NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6723 8.2833 118.0798 53.1111 40.6265 172.5710 3 I 4.7979 8.0391 124.3464 59.2337 39.3306 173.1566 4 Y 4.6462 10.3830 126.5289 56.3382 41.4383 174.4553 5 T 5.0410 8.3187 119.6148 61.7668 71.4265 173.4267 6 F 4.5363 9.6748 125.7301 55.6641 41.4538 174.3519 7 D 4.8297 8.4746 125.1462 53.3568 41.9150 176.1923 8 F 4.1551 9.4066 124.7123 58.1553 38.6907 176.6815 9 D 4.5615 8.5225 120.2862 56.0902 40.8896 177.0158 10 E 4.4695 7.7983 115.8675 55.8502 30.6426 175.5671 11 I 4.3201 7.3315 120.1712 59.6373 38.6668 174.3417 12 E 4.6441 9.7944 125.2966 57.3632 31.3774 177.0107 13 S 4.8867 7.9492 112.1806 56.5541 66.9595 174.8699 14 Q 4.1990 8.4496 120.7734 58.8256 28.3871 178.7211 15 E 4.2864 8.1988 118.5370 59.3579 29.8345 178.6329 16 D 4.3981 8.1787 119.9352 57.2922 40.9317 178.6435 17 F 3.9910 8.0803 120.8651 61.4383 39.3317 176.7890 18 Y 4.5672 7.9984 116.4731 61.2225 37.5700 178.9788 19 R 4.0029 8.2465 119.0512 59.2428 30.1656 178.4694 20 D 4.3091 8.0660 117.8737 57.3153 41.2276 178.0536 21 F 4.2359 8.5296 121.3812 61.5538 39.2988 177.2714 22 S 4.2732 8.5357 114.8622 61.7078 62.6175 176.7847 23 Q 3.9496 8.4931 121.0949 59.1450 28.2434 178.6132 24 T 3.5909 7.7762 115.8428 66.5858 68.5889 175.7666 25 F 4.3063 7.5814 115.7441 55.9771 39.4964 175.8368 26 G 3.9986 7.7669 106.6418 46.4205 0.0000 174.3243 27 L 4.2328 8.0515 117.4880 53.5511 42.9517 177.4693 28 A 4.2194 8.2550 123.5605 51.4312 19.1101 177.0963 29 K 4.0641 8.3748 120.6527 58.1152 32.4833 177.1220 30 D 4.5530 8.9267 123.2150 54.5252 39.0321 174.7401 31 K 3.9453 7.8877 120.3141 58.6393 32.2903 176.7437 32 V 4.2738 7.6020 117.3221 61.1580 33.1806 174.5432 33 R 4.4500 8.4578 121.4869 55.4183 31.4216 173.8572 34 D 4.0225 6.7232 117.0301 51.3027 42.1715 175.9579 35 L 4.0035 8.5108 118.1955 58.1014 41.4692 179.3346 36 D 4.3927 8.0342 118.5252 57.4997 40.8610 178.9447 37 S 4.1346 9.0355 115.0764 61.0904 62.9788 176.1677 38 L 3.7693 7.9813 124.0697 57.7159 41.6351 178.6969 39 W 4.1308 8.3186 127.1880 60.7621 30.6730 177.3637 40 D 4.3015 8.0851 117.7100 56.9795 40.2448 178.6786 41 V 3.7171 7.4150 118.2011 65.7301 31.7053 179.9184 42 L 4.0360 7.2095 117.1360 54.3439 41.7226 177.1391 *44 N 4.4219 8.1375 113.1927 54.3926 40.0328 174.0135 45 D 4.3290 7.9883 112.3856 55.5487 38.7309 174.9659 46 V 4.0711 7.6596 116.8146 63.1089 32.8271 175.2766 47 L 4.4080 7.4157 118.8169 53.0334 43.1355 175.8977 48 P 4.6926 0.0000 0.0000 62.3050 29.7512 177.0184 49 L 4.2416 7.4879 117.6408 54.3146 42.7062 175.9323 50 P 5.3866 0.0000 0.0000 62.1390 32.3497 175.4144 51 L 5.1069 8.4036 122.4087 54.8396 44.6975 173.6458 52 E 5.3715 10.2087 120.3434 54.6100 33.3267 173.9529 53 I 5.2114 9.3209 127.6740 59.9639 39.6614 174.2414 54 E 5.2249 10.0488 127.3055 54.6103 32.4691 174.8888 55 F 5.9748 9.1271 123.4396 56.1853 41.4242 175.3288 56 V 4.6467 8.9416 116.4528 59.6543 35.7578 174.9379 57 H 4.0877 8.4813 116.3849 57.3377 25.8722 175.6554 58 L 4.5003 7.9339 119.9367 53.3705 43.4714 176.1839 59 G 4.0630 8.2957 112.8372 42.7612 0.0000 173.2329 60 E 4.0740 8.6200 120.0278 59.5040 29.3946 179.1304 61 K 3.9619 8.0475 117.6509 59.7949 32.1900 179.3962 62 T 4.0058 7.9013 109.5326 64.7661 68.6200 176.1230 63 R 3.8635 8.6717 121.6963 59.3471 30.3215 178.1534 64 R 4.0324 8.0823 118.3209 59.4534 29.8924 178.5092 65 R 3.8717 7.9939 117.5585 58.5115 30.1518 177.2532 66 F 4.7769 8.3772 117.2421 57.3937 39.7480 178.1202 67 G 3.6569 7.9222 108.7736 47.8161 0.0000 176.1079 68 A 3.9721 7.9168 122.4312 55.1394 18.5353 179.5910 69 L 3.9850 7.9272 117.0274 57.8747 41.7566 179.6408 70 I 3.7893 8.1542 120.0001 64.3351 37.0894 178.2045 71 L 3.9567 8.1464 121.2955 58.0422 41.8972 178.7312 72 L 3.8039 7.9402 120.2403 58.2667 42.0369 179.0456 73 F 3.9839 7.9878 117.6343 60.2262 38.5968 177.5428 74 D 4.5657 8.1054 118.7976 57.5657 40.6466 178.6928 75 E 4.0914 8.4961 118.8817 59.2622 29.3262 179.2479 76 A 4.1563 8.2292 121.0673 54.8985 18.3076 179.2939 77 E 4.0755 8.4645 118.1940 59.3587 29.4677 178.6497 78 E 4.0303 7.8927 118.5037 59.0931 29.7777 178.1716 79 E 4.2937 8.1109 117.8939 58.4466 29.8357 177.6387 80 L 4.3931 8.2408 118.8108 54.5331 43.4431 177.0059 81 E 3.7303 9.0328 113.5172 57.9032 28.2964 176.0963 82 G 4.0486 8.3233 109.1973 47.4998 0.0000 173.7205 83 H 4.4509 8.7301 117.6613 57.8151 28.9529 174.5211 84 L 5.3971 7.5510 119.6905 53.1773 44.6647 175.8533 85 R 5.5111 8.9979 124.1935 53.6204 33.7117 174.5648 86 F 5.4300 9.0655 124.3731 56.7017 42.2214 173.6644 87 N 4.5508 8.5026 122.7249 51.2728 42.7005 173.7669 88 V 4.2477 7.8309 123.3756 61.0142 32.0045 175.4604 89 R 3.8929 8.2350 127.4098 57.6219 30.8631 176.8079 90 H 4.2372 8.7224 120.5350 56.7624 30.7773 174.3887 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 N 8.28 4.67 0.00 2.85 2.66 0.00 0.00 6.84 6.44 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 3 I 8.04 4.80 1.74 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 1.26 0.15 0.95 0.00 0.00 4 Y 10.38 4.65 0.00 3.14 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.32 5.04 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 1.23 0.00 0.00 6 F 9.67 4.54 0.00 3.25 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 7 D 8.47 4.83 0.00 2.72 2.52 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 8 F 9.41 4.16 0.00 3.21 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 9 D 8.52 4.56 0.00 2.84 2.73 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 10 E 7.80 4.47 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 11 I 7.33 4.32 0.92 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.60 0.00 0.00 12 E 9.79 4.64 0.00 2.16 2.05 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 2.30 2.40 0.00 13 S 7.95 4.89 0.00 4.39 4.02 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 0.00 0.00 0.00 14 Q 8.45 4.20 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 15 E 8.20 4.29 0.00 2.28 2.39 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 2.44 2.42 0.00 16 D 8.18 4.40 0.00 3.04 2.78 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 17 F 8.08 3.99 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 4.57 0.00 3.33 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 19 R 8.25 4.00 0.00 2.06 2.02 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 20 D 8.07 4.31 0.00 2.92 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 21 F 8.53 4.24 0.00 2.55 3.17 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 0.00 22 S 8.54 4.27 0.00 4.14 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 23 Q 8.49 3.95 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 24 T 7.78 3.59 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 0.19 0.00 0.00 25 F 7.58 4.31 0.00 2.76 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.05 4.23 0.00 1.71 1.67 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.26 4.22 1.27 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 0.00 0.00 29 K 8.37 4.06 0.00 1.74 1.75 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 30 D 8.93 4.55 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 3.95 0.00 1.82 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.46 7.81 32 V 7.60 4.27 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 0.93 0.00 0.00 1.06 0.00 0.00 33 R 8.46 4.45 0.00 1.84 1.90 0.00 3.14 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 34 D 6.72 4.02 0.00 2.79 2.66 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 35 L 8.51 4.00 0.00 1.70 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.03 4.39 0.00 2.78 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 37 S 9.04 4.13 0.00 4.17 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 38 L 7.98 3.77 0.00 1.91 1.76 0.79 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.32 4.13 0.00 3.30 3.23 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 40 D 8.09 4.30 0.00 2.67 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 41 V 7.41 3.72 2.22 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 0.86 0.00 0.00 1.00 0.00 0.00 42 L 7.21 4.04 0.00 1.27 1.34 0.36 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *44 N 8.14 4.42 0.00 2.74 2.83 0.00 0.00 7.34 8.06 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 45 D 7.99 4.33 0.00 2.73 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 46 V 7.66 4.07 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 0.81 0.00 0.00 0.92 0.00 0.00 47 L 7.42 4.41 0.00 1.54 1.28 0.64 0.54 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 48 P 0.00 4.69 0.00 2.28 2.18 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 49 L 7.49 4.24 0.00 1.63 1.62 0.91 1.18 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 50 P 0.00 5.39 0.00 1.98 2.04 0.00 3.74 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 51 L 8.40 5.11 0.00 2.23 2.02 1.08 0.69 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 52 E 10.21 5.37 0.00 2.01 1.85 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 2.29 2.50 0.00 53 I 9.32 5.21 2.10 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 1.12 0.00 0.00 54 E 10.05 5.22 0.00 2.17 1.95 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 2.23 2.46 0.00 55 F 9.13 5.97 0.00 2.79 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 56 V 8.94 4.65 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 0.74 0.00 0.00 0.98 0.00 0.00 57 H 8.48 4.09 0.00 3.38 3.53 0.00 5.67 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.93 4.50 0.00 1.44 1.50 0.13 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.30 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 60 E 8.62 4.07 0.00 2.05 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 2.40 2.46 0.00 61 K 8.05 3.96 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.46 7.81 62 T 7.90 4.01 4.53 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 1.35 0.00 0.00 63 R 8.67 3.86 0.00 2.03 2.04 0.00 3.46 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 64 R 8.08 4.03 0.00 2.10 2.15 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 65 R 7.99 3.87 0.00 1.86 1.70 0.00 2.80 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 66 F 8.38 4.78 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.92 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 0.00 0.00 0.00 68 A 7.92 3.97 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 69 L 7.93 3.99 0.00 1.99 1.85 0.04 0.89 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 70 I 8.15 3.79 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.03 1.14 0.00 0.00 71 L 8.15 3.96 0.00 1.88 1.74 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.94 3.80 0.00 1.62 1.69 0.91 0.20 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 73 F 7.99 3.98 0.00 1.81 1.65 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 74 D 8.11 4.57 0.00 2.92 2.81 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 0.00 0.00 0.00 75 E 8.50 4.09 0.00 2.15 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 2.32 2.56 0.00 76 A 8.23 4.16 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 77 E 8.46 4.08 0.00 2.24 2.25 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 2.39 2.66 0.00 78 E 7.89 4.03 0.00 2.03 2.25 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 2.36 2.44 0.00 79 E 8.11 4.29 0.00 2.01 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 2.78 2.89 0.00 80 L 8.24 4.39 0.00 1.79 1.68 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.03 3.73 0.00 2.07 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 0.00 2.17 2.09 0.00 82 G 8.32 4.05 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 0.00 0.00 0.00 83 H 8.73 4.45 0.00 3.37 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.55 5.40 0.00 1.76 1.58 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.00 5.51 0.00 1.88 1.84 0.00 3.18 0.00 0.00 3.23 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.00 86 F 9.07 5.43 0.00 2.92 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 87 N 8.50 4.55 0.00 2.49 2.47 0.00 0.00 6.11 7.09 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 88 V 7.83 4.25 1.94 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 0.77 0.00 0.00 0.64 0.00 0.00 89 R 8.24 3.89 0.00 1.78 1.87 0.00 3.47 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 90 H 8.72 4.24 0.00 3.27 3.28 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.