NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3398 8.2893 120.3260 54.1176 33.2980 174.7227 2 P 4.2967 0.0000 0.0000 63.1944 31.4450 174.5801 3 R 4.4224 9.5763 126.1785 55.8723 32.4982 176.7541 4 L 4.8339 8.9926 121.5626 53.1532 44.1026 175.5121 5 K 4.8250 8.6223 125.3244 54.9514 33.8685 174.8635 6 V 4.5755 9.2986 129.1481 60.8232 34.5360 174.0110 7 K 5.0030 8.1557 127.3013 54.2076 35.0230 174.6832 8 L 4.4681 8.7338 130.5385 55.5349 42.4715 177.3721 9 V 5.0573 9.3593 117.4527 59.1437 34.3578 175.5901 10 K 4.5375 7.8847 120.9134 53.8137 34.6603 175.4363 11 S 4.2153 8.7740 120.9737 58.2388 62.9049 171.6255 12 P 4.8626 0.0000 0.0000 62.4809 31.5232 175.1482 13 I 3.7420 7.3625 121.2252 63.3409 37.1256 176.4556 14 G 3.9078 9.1619 114.1292 45.2503 0.0000 172.8972 15 Y 4.4976 7.1848 116.9063 56.0115 39.4616 174.3428 16 P 4.4350 0.0000 0.0000 62.9103 33.3735 177.0284 17 K 3.8224 9.0649 119.1392 60.4004 31.9177 179.2996 18 D 4.4187 7.7294 117.9193 56.7609 39.6694 179.0766 19 Q 3.9422 8.1438 120.1210 58.1436 28.5953 178.8162 20 K 3.9259 8.2514 119.2426 59.3372 31.9481 179.3270 21 A 3.9933 8.6250 121.1382 55.1234 18.3877 179.1615 22 A 3.9177 8.5315 119.8101 55.6528 18.2192 179.7812 23 L 3.8920 7.6488 117.0959 57.9090 41.4930 179.6865 24 K 3.7850 7.3933 116.6254 59.4924 32.1721 178.3451 25 A 4.1285 8.1567 120.5116 55.1726 18.3710 179.3520 26 L 4.1506 8.1185 117.2048 55.7613 41.7074 178.2216 27 G 3.7906 8.9401 107.2328 45.6297 0.0000 173.6295 28 L 5.1517 7.5600 119.8160 52.8437 40.2541 176.7142 29 R 4.1938 7.9512 122.9564 57.8231 31.2848 177.3016 30 R 4.2269 7.4607 116.6072 55.4818 31.3639 176.7273 31 L 4.2739 8.2675 120.8162 55.7416 42.3920 176.8299 32 Q 3.5108 8.9874 117.3234 56.7468 27.3942 173.2337 33 Q 4.4039 7.7282 119.8152 56.0358 30.0908 174.7623 34 E 5.1514 8.6277 125.1955 55.3208 31.9245 175.4690 35 R 4.5162 8.8843 122.1626 55.4043 34.2331 174.0788 36 V 4.6945 8.5389 120.0506 60.1202 32.7369 175.0078 37 L 4.7551 8.9252 126.0646 52.2982 44.8302 175.9686 38 E 4.2803 8.7137 121.8149 56.3341 30.6523 175.6225 39 D 4.8970 8.2000 118.9558 53.9109 41.8378 176.6163 40 T 4.0464 7.7442 110.7105 60.8341 69.2616 171.9878 41 P 4.1977 0.0000 0.0000 65.6514 30.9914 178.5032 42 A 3.9928 7.7410 119.2810 55.4910 18.2850 179.8583 43 I 3.5321 7.6369 117.2631 64.5873 37.0833 178.3572 44 R 4.0022 8.2822 119.4562 59.5925 29.7525 178.9273 45 G 3.9319 8.5593 104.7091 48.1764 0.0000 175.0592 46 N 4.4786 7.7285 117.9759 56.0796 38.4910 177.4875 47 V 3.5082 7.5026 119.0817 66.2660 31.3945 177.7433 48 E 3.9151 9.2304 118.9395 59.5180 29.1729 179.3729 49 K 4.0342 7.9954 118.0612 58.5749 32.4400 177.6933 50 V 3.9906 6.9926 111.1774 60.6861 31.8934 177.2945 51 A 4.2204 7.6071 126.1692 55.2620 18.0969 179.0615 52 H 4.7401 7.5641 108.8274 55.7458 29.0506 175.3343 53 L 4.7143 8.3888 119.1552 54.4642 44.0261 175.9053 54 V 5.2968 7.5525 110.3738 58.5517 36.1957 175.6287 55 R 4.5642 8.2028 118.9387 54.6445 32.6402 175.1935 56 V 4.3183 8.2435 123.3776 61.3525 33.3262 175.9151 57 E 4.4655 8.6271 123.6533 54.8971 32.3830 174.6757 58 V 4.0035 8.4194 127.3412 63.4033 32.9824 176.0380 59 V 4.0811 8.4315 127.7454 62.6141 34.3250 174.9514 *60 E 4.1603 8.7109 123.4394 56.1540 30.3181 172.4241 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 M 8.29 4.34 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.30 0.00 2.15 2.12 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 3 R 9.58 4.42 0.00 1.81 2.04 0.00 3.10 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 4 L 8.99 4.83 0.00 1.52 1.55 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.62 4.83 0.00 1.85 1.82 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.35 7.81 6 V 9.30 4.58 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 0.94 0.00 0.00 0.91 0.00 0.00 7 K 8.16 5.00 0.00 1.90 1.59 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.43 7.81 8 L 8.73 4.47 0.00 1.76 1.52 0.95 0.67 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 9 V 9.36 5.06 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 1.12 0.00 0.00 0.91 0.00 0.00 10 K 7.88 4.54 0.00 1.66 1.63 0.00 1.90 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 11 S 8.77 4.22 0.00 3.90 3.82 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 0.00 0.00 0.00 0.00 12 P 0.00 4.86 0.00 2.29 2.19 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 13 I 7.36 3.74 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.93 0.00 0.00 14 G 9.16 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 15 Y 7.18 4.50 0.00 3.13 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 16 P 0.00 4.43 0.00 2.45 2.05 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 17 K 9.06 3.82 0.00 1.77 1.87 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.49 7.81 18 D 7.73 4.42 0.00 2.89 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 19 Q 8.14 3.94 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 20 K 8.25 3.93 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.62 7.81 21 A 8.62 3.99 1.35 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 0.00 0.00 22 A 8.53 3.92 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 23 L 7.65 3.89 0.00 1.81 1.86 0.87 0.81 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 24 K 7.39 3.78 0.00 1.79 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 A 8.16 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.15 0.00 1.67 1.72 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.94 3.79 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 0.00 0.00 0.00 28 L 7.56 5.15 0.00 1.62 1.64 0.89 1.08 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 29 R 7.95 4.19 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.22 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 30 R 7.46 4.23 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 31 L 8.27 4.27 0.00 1.64 1.61 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.99 3.51 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.73 4.40 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.63 5.15 0.00 1.88 1.84 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 2.23 2.28 0.00 35 R 8.88 4.52 0.00 1.82 1.70 0.00 3.09 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 36 V 8.54 4.69 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 0.77 0.00 0.00 0.93 0.00 0.00 37 L 8.93 4.76 0.00 1.52 1.54 0.91 0.66 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 38 E 8.71 4.28 0.00 1.95 1.87 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 2.29 2.37 0.00 39 D 8.20 4.90 0.00 2.81 2.57 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 40 T 7.74 4.05 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 41 P 0.00 4.20 0.00 2.19 2.08 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.74 3.99 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 43 I 7.64 3.53 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.31 0.90 0.00 0.00 44 R 8.28 4.00 0.00 1.99 1.99 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 45 G 8.56 3.93 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 0.00 0.00 0.00 46 N 7.73 4.48 0.00 2.72 2.84 0.00 0.00 6.63 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 47 V 7.50 3.51 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 1.00 0.00 0.00 0.98 0.00 0.00 48 E 9.23 3.92 0.00 2.02 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 2.58 2.46 0.00 49 K 8.00 4.03 0.00 1.88 1.96 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.49 7.81 50 V 6.99 3.99 1.89 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 0.54 0.00 0.00 0.91 0.00 0.00 51 A 7.61 4.22 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 52 H 7.56 4.74 0.00 3.24 3.43 0.00 5.67 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 53 L 8.39 4.71 0.00 1.41 1.68 0.52 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.55 5.30 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 0.64 0.00 0.00 0.96 0.00 0.00 55 R 8.20 4.56 0.00 1.68 1.80 0.00 3.11 0.00 0.00 3.38 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 V 8.24 4.32 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 0.65 0.00 0.00 0.92 0.00 0.00 57 E 8.63 4.47 0.00 1.98 1.79 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 2.20 2.25 0.00 58 V 8.42 4.00 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 0.79 0.00 0.00 0.93 0.00 0.00 59 V 8.43 4.08 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 0.79 0.00 0.00 0.99 0.00 0.00 *60 E 8.71 4.16 0.00 1.77 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.