NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2953 8.1727 120.0795 56.2879 34.1101 174.0932 3 L 4.7279 8.1311 124.4336 53.9639 43.9554 173.4245 4 A 4.2410 8.1120 124.3177 51.4988 24.0135 174.4793 5 V 4.6565 8.2891 118.1740 61.0834 35.2676 174.9595 6 V 4.3351 8.6418 126.9510 62.6615 31.7540 176.4591 7 T 4.3915 8.7980 118.0370 61.0049 70.2547 175.2902 8 G 4.0147 7.1394 108.6212 46.5106 0.0000 170.8698 9 Q 4.9055 8.2698 116.6474 55.1195 31.4662 174.1466 10 I 4.4865 8.6897 122.5170 59.8341 39.3901 175.3118 11 V 4.2984 8.3250 124.8934 61.4509 33.5865 174.8370 12 C 4.7260 8.6317 125.6652 58.0283 29.2858 173.8697 13 T 3.8674 8.5421 122.3590 65.5608 68.3366 175.0904 14 V 4.1551 7.6075 121.5429 61.1930 31.4418 174.4559 15 R 4.6734 8.0048 122.3449 54.2358 32.7920 174.2216 16 H 4.0846 8.6685 117.9941 56.5184 30.3122 175.8206 17 H 4.3248 8.7418 123.8350 58.8923 28.7367 177.3498 18 G 3.8511 8.4924 106.2803 47.2057 0.0000 173.8758 19 L 4.2614 8.2869 119.6574 54.6067 43.4217 178.2659 20 A 3.7712 7.8655 121.4289 53.8291 17.6833 177.7292 21 H 4.8041 8.9869 113.9667 57.5690 30.6123 172.8030 22 D 4.6308 7.6626 118.9130 54.4590 41.4429 176.3925 23 K 4.2767 8.4836 122.1680 56.3013 34.1783 175.7860 24 L 4.9609 8.4544 124.2817 52.7152 43.8166 174.6436 25 L 5.2340 8.6684 127.8952 53.9603 44.5525 177.3704 *27 V 4.2275 8.2633 118.9337 62.6278 33.3308 174.1286 28 E 5.4573 8.1834 123.2998 54.0761 33.1585 173.9677 *30 I 3.9746 8.3660 117.6084 61.1052 38.4144 175.2094 31 D 4.6364 8.5826 125.0108 51.6586 40.2931 175.4534 32 P 4.2655 0.0000 0.0000 65.3186 31.0771 176.6823 33 Q 4.3553 8.3646 118.7389 55.3646 29.3300 175.1694 34 G 4.1743 8.1308 102.1198 45.8934 0.0000 174.4079 35 N 5.0222 8.8590 115.4099 50.4977 43.3220 173.1830 36 P 4.5550 0.0000 0.0000 62.9315 33.2234 173.9367 37 D 4.8271 8.4607 122.5653 53.1422 37.9354 177.8918 38 G 3.8176 7.7069 103.9212 46.0370 0.0000 171.0747 39 Q 3.9311 8.0593 119.5056 56.3684 28.3481 175.0528 40 C 5.3963 8.3131 119.4047 57.9755 30.9772 173.3339 41 A 4.6006 8.4875 123.5118 51.1349 22.5040 174.8323 42 V 4.6607 8.3327 116.9049 61.2803 33.7730 174.9847 43 A 4.9878 8.8099 128.8904 49.9347 22.6075 174.9702 44 I 4.3917 8.2679 120.9607 60.8322 39.6089 174.2770 45 D 5.1901 9.1007 127.2969 52.3111 44.6034 175.5650 46 N 5.1773 8.7952 120.1223 52.7214 38.4965 174.5393 47 I 4.2525 9.1212 110.5688 60.4583 38.7243 174.8880 48 G 3.5642 8.1330 107.1488 46.2786 0.0000 173.8810 49 A 4.3716 9.2682 121.2629 51.0240 20.2894 178.1430 50 G 4.0146 8.8373 112.1007 43.7312 0.0000 172.7110 51 T 4.1331 8.1790 114.4675 62.9261 67.4810 174.1432 52 G 4.2023 9.0545 117.6817 45.3488 0.0000 173.4338 53 E 4.7122 8.0323 119.8236 55.5263 31.5662 175.9637 54 W 5.0580 8.8141 121.9005 56.5159 31.4146 175.6677 55 V 5.1020 9.0039 115.3763 59.9904 36.7506 173.5916 56 L 5.0162 8.6255 123.0325 53.6141 43.9666 175.0647 57 L 5.2965 9.0134 127.0485 53.0792 43.8716 176.3714 58 V 4.6926 8.7438 121.5250 59.9721 34.9371 174.3819 59 S 5.2569 7.6313 115.4497 55.9107 66.5404 175.0157 60 G 3.7739 8.6384 106.6530 46.3092 0.0000 175.6651 61 S 4.1534 8.5700 113.3162 61.6132 63.0046 176.6419 62 S 4.1639 8.1722 117.9025 60.9232 62.4725 176.3835 63 A 4.0072 7.9353 123.7077 54.9321 18.5094 179.4636 64 R 3.8737 7.9954 116.1071 59.6985 30.0789 179.0575 65 Q 3.9488 8.1411 117.0607 59.0456 28.6371 178.7573 66 A 4.0195 7.5844 119.3677 55.1376 18.3449 178.0994 67 H 4.5585 7.9032 116.5703 57.2140 30.1621 175.0638 68 K 4.4825 8.1774 119.7756 57.1229 37.0946 175.9989 69 S 5.3336 7.4672 110.6104 59.6372 66.1507 175.8196 70 E 4.3788 8.9793 120.6978 57.9159 29.4758 177.0481 71 T 4.2921 7.5908 115.7679 64.3684 69.6116 175.5368 72 S 4.0898 7.4267 116.3654 58.7577 63.5209 173.5809 73 P 4.6035 0.0000 0.0000 62.3728 30.6973 176.0449 74 V 4.5289 7.2231 109.6677 60.6174 36.0117 175.5266 75 D 4.9513 8.3661 119.3254 52.6932 41.4973 174.7251 76 L 4.7507 7.5232 121.3717 54.8387 45.2271 173.2941 77 C 5.3148 9.2150 127.2160 57.4612 35.4098 173.0503 78 V 4.3707 8.4089 126.5300 61.4220 31.5756 175.8425 79 I 4.4025 8.4808 118.6807 59.9459 38.4425 175.3232 80 G 4.0733 7.3664 107.7822 46.1293 0.0000 172.8049 81 I 4.7223 8.3371 121.8432 58.8659 39.3330 175.8520 82 V 3.6904 8.3366 128.2453 63.6138 31.4431 175.5899 83 D 4.7518 8.9942 127.9109 56.7353 42.1864 175.9435 84 E 5.2818 7.6248 112.1039 55.8555 32.2325 175.3298 85 V 4.5731 8.9349 120.5231 61.1975 34.9421 174.2662 86 V 4.5972 8.5963 126.5973 62.9004 33.9763 172.4908 87 S 4.3473 9.0186 118.6086 58.7600 63.2212 175.6430 88 G 3.8097 9.0657 109.4817 45.3994 0.0000 175.0572 89 G 4.3009 8.1546 102.3389 45.7879 0.0000 172.9340 90 Q 4.4608 7.5355 118.6226 53.1283 31.3332 175.3558 91 V 4.1161 8.5453 123.6231 62.1158 31.6830 175.8030 92 I 4.2144 8.9094 119.2704 62.1753 39.0174 176.1280 93 F 4.5969 7.8918 123.7495 56.3741 42.6409 172.9692 94 H 4.6859 7.2374 123.7940 53.9575 33.2919 172.7631 95 K 3.9474 8.1420 126.2729 55.3802 32.0938 176.7546 96 L 4.3098 7.9094 126.6020 54.8466 42.5151 176.8034 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 K 8.17 4.30 0.00 1.68 1.73 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.42 7.81 3 L 8.13 4.73 0.00 1.63 1.32 0.97 0.74 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 4 A 8.11 4.24 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.29 4.66 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 1.15 0.00 0.00 0.31 0.00 0.00 6 V 8.64 4.34 2.29 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 1.02 0.00 0.00 0.98 0.00 0.00 7 T 8.80 4.39 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 1.23 0.00 0.00 8 G 7.14 4.01 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 0.00 0.00 0.00 9 Q 8.27 4.91 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 10 I 8.69 4.49 1.87 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 1.11 0.49 0.91 0.00 0.00 11 V 8.32 4.30 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 0.83 0.00 0.00 0.94 0.00 0.00 12 C 8.63 4.73 0.00 2.94 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 13 T 8.54 3.87 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 1.22 0.00 0.00 14 V 7.61 4.16 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 0.84 0.00 0.00 0.93 0.00 0.00 15 R 8.00 4.67 0.00 1.90 1.96 0.00 3.08 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 1.49 1.62 0.00 16 H 8.67 4.08 0.00 3.16 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.74 4.32 0.00 3.21 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.49 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 0.00 0.00 0.00 19 L 8.29 4.26 0.00 1.87 1.72 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.87 3.77 1.04 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 0.00 0.00 21 H 8.99 4.80 0.00 3.09 3.29 0.00 5.91 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.66 4.63 0.00 2.65 2.85 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 23 K 8.48 4.28 0.00 1.85 1.67 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 L 8.45 4.96 0.00 1.78 1.55 0.91 0.52 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 25 L 8.67 5.23 0.00 1.56 1.29 1.04 1.00 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 *27 V 8.26 4.23 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 0.65 0.00 0.00 0.93 0.00 0.00 28 E 8.18 5.46 0.00 1.95 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 2.10 2.04 0.00 *30 I 8.37 3.97 1.36 0.00 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.11 0.28 0.00 0.00 31 D 8.58 4.64 0.00 2.79 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 32 P 0.00 4.27 0.00 2.20 2.23 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 33 Q 8.36 4.36 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 34 G 8.13 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 0.00 0.00 0.00 0.00 35 N 8.86 5.02 0.00 2.89 2.67 0.00 0.00 6.84 8.07 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 36 P 0.00 4.55 0.00 2.27 1.99 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 37 D 8.46 4.83 0.00 2.76 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 0.00 0.00 0.00 38 G 7.71 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 3.93 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 40 C 8.31 5.40 0.00 2.79 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 41 A 8.49 4.60 1.17 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 0.00 0.00 42 V 8.33 4.66 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 0.86 0.00 0.00 0.92 0.00 0.00 43 A 8.81 4.99 1.22 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 0.00 0.00 0.00 44 I 8.27 4.39 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.18 0.85 0.00 0.00 45 D 9.10 5.19 0.00 2.75 2.44 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 46 N 8.80 5.18 0.00 2.82 3.13 0.00 0.00 5.94 7.81 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 47 I 9.12 4.25 1.89 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 1.49 0.75 0.93 0.00 0.00 48 G 8.13 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.27 4.37 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 50 G 8.84 4.01 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 0.00 0.00 0.00 51 T 8.18 4.13 4.27 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 1.24 0.00 0.00 52 G 9.05 4.20 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 0.00 0.00 0.00 53 E 8.03 4.71 0.00 2.13 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 2.40 2.37 0.00 54 W 8.81 5.06 0.00 2.77 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 55 V 9.00 5.10 2.16 0.00 0.00 0.00 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 0.95 0.00 0.00 56 L 8.63 5.02 0.00 1.77 1.50 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.01 5.30 0.00 1.46 1.53 0.87 0.86 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 58 V 8.74 4.69 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 0.94 0.00 0.00 0.94 0.00 0.00 59 S 7.63 5.26 0.00 3.88 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 60 G 8.64 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 61 S 8.57 4.15 0.00 4.25 4.13 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 62 S 8.17 4.16 0.00 4.08 3.96 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 63 A 7.94 4.01 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 64 R 8.00 3.87 0.00 2.00 2.25 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 65 Q 8.14 3.95 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 66 A 7.58 4.02 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 67 H 7.90 4.56 0.00 3.24 3.49 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.18 4.48 0.00 1.46 1.61 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.38 7.81 69 S 7.47 5.33 0.00 4.00 3.93 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 70 E 8.98 4.38 0.00 1.98 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 2.30 2.27 0.00 71 T 7.59 4.29 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 72 S 7.43 4.09 0.00 4.04 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 73 P 0.00 4.60 0.00 1.99 1.83 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 74 V 7.22 4.53 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 0.64 0.00 0.00 0.87 0.00 0.00 75 D 8.37 4.95 0.00 2.68 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 76 L 7.52 4.75 0.00 1.68 1.61 0.95 0.73 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 77 C 9.22 5.31 0.00 2.95 2.68 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 78 V 8.41 4.37 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 0.85 0.00 0.00 0.98 0.00 0.00 79 I 8.48 4.40 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 1.30 0.72 0.97 0.00 0.00 80 G 7.37 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 0.00 0.00 0.00 81 I 8.34 4.72 1.91 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 1.27 0.75 0.98 0.00 0.00 82 V 8.34 3.69 2.23 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 0.91 0.00 0.00 1.05 0.00 0.00 83 D 8.99 4.75 0.00 2.63 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 84 E 7.62 5.28 0.00 1.96 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 85 V 8.93 4.57 2.24 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 1.06 0.00 0.00 1.14 0.00 0.00 86 V 8.60 4.60 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 0.86 0.00 0.00 0.95 0.00 0.00 87 S 9.02 4.35 0.00 3.91 3.56 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 0.00 0.00 0.00 0.00 88 G 9.07 3.81 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 0.00 0.00 0.00 89 G 8.15 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 0.00 0.00 0.00 0.00 90 Q 7.54 4.46 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 91 V 8.55 4.12 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 0.72 0.00 0.00 0.98 0.00 0.00 92 I 8.91 4.21 1.98 0.00 0.00 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 1.41 0.77 1.03 0.00 0.00 93 F 7.89 4.60 0.00 2.27 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 0.00 0.00 0.00 0.00 94 H 7.24 4.69 0.00 2.90 2.75 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.14 3.95 0.00 1.83 1.63 0.00 2.14 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.44 7.81 96 L 7.91 4.31 0.00 1.48 1.41 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.