NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3080 0.0000 0.0000 62.6724 32.6574 174.9567 3 K 4.2507 7.6901 117.3643 54.1539 32.2661 173.0495 4 M 4.2849 9.2863 127.8766 54.8203 33.9308 175.0426 5 K 4.3273 8.4312 125.8754 55.6441 33.2832 176.8806 6 T 4.0448 8.2467 113.6475 61.8090 69.6503 175.4413 7 H 4.3690 9.0858 125.2390 54.6403 28.0204 175.6656 8 K 3.9652 8.2737 126.0801 59.3325 32.0380 178.1295 9 G 3.8765 7.9505 103.3841 48.1689 0.0000 174.6502 10 A 4.1592 9.0139 123.7099 53.9669 18.2753 179.6227 11 K 3.8933 7.6852 117.9022 59.5212 32.7816 178.3856 12 K 4.3962 8.4516 115.2937 56.2926 31.4021 177.0740 13 R 4.6535 7.4539 112.1042 54.7805 31.1709 174.6277 14 V 4.4647 7.0114 116.5340 62.4030 33.5925 171.1809 15 K 4.5265 8.2715 124.1360 54.6302 34.9487 174.4186 16 I 4.5368 8.2225 127.9278 60.4207 38.9515 174.4173 17 T 4.5750 9.1663 124.9684 61.3627 69.8363 176.7540 18 A 3.6202 8.0512 129.5634 55.2661 20.1813 178.8795 19 S 4.2368 8.1448 109.1765 61.1311 63.0012 175.9240 20 G 4.5894 8.0477 119.1532 45.8895 0.0000 172.8599 21 K 3.8855 7.4628 120.7190 56.5770 33.5937 175.9048 22 V 4.6685 7.8813 121.9071 61.3021 33.6293 174.9513 23 V 4.9604 9.3372 129.2756 60.9019 32.9303 174.7694 24 A 4.9276 8.4064 129.4639 50.2443 22.0170 176.2017 25 M 4.4926 8.3173 121.5056 55.2873 32.3523 176.6178 26 K 4.5581 8.4370 123.2427 55.6309 35.1293 176.0260 27 T 4.2113 8.5313 114.6034 60.9527 69.6986 174.0679 28 G 4.0128 7.7566 120.6543 45.9504 0.0000 173.4648 29 K 4.6322 7.3870 118.8617 55.4192 32.0848 175.7903 30 R 4.5303 7.8519 118.1665 56.4334 31.7121 174.8849 31 H 5.2575 7.7447 117.5900 56.6447 28.9255 175.2761 32 L 4.1889 8.1990 120.3795 55.3177 42.2729 176.1440 33 N 3.8803 6.4371 116.3412 49.0732 39.2592 175.3782 34 W 5.1025 7.4969 131.0684 57.7000 27.0741 174.3626 35 Q 3.9225 6.6392 118.4975 53.4614 27.9821 174.3289 36 K 4.4034 7.3029 117.0369 54.2266 36.2771 177.0519 37 S 4.2075 8.7586 118.6434 58.2249 63.5218 175.7469 38 G 3.5620 8.6394 109.8913 48.5151 0.0000 175.0617 39 K 3.6081 7.9308 119.9752 59.6091 31.8710 178.1715 40 E 3.4609 8.2481 115.4478 60.2883 29.9477 179.4943 41 I 3.5651 7.8439 118.6479 64.9916 37.5299 178.5626 42 R 3.8653 8.2437 120.8919 59.3040 31.3774 179.3168 43 Q 4.4434 8.0772 117.5881 55.3627 27.8251 177.6088 44 K 4.6530 7.6124 116.4125 54.9176 33.0271 176.6949 45 G 4.2333 7.1699 107.4482 43.5928 0.0000 170.6557 46 R 4.0896 7.7539 120.1189 52.3504 32.3825 175.7807 47 K 4.4760 9.0761 120.0809 56.4516 36.0123 174.1293 48 F 5.5114 8.6226 121.1387 59.3024 41.2830 175.9587 49 V 4.5229 7.6702 118.7609 62.4249 34.2736 170.3179 50 L 4.5192 7.7248 123.5608 54.1868 45.2354 176.1112 51 A 4.8885 8.8421 130.9698 53.3661 17.7485 179.7252 52 K 3.8591 7.6512 114.5780 57.8877 32.2111 176.5232 53 P 4.3865 0.0000 0.0000 65.2856 31.6993 177.6874 54 E 3.6429 7.6670 118.0761 59.0691 29.0491 179.2127 55 A 3.9374 7.7732 119.5933 55.1015 18.4049 178.4502 56 E 3.9507 7.8617 117.6812 59.9020 29.5789 179.4976 57 R 3.9361 8.7355 118.5863 59.0569 29.9392 178.7580 58 I 3.9275 7.2882 118.7536 63.3545 37.2592 176.7095 59 K 4.5254 7.4615 117.5312 56.0467 32.3960 176.7724 60 L 4.6308 8.0426 119.4519 53.4692 43.0629 175.1804 61 L 4.4071 7.8666 121.3720 57.6205 42.0811 179.2034 62 L 4.1071 7.9938 118.5078 56.0917 41.7760 175.8708 63 P 4.6976 0.0000 0.0000 62.4043 32.9387 176.5694 64 Y 3.1513 8.3251 118.3665 59.4067 37.2075 171.6384 *65 E 4.1515 8.5932 114.7560 56.9984 30.5285 171.3644 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 4.31 0.00 2.19 2.16 0.00 3.76 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 1.89 1.96 0.00 3 K 7.69 4.25 0.00 1.84 1.71 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 M 9.29 4.28 0.00 2.02 1.95 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 2.57 2.56 0.00 5 K 8.43 4.33 0.00 1.79 1.72 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.42 7.81 6 T 8.25 4.04 4.26 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 1.24 0.00 0.00 7 H 9.09 4.37 0.00 3.20 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.27 3.97 0.00 1.81 1.85 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.61 7.81 9 G 7.95 3.88 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 0.00 0.00 0.00 10 A 9.01 4.16 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 11 K 7.69 3.89 0.00 1.70 2.00 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.61 7.81 12 K 8.45 4.40 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.54 7.81 13 R 7.45 4.65 0.00 1.81 1.93 0.00 3.15 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.40 0.00 14 V 7.01 4.46 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 0.56 0.00 0.00 0.93 0.00 0.00 15 K 8.27 4.53 0.00 1.91 1.72 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.61 7.81 16 I 8.22 4.54 1.78 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 1.33 0.98 0.57 0.00 0.00 17 T 9.17 4.58 4.31 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 1.34 0.00 0.00 18 A 8.05 3.62 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 19 S 8.14 4.24 0.00 3.90 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 20 G 8.05 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.46 3.89 0.00 1.75 1.46 0.00 1.80 0.00 0.00 2.31 0.00 0.00 3.41 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.45 7.81 22 V 7.88 4.67 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 0.71 0.00 0.00 0.83 0.00 0.00 23 V 9.34 4.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1.07 0.00 0.00 24 A 8.41 4.93 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 25 M 8.32 4.49 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 26 K 8.44 4.56 0.00 1.69 1.69 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.33 7.81 27 T 8.53 4.21 4.26 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 1.22 0.00 0.00 28 G 7.76 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 0.00 0.00 0.00 29 K 7.39 4.63 0.00 1.83 1.80 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.42 7.81 30 R 7.85 4.53 0.00 1.77 1.92 0.00 3.50 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 31 H 7.74 5.26 0.00 3.34 3.33 0.00 5.57 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.20 4.19 0.00 1.73 1.70 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 33 N 6.44 3.88 0.00 2.89 2.87 0.00 0.00 5.91 8.88 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 34 W 7.50 5.10 0.00 3.56 3.53 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 35 Q 6.64 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 36 K 7.30 4.40 0.00 1.65 1.58 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.28 7.81 37 S 8.76 4.21 0.00 3.96 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 0.00 38 G 8.64 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.93 3.61 0.00 1.77 1.74 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.48 7.81 40 E 8.25 3.46 0.00 2.06 1.81 0.00 0.00 0.00 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 2.36 0.00 41 I 7.84 3.57 1.86 0.00 0.00 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 1.41 0.83 0.92 0.00 0.00 42 R 8.24 3.87 0.00 1.81 2.24 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 43 Q 8.08 4.44 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 44 K 7.61 4.65 0.00 1.95 1.71 0.00 1.54 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 45 G 7.17 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 0.00 0.00 0.00 0.00 46 R 7.75 4.09 0.00 1.74 1.89 0.00 3.21 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 47 K 9.08 4.48 0.00 1.77 1.91 0.00 1.35 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.50 7.81 48 F 8.62 5.51 0.00 2.86 2.96 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 49 V 7.67 4.52 2.03 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 0.59 0.00 0.00 0.86 0.00 0.00 50 L 7.72 4.52 0.00 1.50 1.46 0.86 1.05 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 51 A 8.84 4.89 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 7.65 3.86 0.00 1.96 1.78 0.00 1.58 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.53 7.81 53 P 0.00 4.39 0.00 2.18 2.17 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 54 E 7.67 3.64 0.00 1.87 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 2.29 2.32 0.00 55 A 7.77 3.94 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 56 E 7.86 3.95 0.00 2.26 2.03 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 2.25 2.35 0.00 57 R 8.74 3.94 0.00 1.80 1.92 0.00 3.16 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 58 I 7.29 3.93 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 1.57 0.79 0.90 0.00 0.00 59 K 7.46 4.53 0.00 1.92 1.80 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.35 7.81 60 L 8.04 4.63 0.00 1.44 1.46 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.87 4.41 0.00 1.73 1.78 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.99 4.11 0.00 1.69 1.80 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.70 0.00 2.61 2.19 0.00 3.88 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 2.10 2.04 0.00 64 Y 8.33 3.15 0.00 2.97 3.04 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 *65 E 8.59 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.