NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 3.9505 8.0549 114.0537 60.5705 33.8288 175.0139 11 L 4.3086 7.5978 120.8132 51.4600 41.5152 173.7411 12 T 5.1468 8.8733 113.9151 59.9450 73.0912 173.5293 13 V 4.0691 8.9469 114.3842 62.7230 34.0449 177.2516 *25 K 4.3106 7.9192 119.5792 55.4423 33.9513 174.0072 26 P 4.7270 0.0000 0.0000 62.3367 31.9922 176.6033 27 L 3.9221 8.7644 122.9285 58.5665 41.7616 179.7142 28 R 3.9571 8.0316 115.3523 59.5144 29.1257 178.4514 29 D 4.3205 8.1590 119.5443 57.2207 40.6980 178.8495 30 S 4.1397 8.0413 115.9556 61.2414 62.8330 176.8006 31 V 3.4910 7.5683 120.5710 65.7697 31.3568 177.6890 32 K 3.8318 8.2174 119.6266 59.6781 31.9758 178.4671 33 Q 3.8970 8.0659 119.4851 59.1212 28.9241 177.9840 34 A 3.9364 8.1362 121.9073 55.1568 18.2901 179.6607 35 L 3.6227 7.8749 117.5108 57.4694 41.6599 179.8273 36 K 3.8947 7.9405 118.5847 59.5114 31.7865 179.1044 37 N 4.3444 8.0339 115.5911 56.3964 38.8514 176.5673 38 Y 4.4117 8.1202 120.9401 60.8934 38.9282 178.0744 39 F 4.3399 8.2456 118.7021 60.6130 38.7787 177.5414 40 A 4.1251 7.9284 119.1023 54.7421 18.2247 178.9444 41 Q 4.2055 7.6631 114.6837 58.0524 29.4128 176.5537 42 L 4.0443 7.3691 119.5983 53.8963 42.9708 175.9343 *47 V 3.9547 8.0062 117.8968 63.7564 32.0854 175.6407 48 N 5.1365 8.6894 121.0324 52.9954 38.5618 173.8530 49 D 4.9744 8.0211 116.8727 52.7260 40.4837 177.2066 50 L 4.0244 8.3974 124.0224 59.2484 41.9199 177.6864 51 Y 4.0330 8.0460 118.9002 60.9104 38.8480 177.7428 52 E 3.9465 8.3099 119.0185 59.0583 29.4669 178.7931 53 L 3.8893 8.2045 120.7736 58.2926 42.0256 179.3856 54 V 3.4368 7.7765 117.9698 65.8496 31.4542 177.5968 55 L 3.7374 7.9672 120.2976 58.1226 41.6650 178.8865 56 A 4.0259 8.2231 122.3681 54.4516 18.1484 178.9461 57 E 3.8670 7.7704 116.2948 57.9797 29.8418 177.9583 58 V 4.0309 7.1316 117.3610 64.7000 32.6646 177.4169 59 E 3.8382 8.5250 118.6077 59.2496 29.2533 178.8597 60 Q 3.5553 7.0574 119.8513 58.6894 28.9738 176.9357 61 P 4.1607 0.0000 0.0000 65.4075 31.2656 178.1722 62 L 3.8585 7.5809 120.3011 58.0611 42.0858 178.8313 63 L 3.9722 8.2578 119.3268 57.8381 41.5173 179.3016 64 D 4.3402 8.2540 118.8269 57.7848 40.7682 178.8214 65 M 4.0950 8.2882 119.4086 58.5031 31.9199 179.3692 66 V 3.6770 8.1087 112.8430 64.6634 31.6531 178.6021 67 M 4.1357 8.2093 118.5393 58.2282 31.7869 178.6334 68 Q 3.9411 8.3015 119.8837 59.4177 29.0765 177.6147 69 Y 4.1304 8.1844 119.7094 60.2430 38.9374 177.1765 70 T 4.2974 8.0239 108.5554 60.3494 69.3265 174.7846 71 R 3.7797 8.6130 118.9215 57.8499 28.0476 177.0849 72 G 3.7591 8.9546 103.2287 46.4872 0.0000 174.3959 73 N 4.5806 7.8333 118.8936 52.0947 39.1377 175.2899 74 A 4.0255 8.4961 131.2073 55.4676 18.6219 179.0335 75 T 3.8209 7.9054 113.6863 66.9867 68.6394 176.9911 76 R 3.9752 8.6189 119.9003 58.9898 30.0519 179.0650 77 A 3.9910 8.2403 120.4669 55.0848 18.4530 179.4909 78 A 3.9591 8.3298 119.6683 55.3634 18.2578 179.7597 79 L 3.9608 7.7605 116.1359 58.3608 41.7785 179.4334 80 M 4.2211 7.8805 117.4334 58.6591 31.9953 178.4053 81 M 4.2854 8.0729 117.3920 56.0308 32.2002 177.2883 82 G 3.9112 8.0780 106.9799 45.7581 0.0000 173.0868 83 I 4.6453 7.3923 110.9251 57.6894 40.7717 175.2209 84 N 4.6380 8.3598 119.5867 52.5761 39.3946 176.0967 85 R 4.0189 8.5264 120.5518 59.3779 30.2130 178.6757 86 G 3.6285 8.0506 105.2212 48.1770 0.0000 175.6842 87 T 3.9278 8.8202 118.6563 66.0007 68.3473 176.5970 88 L 3.9578 7.8608 122.1572 58.4655 42.2289 179.4454 89 R 3.9284 8.2075 117.8218 58.7623 29.9007 179.1254 90 K 3.9443 7.9214 119.6889 59.3067 32.2559 179.0274 91 K 3.9137 8.2056 118.8206 59.4801 31.9653 179.1324 92 L 4.0721 8.2013 119.4751 57.8283 41.5940 179.6273 93 K 4.0188 8.1441 119.2977 59.4037 31.9495 178.3968 94 K 3.6787 8.1045 118.9862 59.5629 31.6388 177.1663 95 Y 4.6376 7.7473 114.5223 56.5520 37.9798 175.8383 96 G 3.7324 8.2966 107.9582 47.1623 0.0000 174.6445 97 M 4.3925 8.4387 118.2394 54.8727 33.0135 176.5591 98 N 4.5423 7.9909 121.3836 52.9105 37.8359 174.8733 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 10 V 8.05 3.95 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 0.88 0.00 0.00 0.91 0.00 0.00 11 L 7.60 4.31 0.00 1.75 1.59 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.87 5.15 4.31 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 1.20 0.00 0.00 13 V 8.95 4.07 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 0.67 0.00 0.00 0.95 0.00 0.00 *25 K 7.92 4.31 0.00 1.80 1.83 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 26 P 0.00 4.73 0.00 2.24 2.16 0.00 3.76 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 2.32 1.95 0.00 27 L 8.76 3.92 0.00 1.74 1.70 0.88 0.90 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 28 R 8.03 3.96 0.00 2.07 2.18 0.00 3.02 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 29 D 8.16 4.32 0.00 2.92 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 8.04 4.14 0.00 3.97 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 31 V 7.57 3.49 2.21 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 0.99 0.00 0.00 0.93 0.00 0.00 32 K 8.22 3.83 0.00 1.90 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 Q 8.07 3.90 0.00 2.28 2.05 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 2.40 0.00 34 A 8.14 3.94 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 35 L 7.87 3.62 0.00 1.63 1.05 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.94 3.89 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 37 N 8.03 4.34 0.00 2.85 2.90 0.00 0.00 7.04 7.09 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 38 Y 8.12 4.41 0.00 2.97 2.92 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 39 F 8.25 4.34 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 40 A 7.93 4.13 1.40 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 0.00 0.00 0.00 41 Q 7.66 4.21 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 42 L 7.37 4.04 0.00 1.66 1.54 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *47 V 8.01 3.95 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 1.00 0.00 0.00 0.97 0.00 0.00 48 N 8.69 5.14 0.00 2.83 2.82 0.00 0.00 5.90 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 8.02 4.97 0.00 2.84 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 50 L 8.40 4.02 0.00 1.97 1.87 1.20 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.05 4.03 0.00 3.16 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 52 E 8.31 3.95 0.00 2.07 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 2.57 2.40 0.00 53 L 8.20 3.89 0.00 1.81 1.90 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.78 3.44 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 0.83 0.00 0.00 0.93 0.00 0.00 55 L 7.97 3.74 0.00 1.35 1.62 0.77 1.05 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 56 A 8.22 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.87 0.00 1.79 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 2.21 2.25 0.00 58 V 7.13 4.03 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 0.94 0.00 0.00 0.87 0.00 0.00 59 E 8.52 3.84 0.00 1.90 1.90 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 2.33 2.42 0.00 60 Q 7.06 3.56 0.00 1.38 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 61 P 0.00 4.16 0.00 2.23 2.21 0.00 3.46 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 62 L 7.58 3.86 0.00 1.74 1.89 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.26 3.97 0.00 1.81 1.72 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.25 4.34 0.00 2.90 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 65 M 8.29 4.09 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 66 V 8.11 3.68 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 0.78 0.00 0.00 1.05 0.00 0.00 67 M 8.21 4.14 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 68 Q 8.30 3.94 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 69 Y 8.18 4.13 0.00 3.06 3.16 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 70 T 8.02 4.30 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 1.46 0.00 0.00 71 R 8.61 3.78 0.00 1.97 2.02 0.00 3.19 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 72 G 8.95 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 73 N 7.83 4.58 0.00 2.78 2.78 0.00 0.00 7.10 7.93 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 74 A 8.50 4.03 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 75 T 7.91 3.82 4.39 0.00 0.00 0.00 0.00 0.00 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 76 R 8.62 3.98 0.00 1.87 2.02 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 77 A 8.24 3.99 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 78 A 8.33 3.96 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 79 L 7.76 3.96 0.00 1.82 1.77 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.88 4.22 0.00 1.99 2.29 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 81 M 8.07 4.29 0.00 2.01 2.20 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 2.72 2.54 0.00 82 G 8.08 3.91 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 0.00 0.00 0.00 83 I 7.39 4.65 1.89 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 1.48 0.79 0.93 0.00 0.00 84 N 8.36 4.64 0.00 3.02 3.01 0.00 0.00 5.66 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 8.53 4.02 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 86 G 8.05 3.63 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 0.00 0.00 0.00 87 T 8.82 3.93 4.39 0.00 0.00 0.00 0.00 0.00 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 7.86 3.96 0.00 1.81 1.86 0.95 1.05 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 8.21 3.93 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 90 K 7.92 3.94 0.00 1.93 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 91 K 8.21 3.91 0.00 2.06 2.01 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.69 7.81 92 L 8.20 4.07 0.00 1.86 1.77 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.14 4.02 0.00 1.98 1.93 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.64 7.81 94 K 8.10 3.68 0.00 1.57 1.61 0.00 1.61 0.00 0.00 1.22 0.00 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.45 1.15 7.81 95 Y 7.75 4.64 0.00 3.11 2.93 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 96 G 8.30 3.73 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 0.00 0.00 0.00 97 M 8.44 4.39 0.00 2.02 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 2.70 2.52 0.00 98 N 7.99 4.54 0.00 2.83 2.81 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.