NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3530 8.2393 119.0581 55.4279 30.6906 177.4845 8 P 2.9700 0.0000 0.0000 61.3815 33.0016 174.2394 9 N 5.0457 8.3772 118.6084 51.8917 43.4163 175.0603 10 H 4.4431 8.9938 119.5227 58.6898 30.1373 175.4036 11 T 5.2804 8.7070 114.7762 61.8865 71.1071 174.0199 12 I 4.8858 8.3975 118.1199 59.3220 40.7198 173.6807 13 Y 4.0256 8.6355 126.7652 56.3853 40.2106 173.9456 14 I 4.6283 7.5340 128.1063 59.4838 40.0439 174.7303 15 N 5.5202 8.0794 123.7405 50.2981 41.2715 173.9037 16 N 4.0301 8.7182 114.5731 54.9167 37.1020 174.0652 17 L 4.5343 7.7458 114.7364 52.8500 43.0717 176.2362 18 N 4.4329 8.6425 120.4207 53.8019 39.1183 175.7143 19 E 4.0212 8.7059 125.3320 58.4129 30.0325 178.3150 20 K 4.0546 7.7714 117.9250 58.6415 32.2939 177.4306 21 I 3.8127 6.8264 120.3094 60.0471 37.7313 176.6923 22 K 4.1963 8.2952 124.8657 56.1315 34.6680 177.7667 23 K 3.7814 8.5681 120.5974 60.1653 32.1293 178.2424 24 D 4.4032 8.0254 117.3242 56.9459 41.2492 177.5917 25 E 4.0070 8.1110 119.6801 59.0534 29.7246 178.4311 26 L 4.2070 7.9686 120.4184 57.9820 41.6920 178.6704 27 K 3.9652 8.0708 119.5032 59.6046 31.9971 178.7746 28 K 4.2081 8.1326 118.0476 59.1932 31.9507 179.5486 29 S 4.3842 8.2124 115.2279 61.6105 62.9052 176.6861 30 L 4.0996 8.4360 121.8934 57.8885 41.1421 178.8910 31 H 4.2634 7.9240 116.1784 58.8196 29.8192 176.8690 32 A 4.1936 7.8149 122.0316 54.4268 18.2213 178.7113 33 I 4.0428 7.2384 114.6979 63.2336 37.8569 177.4408 34 F 5.0623 8.0574 115.9509 58.1324 38.5776 177.3353 35 S 4.3853 7.6641 113.3427 60.1526 63.3784 175.7452 36 R 3.9883 7.6124 117.0222 58.4608 29.7682 177.7876 37 F 4.2719 7.5305 117.6572 59.1240 39.0368 175.2516 38 G 4.1392 7.7799 106.3874 45.0421 0.0000 171.7846 39 Q 4.2188 8.0158 117.6017 55.8257 29.0825 175.1425 40 I 4.0585 8.2138 124.1836 61.0652 37.6163 175.9082 41 L 4.2463 8.9154 128.0970 57.1722 42.1580 176.7371 42 D 4.5894 7.5702 115.3825 53.3008 44.7015 173.7102 43 I 4.8539 8.1717 124.6777 59.5856 39.6172 175.0165 44 L 4.6158 8.7471 128.0987 53.3212 43.1192 175.8783 45 V 4.8178 8.4146 123.6451 61.0940 34.1603 174.5948 46 S 4.7401 8.7013 120.3561 56.7666 65.5874 173.6609 47 R 4.5870 8.4103 123.2228 55.8049 30.5143 176.2135 48 S 4.3627 7.6788 112.1104 57.9666 63.6637 174.7249 49 L 3.8652 8.5977 123.5576 58.1432 41.7105 178.2205 50 K 4.2541 7.9793 117.4808 57.7890 32.5292 176.6065 51 M 4.8597 7.4954 114.5253 54.5193 33.2663 175.8851 52 R 4.3015 7.6433 116.0625 56.5033 30.5132 176.4225 53 G 3.9331 8.9330 107.3053 46.7075 0.0000 172.7638 54 Q 4.9081 7.9159 115.5502 53.9507 33.2262 174.5225 55 A 4.8087 8.4343 122.4141 50.6595 23.4759 175.4474 56 F 5.0726 9.0141 119.8066 55.5702 41.3151 173.6177 57 V 4.0102 7.9494 122.8782 61.8361 32.7860 174.6194 58 I 4.4036 8.3330 130.0262 60.0894 38.3174 174.9721 59 F 4.9609 8.6226 126.6515 55.9336 39.7915 176.8721 60 K 4.1879 8.5552 122.9689 58.3243 32.6793 177.4404 61 E 4.8821 8.0314 117.4402 54.1843 33.8317 176.9425 62 V 3.6655 8.1768 120.8658 65.8274 31.6903 178.4048 63 S 4.0565 8.0156 112.7456 61.5177 61.9015 176.1984 64 S 4.0551 7.9479 117.1022 61.1611 62.6599 176.2874 65 A 3.3635 7.1880 122.9452 54.9469 18.0247 179.9245 66 T 3.8789 8.0209 114.4841 66.9452 68.6020 176.8229 67 N 4.2333 7.8452 117.7770 56.0499 38.4354 177.4164 68 A 2.5800 7.2429 122.2026 54.5060 18.1804 179.4606 69 L 3.7175 7.3591 117.6659 58.2387 42.1470 179.1379 70 R 4.0065 7.8056 117.3375 58.9365 30.0557 178.7296 71 S 4.4150 7.6817 113.6883 61.1992 63.4422 175.7433 72 M 4.3827 7.7121 119.2849 54.0682 31.6038 175.5533 73 Q 4.0098 7.4742 121.9040 57.2419 29.4408 176.1882 74 G 3.9398 9.4229 114.3132 45.2350 0.0000 172.8715 75 F 4.1865 7.9149 123.5337 56.9941 39.6918 172.6552 76 P 4.4137 0.0000 0.0000 62.5181 31.6358 175.6842 77 F 4.5419 9.2712 126.0390 57.2143 41.6567 174.0022 78 Y 3.4460 8.4600 127.9907 59.4584 34.6767 170.7357 79 D 4.5058 8.0813 113.9983 54.5911 39.4305 174.3710 80 K 4.8078 7.5847 117.8792 53.5452 35.9625 174.0684 81 P 4.6774 0.0000 0.0000 63.2276 32.2553 175.7104 82 M 4.4026 9.1027 123.3852 54.8953 33.6945 175.0629 83 R 4.9756 8.6415 124.0848 54.7986 32.1721 174.5876 84 I 4.8703 8.3418 127.5074 59.7947 39.9623 175.0182 85 Q 4.7321 8.9088 125.6163 54.3091 32.8541 174.0914 86 Y 4.9410 8.4499 116.3445 57.2188 39.5654 175.7902 87 A 4.2991 8.7293 126.4564 52.5897 18.5479 178.7533 88 K 4.0607 9.1151 124.5227 57.1332 31.9591 174.7680 89 T 4.8383 7.4216 106.4851 58.9727 71.9090 173.1336 90 D 4.5146 8.3974 121.5271 54.3344 41.5258 177.4002 91 S 4.4440 8.3378 118.2668 58.1012 65.2910 175.4120 92 D 4.3321 8.4101 122.2087 57.4639 40.2969 178.7852 93 I 3.8306 7.6629 117.8611 63.2737 38.1255 177.3385 94 I 3.9705 7.5411 119.3301 63.6213 37.5243 177.5387 95 A 4.1481 8.1017 122.8095 55.4071 18.4263 178.1553 96 K 4.1486 7.6759 121.4177 54.6944 32.0044 178.0470 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 *7 R 8.24 4.35 0.00 1.85 1.52 0.00 3.23 0.00 0.00 3.22 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 P 0.00 2.97 0.00 1.90 1.53 0.00 3.22 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 9 N 8.38 5.05 0.00 2.67 3.05 0.00 0.00 7.06 7.89 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 10 H 8.99 4.44 0.00 3.26 3.66 0.00 5.85 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 11 T 8.71 5.28 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 1.47 0.00 0.00 12 I 8.40 4.89 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.93 0.00 0.00 13 Y 8.64 4.03 0.00 3.03 2.82 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 14 I 7.53 4.63 1.52 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.26 0.76 0.00 0.00 15 N 8.08 5.52 0.00 2.62 2.49 0.00 0.00 6.51 7.82 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 16 N 8.72 4.03 0.00 2.86 3.07 0.00 0.00 6.87 7.78 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 17 L 7.75 4.53 0.00 1.71 1.69 0.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.64 4.43 0.00 2.90 2.64 0.00 0.00 7.07 7.65 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 19 E 8.71 4.02 0.00 1.99 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 2.32 2.49 0.00 20 K 7.77 4.05 0.00 1.87 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.83 3.81 1.42 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.56 0.00 0.00 22 K 8.30 4.20 0.00 1.96 1.92 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 K 8.57 3.78 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.48 7.81 24 D 8.03 4.40 0.00 2.80 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 25 E 8.11 4.01 0.00 2.08 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 2.47 2.42 0.00 26 L 7.97 4.21 0.00 1.97 1.86 1.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.07 3.97 0.00 2.10 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.52 7.81 28 K 8.13 4.21 0.00 1.96 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.77 7.81 29 S 8.21 4.38 0.00 4.39 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 30 L 8.44 4.10 0.00 1.82 1.70 0.96 0.34 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 31 H 7.92 4.26 0.00 3.42 3.52 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.81 4.19 1.46 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 0.00 0.00 0.00 33 I 7.24 4.04 1.51 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 1.49 1.37 0.45 0.00 0.00 34 F 8.06 5.06 0.00 3.25 3.39 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 35 S 7.66 4.39 0.00 4.05 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 36 R 7.61 3.99 0.00 1.61 1.82 0.00 2.25 0.00 0.00 2.77 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 37 F 7.53 4.27 0.00 3.19 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 38 G 7.78 4.14 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 0.00 39 Q 8.02 4.22 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 40 I 8.21 4.06 1.77 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 0.91 0.51 0.72 0.00 0.00 41 L 8.92 4.25 0.00 1.55 1.70 0.94 0.90 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 42 D 7.57 4.59 0.00 2.66 2.42 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 0.00 43 I 8.17 4.85 1.87 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 1.06 0.70 0.86 0.00 0.00 44 L 8.75 4.62 0.00 1.79 1.67 0.92 0.27 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 V 8.41 4.82 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 0.81 0.00 0.00 0.96 0.00 0.00 46 S 8.70 4.74 0.00 3.87 3.68 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 47 R 8.41 4.59 0.00 1.77 1.87 0.00 3.33 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 48 S 7.68 4.36 0.00 4.02 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 49 L 8.60 3.87 0.00 1.61 1.79 0.93 0.59 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 50 K 7.98 4.25 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 51 M 7.50 4.86 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 52 R 7.64 4.30 0.00 1.93 2.07 0.00 3.18 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 53 G 8.93 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 0.00 0.00 0.00 54 Q 7.92 4.91 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 55 A 8.43 4.81 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 56 F 9.01 5.07 0.00 3.01 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 57 V 7.95 4.01 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 0.07 0.00 0.00 0.41 0.00 0.00 58 I 8.33 4.40 1.82 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 1.26 0.49 0.93 0.00 0.00 59 F 8.62 4.96 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 60 K 8.56 4.19 0.00 1.93 1.93 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.45 7.81 61 E 8.03 4.88 0.00 2.02 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 2.35 2.31 0.00 62 V 8.18 3.67 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 0.99 0.00 0.00 0.62 0.00 0.00 63 S 8.02 4.06 0.00 3.91 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 64 S 7.95 4.06 0.00 3.72 3.61 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 65 A 7.19 3.36 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 66 T 8.02 3.88 4.23 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 1.28 0.00 0.00 67 N 7.85 4.23 0.00 2.68 2.97 0.00 0.00 6.96 8.47 0.00 0.00 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 7.24 2.58 1.01 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 69 L 7.36 3.72 0.00 1.44 1.62 -0.08 0.64 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 70 R 7.81 4.01 0.00 1.94 1.94 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 71 S 7.68 4.42 0.00 3.91 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 72 M 7.71 4.38 0.00 1.82 2.07 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.20 0.00 73 Q 7.47 4.01 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 74 G 9.42 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.91 4.19 0.00 3.00 3.04 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 76 P 0.00 4.41 0.00 1.72 1.83 0.00 2.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 77 F 9.27 4.54 0.00 3.16 3.04 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 78 Y 8.46 3.45 0.00 3.01 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 79 D 8.08 4.51 0.00 2.83 2.79 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 80 K 7.58 4.81 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.68 0.00 2.09 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 82 M 9.10 4.40 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 83 R 8.64 4.98 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 84 I 8.34 4.87 1.79 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 1.16 0.77 0.77 0.00 0.00 85 Q 8.91 4.73 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 86 Y 8.45 4.94 0.00 2.91 2.86 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 87 A 8.73 4.30 1.56 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 88 K 9.12 4.06 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.42 4.84 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 90 D 8.40 4.51 0.00 2.70 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 91 S 8.34 4.44 0.00 3.87 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 92 D 8.41 4.33 0.00 2.73 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 93 I 7.66 3.83 1.85 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 1.63 0.73 0.90 0.00 0.00 94 I 7.54 3.97 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.73 0.00 0.00 95 A 8.10 4.15 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 96 K 7.68 4.15 0.00 1.82 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.