NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5615 8.2893 120.3482 55.5034 33.5038 175.2254 2 N 4.7777 8.5424 124.5458 49.9617 41.1351 173.8084 3 K 3.8640 9.1738 120.9938 60.1697 32.5746 179.8970 4 T 3.8519 7.9115 115.3635 66.8444 68.4530 176.3372 5 E 4.0093 8.7494 120.6012 59.0789 29.3512 179.1897 6 L 3.9642 7.9852 120.5115 58.2048 42.1168 178.9968 7 I 3.7170 8.0021 119.9582 64.5465 37.0333 178.1650 8 N 4.3128 8.3112 116.9467 56.2739 38.4027 177.3545 9 A 3.9920 8.1326 122.1693 55.0789 18.4864 179.8502 10 V 3.5159 8.2269 116.9572 65.9777 31.7025 178.0730 11 A 3.9875 8.2986 120.8082 55.3321 18.0486 179.4704 12 E 3.9296 8.0945 115.9382 59.6594 29.6468 179.2672 13 T 4.2001 7.9372 108.3339 63.4346 69.3439 176.2848 14 S 4.5068 8.1753 115.6707 58.1776 63.8094 175.3068 15 G 3.9138 7.9599 109.8890 45.2186 0.0000 173.5767 16 L 4.3051 7.1548 119.0284 53.8200 42.6554 177.3801 17 S 4.4752 8.2084 115.4923 57.8965 65.3832 175.3951 18 K 4.0884 8.4859 121.5964 59.2800 31.8461 179.6321 19 K 3.9497 7.9332 119.6718 59.6396 32.2337 178.5496 20 D 4.3474 7.9732 118.7237 57.2746 40.7394 178.5671 21 A 3.9953 8.4839 121.7586 55.3172 18.2876 179.9198 22 T 3.8182 7.9899 114.2593 66.7299 68.5750 176.9211 23 K 3.8980 7.9024 119.7300 59.5782 32.1250 179.2435 24 A 3.9562 8.1562 120.9466 55.0577 18.3458 179.9104 25 V 3.5166 7.9477 116.7731 66.2044 31.6663 178.0311 26 D 4.4132 8.3149 118.4683 57.4108 40.6015 178.6120 27 A 4.0197 8.1198 121.2736 54.9814 18.3147 179.7322 28 V 3.2723 7.6289 116.6506 66.3208 31.6014 178.4262 29 F 4.1617 7.5925 117.1299 60.5019 38.7151 177.5764 30 D 4.4023 8.7617 119.0398 57.3233 40.4994 178.9987 31 S 4.0894 8.3118 116.0115 61.6638 62.8473 176.7653 32 I 3.6178 7.7194 122.4454 64.6476 36.7246 178.6625 33 T 3.8317 7.9415 116.5615 66.5004 68.2791 176.3885 34 E 3.8787 8.3509 121.0303 59.1502 29.6339 178.5762 35 A 4.0108 8.1935 121.0253 55.3314 18.3645 179.6624 36 L 3.9522 7.9325 117.4214 57.7554 41.4437 179.4801 37 R 3.9007 7.9458 117.9265 59.5981 30.1255 178.3654 38 K 4.2416 7.9316 115.5740 57.2643 32.0516 178.0225 39 G 3.8371 8.1355 107.8105 45.5398 0.0000 172.9741 40 D 4.7729 7.9576 119.3557 53.2624 42.6536 175.3772 41 K 4.8074 8.4898 120.0484 54.5269 34.7406 176.1884 42 V 4.2978 8.7356 124.4941 61.6055 33.2458 174.4559 43 Q 4.8694 8.8239 127.7640 54.3111 30.7198 175.3552 44 L 4.8299 8.6213 125.6940 52.3482 44.1324 176.5740 45 I 3.8023 8.5140 118.0400 62.7114 37.8411 174.5399 46 G 4.3377 9.2385 114.3763 45.7431 0.0000 174.7790 47 F 4.3476 8.0330 121.6687 58.0101 40.2868 176.3882 48 G 3.6642 6.9434 104.3577 46.4270 0.0000 169.5186 49 N 5.6958 7.9174 116.3948 51.3902 42.6540 173.9687 50 F 5.5659 9.1822 120.9199 56.0617 42.3028 174.4101 51 E 5.0050 9.2298 119.2486 55.7357 33.4617 173.6102 52 V 4.9172 8.3689 119.7223 61.2317 33.7647 174.7379 53 R 4.7730 9.0533 126.2613 54.3694 33.5297 174.1181 54 E 4.9223 8.6979 123.1612 54.8289 31.5983 174.8388 55 R 4.5173 9.0933 127.6935 54.7318 31.5900 175.4261 56 A 4.4269 8.6896 128.2065 51.7961 19.1217 176.9316 57 A 4.3736 8.6528 123.0072 52.3649 19.3478 177.0776 58 R 4.1731 8.8237 114.7718 56.2864 32.3338 174.5777 *69 M 4.3317 8.4806 116.6090 55.5640 33.4037 174.6385 70 E 3.7400 8.4361 111.7597 57.2525 26.5352 175.0686 71 I 4.5008 8.5060 119.9194 58.6214 40.2768 174.0978 72 P 4.8730 0.0000 0.0000 62.3167 32.2096 175.8581 73 A 4.6081 8.4059 122.0099 52.2537 19.4310 176.7106 74 S 4.6788 8.6873 112.4952 57.1765 67.0937 172.8702 75 K 5.0337 8.5626 119.7477 54.7322 34.2575 175.9642 76 V 4.5239 8.8337 124.5497 60.2796 34.1423 172.8928 77 P 5.0619 0.0000 0.0000 62.8809 32.3656 175.3543 78 A 4.9698 9.4657 123.3663 50.4349 23.2697 174.4789 79 F 5.1519 8.7636 120.3449 56.2543 42.8075 174.1268 80 K 4.2432 8.1754 125.2490 53.4020 34.5026 173.9124 81 P 3.9773 0.0000 0.0000 62.4488 32.2136 176.5961 82 G 3.7621 8.6403 110.2818 45.2387 0.0000 174.4714 83 K 3.8946 8.7858 120.5993 59.4548 32.0987 178.6157 84 A 3.9705 7.9203 120.3246 55.2186 18.3704 179.2670 85 L 3.9448 7.6327 118.7047 58.1187 41.7600 179.1718 86 K 3.9348 8.1222 118.5407 59.7012 31.7576 179.0376 87 D 4.4457 8.2513 118.1512 57.0646 40.8327 178.3925 88 A 4.1606 7.8436 120.7027 54.6315 18.4299 179.4613 89 V 3.8836 7.4920 116.5904 63.5656 31.9580 176.4458 90 K 4.1185 7.5386 121.7307 57.0706 32.3335 176.4669 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 8.29 4.56 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.54 4.78 0.00 2.98 2.92 0.00 0.00 6.21 6.12 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 3 K 9.17 3.86 0.00 1.78 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 T 7.91 3.85 4.38 0.00 0.00 0.00 0.00 0.00 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 5 E 8.75 4.01 0.00 2.15 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 2.33 2.51 0.00 6 L 7.99 3.96 0.00 1.78 1.86 0.95 0.94 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 7 I 8.00 3.72 2.04 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 1.55 0.75 0.94 0.00 0.00 8 N 8.31 4.31 0.00 2.94 3.02 0.00 0.00 6.94 6.40 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 9 A 8.13 3.99 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.23 3.52 2.21 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 0.99 0.00 0.00 1.01 0.00 0.00 11 A 8.30 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.93 0.00 2.06 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 2.35 2.36 0.00 13 T 7.94 4.20 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 1.22 0.00 0.00 14 S 8.18 4.51 0.00 4.04 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 15 G 7.96 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 0.00 0.00 0.00 16 L 7.15 4.31 0.00 1.66 1.60 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.21 4.48 0.00 4.04 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 0.00 18 K 8.49 4.09 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 19 K 7.93 3.95 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 20 D 7.97 4.35 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 4.00 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 22 T 7.99 3.82 4.42 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 1.22 0.00 0.00 23 K 7.90 3.90 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 A 8.16 3.96 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 25 V 7.95 3.52 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 1.21 0.00 0.00 1.01 0.00 0.00 26 D 8.31 4.41 0.00 2.89 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 27 A 8.12 4.02 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 28 V 7.63 3.27 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.77 0.00 0.00 29 F 7.59 4.16 0.00 3.13 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 30 D 8.76 4.40 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.09 0.00 3.93 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 32 I 7.72 3.62 1.70 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 1.41 0.58 0.43 0.00 0.00 33 T 7.94 3.83 4.38 0.00 0.00 0.00 0.00 0.00 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 34 E 8.35 3.88 0.00 2.20 2.07 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 2.30 2.36 0.00 35 A 8.19 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.95 0.00 1.88 1.76 0.98 1.00 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 37 R 7.95 3.90 0.00 1.94 2.22 0.00 3.26 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 38 K 7.93 4.24 0.00 2.03 1.86 0.00 1.67 0.00 0.00 2.01 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.50 7.81 39 G 8.14 3.84 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 0.00 0.00 0.00 40 D 7.96 4.77 0.00 2.70 2.75 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 0.00 0.00 0.00 0.00 41 K 8.49 4.81 0.00 1.69 1.73 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 42 V 8.74 4.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.99 0.00 0.00 43 Q 8.82 4.87 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 44 L 8.62 4.83 0.00 1.96 1.72 1.15 0.53 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 45 I 8.51 3.80 1.90 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 1.38 0.57 0.93 0.00 0.00 46 G 9.24 4.34 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 0.00 47 F 8.03 4.35 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 6.94 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 49 N 7.92 5.70 0.00 2.46 2.66 0.00 0.00 7.28 8.10 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 50 F 9.18 5.57 0.00 3.06 3.02 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 51 E 9.23 5.01 0.00 2.06 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 2.23 2.29 0.00 52 V 8.37 4.92 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 0.86 0.00 0.00 1.04 0.00 0.00 53 R 9.05 4.77 0.00 1.77 1.78 0.00 3.17 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 54 E 8.70 4.92 0.00 1.98 1.84 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 2.22 2.42 0.00 55 R 9.09 4.52 0.00 1.89 1.88 0.00 3.16 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 56 A 8.69 4.43 1.23 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 57 A 8.65 4.37 1.23 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 58 R 8.82 4.17 0.00 1.93 1.98 0.00 2.81 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 *69 M 8.48 4.33 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 70 E 8.44 3.74 0.00 2.17 2.07 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 2.20 2.26 0.00 71 I 8.51 4.50 1.97 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 1.36 0.98 0.91 0.00 0.00 72 P 0.00 4.87 0.00 2.07 2.07 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 73 A 8.41 4.61 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 74 S 8.69 4.68 0.00 3.90 3.92 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 75 K 8.56 5.03 0.00 1.66 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 76 V 8.83 4.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.95 0.00 0.00 77 P 0.00 5.06 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 78 A 9.47 4.97 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 79 F 8.76 5.15 0.00 2.71 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 80 K 8.18 4.24 0.00 1.31 1.38 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.17 7.81 81 P 0.00 3.98 0.00 1.91 1.98 0.00 3.43 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 82 G 8.64 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 83 K 8.79 3.89 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 84 A 7.92 3.97 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 85 L 7.63 3.94 0.00 1.64 1.68 0.95 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.12 3.93 0.00 1.96 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.59 7.81 87 D 8.25 4.45 0.00 2.71 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 88 A 7.84 4.16 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 89 V 7.49 3.88 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 0.82 0.00 0.00 0.94 0.00 0.00 90 K 7.54 4.12 0.00 1.93 1.97 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.