NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.0705 8.4104 110.3328 61.5531 69.4889 172.5394 4 A 4.2344 7.5486 124.1080 53.0154 23.5620 175.5673 5 Y 4.4885 8.5332 112.6261 58.2166 39.0720 174.3780 6 D 4.6820 7.8884 120.4329 55.1923 41.4599 178.2965 7 V 3.8321 7.6610 119.2627 64.6879 33.1114 175.5711 8 I 4.4660 7.6567 120.9134 60.5710 37.5725 174.8038 9 L 4.7157 9.3410 126.8290 55.8839 42.9978 176.5486 10 A 5.0657 7.9631 117.4924 49.6121 23.4478 172.4795 11 P 4.7418 0.0000 0.0000 62.3288 32.6212 176.5368 12 V 3.7744 7.9280 122.8430 62.1646 32.1952 176.0510 13 L 4.4214 8.6903 128.8151 53.1150 41.6219 176.0137 14 S 4.4157 6.8636 117.1670 55.3230 67.3884 174.3049 15 E 3.9117 8.6433 122.2068 59.8954 28.9448 179.8078 16 K 3.9897 7.7616 117.4543 59.1052 32.5688 178.4267 17 A 4.0844 7.3606 120.7029 55.3517 18.3505 179.0168 18 Y 2.7572 7.3221 114.9810 61.2530 37.6512 179.1380 19 A 3.9727 8.1341 120.8089 55.2500 18.3616 179.5724 20 G 3.8577 8.6682 103.8160 47.0288 0.0000 176.0373 21 F 4.3135 8.8134 119.6157 60.8351 39.1561 176.7676 22 A 4.1103 7.7599 122.2937 54.8441 18.9900 176.8204 23 E 4.6547 7.5176 117.8134 54.9126 30.4177 175.3702 24 G 4.2017 9.4206 108.0652 46.2557 0.0000 171.7381 25 K 4.7738 6.9677 125.1155 50.7168 37.7727 171.4041 26 Y 4.9665 7.7383 113.8709 56.0857 41.8269 173.5013 27 T 4.6135 8.5500 112.1183 60.6910 70.3838 173.8646 28 F 5.0230 8.4493 125.0875 54.9624 43.1157 174.6317 29 W 4.5140 8.6782 121.6317 57.6686 29.7099 175.9563 30 V 4.6692 7.8439 126.4872 60.8758 33.6902 173.8054 31 H 4.5004 8.8818 120.5581 55.4834 30.0115 174.0152 32 P 4.2967 0.0000 0.0000 65.0505 31.8391 176.6190 33 K 4.5523 7.9490 119.8676 57.3009 33.7673 176.9362 34 A 3.7866 8.5979 121.8050 53.5493 16.3704 177.9406 35 T 4.0159 8.7775 117.4781 65.7342 68.0048 175.1497 36 K 4.5932 7.1710 118.8255 54.6174 33.7281 176.5617 37 T 3.8629 8.7201 119.8797 65.6437 69.1740 173.5580 38 E 4.6376 7.9454 121.9545 56.3717 29.6808 177.9137 39 I 3.9459 7.5821 113.7942 63.2778 38.1211 175.4580 40 K 3.5801 7.9673 119.1317 61.0887 31.6841 177.2863 41 N 4.8398 8.0460 119.6353 52.8645 38.4691 175.7530 42 A 4.3024 9.6602 122.9420 54.9449 21.4126 179.6331 43 V 3.5903 8.3713 115.8959 65.7720 32.2778 177.9953 44 E 3.9741 8.3810 120.7665 59.0974 29.6900 178.0936 45 T 4.4377 6.8975 106.1657 60.9215 69.2991 175.0354 46 A 4.6039 7.5422 121.7205 53.8304 24.0578 177.5470 47 F 4.8938 7.6874 113.6380 57.6090 40.6178 176.5785 48 K 4.0317 7.9498 116.4183 57.3112 28.5674 172.9289 49 V 4.6438 7.6338 113.7629 59.5774 37.0636 176.0123 50 K 4.6977 8.4155 122.4045 54.7488 34.1244 174.9694 51 V 4.2156 9.1797 129.0334 62.8050 31.7149 175.7852 52 V 4.3336 8.1661 125.8155 62.6773 33.4534 175.1247 53 K 4.2933 7.4678 117.6131 56.0613 35.4878 173.4462 54 V 4.8550 8.6485 127.1932 61.2350 33.3306 174.1719 55 N 5.3037 9.2955 125.2561 51.8262 41.6909 173.7531 56 T 5.2841 8.2531 110.0467 60.4706 72.1947 172.9063 57 L 4.8259 8.8379 121.6378 53.8909 46.6303 175.3334 58 H 5.1697 8.8476 118.7236 54.7200 30.9820 177.0143 59 V 4.5432 9.4560 115.6770 60.9147 35.3283 180.3895 60 R 3.1924 9.1070 122.0587 56.9877 29.1251 174.9201 61 G 4.2975 8.1501 112.2154 45.6724 0.0000 172.2526 62 K 3.8671 8.3852 119.8810 57.4289 32.6987 176.2324 63 K 4.8356 8.3426 125.0839 54.9388 36.2013 174.3741 64 K 4.7398 8.2019 120.4014 56.1768 35.1040 176.1749 65 R 4.2341 8.7637 124.6137 56.8514 32.9101 173.1215 66 L 4.3249 9.2226 130.5566 55.0249 41.3403 175.1869 67 G 4.0541 7.3726 101.2961 44.7802 0.0000 176.2584 68 R 4.9251 8.9807 120.2320 57.5587 32.4548 168.5120 69 Y 3.4884 8.4275 123.2361 58.0078 37.3843 168.9559 70 L 4.7079 8.3764 125.3218 53.4970 45.9567 178.0391 71 G 3.7106 7.9070 109.3617 46.1795 0.0000 172.5379 72 K 4.4262 7.5850 119.2030 55.4609 35.5845 175.8216 73 R 4.9596 7.8276 113.6404 55.5097 31.2209 171.9373 74 P 4.2700 0.0000 0.0000 61.9207 30.9836 175.4694 75 D 4.6819 8.9634 125.2638 55.2176 42.5516 175.2569 76 R 4.8870 9.9039 119.0192 55.7600 33.4302 172.5086 77 K 4.5378 8.3561 116.0184 55.0816 34.6157 174.2132 78 K 4.4677 8.0254 117.0128 56.7842 33.7243 176.1071 79 A 4.7235 8.0684 126.2103 51.3844 19.4017 177.0929 80 I 3.9968 9.2510 123.1849 61.5649 39.4983 172.9309 81 V 3.8885 7.8224 128.0199 60.5388 32.3252 171.3444 82 Q 3.9304 9.0543 125.8931 55.7366 29.4362 176.8813 83 V 3.5341 8.0676 113.8048 65.1085 31.6681 174.7388 84 A 4.3182 9.3085 131.0961 52.6304 15.3805 177.9368 85 P 4.2802 0.0000 0.0000 65.4572 31.4530 177.3858 86 G 4.0175 7.3497 108.0144 45.1967 0.0000 173.2386 87 Q 4.5520 7.7490 122.8745 54.1276 32.0836 174.4026 88 K 3.4451 9.6136 117.1636 58.4348 31.2312 176.3831 89 I 3.5022 8.4151 121.1112 61.5280 35.2131 175.0412 90 E 3.9858 7.4968 119.5099 59.2720 29.5903 177.7733 91 A 4.1565 7.8757 119.9505 53.4458 18.7718 177.0072 92 L 4.3541 7.4416 116.7837 54.4729 43.3722 176.4700 93 E 3.4438 9.6731 123.1989 57.0733 27.2963 172.5972 94 G 3.4498 7.3776 109.8229 46.9691 0.0000 173.5751 *95 L 4.1219 7.8272 123.9512 53.6827 41.6291 178.9998 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 3 T 8.41 5.07 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 1.20 0.00 0.00 4 A 7.55 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.53 4.49 0.00 2.94 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 6 D 7.89 4.68 0.00 2.69 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 7 V 7.66 3.83 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 0.96 0.00 0.00 0.87 0.00 0.00 8 I 7.66 4.47 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.33 0.85 0.00 0.00 9 L 9.34 4.72 0.00 1.86 1.80 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.96 5.07 1.51 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 0.00 0.00 11 P 0.00 4.74 0.00 2.12 2.17 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 12 V 7.93 3.77 1.87 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 0.44 0.00 0.00 -0.70 0.00 0.00 13 L 8.69 4.42 0.00 1.72 1.75 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.86 4.42 0.00 3.84 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 15 E 8.64 3.91 0.00 2.02 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 2.47 0.00 16 K 7.76 3.99 0.00 1.68 1.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.46 7.81 17 A 7.36 4.08 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.32 2.76 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 19 A 8.13 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 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 21 F 8.81 4.31 0.00 2.85 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.76 4.11 1.36 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 23 E 7.52 4.65 0.00 1.95 1.81 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 2.25 2.29 0.00 24 G 9.42 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 25 K 6.97 4.77 0.00 1.73 2.03 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 1.43 7.81 26 Y 7.74 4.97 0.00 3.15 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 27 T 8.55 4.61 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 28 F 8.45 5.02 0.00 2.94 3.11 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 29 W 8.68 4.51 0.00 3.56 3.16 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 0.00 0.00 0.00 0.00 30 V 7.84 4.67 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 0.97 0.00 0.00 1.08 0.00 0.00 31 H 8.88 4.50 0.00 3.25 3.19 0.00 5.84 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 32 P 0.00 4.30 0.00 2.15 2.11 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 33 K 7.95 4.55 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.45 7.81 34 A 8.60 3.79 1.26 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 0.00 0.00 35 T 8.78 4.02 4.66 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 1.34 0.00 0.00 36 K 7.17 4.59 0.00 2.04 1.90 0.00 1.47 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.57 7.81 37 T 8.72 3.86 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 1.20 0.00 0.00 38 E 7.95 4.64 0.00 1.93 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 2.29 2.36 0.00 39 I 7.58 3.95 1.81 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 1.48 0.75 0.96 0.00 0.00 40 K 7.97 3.58 0.00 1.76 1.86 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 41 N 8.05 4.84 0.00 2.84 2.86 0.00 0.00 5.69 7.26 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 42 A 9.66 4.30 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.59 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 0.91 0.00 0.00 0.39 0.00 0.00 44 E 8.38 3.97 0.00 2.18 1.78 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 2.35 2.66 0.00 45 T 6.90 4.44 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 1.19 0.00 0.00 46 A 7.54 4.60 0.93 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 0.00 0.00 47 F 7.69 4.89 0.00 3.10 2.98 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 48 K 7.95 4.03 0.00 1.88 2.05 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 V 7.63 4.64 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 0.74 0.00 0.00 1.04 0.00 0.00 50 K 8.42 4.70 0.00 1.81 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.39 7.81 51 V 9.18 4.22 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 0.78 0.00 0.00 0.92 0.00 0.00 52 V 8.17 4.33 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 0.97 0.00 0.00 53 K 7.47 4.29 0.00 1.82 1.58 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 54 V 8.65 4.86 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 0.87 0.00 0.00 0.99 0.00 0.00 55 N 9.30 5.30 0.00 2.65 2.67 0.00 0.00 6.14 6.78 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 56 T 8.25 5.28 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 1.26 0.00 0.00 57 L 8.84 4.83 0.00 1.66 1.58 0.96 0.99 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 58 H 8.85 5.17 0.00 3.08 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.46 4.54 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 1.10 0.00 0.00 1.22 0.00 0.00 60 R 9.11 3.19 0.00 1.92 2.25 0.00 3.27 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 61 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 62 K 8.39 3.87 0.00 1.50 1.63 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 1.16 7.81 63 K 8.34 4.84 0.00 1.65 1.70 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 64 K 8.20 4.74 0.00 1.68 1.60 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.42 7.81 65 R 8.76 4.23 0.00 1.75 1.74 0.00 3.53 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 66 L 9.22 4.32 0.00 1.87 1.86 0.92 0.89 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 67 G 7.37 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 68 R 8.98 4.93 0.00 1.51 1.80 0.00 2.39 0.00 0.00 3.74 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 69 Y 8.43 3.49 0.00 3.12 2.98 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 70 L 8.38 4.71 0.00 1.54 1.65 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.91 3.71 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 0.00 0.00 0.00 72 K 7.59 4.43 0.00 1.80 1.67 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.42 7.81 73 R 7.83 4.96 0.00 2.10 2.18 0.00 3.19 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 74 P 0.00 4.27 0.00 2.08 1.91 0.00 3.96 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 75 D 8.96 4.68 0.00 2.91 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 76 R 9.90 4.89 0.00 1.58 2.19 0.00 2.53 0.00 0.00 2.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 77 K 8.36 4.54 0.00 1.74 2.28 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.07 7.81 78 K 8.03 4.47 0.00 1.79 1.91 0.00 1.24 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.42 7.81 79 A 8.07 4.72 1.30 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 80 I 9.25 4.00 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 1.29 1.24 0.93 0.00 0.00 81 V 7.82 3.89 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 0.94 0.00 0.00 82 Q 9.05 3.93 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 83 V 8.07 3.53 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 0.75 0.00 0.00 0.94 0.00 0.00 84 A 9.31 4.32 1.45 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 0.00 0.00 85 P 0.00 4.28 0.00 2.06 2.16 0.00 4.06 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 2.11 2.11 0.00 86 G 7.35 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 0.00 0.00 0.00 87 Q 7.75 4.55 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 5.88 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 88 K 9.61 3.45 0.00 2.03 1.86 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.56 7.81 89 I 8.42 3.50 1.86 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 1.39 0.72 0.87 0.00 0.00 90 E 7.50 3.99 0.00 1.95 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 2.41 2.49 0.00 91 A 7.88 4.16 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 92 L 7.44 4.35 0.00 1.67 1.61 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.67 3.44 0.00 1.97 1.82 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 2.22 2.04 0.00 94 G 7.38 3.45 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 0.00 0.00 0.00 *95 L 7.83 4.12 0.00 1.42 1.50 0.92 0.71 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 * Residues marked with a * may have inaccurate shift predictions.