NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3100 8.4449 118.7967 55.4959 30.9830 174.8708 6 D 4.1356 8.5366 118.6052 53.8486 41.0438 175.3807 7 A 3.9943 9.4087 127.7910 53.1312 19.8442 176.7386 8 L 4.2683 8.3848 120.4192 55.3280 42.1104 176.9268 *10 V 4.0954 7.3836 112.2394 61.5309 32.6559 174.2864 11 T 5.0783 8.2951 118.7521 62.2764 69.9090 175.4456 12 R 4.3294 8.8037 125.8709 55.0974 31.1689 177.0789 13 E 3.8674 8.8118 120.3078 59.4330 29.4261 177.3353 14 D 4.5272 7.9854 114.9313 53.3216 39.8787 176.9856 15 G 3.8566 8.1679 109.7548 45.0607 0.0000 174.0211 16 S 4.2432 8.2259 114.8277 58.2372 64.8645 173.0380 17 F 5.6550 8.9781 118.5416 55.7932 42.1711 174.3922 18 L 5.2347 8.9433 123.2599 53.2801 43.0720 176.1091 19 I 4.8015 8.6494 124.7870 59.1076 40.8004 175.0832 20 D 4.5670 9.3365 127.0690 54.0583 41.9036 177.5551 21 G 3.8990 9.0466 113.7727 47.9869 0.0000 174.9128 22 T 4.1267 8.3743 108.3788 61.8109 69.3514 174.7082 23 L 3.9784 7.7492 126.4073 54.5774 42.6621 174.6249 24 P 4.7889 0.0000 0.0000 62.4531 33.3117 177.5717 25 I 3.7292 8.7223 122.6216 64.5291 36.8785 178.8043 26 E 4.0274 8.1992 119.0376 59.6290 29.3737 179.1448 27 E 4.1585 8.1149 118.0612 59.0974 29.6166 178.8401 28 L 3.8847 8.1452 120.6179 58.2715 42.0776 179.2256 29 R 4.0339 8.5022 118.3422 59.3114 29.9035 178.9844 30 E 3.9387 7.9579 118.2752 59.6435 29.3685 179.7881 31 V 3.7036 7.5904 110.2596 63.2210 31.7193 177.6562 32 L 4.2903 7.7432 117.1086 53.4481 42.1607 176.4462 33 G 4.0644 7.6819 106.3713 46.7264 0.0000 174.8440 34 A 4.2552 8.2673 123.7037 51.9994 18.8356 180.2298 *42 N 4.4857 8.9578 119.2709 54.2319 39.4603 174.4884 43 N 4.8704 8.4750 122.7513 53.4467 37.8665 174.0057 44 Y 4.9738 6.8993 115.1222 56.5964 40.7656 174.0014 45 H 4.9662 8.8806 114.3356 55.0513 30.0958 172.6158 46 T 5.0106 7.4998 108.9537 59.3529 71.8730 173.5702 47 L 3.8403 8.5833 124.2249 58.2516 42.4297 178.3925 48 A 4.1139 8.6101 121.8950 55.2809 18.5600 180.5634 49 G 3.7635 7.9222 102.6284 46.5624 0.0000 175.1391 *51 C 4.4061 8.2632 118.6212 59.5767 30.2408 176.4815 52 I 3.7849 7.7959 120.2086 64.3229 36.3253 178.4288 53 S 4.0548 7.8137 113.1378 61.4272 62.2849 175.4173 54 Y 3.7397 7.3653 120.3544 60.7292 38.6608 177.4565 55 F 4.3077 8.0827 117.1982 57.8876 39.0825 176.3739 56 G 3.8667 8.6895 106.0647 45.7612 0.0000 172.9399 57 R 4.2900 7.4047 113.7139 55.2064 31.3323 173.7683 58 I 3.9681 8.2955 119.8066 59.9107 36.9592 174.7512 59 P 4.2601 0.0000 0.0000 62.4724 32.1037 175.8552 60 H 4.4155 9.5156 117.3369 54.8225 29.4890 175.5470 61 V 3.8597 8.0900 121.8886 64.8464 31.6749 176.3748 62 G 4.1207 9.0573 115.8811 44.5352 0.0000 173.7155 63 E 4.4804 7.9853 119.5959 56.7895 30.7071 175.4297 64 Y 5.7100 8.0968 118.9383 56.4607 41.3928 173.1641 65 F 4.9999 8.7973 114.1601 55.9282 42.2099 172.5250 66 D 5.5418 8.7270 118.5267 52.5652 43.7721 175.9136 67 W 4.8902 9.5737 132.1040 57.2950 33.8848 174.4766 68 A 3.3715 9.3865 129.5182 53.3033 15.4973 177.4891 69 G 3.8730 8.3394 105.0192 46.7107 0.0000 173.4190 70 W 5.1296 8.0878 118.6296 54.5092 33.5341 174.1509 71 R 5.0966 9.1318 123.1748 54.2162 31.7564 174.8904 72 I 4.8459 8.5555 127.5701 59.5459 39.3391 174.0061 73 E 5.2491 9.0589 128.8619 54.1485 32.6076 174.9507 74 I 4.2745 8.8129 128.1378 61.6356 37.6583 176.7571 75 V 4.3720 8.6134 118.8331 61.2812 34.2846 175.3832 76 D 4.7306 7.9204 119.6949 52.8192 44.5542 173.7671 77 L 5.1449 8.5855 124.8411 53.1932 44.8617 176.2399 78 D 4.7319 8.8931 122.2044 53.0113 42.7171 177.6640 79 G 3.7001 8.1255 116.7386 46.8175 0.0000 174.9516 80 A 4.1291 8.7304 128.0516 53.1698 18.7950 178.0639 81 R 3.9736 7.9753 118.0767 55.8770 30.5998 175.7450 82 I 4.2219 8.2346 126.4351 61.0752 36.4468 175.2674 83 D 4.6283 8.8399 125.1418 54.9347 42.1664 175.6150 *85 L 4.5397 7.6840 116.9950 55.3295 43.7863 175.0186 86 L 5.1275 8.8534 123.9247 53.4237 44.5145 174.8895 87 L 5.3902 9.2697 126.4890 53.2192 44.4605 175.4710 88 Q 4.8930 9.1495 122.3432 53.7957 32.7737 174.7824 89 R 2.9869 8.1066 124.1403 55.4513 30.7944 175.9548 90 L 3.9836 8.1979 127.1882 54.6524 42.2873 177.0999 91 N 4.2073 8.5616 119.9851 53.5281 38.3388 174.5174 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 E 8.44 4.31 0.00 2.09 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 0.00 2.17 2.34 0.00 6 D 8.54 4.14 0.00 2.76 2.67 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 7 A 9.41 3.99 1.24 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 0.00 0.00 0.00 8 L 8.38 4.27 0.00 1.73 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *10 V 7.38 4.10 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 0.80 0.00 0.00 0.98 0.00 0.00 11 T 8.30 5.08 4.35 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 1.38 0.00 0.00 12 R 8.80 4.33 0.00 2.04 1.86 0.00 3.17 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 13 E 8.81 3.87 0.00 1.92 1.99 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 2.29 2.32 0.00 14 D 7.99 4.53 0.00 2.77 2.72 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 15 G 8.17 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.23 4.24 0.00 4.06 3.95 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 17 F 8.98 5.65 0.00 2.96 2.77 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 18 L 8.94 5.23 0.00 1.55 1.62 0.95 1.10 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 19 I 8.65 4.80 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 0.90 0.00 0.00 20 D 9.34 4.57 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.05 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.37 4.13 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 1.23 0.00 0.00 23 L 7.75 3.98 0.00 1.80 1.54 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.79 0.00 2.21 1.99 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 25 I 8.72 3.73 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.27 1.10 0.00 0.00 26 E 8.20 4.03 0.00 2.03 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 0.00 2.43 2.44 0.00 27 E 8.11 4.16 0.00 2.08 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 0.00 2.39 2.29 0.00 28 L 8.15 3.88 0.00 1.72 1.90 0.81 0.69 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 29 R 8.50 4.03 0.00 2.12 2.02 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.14 0.00 30 E 7.96 3.94 0.00 2.08 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 2.33 2.61 0.00 31 V 7.59 3.70 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 0.66 0.00 0.00 0.76 0.00 0.00 32 L 7.74 4.29 0.00 1.39 1.14 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.68 4.06 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 0.00 34 A 8.27 4.26 0.76 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 0.00 0.00 *42 N 8.96 4.49 0.00 2.22 2.12 0.00 0.00 6.72 8.00 0.00 0.00 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 N 8.48 4.87 0.00 2.87 2.91 0.00 0.00 5.65 7.55 0.00 0.00 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 Y 6.90 4.97 0.00 2.96 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 45 H 8.88 4.97 0.00 3.29 3.50 0.00 5.39 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.50 5.01 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 1.06 0.00 0.00 47 L 8.58 3.84 0.00 1.50 1.83 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.61 4.11 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 49 G 7.92 3.76 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 0.00 0.00 0.00 *51 C 8.26 4.41 0.00 3.30 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 52 I 7.80 3.78 1.87 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 1.62 0.93 0.93 0.00 0.00 53 S 7.81 4.05 0.00 3.99 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.37 3.74 0.00 2.08 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 0.00 0.00 0.00 55 F 8.08 4.31 0.00 3.23 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 56 G 8.69 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 57 R 7.40 4.29 0.00 1.87 1.89 0.00 3.04 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 58 I 8.30 3.97 1.84 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 1.46 0.53 0.93 0.00 0.00 59 P 0.00 4.26 0.00 1.60 0.66 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 60 H 9.52 4.42 0.00 3.21 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.09 3.86 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 0.90 0.00 0.00 0.93 0.00 0.00 62 G 9.06 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 63 E 7.99 4.48 0.00 1.78 1.74 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 2.25 2.26 0.00 64 Y 8.10 5.71 0.00 3.02 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 65 F 8.80 5.00 0.00 2.23 2.28 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 66 D 8.73 5.54 0.00 2.72 2.67 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 67 W 9.57 4.89 0.00 3.47 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 68 A 9.39 3.37 0.36 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 69 G 8.34 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 70 W 8.09 5.13 0.00 3.53 3.20 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 0.00 71 R 9.13 5.10 0.00 1.84 1.74 0.00 2.76 0.00 0.00 2.35 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 72 I 8.56 4.85 0.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.35 0.75 0.00 0.00 73 E 9.06 5.25 0.00 2.04 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 2.26 2.54 0.00 74 I 8.81 4.27 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.91 0.00 0.00 75 V 8.61 4.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 76 D 7.92 4.73 0.00 2.75 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.59 5.14 0.00 1.52 1.69 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.89 4.73 0.00 2.64 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 79 G 8.13 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.73 4.13 1.28 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 0.00 0.00 81 R 7.98 3.97 0.00 1.87 1.95 0.00 3.09 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 82 I 8.23 4.22 1.88 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 1.31 0.63 0.94 0.00 0.00 83 D 8.84 4.63 0.00 2.84 2.89 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 0.00 0.00 0.00 0.00 *85 L 7.68 4.54 0.00 1.64 1.62 1.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.85 5.13 0.00 1.74 1.53 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.27 5.39 0.00 1.72 1.77 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.15 4.89 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 89 R 8.11 2.99 0.00 0.67 1.22 0.00 2.75 0.00 0.00 2.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 90 L 8.20 3.98 0.00 1.49 1.49 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.56 4.21 0.00 2.61 2.67 0.00 0.00 6.93 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 * Residues marked with a * may have inaccurate shift predictions.