NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2912 8.3049 120.3234 55.6904 33.1226 173.2637 2 Q 3.4372 8.1724 118.7622 57.3116 27.8544 174.8857 3 L 3.9642 7.6934 117.4113 57.9559 42.6104 179.5496 4 V 3.5660 7.6242 116.8380 65.8605 31.9627 177.6349 5 L 4.0581 7.7756 118.2264 57.2705 41.5377 179.1011 6 A 3.7326 8.2234 120.9548 55.1200 18.5029 179.5822 7 A 4.0841 8.2150 118.8338 54.3702 18.2451 179.6042 8 K 4.0113 7.6073 117.6108 59.4769 32.1250 178.3868 9 Y 4.1788 8.0702 117.1045 60.5519 37.9673 177.9710 10 I 3.8600 7.8269 120.5867 64.2911 37.1843 178.3073 11 G 3.7743 8.2570 106.3876 47.9638 0.0000 175.4514 12 A 4.1081 7.5745 122.1915 54.5715 18.6211 179.6551 13 G 3.6517 7.8331 104.3680 47.9115 0.0000 176.2069 14 I 3.8223 8.2604 122.4777 64.0998 37.2192 178.5379 15 S 4.3208 7.8887 115.7366 61.1296 62.5042 176.0652 16 T 4.2492 7.7430 117.6783 65.2800 68.3227 176.6874 17 I 3.9216 7.5648 121.1525 63.8186 37.0199 178.2983 18 G 3.7213 7.7750 105.7205 47.3218 0.0000 175.4812 19 L 4.1967 7.8101 120.8787 56.7447 41.5401 178.7237 20 L 4.0813 7.8309 120.9609 58.2546 41.9209 179.2963 21 G 3.5683 8.0194 104.8888 47.7891 0.0000 175.6664 22 A 4.2373 8.0428 122.9914 54.3514 18.5936 179.9086 23 G 3.5245 8.5621 104.9917 48.1870 0.0000 176.1611 24 I 3.9342 7.7233 122.6474 63.6661 36.7470 178.5784 25 G 3.7834 8.1826 106.7130 48.0014 0.0000 175.5659 26 I 3.9546 7.8632 122.2173 64.0507 37.2247 177.9845 27 A 4.0613 7.5521 120.6971 55.6222 18.2635 179.4772 28 I 3.6651 7.8041 117.8582 64.7523 37.3506 178.8896 29 V 3.5910 7.6332 118.3560 66.1754 31.4527 178.2001 30 F 3.9234 8.5893 117.3013 60.1565 38.6516 177.6649 31 A 3.9931 8.7976 120.8433 55.1819 18.2803 179.5654 32 A 4.0412 7.9938 118.7077 54.5530 18.2214 179.7109 33 L 3.7995 7.6258 119.4550 58.2053 42.0788 179.0821 34 I 3.7514 7.7119 113.0064 63.8237 37.4255 177.9622 35 N 4.4724 8.0590 117.9359 56.0291 38.1243 177.3514 36 G 3.6763 8.3071 107.2255 47.0652 0.0000 175.0758 37 V 4.0733 7.4245 118.5984 63.5105 31.5708 177.0001 38 S 4.5276 7.4866 112.4589 59.9116 62.7018 174.3307 39 R 4.4037 7.2238 118.0383 54.4727 31.7013 175.9218 40 N 4.2057 7.8056 117.3294 52.2930 38.3979 171.9005 41 P 4.9622 0.0000 0.0000 62.8562 31.3538 175.7987 42 S 4.6025 8.1343 111.8429 59.9720 62.4095 176.0952 43 I 3.3234 7.2417 119.7187 64.4454 38.4896 173.9850 44 K 4.5714 7.7553 122.5201 55.7667 33.7179 173.3856 45 D 4.4321 9.2856 130.1839 54.7858 42.0932 172.3676 46 T 3.2560 8.4600 121.7479 65.2923 66.3884 174.3084 47 V 3.5956 5.7133 123.7448 65.8926 32.4032 176.5300 48 F 3.9703 7.8809 119.6618 61.8263 39.2028 175.0872 49 P 4.2209 0.0000 0.0000 66.2836 30.9496 177.8822 50 M 3.5516 8.2568 116.3790 58.7219 32.0309 179.1798 51 A 3.8259 8.1456 120.7065 55.3718 18.5999 179.8821 52 I 3.6919 7.9978 118.3147 64.3311 37.0232 178.5365 53 L 4.1234 8.9734 122.7316 57.9631 41.6529 179.2377 54 G 3.6448 8.2810 106.1081 47.4449 0.0000 175.6498 55 F 4.3218 9.1143 123.5053 61.0287 39.5561 177.1057 56 A 3.4364 8.2080 120.4598 55.0991 18.0562 179.5835 57 L 4.0295 7.5355 115.0989 56.8547 41.7646 178.5673 58 S 4.4930 7.5826 112.2746 58.9199 62.9761 174.5215 59 E 4.0488 7.8665 120.3894 56.8681 29.3266 177.3038 60 A 3.9478 7.7131 120.1623 55.2563 18.0204 179.7995 61 T 4.0360 7.5104 114.7524 66.8582 68.5488 177.1128 62 G 3.6259 7.9037 107.1399 47.7727 0.0000 175.5630 63 L 4.0785 7.9329 121.2650 57.2827 41.4744 178.9688 64 F 4.8205 7.7597 115.7025 59.2424 39.2400 176.2512 65 C 4.5111 7.7075 118.1025 61.0107 32.2020 175.0736 66 L 4.2984 8.4316 122.0851 57.6919 41.5517 178.6188 67 M 4.1206 7.8317 117.8223 58.7702 32.1150 178.3519 68 V 3.6722 7.9007 118.1822 65.7138 31.5511 177.9897 69 S 4.1653 7.8918 112.9576 61.3721 62.8360 176.4474 70 F 4.0219 8.7246 121.1229 59.4756 38.4276 177.5658 71 L 4.1349 8.1760 120.1701 57.8076 42.0532 178.0181 72 L 4.3389 7.4999 115.7968 55.3180 41.9208 177.7522 73 L 4.1620 7.0800 118.6575 54.0749 42.3384 176.4539 74 F 4.5575 7.3884 116.5520 55.9307 41.3111 174.7096 *75 G 3.7274 8.5927 113.8505 45.6747 0.0000 171.2983 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 8.30 4.29 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 2 Q 8.17 3.44 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 3 L 7.69 3.96 0.00 1.65 1.69 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.62 3.57 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 0.87 0.00 0.00 0.92 0.00 0.00 5 L 7.78 4.06 0.00 1.70 1.37 0.88 0.90 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 6 A 8.22 3.73 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 7 A 8.21 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.61 4.01 0.00 2.27 2.16 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.51 7.81 9 Y 8.07 4.18 0.00 3.08 2.91 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 10 I 7.83 3.86 1.89 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 1.59 0.62 0.92 0.00 0.00 11 G 8.26 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.11 1.19 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 0.00 0.00 0.00 13 G 7.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.82 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 1.68 1.39 0.91 0.00 0.00 15 S 7.89 4.32 0.00 4.02 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 16 T 7.74 4.25 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 1.24 0.00 0.00 17 I 7.56 3.92 1.88 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 1.46 1.08 0.92 0.00 0.00 18 G 7.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.20 0.00 1.79 1.75 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.83 4.08 0.00 1.81 1.79 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.02 3.57 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 0.00 0.00 0.00 22 A 8.04 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 3.52 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 0.00 0.00 0.00 24 I 7.72 3.93 2.00 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 1.47 0.69 0.93 0.00 0.00 25 G 8.18 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.86 3.95 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.37 1.10 0.00 0.00 27 A 7.55 4.06 1.42 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 0.00 0.00 28 I 7.80 3.67 2.06 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 1.43 1.19 0.94 0.00 0.00 29 V 7.63 3.59 2.30 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 1.00 0.00 0.00 1.02 0.00 0.00 30 F 8.59 3.92 0.00 3.29 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 31 A 8.80 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.63 3.80 0.00 1.63 1.64 0.59 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.71 3.75 1.85 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 1.84 0.58 0.93 0.00 0.00 35 N 8.06 4.47 0.00 2.83 2.91 0.00 0.00 6.99 7.75 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 36 G 8.31 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 0.00 0.00 0.00 37 V 7.42 4.07 2.02 0.00 0.00 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 0.87 0.00 0.00 38 S 7.49 4.53 0.00 3.95 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 39 R 7.22 4.40 0.00 1.91 1.89 0.00 3.31 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 40 N 7.81 4.21 0.00 2.90 2.84 0.00 0.00 6.74 7.40 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 41 P 0.00 4.96 0.00 2.18 2.20 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 42 S 8.13 4.60 0.00 4.03 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 43 I 7.24 3.32 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 1.04 0.00 0.00 44 K 7.76 4.57 0.00 1.79 1.71 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.33 1.43 7.81 45 D 9.29 4.43 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 3.26 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 1.21 0.00 0.00 47 V 5.71 3.60 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 0.92 0.00 0.00 0.96 0.00 0.00 48 F 7.88 3.97 0.00 3.52 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 49 P 0.00 4.22 0.00 2.22 2.04 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 50 M 8.26 3.55 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.59 0.00 51 A 8.15 3.83 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.00 3.69 1.99 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 1.57 0.97 1.09 0.00 0.00 53 L 8.97 4.12 0.00 1.82 1.84 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.28 3.64 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 0.00 0.00 0.00 55 F 9.11 4.32 0.00 3.37 3.32 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 56 A 8.21 3.44 1.33 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 0.00 0.00 57 L 7.54 4.03 0.00 1.58 1.73 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.58 4.49 0.00 3.99 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 59 E 7.87 4.05 0.00 1.59 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 60 A 7.71 3.95 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 61 T 7.51 4.04 4.41 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 1.25 0.00 0.00 62 G 7.90 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.93 4.08 0.00 1.48 1.53 0.77 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.76 4.82 0.00 3.18 2.98 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 65 C 7.71 4.51 0.00 3.34 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 66 L 8.43 4.30 0.00 2.00 1.68 1.13 0.61 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 67 M 7.83 4.12 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 68 V 7.90 3.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 69 S 7.89 4.17 0.00 4.25 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.72 4.02 0.00 3.39 3.36 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 71 L 8.18 4.13 0.00 1.94 1.75 1.04 1.24 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 72 L 7.50 4.34 0.00 1.55 1.80 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.08 4.16 0.00 0.66 0.13 0.21 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.39 4.56 0.00 3.03 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 *75 G 8.59 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.