NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 E 4.3200 8.4449 120.2276 56.3555 30.9513 174.8288 67 M 4.3829 8.1631 119.6102 52.7876 33.1999 175.6473 68 S 4.4994 10.1624 118.5494 57.3098 66.4372 173.3960 69 P 4.2742 0.0000 0.0000 65.7793 31.0694 179.0135 70 Q 4.0617 8.0614 116.2417 59.2516 28.8968 178.5050 71 E 4.0681 8.1290 119.0456 59.4550 29.4150 179.6174 72 L 4.2132 8.3165 119.2314 57.8060 41.7456 179.3484 73 Q 4.3348 8.2774 118.0880 59.2108 28.7668 178.8351 74 L 4.1954 8.2224 121.1509 58.1278 41.6511 178.3043 75 H 4.0543 8.3187 118.2058 59.7389 29.6335 176.8852 76 Y 4.0298 8.2107 116.6324 60.3540 37.8008 177.5265 77 F 3.5660 8.3385 121.4112 60.8092 39.9810 176.6433 78 K 3.8385 7.8785 116.0223 57.0243 31.9174 178.4365 79 M 3.6909 7.1825 118.8949 58.1577 32.1478 176.6182 80 H 3.7057 7.4849 112.6899 55.2388 30.0511 174.8320 81 D 4.3622 6.8806 120.9765 52.9964 39.2910 176.6546 82 Y 4.1344 7.4036 119.3890 60.4279 38.6054 177.1309 83 D 4.5931 8.1202 117.2040 52.5457 39.8317 176.9367 84 G 3.8516 7.9563 107.4747 46.7084 0.0000 173.7561 85 N 4.6720 8.0564 114.8671 51.7485 37.2729 174.5778 86 N 4.3409 8.5697 113.9599 54.3516 36.9064 173.9466 87 L 5.0812 7.9635 114.5812 53.2582 46.4305 176.0871 88 L 4.8837 9.2117 123.5279 53.2557 43.6795 176.2279 89 D 5.0168 9.0562 124.6046 51.9942 41.5053 177.8843 90 G 3.7353 8.6785 104.8276 47.7976 0.0000 175.6608 91 L 4.2237 7.9532 122.0054 56.9097 41.7325 178.9475 92 E 4.2256 8.7493 118.7224 59.2431 29.3424 179.3732 93 L 3.9952 8.0016 119.0348 57.8866 41.8269 179.3294 94 S 4.1388 7.9049 115.1524 62.4113 62.6093 177.2958 95 T 4.0060 7.8622 117.3843 66.4313 67.9139 176.7191 96 A 3.8797 7.4915 121.9255 55.2194 18.5442 179.5497 97 I 3.9319 8.1774 117.1413 63.4384 37.2436 176.9957 98 T 4.4272 7.4482 107.2248 60.1290 70.1593 173.3599 99 H 4.1978 9.8321 124.6667 56.6005 29.8962 174.1861 *109 A 4.2089 7.6280 121.2912 51.5476 20.5151 173.3817 110 P 4.8994 0.0000 0.0000 62.5215 29.8881 179.4712 111 L 4.4960 8.6694 127.7300 54.3866 43.0080 175.3579 112 M 4.3209 8.3598 123.0075 54.6361 32.2805 176.3123 113 S 4.2933 8.3449 114.8966 58.1830 64.0668 175.0337 114 E 4.0066 8.6941 122.2882 59.3704 29.3907 178.9292 115 D 4.3571 8.0380 118.9013 57.1743 40.9783 178.0788 116 E 3.9618 8.2588 120.0219 58.9301 29.6703 178.4509 117 L 3.9483 7.8768 119.9767 58.2703 42.1508 178.9515 118 I 3.6971 7.9024 119.6671 64.3933 37.0499 177.7001 119 N 4.2783 8.1827 117.8763 56.8724 38.5532 176.9580 120 I 3.7355 7.7079 120.6679 64.5390 37.4060 178.2636 121 I 3.7052 7.7489 120.5522 64.5698 36.9269 178.2569 122 D 4.4301 8.6272 120.0941 57.3457 40.7067 178.8375 123 G 3.7449 8.1763 106.2386 48.0163 0.0000 175.7729 124 V 3.6278 8.1289 120.8934 65.6464 31.5753 178.1677 125 L 4.0074 7.9200 118.7690 57.8893 41.2849 179.5202 126 R 3.9466 8.3741 117.7278 59.0525 29.9861 177.8675 127 D 4.5351 7.8826 117.9076 56.8410 41.3512 177.8649 128 D 4.8233 8.5027 117.7384 54.8030 42.0058 176.1309 129 D 4.8301 7.9984 119.8611 52.7226 40.1479 176.6082 130 K 4.0426 8.9826 126.8526 58.6230 32.3490 178.2558 131 N 4.5989 8.3373 113.1113 52.1191 37.8410 173.9834 132 N 4.2908 7.6147 116.0664 55.2432 37.6334 173.8993 133 D 4.6719 8.7218 113.9409 52.5650 40.2870 177.0098 134 G 3.7628 8.4959 108.2350 45.7734 0.0000 172.9236 135 Y 5.0219 8.1369 115.9972 55.9825 41.2351 175.3190 136 I 4.6977 8.5768 123.1132 59.6767 38.6579 175.9492 137 D 5.1340 8.8071 126.8364 52.4665 42.1978 176.4008 138 Y 3.1182 8.2858 118.5770 60.5160 38.5841 177.6351 139 A 3.8464 7.9799 121.2144 55.2385 18.3462 179.3482 140 E 3.9515 8.7930 116.5408 59.1543 29.5973 179.0081 141 F 4.3058 8.2018 119.9494 61.2893 39.5841 176.7707 142 A 3.8380 7.8026 119.2905 53.4128 18.4073 177.4121 143 K 4.0881 7.8517 120.1654 56.7315 32.5635 176.2370 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 66 E 8.44 4.32 0.00 1.99 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 2.23 2.35 0.00 67 M 8.16 4.38 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 68 S 10.16 4.50 0.00 4.02 4.02 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 0.00 0.00 0.00 69 P 0.00 4.27 0.00 2.20 2.16 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 70 Q 8.06 4.06 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 71 E 8.13 4.07 0.00 2.30 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 2.35 2.39 0.00 72 L 8.32 4.21 0.00 2.06 1.90 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.28 4.33 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 74 L 8.22 4.20 0.00 1.66 1.67 0.30 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.32 4.05 0.00 3.42 3.64 0.00 5.83 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 76 Y 8.21 4.03 0.00 3.26 3.24 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 77 F 8.34 3.57 0.00 2.63 3.26 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 0.00 78 K 7.88 3.84 0.00 1.68 1.65 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.63 7.81 79 M 7.18 3.69 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.04 0.00 80 H 7.48 3.71 0.00 2.98 3.10 0.00 5.74 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 81 D 6.88 4.36 0.00 2.27 2.34 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 82 Y 7.40 4.13 0.00 3.05 2.98 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 0.00 0.00 0.00 83 D 8.12 4.59 0.00 2.75 2.81 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 84 G 7.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.67 0.00 2.73 2.86 0.00 0.00 6.96 7.82 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 86 N 8.57 4.34 0.00 2.88 3.06 0.00 0.00 6.63 8.66 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 87 L 7.96 5.08 0.00 1.49 1.45 0.35 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 88 L 9.21 4.88 0.00 1.72 1.61 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 89 D 9.06 5.02 0.00 2.74 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 90 G 8.68 3.74 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 0.00 0.00 0.00 91 L 7.95 4.22 0.00 1.88 1.74 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.75 4.23 0.00 2.25 2.19 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 2.61 2.60 0.00 93 L 8.00 4.00 0.00 1.92 1.75 0.97 0.95 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 94 S 7.90 4.14 0.00 4.09 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 95 T 7.86 4.01 4.58 0.00 0.00 0.00 0.00 0.00 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 96 A 7.49 3.88 1.17 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 0.00 0.00 0.00 0.00 0.00 97 I 8.18 3.93 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 1.60 0.78 0.93 0.00 0.00 98 T 7.45 4.43 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 1.22 0.00 0.00 99 H 9.83 4.20 0.00 3.32 3.50 0.00 5.98 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 *109 A 7.63 4.21 1.28 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 0.00 0.00 110 P 0.00 4.90 0.00 2.06 1.17 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 2.06 0.00 111 L 8.67 4.50 0.00 1.58 1.55 0.92 0.88 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 0.00 112 M 8.36 4.32 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 113 S 8.34 4.29 0.00 4.02 4.04 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 0.00 114 E 8.69 4.01 0.00 2.05 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 2.37 2.40 0.00 115 D 8.04 4.36 0.00 2.73 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 0.00 116 E 8.26 3.96 0.00 2.06 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 2.31 2.31 0.00 117 L 7.88 3.95 0.00 1.80 1.86 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.90 3.70 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 1.40 0.51 0.95 0.00 0.00 119 N 8.18 4.28 0.00 2.77 3.04 0.00 0.00 7.29 7.27 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 0.00 120 I 7.71 3.74 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.92 0.00 0.00 121 I 7.75 3.71 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.98 0.00 0.00 122 D 8.63 4.43 0.00 2.87 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 0.00 123 G 8.18 3.74 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 0.00 0.00 0.00 124 V 8.13 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 0.91 0.00 0.00 1.02 0.00 0.00 125 L 7.92 4.01 0.00 1.90 1.70 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.37 3.95 0.00 1.94 1.96 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 127 D 7.88 4.54 0.00 2.71 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 0.00 128 D 8.50 4.82 0.00 2.77 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 0.00 129 D 8.00 4.83 0.00 2.82 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 0.00 130 K 8.98 4.04 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.52 7.81 131 N 8.34 4.60 0.00 2.86 2.95 0.00 0.00 5.96 8.04 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 0.00 132 N 7.61 4.29 0.00 3.00 2.94 0.00 0.00 7.03 8.35 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 0.00 133 D 8.72 4.67 0.00 2.97 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 0.00 134 G 8.50 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 0.00 135 Y 8.14 5.02 0.00 3.13 2.87 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 0.00 136 I 8.58 4.70 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 1.22 0.00 0.00 137 D 8.81 5.13 0.00 3.07 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 0.00 138 Y 8.29 3.12 0.00 2.34 2.77 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 0.00 139 A 7.98 3.85 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 0.00 140 E 8.79 3.95 0.00 2.23 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 0.00 2.45 2.34 0.00 141 F 8.20 4.31 0.00 3.18 3.08 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 0.00 142 A 7.80 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.85 4.09 0.00 1.79 1.91 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.