NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.4273 8.2549 117.2834 55.3676 32.2600 174.3958 9 P 4.1598 0.0000 0.0000 64.7144 30.3788 178.6156 10 F 3.8569 8.3722 120.8393 58.7341 36.4792 175.6966 11 S 4.5022 8.3342 112.8911 58.3471 67.1010 177.5664 12 D 4.4845 7.6800 124.4447 57.8356 39.7249 183.2393 13 I 3.7654 7.4441 119.8245 64.6534 37.0763 178.5923 14 I 2.3802 7.2940 118.0355 63.1082 36.9465 177.3197 15 T 4.4779 7.7017 114.4035 62.7985 68.9533 175.6104 16 S 4.1381 7.4645 116.7103 61.8073 62.6354 174.0210 17 V 4.4065 8.1449 123.5991 63.5484 30.1999 172.7238 18 R 3.9892 8.0451 118.3447 59.3239 29.8223 177.1897 19 Y 4.0731 7.8153 119.6304 60.8006 38.6464 178.1096 20 W 4.6982 8.6179 119.0494 60.8249 29.1413 177.7451 21 V 3.6474 8.0588 117.1999 66.1824 30.8347 177.6043 22 I 3.6052 8.1942 118.6042 65.1389 37.2317 178.2412 23 H 4.0844 8.1966 116.6269 58.7355 28.3854 177.6371 24 S 4.1766 8.6901 114.1778 61.4255 61.4572 175.8148 25 I 4.0923 7.6287 121.7256 63.6886 37.2254 178.2968 26 T 4.0108 7.6589 116.4080 66.9869 68.4257 176.5209 27 I 3.7138 8.3771 122.0252 64.0419 37.0106 176.2962 28 P 4.2533 0.0000 0.0000 65.8916 31.1082 178.1968 29 A 3.9846 7.2872 118.7394 55.4699 18.4673 179.5782 30 L 4.1002 7.9801 116.9521 58.0578 41.7703 179.0865 31 F 4.0100 8.8884 120.8566 61.9041 39.1011 177.3969 32 I 3.9574 8.9774 119.4584 63.8937 36.8945 178.0949 33 A 4.1788 8.1339 122.0119 55.2197 18.1609 179.9779 34 G 3.5887 8.0768 103.6976 47.7436 0.0000 175.5258 35 W 4.0610 8.0353 130.7353 59.5204 30.5752 177.6407 36 L 4.3587 7.8460 118.4122 57.1282 41.7167 178.5799 37 F 4.5163 8.6267 120.8319 60.7710 38.9600 177.3789 38 V 3.3010 7.8374 117.6504 65.6132 31.5933 177.8171 39 S 4.1802 7.2626 113.0280 62.7089 62.8117 176.0032 40 T 3.7605 8.3507 115.9988 64.4278 68.3118 174.0235 41 G 4.2130 7.9889 119.6689 45.7866 0.0000 174.1552 42 L 3.9524 7.8293 121.8561 58.2004 41.6743 178.9068 43 A 3.8054 6.1139 120.0741 55.8919 18.2377 178.8085 44 Y 4.1640 7.6595 114.6076 61.1309 37.7904 178.2597 45 D 4.4712 9.2650 123.1280 56.8737 41.1453 178.7444 46 V 3.8603 8.4895 119.2268 64.8294 32.1608 176.4536 47 F 4.4086 8.0320 115.0125 56.5769 38.7568 176.0046 48 G 4.1539 8.0250 106.6164 46.2647 0.0000 174.1770 49 T 4.0314 7.8026 108.7920 60.9668 69.2605 172.0732 50 P 4.3422 0.0000 0.0000 61.1170 32.2263 176.5836 51 R 4.0508 8.1682 122.0130 55.2206 30.7514 176.2648 52 P 4.1668 0.0000 0.0000 65.9517 31.8714 177.9802 53 D 4.1874 8.0787 117.1059 57.1821 41.0128 176.7968 54 S 4.3975 8.7814 112.7458 58.5327 63.3504 173.0840 55 Y 4.1631 7.2550 119.9917 59.2568 39.1971 174.3577 56 Y 4.0217 7.9698 123.0783 58.4539 35.5207 170.2806 57 A 5.5581 9.8659 135.0000 53.1826 20.2541 176.7823 58 Q 3.4789 7.9439 114.8402 57.5827 26.2432 173.2768 59 E 5.1385 7.5953 109.7761 54.1374 32.5404 175.0786 60 Q 4.5196 7.8527 115.2495 54.8114 28.9861 172.6396 61 R 4.3408 7.5329 122.2378 54.7112 32.4241 175.0335 62 S 4.8906 8.9549 114.2188 61.1903 64.6728 178.8990 63 I 3.6989 7.6447 117.2794 60.9107 32.6590 172.5074 64 P 4.2879 0.0000 0.0000 62.8538 32.3932 177.4032 65 L 4.2417 8.1737 119.6804 55.1501 42.9807 176.9228 *66 V 3.9936 8.1018 119.0414 61.5160 33.5446 176.0964 *67 T 4.2236 8.1692 114.8611 61.3181 70.2871 174.0930 *68 D 4.5136 8.3592 123.0880 53.6907 41.8155 176.1765 *69 R 4.2136 8.2492 120.3400 56.6587 31.3846 175.9724 *70 F 4.4854 8.2176 116.3724 56.6002 39.8741 174.3546 *72 A 4.3046 8.1877 126.3189 52.0140 20.4535 179.1809 73 K 3.9214 8.2496 123.3324 61.3080 31.5094 184.2725 74 Q 4.3315 8.4515 122.9068 60.9532 27.8689 181.6099 75 Q 4.2323 8.1829 123.1825 61.0449 28.1749 182.9838 76 V 3.9025 8.2507 123.9448 66.4534 31.7352 180.7252 77 E 4.2273 8.8923 122.7639 62.2533 29.5432 181.2175 78 T 4.0859 8.5885 118.0777 66.8298 68.2926 178.1658 *79 F 4.2327 8.4752 124.9179 62.5866 38.1415 180.2217 80 L 4.2569 8.1537 125.5827 60.1889 40.4268 181.6110 81 E 4.2385 8.6138 120.6107 62.4571 29.7447 181.1208 82 Q 4.1182 8.8750 122.5446 60.2571 27.9507 180.9233 83 L 4.2719 8.4783 129.0461 60.1369 41.4652 180.9085 84 K 4.5401 7.6531 126.5521 57.1190 31.8411 179.6558 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 8 R 8.25 4.43 0.00 1.95 2.05 0.00 2.99 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 9 P 0.00 4.16 0.00 2.45 1.87 0.00 3.66 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 2.17 2.20 0.00 10 F 8.37 3.86 0.00 2.91 3.03 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 0.00 0.00 0.00 11 S 8.33 4.50 0.00 3.87 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 12 D 7.68 4.48 0.00 2.71 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 13 I 7.44 3.77 1.58 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.24 1.04 0.00 0.00 14 I 7.29 2.38 1.63 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.16 0.64 0.00 0.00 15 T 7.70 4.48 4.46 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 0.00 0.00 1.24 0.00 0.00 16 S 7.46 4.14 0.00 3.79 4.07 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 17 V 8.14 4.41 2.17 0.00 0.00 0.00 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 1.08 0.00 0.00 18 R 8.05 3.99 0.00 1.97 1.97 0.00 3.27 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 19 Y 7.82 4.07 0.00 2.93 2.84 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 0.00 0.00 0.00 20 W 8.62 4.70 0.00 3.77 3.29 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 21 V 8.06 3.65 2.34 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 1.06 0.00 0.00 1.13 0.00 0.00 22 I 8.19 3.61 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.04 0.69 0.00 0.00 23 H 8.20 4.08 0.00 2.86 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.69 4.18 0.00 4.16 4.15 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 0.00 0.00 0.00 0.00 25 I 7.63 4.09 2.04 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 1.53 0.93 0.91 0.00 0.00 26 T 7.66 4.01 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 27 I 8.38 3.71 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 1.00 0.00 0.00 28 P 0.00 4.25 0.00 2.15 2.08 0.00 3.80 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 2.11 2.13 0.00 29 A 7.29 3.98 1.53 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 0.00 0.00 30 L 7.98 4.10 0.00 1.95 1.77 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.89 4.01 0.00 3.16 3.25 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 32 I 8.98 3.96 1.95 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 1.50 1.43 0.96 0.00 0.00 33 A 8.13 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 3.59 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 35 W 8.04 4.06 0.00 3.40 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 36 L 7.85 4.36 0.00 2.11 1.81 1.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.63 4.52 0.00 3.10 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.30 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.90 0.00 0.00 39 S 7.26 4.18 0.00 3.88 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 40 T 8.35 3.76 4.22 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 1.22 0.00 0.00 41 G 7.99 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.83 3.95 0.00 1.33 2.04 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 A 6.11 3.81 0.74 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 0.00 0.00 0.00 0.00 0.00 44 Y 7.66 4.16 0.00 3.08 2.76 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 45 D 9.26 4.47 0.00 2.56 2.74 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 0.00 0.00 0.00 46 V 8.49 3.86 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 0.32 0.00 0.00 0.99 0.00 0.00 47 F 8.03 4.41 0.00 3.45 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 48 G 8.02 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.80 4.03 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 1.33 0.00 0.00 50 P 0.00 4.34 0.00 0.65 1.38 0.00 3.61 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 51 R 8.17 4.05 0.00 1.54 1.41 0.00 2.80 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 52 P 0.00 4.17 0.00 2.22 2.18 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 53 D 8.08 4.19 0.00 2.57 2.59 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 54 S 8.78 4.40 0.00 3.80 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 55 Y 7.25 4.16 0.00 2.86 2.37 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 56 Y 7.97 4.02 0.00 3.25 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 0.00 0.00 0.00 0.00 57 A 9.87 5.56 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 58 Q 7.94 3.48 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 7.64 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 59 E 7.60 5.14 0.00 2.07 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 0.00 2.05 2.12 0.00 60 Q 7.85 4.52 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 61 R 7.53 4.34 0.00 1.60 1.51 0.00 2.87 0.00 0.00 2.76 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.24 0.00 62 S 8.95 4.89 0.00 3.84 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 63 I 7.64 3.70 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.89 0.97 0.00 0.00 64 P 0.00 4.29 0.00 2.07 2.05 0.00 3.80 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 65 L 8.17 4.24 0.00 1.60 1.35 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *66 V 8.10 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 *67 T 8.17 4.22 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 *68 D 8.36 4.51 0.00 2.44 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 *69 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *70 F 8.22 4.49 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.19 4.30 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 73 K 8.25 3.92 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 74 Q 8.45 4.33 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 75 Q 8.18 4.23 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.04 0.00 76 V 8.25 3.90 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 0.71 0.00 0.00 0.93 0.00 0.00 77 E 8.89 4.23 0.00 1.92 2.00 0.00 0.00 0.00 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 2.21 0.00 78 T 8.59 4.09 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 *79 F 8.48 4.23 0.00 2.28 2.36 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 80 L 8.15 4.26 0.00 1.63 1.72 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.61 4.24 0.00 2.00 1.91 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 2.26 2.21 0.00 82 Q 8.88 4.12 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 83 L 8.48 4.27 0.00 1.73 1.64 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.65 4.54 0.00 1.87 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.