NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.3235 7.9127 120.6579 63.0114 33.2367 173.4382 13 V 4.6795 8.3614 128.8349 60.5916 34.1385 173.0768 14 G 4.3291 8.8336 114.2470 44.8654 0.0000 170.4264 15 D 4.8960 9.0656 122.9177 53.6662 45.1712 175.6970 16 D 4.6697 8.8615 123.2141 53.7345 40.3031 176.6554 17 H 4.7854 8.3415 119.1637 54.1088 29.1657 173.3882 18 P 4.2913 0.0000 0.0000 65.8875 31.1823 178.5468 19 L 4.2793 7.9254 116.8930 57.2739 41.5626 179.0735 20 F 3.8574 8.2442 120.4907 61.2545 39.4493 176.9971 21 R 3.7826 8.1876 118.3037 59.3125 29.8637 178.3336 22 E 3.9877 8.8193 118.9519 59.2973 29.5250 179.1858 23 G 3.5727 8.5026 106.4755 47.9225 0.0000 175.5667 24 V 3.3872 8.1092 122.1414 65.6547 31.5056 178.3836 25 V 3.6190 8.1485 118.1866 65.5919 31.2549 178.0482 26 R 3.7912 8.4802 118.9261 59.2985 29.5199 178.1116 27 A 3.9578 7.9478 120.5695 55.4291 18.0908 179.6867 28 L 3.9759 7.7241 116.1706 57.9817 41.5095 179.5665 29 S 4.2572 8.4353 115.5550 61.5341 62.4953 176.7053 30 L 3.7947 7.8243 121.1769 57.2071 41.3886 178.9389 31 S 4.2385 7.4333 113.5470 60.1807 62.7932 175.9830 32 G 4.0178 7.7534 108.9389 45.1057 0.0000 174.1178 33 S 4.4618 8.2486 114.5348 58.9350 63.8516 174.4745 34 V 4.2622 7.5371 118.6627 60.7907 33.0961 174.4293 35 N 4.6831 8.3565 123.5995 51.4363 40.0251 174.5228 36 V 3.7928 8.2059 126.3939 62.7478 30.4064 176.1258 37 V 3.8008 8.3305 121.0584 62.9849 32.1768 176.9503 38 G 4.1295 7.1196 104.5596 45.6982 0.0000 172.2652 39 E 5.4313 8.9967 121.1921 54.4217 32.7934 175.2506 40 A 4.8424 8.7254 122.8907 50.4590 22.9837 176.3469 41 D 5.2161 8.6975 116.9553 51.7652 40.6049 175.8582 42 D 4.6687 8.0330 119.3973 55.1661 43.3885 175.4539 *55 P 4.4817 0.0000 0.0000 62.6945 33.1228 177.4900 56 D 4.4930 8.1708 115.7042 56.6707 40.9536 176.7878 57 V 4.2765 7.4403 116.0919 60.8997 34.7230 174.4813 58 A 4.6506 8.4672 128.2924 50.4281 20.6512 175.3097 59 L 4.8974 8.6342 125.2593 54.8139 43.0621 175.1116 60 L 5.2943 9.0668 126.8724 52.4212 45.2449 175.9078 61 D 4.6538 8.8899 123.8587 54.5839 41.3627 175.1043 62 Y 4.2071 8.8197 128.4729 60.3461 38.6514 177.7436 63 R 4.2376 7.6817 118.3114 54.9268 29.0322 175.9664 64 M 4.2854 7.3566 118.7986 54.2235 33.2614 175.5459 65 P 4.1901 0.0000 0.0000 63.9447 31.3652 176.4081 *85 V 4.0027 7.5906 119.0772 62.7737 32.9391 173.6093 86 L 4.9804 8.9454 131.1971 53.7499 43.6248 174.9653 87 L 5.0788 8.7004 126.5099 53.2517 44.0722 175.2731 88 I 4.6283 8.6300 123.1438 59.1942 41.0779 174.1061 89 S 4.7856 8.6869 122.3419 56.4455 65.5729 174.8200 90 A 3.9518 8.7345 128.2957 54.9458 18.5789 177.8522 91 H 4.6585 8.4757 113.5917 55.0373 29.6028 174.7655 92 D 4.6304 8.4319 122.2944 51.9172 40.4685 175.4196 *103 Q 4.1613 8.6796 122.2661 54.8616 30.4174 175.3762 104 G 3.7354 8.1559 104.3058 46.5847 0.0000 174.2583 105 A 4.3984 7.9525 120.5327 51.0303 19.7961 178.3129 106 A 4.1407 9.0303 123.8458 55.1726 19.2849 177.5135 107 G 4.0585 7.5402 100.2186 46.1493 0.0000 172.1524 108 F 5.1548 8.8280 121.4511 56.7116 41.8463 173.8690 109 L 4.8690 9.3075 127.0171 53.1344 45.0457 175.3123 110 L 5.1584 8.1441 119.9559 53.1096 43.7652 178.0171 111 K 4.2622 8.9746 122.3763 58.3490 32.0965 177.5744 112 D 4.7493 7.9888 117.4479 53.4927 39.6070 176.6342 113 S 5.0567 8.1822 116.5512 58.4119 63.4993 174.9785 114 T 4.2260 8.6877 114.8782 61.6748 70.9575 175.4425 115 R 3.6915 8.4193 119.0863 60.2051 30.2195 178.9017 116 T 3.8971 7.8301 108.6657 64.9758 68.8464 176.1679 117 E 3.9477 8.2023 121.3804 59.2787 29.5409 179.2235 118 I 3.7729 7.8312 118.6698 63.9786 38.0132 177.6740 119 V 3.5420 7.7338 118.9128 65.5250 31.2579 177.4817 120 K 3.7838 8.0949 118.6377 59.7294 31.8297 178.0802 121 A 3.9892 7.6674 119.2236 55.5613 18.3175 179.4544 122 V 3.6896 7.5657 114.7551 66.1391 31.6638 177.9142 123 L 4.1344 7.7684 117.6084 57.7414 41.5862 177.4447 124 D 4.6484 8.2140 122.2797 54.5343 41.0426 176.1622 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 12 V 7.91 4.32 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 13 V 8.36 4.68 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 0.91 0.00 0.00 0.94 0.00 0.00 14 G 8.83 4.33 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 0.00 15 D 9.07 4.90 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.67 0.00 2.81 2.85 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 17 H 8.34 4.79 0.00 3.40 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.29 0.00 2.18 2.14 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 19 L 7.93 4.28 0.00 1.73 1.73 0.93 1.01 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 20 F 8.24 3.86 0.00 3.24 3.23 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 21 R 8.19 3.78 0.00 2.16 2.10 0.00 3.18 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 22 E 8.82 3.99 0.00 2.11 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 2.31 2.49 0.00 23 G 8.50 3.57 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 0.00 0.00 0.00 24 V 8.11 3.39 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 0.97 0.00 0.00 0.70 0.00 0.00 25 V 8.15 3.62 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 1.01 0.00 0.00 0.95 0.00 0.00 26 R 8.48 3.79 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 27 A 7.95 3.96 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 28 L 7.72 3.98 0.00 1.77 1.73 0.91 0.89 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 29 S 8.44 4.26 0.00 3.97 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 30 L 7.82 3.79 0.00 1.78 1.71 0.93 0.94 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 31 S 7.43 4.24 0.00 4.03 4.01 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 0.00 0.00 0.00 32 G 7.75 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 0.00 0.00 0.00 33 S 8.25 4.46 0.00 3.81 3.92 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 34 V 7.54 4.26 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 0.78 0.00 0.00 0.93 0.00 0.00 35 N 8.36 4.68 0.00 2.66 2.67 0.00 0.00 7.00 7.71 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 36 V 8.21 3.79 2.08 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 0.85 0.00 0.00 0.92 0.00 0.00 37 V 8.33 3.80 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 38 G 7.12 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.00 5.43 0.00 1.83 1.85 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 2.20 2.27 0.00 40 A 8.73 4.84 1.19 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 0.00 0.00 41 D 8.70 5.22 0.00 2.74 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 D 8.03 4.67 0.00 2.62 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 *55 P 0.00 4.48 0.00 2.06 2.14 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 56 D 8.17 4.49 0.00 2.67 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 57 V 7.44 4.28 2.09 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 0.82 0.00 0.00 1.00 0.00 0.00 58 A 8.47 4.65 1.25 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 0.00 0.00 0.00 59 L 8.63 4.90 0.00 1.81 1.60 0.93 0.54 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 60 L 9.07 5.29 0.00 1.54 1.48 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.89 4.65 0.00 2.82 2.50 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 0.00 0.00 0.00 0.00 62 Y 8.82 4.21 0.00 2.87 3.02 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 63 R 7.68 4.24 0.00 1.87 1.83 0.00 3.34 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 64 M 7.36 4.29 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 65 P 0.00 4.19 0.00 2.02 2.06 0.00 3.78 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 2.12 2.14 0.00 *85 V 7.59 4.00 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 0.88 0.00 0.00 0.94 0.00 0.00 86 L 8.95 4.98 0.00 1.78 1.51 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.70 5.08 0.00 1.44 1.34 1.25 0.43 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 88 I 8.63 4.63 1.80 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 0.97 1.76 0.85 0.00 0.00 89 S 8.69 4.79 0.00 3.67 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 3.95 1.23 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 91 H 8.48 4.66 0.00 3.15 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.43 4.63 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 *103 Q 8.68 4.16 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 104 G 8.16 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 0.00 105 A 7.95 4.40 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 0.00 106 A 9.03 4.14 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 0.00 107 G 7.54 4.06 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 0.00 0.00 0.00 108 F 8.83 5.15 0.00 2.99 2.85 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 0.00 109 L 9.31 4.87 0.00 1.39 1.52 0.93 0.42 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 0.00 110 L 8.14 5.16 0.00 1.68 1.73 1.16 0.81 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 0.00 111 K 8.97 4.26 0.00 1.63 1.82 0.00 1.36 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.80 1.06 7.81 112 D 7.99 4.75 0.00 2.80 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 0.00 113 S 8.18 5.06 0.00 3.96 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 0.00 114 T 8.69 4.23 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 1.22 0.00 0.00 115 R 8.42 3.69 0.00 1.86 1.97 0.00 3.10 0.00 0.00 3.36 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 116 T 7.83 3.90 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 0.00 117 E 8.20 3.95 0.00 2.30 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 0.00 2.34 2.33 0.00 118 I 7.83 3.77 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 1.43 1.23 0.99 0.00 0.00 119 V 7.73 3.54 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 0.93 0.00 0.00 0.99 0.00 0.00 120 K 8.09 3.78 0.00 1.90 1.99 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.50 7.81 121 A 7.67 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 0.00 122 V 7.57 3.69 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 0.87 0.00 0.00 0.99 0.00 0.00 123 L 7.77 4.13 0.00 1.81 1.72 0.92 0.89 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 0.00 124 D 8.21 4.65 0.00 2.64 2.58 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 0.00 * Residues marked with a * may have inaccurate shift predictions.