NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.5889 8.0393 114.0125 61.9382 33.3579 174.1686 6 T 4.4854 8.5491 111.7453 60.0918 72.5452 171.3439 7 T 4.6951 9.1230 121.6412 63.6577 69.4657 174.9707 8 Y 5.0478 9.2063 124.7792 56.4392 41.0520 175.0002 9 K 4.9928 9.3367 120.7013 54.6269 36.2906 174.9794 10 L 4.8630 8.5301 124.8332 53.2070 44.9620 175.1934 11 V 4.4474 8.6618 127.3580 61.7789 33.2681 174.1459 12 I 4.4188 8.7179 129.0145 59.3666 40.0228 174.4187 13 N 5.2574 9.0053 127.9763 51.4997 38.2107 174.0190 14 G 4.0393 8.7193 110.2035 44.5536 0.0000 171.9379 15 K 4.2626 9.5402 120.1033 58.8552 32.0327 178.7316 16 T 4.4340 7.7709 105.2578 60.7987 70.8039 173.2640 17 L 4.5718 7.7708 124.6233 53.1419 43.1508 174.9870 18 K 5.0817 9.3460 124.5728 54.0850 36.9818 176.4173 19 G 4.0296 6.9617 110.4337 45.0433 0.0000 171.9556 20 E 5.1096 8.0252 122.6920 55.8678 32.6248 174.1424 21 T 4.7300 8.4265 114.7202 61.4603 71.6291 171.7781 22 T 5.5596 8.2366 113.2921 60.7424 72.4847 172.6529 23 T 4.6934 8.9986 114.7783 60.8811 71.3308 172.1060 24 K 5.1135 8.6141 126.0542 54.9835 33.7313 175.5686 25 A 4.6731 9.0721 125.6577 50.3436 22.7227 177.2315 26 V 3.5963 8.5460 119.3048 65.7644 32.0307 176.0963 27 D 4.9087 7.7757 118.3995 51.3394 43.2715 175.8526 28 A 3.0176 8.3651 120.8678 55.0576 18.3643 179.6954 29 A 3.8171 7.7657 118.5863 55.3484 18.3478 179.9372 30 T 3.8037 8.0232 114.2357 66.5899 68.5584 176.8755 31 A 3.5161 7.4219 122.6242 54.8578 18.1647 179.2157 32 E 3.0157 7.8167 117.6857 59.1375 29.6968 179.2145 33 K 3.7363 7.2586 116.9782 59.4059 32.0274 179.4193 34 V 3.5025 7.2580 117.9769 66.0285 31.2722 178.1763 35 F 4.7267 7.9021 117.6100 60.6572 38.7742 177.9778 36 K 4.0873 8.3000 118.6370 59.3285 31.6198 179.2739 37 Q 3.9810 8.1239 120.0530 59.1845 28.7790 177.4508 38 Y 4.0583 8.4626 120.5681 60.7003 38.7854 178.1256 39 A 4.0836 8.7087 121.8777 55.1339 18.6458 178.9055 40 N 4.2306 8.3882 115.6496 57.1970 38.8297 176.6795 41 D 4.5048 8.2664 118.3041 56.1116 40.8895 177.2906 42 N 4.7880 7.1929 113.9740 52.1255 39.0651 175.1272 43 G 3.8042 7.6644 108.0037 45.9538 0.0000 173.4943 44 V 4.2800 7.8183 119.6121 60.8217 32.3965 174.8116 45 D 4.8266 8.3377 125.9123 52.9270 43.5108 174.5562 46 G 3.9974 8.1687 115.1511 45.6495 0.0000 171.4015 47 E 4.6081 8.1952 119.2479 55.4769 31.2377 175.7216 48 W 5.4229 8.9535 122.8926 55.2598 31.7946 175.0297 49 T 4.9881 8.9786 113.2695 60.3404 72.6007 171.9518 50 Y 5.1132 8.2524 121.2507 56.2609 42.7899 172.6415 51 D 4.3802 7.8163 125.9990 52.2358 43.2796 175.8486 52 D 4.0935 8.5929 125.9397 56.5216 41.6946 177.8740 53 A 3.9674 8.0990 120.9803 54.8206 18.2516 177.8946 54 T 4.3602 7.6052 101.9042 60.4722 69.6632 174.1160 55 K 4.0577 7.5715 120.4358 58.2035 30.5623 174.2202 56 T 5.2577 7.5052 114.2859 62.0054 71.0820 174.2298 57 F 5.4142 9.7555 125.6417 56.9287 41.7396 175.0202 58 T 5.1403 9.0759 116.8056 61.8156 72.8391 173.3748 59 V 4.2011 8.1033 124.5419 59.7885 34.3214 174.3937 60 T 4.9538 8.4033 118.8399 60.1973 70.5066 172.6402 61 E 4.4518 8.8135 130.7486 56.2215 30.8393 177.6583 *62 K 4.0961 8.4451 122.8325 54.9471 32.5255 175.7011 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 5 V 8.04 4.59 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 0.91 0.00 0.00 0.94 0.00 0.00 6 T 8.55 4.49 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 1.25 0.00 0.00 7 T 9.12 4.70 4.19 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 1.25 0.00 0.00 8 Y 9.21 5.05 0.00 3.09 3.42 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 9 K 9.34 4.99 0.00 1.79 1.71 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 10 L 8.53 4.86 0.00 0.27 0.58 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.66 4.45 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 0.81 0.00 0.00 0.91 0.00 0.00 12 I 8.72 4.42 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 0.97 0.00 0.00 13 N 9.01 5.26 0.00 2.53 2.64 0.00 0.00 6.45 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 14 G 8.72 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 0.00 0.00 0.00 15 K 9.54 4.26 0.00 1.69 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 16 T 7.77 4.43 4.23 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 1.20 0.00 0.00 17 L 7.77 4.57 0.00 1.72 1.56 0.94 0.74 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 18 K 9.35 5.08 0.00 1.71 1.62 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.38 7.81 19 G 6.96 4.03 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 0.00 0.00 0.00 20 E 8.03 5.11 0.00 1.97 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 2.16 2.29 0.00 21 T 8.43 4.73 3.98 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 0.47 0.00 0.00 22 T 8.24 5.56 4.48 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 1.27 0.00 0.00 23 T 9.00 4.69 3.99 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 0.00 0.00 0.60 0.00 0.00 24 K 8.61 5.11 0.00 1.69 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 25 A 9.07 4.67 1.18 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 26 V 8.55 3.60 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 0.86 0.00 0.00 0.94 0.00 0.00 27 D 7.78 4.91 0.00 2.87 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 28 A 8.37 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.77 3.82 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 30 T 8.02 3.80 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 1.10 0.00 0.00 31 A 7.42 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.82 3.02 0.00 1.92 1.92 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 1.94 1.87 0.00 33 K 7.26 3.74 0.00 1.89 1.71 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.28 7.81 34 V 7.26 3.50 1.75 0.00 0.00 0.00 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 0.81 0.00 0.00 35 F 7.90 4.73 0.00 2.94 3.07 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 0.00 0.00 0.00 36 K 8.30 4.09 0.00 1.49 1.66 0.00 1.15 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.24 7.81 37 Q 8.12 3.98 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 38 Y 8.46 4.06 0.00 3.29 3.35 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 0.00 0.00 0.00 0.00 39 A 8.71 4.08 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.39 4.23 0.00 2.99 3.00 0.00 0.00 7.28 8.11 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 41 D 8.27 4.50 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.19 4.79 0.00 2.60 2.64 0.00 0.00 7.00 7.53 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 43 G 7.66 3.80 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 0.00 0.00 0.00 44 V 7.82 4.28 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 0.70 0.00 0.00 0.90 0.00 0.00 45 D 8.34 4.83 0.00 2.66 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 46 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.61 0.00 1.94 1.91 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 2.35 2.30 0.00 48 W 8.95 5.42 0.00 3.22 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 49 T 8.98 4.99 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 50 Y 8.25 5.11 0.00 2.80 2.76 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 51 D 7.82 4.38 0.00 2.53 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 0.00 0.00 0.00 52 D 8.59 4.09 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 55 K 7.57 4.06 0.00 1.94 1.93 0.00 1.72 0.00 0.00 1.95 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.37 7.81 56 T 7.51 5.26 4.19 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 1.23 0.00 0.00 57 F 9.76 5.41 0.00 3.21 3.28 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 58 T 9.08 5.14 4.28 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 1.15 0.00 0.00 59 V 8.10 4.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 60 T 8.40 4.95 4.16 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 1.12 0.00 0.00 61 E 8.81 4.45 0.00 1.87 1.83 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 2.47 2.20 0.00 *62 K 8.45 4.10 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.