NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4218 8.1814 115.2898 58.1577 64.0425 175.2987 2 G 3.9653 8.7547 108.6426 48.1370 0.0000 173.5112 3 I 3.9234 7.8301 121.8820 64.1631 37.8195 176.8491 4 V 3.6479 7.7039 118.9870 65.8562 31.1938 177.9434 5 Q 4.0526 8.2230 117.5277 59.0744 28.3940 178.1821 6 Q 4.0864 7.6806 120.2740 58.8891 29.0324 177.8619 7 Q 4.1090 8.0841 119.1148 58.4036 28.5566 178.1648 8 N 4.2935 7.9297 118.1334 56.6249 39.0287 176.6670 9 N 4.3163 7.8008 117.9986 56.3325 38.6954 177.3063 10 L 3.9709 8.2581 120.7194 57.8031 41.7620 179.3380 11 L 3.9696 8.2063 120.4387 58.3736 42.0073 179.3284 12 R 3.9833 8.4471 117.9910 58.7520 29.8103 179.0064 13 A 3.9356 7.9254 120.8776 55.2733 18.4948 179.5995 14 I 3.6130 7.7524 118.2765 64.5263 37.1720 178.2867 15 E 3.8435 8.2682 119.7627 59.2779 29.3940 178.7957 16 A 4.0571 8.0381 120.8078 55.2827 18.4649 179.6378 17 Q 3.9434 8.4181 116.9238 59.0110 28.7332 178.8881 18 Q 3.9670 8.2106 120.7245 59.4533 28.9992 177.8105 19 H 4.2876 8.1394 117.3301 58.7678 28.8006 177.5812 20 L 3.9907 8.3023 122.4302 58.0729 41.9977 178.7447 21 L 4.0957 8.1939 121.9948 57.8598 42.0348 179.0144 22 Q 4.3097 8.7494 118.2426 58.7063 28.6533 178.5425 23 L 4.1277 7.7698 122.1914 58.2322 41.9859 179.0872 24 T 4.0731 7.9684 109.8322 64.6266 68.7764 176.8709 25 V 3.8871 8.4188 121.5594 65.6828 31.5304 177.7378 26 W 4.3615 8.6812 128.2622 60.3542 30.4584 178.0449 27 G 3.4107 8.2041 105.3914 48.0759 0.0000 175.5359 28 T 3.8407 8.1053 118.9132 66.3036 68.3294 176.5774 29 K 3.7644 8.2238 119.0995 59.5062 32.3740 178.8858 30 Q 3.7366 7.7223 119.8079 58.9660 28.8996 177.9969 31 L 3.7244 7.8206 120.2804 58.0689 41.2160 179.2487 32 Q 3.2958 8.3982 119.4684 59.1615 28.3571 178.7012 33 A 3.8578 7.3148 120.8734 54.4961 18.4246 179.4479 34 R 4.0892 7.5496 117.7633 60.0651 30.6865 179.1687 35 I 3.7973 7.5660 118.8719 65.3559 35.9977 179.1924 36 L 4.5963 7.2799 121.7040 53.2396 43.8693 176.9303 *40 R 4.2708 8.3088 117.4954 57.1860 31.5023 176.9653 41 G 3.9419 8.3071 102.8609 44.7239 0.0000 174.7664 42 G 4.1169 8.2220 104.7694 45.3630 0.0000 174.9975 43 W 4.4319 8.4524 120.4263 58.5654 29.0037 178.1205 44 M 4.1889 8.1906 118.6386 58.7102 31.8377 177.5755 45 E 3.9896 8.2492 119.0639 58.9452 29.9053 178.3107 46 W 4.0733 7.9643 127.4203 60.5281 30.7541 177.5124 47 D 4.2709 8.5441 117.6819 57.0108 40.6457 178.1517 48 R 3.8458 7.6853 119.3403 59.6711 30.1844 178.5076 49 E 3.9404 8.1593 118.1433 58.9501 29.3995 179.4458 50 I 3.4944 7.4135 120.1050 64.4625 37.0546 178.1948 51 N 4.3410 8.0230 117.1983 56.2891 38.3647 177.2576 52 N 4.1959 8.1824 117.9187 56.6098 38.6776 176.9488 53 Y 4.2953 8.0347 117.3643 60.5472 37.9989 178.2433 54 T 4.0031 7.8843 117.3824 66.5143 68.5990 177.0540 55 S 4.1496 8.3437 117.4018 61.5906 62.7823 176.1343 56 L 3.8772 7.8419 122.9200 58.2145 41.7944 178.5931 57 I 3.6442 8.0192 118.1887 64.6060 37.9871 177.1921 58 H 4.1184 8.3642 118.8424 59.5659 29.5008 177.1180 59 S 4.0551 8.0363 114.7477 61.2754 62.2274 176.1159 60 L 3.9955 8.1230 121.9714 57.8153 41.3647 179.5711 61 I 3.7263 8.4739 120.1152 64.4204 37.1051 178.3401 62 E 4.7857 8.1865 120.7497 58.9364 29.1994 179.0580 63 E 3.9226 8.3667 119.3779 59.3932 29.7453 178.8201 64 S 4.1140 8.4480 115.6109 61.8568 62.8855 176.7755 65 Q 3.9967 8.1264 120.4329 59.0007 28.4653 178.6445 66 N 4.2737 7.9614 116.7803 56.6222 38.6758 177.3748 67 Q 4.0138 8.2916 119.4886 59.0005 28.8382 178.8247 68 Q 3.9424 8.5609 120.7598 59.4417 29.1195 178.4487 69 E 4.0641 8.6056 122.3044 59.9141 29.3886 180.1844 70 K 4.0600 8.6161 124.1781 59.8596 31.5546 181.2983 71 N 4.6443 8.6181 116.9740 56.0051 38.7710 177.1202 72 E 4.1541 8.2100 120.0674 59.0404 29.4692 178.8958 73 Q 3.9990 8.1657 119.8498 59.1034 28.8990 177.9132 74 E 4.1035 7.8802 117.9460 58.1069 29.5767 177.9886 75 L 4.5383 7.5897 117.1407 54.6332 42.7127 176.3261 76 L 4.1919 7.4599 123.9451 54.9301 41.6372 176.5754 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 S 8.18 4.42 0.00 3.87 3.68 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 0.00 0.00 0.00 0.00 2 G 8.75 3.97 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 0.00 0.00 0.00 3 I 7.83 3.92 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 1.52 0.52 0.91 0.00 0.00 4 V 7.70 3.65 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 1.09 0.00 0.00 0.96 0.00 0.00 5 Q 8.22 4.05 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 6 Q 7.68 4.09 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 7 Q 8.08 4.11 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 8 N 7.93 4.29 0.00 2.78 3.03 0.00 0.00 7.06 6.60 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 9 N 7.80 4.32 0.00 2.95 2.85 0.00 0.00 7.07 6.59 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 10 L 8.26 3.97 0.00 1.81 1.72 0.97 0.37 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 11 L 8.21 3.97 0.00 1.83 1.91 0.92 1.18 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 12 R 8.45 3.98 0.00 2.02 1.97 0.00 3.25 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 13 A 7.93 3.94 1.39 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 0.00 0.00 0.00 14 I 7.75 3.61 1.99 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 0.94 0.90 0.00 0.00 15 E 8.27 3.84 0.00 2.14 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 0.00 2.21 2.25 0.00 16 A 8.04 4.06 1.39 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 0.00 0.00 0.00 17 Q 8.42 3.94 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 18 Q 8.21 3.97 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 19 H 8.14 4.29 0.00 3.43 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.30 3.99 0.00 1.88 1.87 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.19 4.10 0.00 1.91 1.82 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.75 4.31 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 23 L 7.77 4.13 0.00 2.04 1.83 0.85 0.68 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 24 T 7.97 4.07 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 1.38 0.00 0.00 25 V 8.42 3.89 2.39 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 1.21 0.00 0.00 1.07 0.00 0.00 26 W 8.68 4.36 0.00 3.53 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.20 3.41 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 0.00 28 T 8.11 3.84 4.66 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 0.00 0.00 0.00 1.28 0.00 0.00 29 K 8.22 3.76 0.00 1.82 1.88 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.91 2.03 7.81 30 Q 7.72 3.74 0.00 1.03 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 31 L 7.82 3.72 0.00 1.84 1.53 0.81 0.71 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 32 Q 8.40 3.30 0.00 1.18 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 33 A 7.31 3.86 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 34 R 7.55 4.09 0.00 2.04 1.90 0.00 3.33 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.25 0.00 35 I 7.57 3.80 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 1.52 0.62 0.91 0.00 0.00 36 L 7.28 4.60 0.00 1.19 1.45 1.00 0.87 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 *40 R 8.31 4.27 0.00 1.81 2.00 0.00 3.43 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 41 G 8.31 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 42 G 8.22 4.12 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 0.00 0.00 0.00 43 W 8.45 4.43 0.00 3.40 3.33 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 44 M 8.19 4.19 0.00 2.21 2.15 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 2.73 2.71 0.00 45 E 8.25 3.99 0.00 2.09 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 2.40 2.33 0.00 46 W 7.96 4.07 0.00 3.27 3.31 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 47 D 8.54 4.27 0.00 3.24 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 48 R 7.69 3.85 0.00 2.05 2.23 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 49 E 8.16 3.94 0.00 2.03 2.16 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 2.31 2.61 0.00 50 I 7.41 3.49 1.53 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.36 0.71 0.00 0.00 51 N 8.02 4.34 0.00 2.71 2.84 0.00 0.00 7.12 6.54 0.00 0.00 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 N 8.18 4.20 0.00 2.74 2.44 0.00 0.00 7.05 7.07 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 53 Y 8.03 4.30 0.00 3.08 2.88 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 54 T 7.88 4.00 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 55 S 8.34 4.15 0.00 3.95 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 56 L 7.84 3.88 0.00 1.81 1.89 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.02 3.64 1.99 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 1.42 1.20 1.04 0.00 0.00 58 H 8.36 4.12 0.00 3.37 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.04 4.06 0.00 4.06 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 60 L 8.12 4.00 0.00 1.87 1.71 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.47 3.73 2.03 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 1.52 1.03 0.91 0.00 0.00 62 E 8.19 4.79 0.00 2.14 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 2.36 2.46 0.00 63 E 8.37 3.92 0.00 2.14 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 0.00 2.30 2.39 0.00 64 S 8.45 4.11 0.00 4.02 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 65 Q 8.13 4.00 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 66 N 7.96 4.27 0.00 2.92 2.86 0.00 0.00 7.07 7.98 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 67 Q 8.29 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 68 Q 8.56 3.94 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 69 E 8.61 4.06 0.00 2.27 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 2.33 2.32 0.00 70 K 8.62 4.06 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 71 N 8.62 4.64 0.00 2.63 2.90 0.00 0.00 7.10 7.54 0.00 0.00 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 E 8.21 4.15 0.00 2.04 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 2.32 2.53 0.00 73 Q 8.17 4.00 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 74 E 7.88 4.10 0.00 2.38 2.00 0.00 0.00 0.00 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 2.22 0.00 75 L 7.59 4.54 0.00 1.76 1.69 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.46 4.19 0.00 1.58 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.