0.0000 0.0000 64.9185 31.8025 176.5552 55 K 4.1837 7.9152 119.7973 55.3444 34.4111 175.0990 56 I 4.2149 8.3712 128.5918 60.4650 37.0763 175.4491 57 V 4.5714 8.2123 124.7997 61.1210 34.1644 174.2833 58 H 4.7296 8.6377 121.9809 53.8561 31.8162 173.2379 59 A 4.4505 7.6323 123.8383 50.6195 21.6631 175.7158 60 F 5.0002 8.5087 120.8537 55.6249 42.7991 174.2218 61 D 4.8066 8.6947 125.2477 53.8796 42.2179 178.1564 62 M 4.1341 8.9065 122.2119 57.8391 31.4497 176.0607 63 E 4.0689 8.2659 117.2577 58.4597 29.6965 177.4034 64 D 4.8999 7.7748 116.5633 53.8456 41.3528 176.2728 65 L 4.4708 7.9435 120.1406 53.9644 43.3618 177.9134 66 G 4.0754 8.0393 115.0438 46.0903 0.0000 175.0466 67 D 4.5411 8.6843 119.1753 57.0286 42.1820 176.7189 68 K 4.9383 7.7236 117.4059 55.0300 35.5135 174.8828 69 A 4.4582 9.2626 129.2267 49.8875 22.0380 174.9561 70 V 4.4353 8.0319 122.2608 61.4262 33.8474 173.6185 71 Y 4.8702 8.7832 126.8562 56.3687 39.9663 174.9902 72 C 4.4992 8.6767 125.1333 59.1426 32.2258 173.4139 73 R 4.6374 8.6631 123.1099 55.9641 29.9041 175.7275 74 C 4.7541 7.9677 112.6726 56.8491 31.1059 174.2847 75 W 3.4353 8.0575 118.6056 58.0246 25.9808 174.8029 76 R 4.6045 7.4180 116.9419 55.9446 31.7411 176.7538 77 S 4.5692 8.1575 112.5630 58.4572 62.7283 174.1699 78 K 4.2943 9.3772 126.4214 58.0239 32.2754 177.8929 79 K 4.6276 8.2410 118.6984 55.6783 32.5258 175.3886 80 F 3.9234 8.4614 120.6678 58.5487 39.4973 173.3415 81 P 2.9700 0.0000 0.0000 62.3755 31.6734 175.6180 82 F 4.6680 7.4653 118.6088 56.5982 39.8283 175.1037 83 C 4.3398 8.7189 125.8395 59.5630 31.8144 172.9674 84 D 4.8072 8.7096 124.4119 52.9052 39.9114 176.7133 85 G 3.7759 8.4190 107.3234 46.0018 0.0000 175.5235 86 A 4.0341 8.2905 122.6014 55.2396 18.1928 179.2941 87 H 4.1940 8.3290 113.6845 59.3768 28.2471 177.6418 88 T 3.9473 7.6141 111.9986 64.4428 68.5109 176.4578 89 K 3.9356 7.9121 122.2343 59.3834 32.2450 178.2351 90 H 4.1431 8.2316 117.9920 59.4849 29.9050 176.7193 91 N 4.2799 8.6417 118.6379 56.2495 38.1346 177.0576 92 E 3.9251 8.0465 119.5421 59.2419 29.8550 178.3705 93 E 4.1192 8.0523 117.4765 59.3417 29.7625 178.7810 94 T 4.4084 7.8404 106.1673 60.8951 69.6008 175.5380 95 G 3.8052 7.9704 109.7569 45.9097 0.0000 173.1331 96 D 4.7308 7.4615 119.8509 53.6569 42.0257 175.1431 97 N 5.1272 8.1511 116.4933 52.3039 37.5273 175.0222 98 V 4.0421 8.2513 111.1538 62.4399 32.7739 175.4272 99 G 4.1775 7.9549 108.3072 44.5453 0.0000 170.3240 100 P 4.8372 0.0000 0.0000 62.2042 33.1692 174.9540 101 L 4.7643 8.6604 121.6760 53.3567 44.2492 174.8120 102 I 4.9764 8.4282 126.2696 59.5676 39.8446 174.7623 103 I 4.6730 8.6594 127.9001 59.3698 39.5459 174.9071 104 K 5.1005 8.4995 125.0413 54.6858 36.2615 175.7559 105 K 4.2617 8.8568 121.2406 55.4705 32.5491 177.5467 106 K 3.8843 9.1689 128.5755 57.3621 32.8175 176.8659 107 E 4.1395 8.4012 119.8806 55.7892 29.5044 175.8222 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 -1 G 8.35 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 0 M 7.76 3.67 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 *33 R 9.00 4.76 0.00 1.85 1.76 0.00 3.10 0.00 0.00 3.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 34 F 8.75 4.97 0.00 3.00 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 35 Y 8.01 5.04 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.36 4.45 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 0.77 0.00 0.00 0.94 0.00 0.00 37 K 8.57 4.49 0.00 1.76 1.60 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.95 7.81 38 D 8.61 4.76 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 4.82 0.00 3.19 3.30 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.02 4.10 0.00 1.92 1.87 0.00 3.16 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 41 N 8.45 5.00 0.00 2.76 2.76 0.00 0.00 5.78 7.13 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 *42 K 8.30 4.57 0.00 1.75 1.66 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 43 A 7.87 4.30 1.24 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 44 M 8.22 4.16 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 45 I 8.13 3.75 1.57 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.39 0.82 0.00 0.00 46 N 7.42 4.61 0.00 1.84 2.25 0.00 0.00 6.97 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 47 L 8.42 4.17 0.00 1.37 1.32 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.95 4.93 0.00 3.10 3.27 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.62 4.00 2.03 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.93 0.00 0.00 50 Q 8.75 3.27 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.95 0.00 0.00 0.00 0.00 0.00 2.37 1.93 0.00 51 K 7.68 4.20 0.00 1.75 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.36 7.81 52 D 8.01 4.44 0.00 2.79 2.79 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 53 N 7.92 4.75 0.00 2.74 2.96 0.00 0.00 7.16 7.06 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 54 P 0.00 4.31 0.00 2.20 2.15 0.00 3.83 0.00 0.00 3.74 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 55 K 7.92 4.18 0.00 1.68 1.69 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.39 7.81 56 I 8.37 4.21 2.27 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 1.33 0.00 0.00 57 V 8.21 4.57 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 0.83 0.00 0.00 0.96 0.00 0.00 58 H 8.64 4.73 0.00 2.98 2.84 0.00 5.91 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 59 A 7.63 4.45 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.51 5.00 0.00 2.99 2.95 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 61 D 8.69 4.81 0.00 2.77 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 62 M 8.91 4.13 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.15 0.00 63 E 8.27 4.07 0.00 1.96 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 0.00 2.33 2.42 0.00 64 D 7.77 4.90 0.00 2.69 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 65 L 7.94 4.47 0.00 1.73 1.59 1.00 1.00 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 66 G 8.04 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.68 4.54 0.00 2.57 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 68 K 7.72 4.94 0.00 1.66 1.55 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.38 7.81 69 A 9.26 4.46 0.77 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 0.00 0.00 70 V 8.03 4.44 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 0.96 0.00 0.00 0.83 0.00 0.00 71 Y 8.78 4.87 0.00 2.87 2.52 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 0.00 0.00 0.00 72 C 8.68 4.50 0.00 2.97 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.64 0.00 1.99 1.95 0.00 3.26 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 74 C 7.97 4.75 0.00 3.10 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 75 W 8.06 3.44 0.00 3.38 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 76 R 7.42 4.60 0.00 2.01 1.99 0.00 3.40 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 77 S 8.16 4.57 0.00 3.92 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 78 K 9.38 4.29 0.00 1.88 1.89 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.59 7.81 79 K 8.24 4.63 0.00 1.97 1.88 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.20 7.81 80 F 8.46 3.92 0.00 3.13 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 81 P 0.00 2.97 0.00 1.47 1.13 0.00 3.61 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 1.00 1.60 0.00 82 F 7.47 4.67 0.00 3.12 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 83 C 8.72 4.34 0.00 2.87 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 84 D 8.71 4.81 0.00 2.78 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 85 G 8.42 3.78 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 0.00 0.00 0.00 86 A 8.29 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.33 4.19 0.00 3.41 3.65 0.00 5.47 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.61 3.95 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 1.19 0.00 0.00 89 K 7.91 3.94 0.00 1.83 2.03 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.46 7.81 90 H 8.23 4.14 0.00 3.35 3.53 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.64 4.28 0.00 2.91 2.96 0.00 0.00 6.73 7.43 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 92 E 8.05 3.93 0.00 2.09 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 0.00 2.33 2.35 0.00 93 E 8.05 4.12 0.00 2.14 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 2.35 2.56 0.00 94 T 7.84 4.41 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 1.21 0.00 0.00 95 G 7.97 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 96 D 7.46 4.73 0.00 2.58 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 97 N 8.15 5.13 0.00 2.81 2.81 0.00 0.00 6.00 7.68 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 98 V 8.25 4.04 2.14 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 0.88 0.00 0.00 1.07 0.00 0.00 99 G 7.95 4.18 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 0.00 100 P 0.00 4.84 0.00 2.05 2.05 0.00 3.59 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 101 L 8.66 4.76 0.00 1.81 1.61 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.43 4.98 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.88 0.00 0.00 103 I 8.66 4.67 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.13 0.97 0.00 0.00 104 K 8.50 5.10 0.00 1.77 1.71 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.43 7.81 105 K 8.86 4.26 0.00 1.62 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.52 7.81 106 K 9.17 3.88 0.00 1.71 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 107 E 8.40 4.14 0.00 2.04 1.69 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 2.23 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.