NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3665 0.0000 0.0000 62.0560 32.6478 175.4136 3 K 3.8765 8.2559 116.4895 55.1738 32.0204 174.9175 4 M 4.2057 9.3569 125.3301 55.3226 33.8646 175.0087 5 K 4.4930 8.3259 124.9552 54.9813 33.7024 176.7575 6 T 3.9851 8.2500 113.5843 61.5892 69.7909 173.6226 7 H 4.3370 8.9151 124.9917 55.7541 30.0990 176.0685 8 K 4.0787 8.8287 127.3972 59.7211 31.9253 179.3961 9 G 3.8546 8.2342 103.7007 47.6077 0.0000 174.8752 10 A 4.2063 8.0972 122.1667 54.8615 18.9078 179.2347 11 K 3.9505 7.7277 116.1590 59.4468 32.2495 178.1390 12 K 4.4232 8.1754 116.6356 56.9465 32.1906 177.7767 13 R 4.6833 8.0701 114.6529 55.6501 30.6341 174.6556 14 V 4.6840 7.5221 116.0375 62.1256 34.6402 173.0412 15 K 4.6454 8.9236 127.4121 54.5629 35.5439 174.3420 16 I 4.6944 8.2815 127.2699 59.8717 39.3135 176.2018 17 T 4.2114 9.0472 121.8420 61.4490 70.2510 174.0744 18 A 4.3298 8.5189 122.2105 54.0968 19.5831 178.4585 19 S 4.4057 8.0756 107.9510 58.3225 63.9165 173.9647 20 G 3.6875 7.6024 107.8770 46.3323 0.0000 173.4473 21 K 4.5661 8.8727 118.7265 54.7826 35.1664 176.6453 22 V 4.7765 8.1763 121.0514 61.2699 34.2415 174.4325 23 V 5.2694 9.1326 126.5286 60.1617 34.9230 174.0358 24 A 4.9856 8.2739 127.1073 50.1735 23.2781 174.8610 25 M 4.4434 8.5129 118.3995 55.3698 33.0282 176.4886 26 K 4.3732 7.7331 121.1535 55.8203 32.9326 177.7370 27 T 4.0373 8.3061 114.9328 62.0681 69.6621 174.0326 28 G 3.8744 8.5549 110.3399 45.6210 0.0000 174.6223 29 K 4.1482 7.8610 118.8403 55.5247 32.8302 173.8221 30 R 3.5642 8.3289 118.4740 58.6399 29.3740 176.1290 31 H 4.0145 9.2870 116.7980 58.6197 24.5830 178.0706 32 L 2.9512 7.1462 119.2334 52.5673 43.9486 176.6849 33 N 4.6777 8.5053 123.8028 54.1855 39.7308 175.4827 34 W 4.3428 7.9718 126.4508 58.3633 31.7864 176.0546 35 Q 3.8562 8.4499 113.9918 53.8007 25.2926 172.7200 36 K 3.5884 8.6717 123.8602 58.8998 32.0955 175.4704 37 S 4.0510 7.3450 117.4947 56.0165 66.3147 173.9841 38 G 4.4010 9.1469 104.4002 45.8128 0.0000 175.0450 39 K 4.0891 8.4645 119.8651 56.8532 32.0971 176.4476 40 E 4.2405 8.0289 117.8514 57.7881 30.1352 178.1086 41 I 3.5116 8.0254 118.9762 64.8858 37.3831 176.5294 42 R 4.0051 7.4705 118.5098 59.8381 30.0293 177.7797 43 Q 4.4354 7.6063 117.1419 56.0257 25.9841 177.0881 44 K 4.5616 7.4709 118.7204 54.6051 33.5427 176.9222 45 G 4.1171 7.6647 113.7636 44.6147 0.0000 170.4500 46 R 4.8343 8.2882 121.1465 55.8095 32.0085 175.7252 47 K 4.5118 8.4464 117.7678 55.4817 35.9771 175.7276 48 F 4.8702 7.6024 116.7707 57.0121 38.8774 174.4691 49 V 4.5646 8.0688 119.6998 61.1143 34.0287 174.5367 50 L 4.7037 7.9595 124.5439 54.0474 45.0520 178.0449 51 A 4.8506 8.6934 127.2502 53.1810 17.7771 179.1102 52 K 4.1730 9.1235 116.2655 58.0524 32.1616 176.9522 53 P 4.5040 0.0000 0.0000 65.1907 31.5990 177.7900 54 E 3.5541 8.3131 117.0179 59.3706 29.1455 179.1160 55 A 3.9026 7.8810 120.9284 54.9711 18.5817 178.8753 56 E 3.8472 7.7126 116.7698 60.0679 29.4539 179.9548 57 R 3.9282 8.7749 118.6764 59.4290 29.8750 178.8580 58 I 3.9301 7.5466 117.9118 62.9122 37.5177 177.2813 59 K 4.4616 8.1344 119.2543 55.7583 32.8235 176.6635 60 L 5.1853 7.2831 117.9231 53.8986 41.2402 176.4207 61 L 4.1122 7.1679 120.1288 56.8918 42.9684 179.2506 62 L 4.2182 8.0490 118.2827 57.7730 42.0740 178.0923 63 P 4.2409 0.0000 0.0000 64.4855 31.5734 176.8653 64 Y 3.0567 8.2254 117.8781 59.6843 38.2277 172.1808 *65 E 4.1515 8.6059 117.8396 57.2125 30.5285 171.8479 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 2 P 0.00 4.37 0.00 2.20 2.14 0.00 3.77 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 1.89 2.00 0.00 3 K 8.26 3.88 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 M 9.36 4.21 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 5 K 8.33 4.49 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.42 7.81 6 T 8.25 3.99 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 1.24 0.00 0.00 7 H 8.92 4.34 0.00 3.22 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.83 4.08 0.00 1.78 1.84 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.44 7.81 9 G 8.23 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 10 A 8.10 4.21 1.22 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 0.00 0.00 11 K 7.73 3.95 0.00 1.83 2.03 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 12 K 8.18 4.42 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.62 7.81 13 R 8.07 4.68 0.00 1.80 1.92 0.00 3.06 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 14 V 7.52 4.68 2.24 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 0.70 0.00 0.00 0.91 0.00 0.00 15 K 8.92 4.65 0.00 1.85 1.58 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.35 7.81 16 I 8.28 4.69 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.89 0.00 0.00 17 T 9.05 4.21 4.25 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 1.23 0.00 0.00 18 A 8.52 4.33 1.30 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 0.00 0.00 0.00 19 S 8.08 4.41 0.00 3.97 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 20 G 7.60 3.69 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 0.00 0.00 0.00 21 K 8.87 4.57 0.00 1.70 1.77 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.39 7.81 22 V 8.18 4.78 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 0.96 0.00 0.00 0.91 0.00 0.00 23 V 9.13 5.27 2.24 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 1.04 0.00 0.00 0.98 0.00 0.00 24 A 8.27 4.99 1.22 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 0.00 0.00 25 M 8.51 4.44 0.00 1.87 1.98 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 2.58 2.50 0.00 26 K 7.73 4.37 0.00 1.75 1.64 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.43 7.81 27 T 8.31 4.04 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 1.16 0.00 0.00 28 G 8.55 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 0.00 0.00 0.00 29 K 7.86 4.15 0.00 1.63 1.67 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 30 R 8.33 3.56 0.00 1.76 1.93 0.00 3.26 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 31 H 9.29 4.01 0.00 3.30 3.66 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.15 2.95 0.00 1.84 2.18 1.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.51 4.68 0.00 3.02 3.18 0.00 0.00 6.89 7.95 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 34 W 7.97 4.34 0.00 3.26 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 35 Q 8.45 3.86 0.00 1.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.15 2.42 0.00 36 K 8.67 3.59 0.00 1.68 1.79 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.24 7.81 37 S 7.35 4.05 0.00 4.20 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 0.00 38 G 9.15 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.09 0.00 2.00 2.00 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.39 7.81 40 E 8.03 4.24 0.00 1.99 1.90 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 2.21 2.34 0.00 41 I 8.03 3.51 1.95 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.84 1.01 0.00 0.00 42 R 7.47 4.01 0.00 2.00 2.00 0.00 3.27 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 43 Q 7.61 4.44 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 44 K 7.47 4.56 0.00 1.76 1.64 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.40 7.81 45 G 7.66 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 46 R 8.29 4.83 0.00 1.71 1.88 0.00 3.23 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 47 K 8.45 4.51 0.00 1.29 1.58 0.00 1.12 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.38 7.81 48 F 7.60 4.87 0.00 3.09 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 49 V 8.07 4.56 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 0.74 0.00 0.00 1.01 0.00 0.00 50 L 7.96 4.70 0.00 1.80 1.48 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.69 4.85 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 52 K 9.12 4.17 0.00 2.01 1.80 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 53 P 0.00 4.50 0.00 2.30 2.29 0.00 3.71 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 2.06 2.24 0.00 54 E 8.31 3.55 0.00 2.19 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 0.00 2.45 2.38 0.00 55 A 7.88 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 3.85 0.00 2.17 2.01 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 2.31 2.38 0.00 57 R 8.77 3.93 0.00 1.94 1.92 0.00 3.05 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 58 I 7.55 3.93 1.86 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 1.82 0.72 0.90 0.00 0.00 59 K 8.13 4.46 0.00 1.85 1.82 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 60 L 7.28 5.19 0.00 1.52 1.59 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.17 4.11 0.00 1.67 1.65 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.05 4.22 0.00 1.75 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.24 0.00 2.23 2.25 0.00 4.07 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 64 Y 8.23 3.06 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.