NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.0563 8.3149 119.9745 57.4790 33.7799 175.4212 15 Y 4.6497 7.8134 110.3917 58.7707 39.2945 174.5445 16 T 4.7518 8.5192 116.0076 61.3005 72.8027 173.7116 17 S 4.1805 8.1681 117.4386 58.2161 63.3984 174.3019 18 V 4.4205 8.6808 125.0800 60.9139 33.9314 173.9912 19 C 4.2975 8.8466 128.7570 59.6354 31.4453 173.2659 20 V 3.9809 9.9748 119.9417 61.2983 32.4578 177.2264 21 G 3.5998 6.9142 107.2647 44.7340 0.0000 170.7989 22 R 4.5131 7.8763 120.3586 54.6610 31.4796 177.2690 23 E 3.8156 8.9037 126.7152 59.9343 27.9264 179.2118 24 E 3.9306 8.1025 117.5698 59.4901 29.3032 178.8653 25 D 4.5690 7.8225 118.0121 56.4643 41.0877 177.6699 26 I 4.1491 7.5422 117.9808 62.4523 38.2781 177.6214 27 R 3.6736 7.4185 118.7834 59.2313 29.8881 178.0751 28 K 3.9136 7.3373 117.5365 59.9806 32.2253 178.4342 29 S 4.2935 7.9257 114.4813 58.9006 63.7716 174.5984 30 E 4.0726 8.8850 121.2451 56.7163 27.8224 173.4438 31 R 5.2623 7.9316 113.6955 55.7956 32.6542 174.0565 32 M 4.8954 8.7586 117.0929 54.6064 34.8812 173.6481 33 T 4.9457 8.3110 109.8254 60.5846 71.5937 173.0438 34 A 4.6181 8.6578 122.7066 50.8852 23.4260 175.1038 35 V 4.4628 8.1994 119.2538 61.2620 33.1550 175.3990 36 V 4.0134 8.8097 128.1454 61.9161 33.1148 175.0962 37 H 3.9782 9.4967 127.3219 57.2976 25.9981 174.9796 38 D 4.3831 8.0156 112.7981 54.7325 39.1408 173.8949 39 R 4.4632 7.9935 121.0226 54.2489 31.6000 174.2381 40 E 4.7423 8.6132 126.6673 55.8309 31.0704 175.4277 41 V 4.8950 8.8897 119.6135 59.4674 36.6162 174.5780 42 V 4.6263 8.6910 121.8256 59.9750 34.2053 174.4539 43 I 4.9158 8.6176 124.8626 59.5893 39.7643 174.3869 44 F 5.3987 9.6075 125.9055 55.9017 42.0397 173.9432 45 Y 4.9416 8.9454 124.9062 56.2244 40.3934 174.0977 46 H 4.7250 8.8516 126.4651 55.6673 33.4258 173.1906 47 K 3.4891 9.1716 125.6760 57.5095 29.4153 175.6074 48 G 4.1034 7.3256 102.0986 45.2015 0.0000 172.8455 49 E 4.7459 7.5215 118.7359 54.4038 33.5548 174.2822 50 Y 5.2085 8.5238 119.1275 56.8977 40.2353 175.0350 51 H 5.0879 9.7327 120.2829 54.1164 33.0943 172.0448 52 A 5.4279 8.8362 124.8572 50.5280 21.7215 175.0580 53 M 5.2307 8.8581 118.0901 53.5829 35.4977 173.8430 54 D 4.6878 8.4484 119.4665 55.2911 41.1819 177.2672 55 I 3.9139 8.4105 123.2256 63.7416 39.3258 175.8868 56 R 4.6402 7.7822 120.7734 54.9443 31.0505 176.3704 57 C 4.1817 8.8878 125.6337 59.6567 31.8667 174.2064 58 Y 4.3453 9.3035 124.9782 60.3813 37.4517 177.3760 59 H 3.9751 7.1613 119.5637 58.4251 30.3304 175.8581 60 S 4.4402 7.2276 110.8769 58.0370 64.9567 175.2653 61 G 3.1184 7.7600 108.0287 45.2987 0.0000 174.5807 62 G 2.0000 7.0762 108.3961 43.6286 0.0000 172.0811 63 P 4.6762 0.0000 0.0000 61.0499 30.2078 176.7311 64 L 4.0636 8.5038 127.8367 58.2146 41.8532 179.3209 65 H 4.3895 8.3816 112.5386 57.3336 28.5494 175.6933 66 L 4.4351 7.6270 119.2370 54.4779 41.8281 176.3804 67 G 4.3481 7.8901 107.3294 44.9097 0.0000 173.1423 68 E 4.7752 8.5513 118.5061 54.9743 31.9962 175.4170 69 I 4.6852 8.0633 123.0629 60.2012 38.6542 175.0016 70 E 4.5784 8.9047 124.9717 54.7726 34.7341 173.9197 71 D 4.9382 8.0993 121.4438 53.5966 42.6526 175.8193 72 F 4.3978 8.4903 121.4077 56.7162 42.4722 174.4647 73 N 3.7314 8.8672 122.0986 54.3549 37.0497 174.5997 74 G 3.8066 8.1204 100.7327 45.5263 0.0000 173.5856 75 Q 4.6047 7.7101 119.4120 53.5038 31.5826 175.3584 76 S 4.5863 8.4412 120.0057 58.3907 64.1555 173.0207 77 C 5.2142 8.8592 121.4789 57.8012 32.5485 173.0489 78 I 4.1867 8.3330 122.9468 60.5502 39.3867 174.5583 79 V 4.7405 8.6020 129.7516 60.9906 33.5440 174.3891 80 C 4.4403 8.8548 129.6292 59.2936 31.8555 172.9453 81 P 4.4754 0.0000 0.0000 64.7883 31.2728 177.5240 82 W 4.4745 7.9174 119.0844 59.1679 29.2661 176.9512 83 H 4.9030 7.8017 112.3752 55.1126 29.1244 174.4879 84 K 4.5440 8.2070 116.1267 57.6368 30.1882 175.4931 85 Y 4.3772 7.5881 116.0182 58.2178 39.2860 175.1413 86 K 5.0720 8.6712 121.9326 54.8670 34.8394 175.1186 87 I 5.1945 8.7070 126.2807 59.2995 40.5031 175.2991 88 T 4.3901 8.8572 118.2358 61.7013 69.2918 175.8223 89 L 3.8988 8.6122 125.1038 57.7774 41.9180 178.6186 90 A 4.2588 7.8685 120.4758 54.2188 18.6703 177.8052 91 T 4.4596 7.5517 101.7782 60.3292 70.3271 174.2865 92 G 4.3871 8.1670 110.1673 46.8177 0.0000 172.5343 93 E 4.9361 7.6946 119.7634 54.0424 31.1185 176.3534 94 G 4.0709 8.7440 112.0220 46.6969 0.0000 172.0926 95 L 5.4622 8.7749 126.1310 53.3724 44.4655 175.5155 96 Y 4.9053 8.6375 119.0600 55.9847 41.9648 173.3645 97 Q 4.2194 8.1124 119.3691 54.6040 30.5057 175.0415 98 S 4.6769 8.8520 119.5590 57.0828 63.9555 172.6310 99 I 4.5858 8.3326 127.6035 59.5502 39.6717 175.3062 100 N 4.6425 8.6729 125.6839 50.6814 38.7985 171.2052 101 P 4.0497 0.0000 0.0000 62.0477 31.2951 177.7024 *107 K 3.9358 7.6062 117.3294 55.6978 32.8678 172.9739 108 P 4.3845 0.0000 0.0000 63.4829 31.7102 175.6682 109 K 4.6153 8.3005 121.3843 54.2331 35.2166 175.4666 110 W 4.6879 8.7286 124.1802 56.7905 30.0973 175.4206 111 C 4.7592 9.2852 120.5196 58.1336 32.3796 172.8971 112 S 5.2724 8.3176 113.9686 55.2724 65.4356 173.3972 113 K 4.4839 9.0617 122.9137 56.3655 32.9950 177.3027 114 G 3.7310 8.4272 109.8970 44.1605 0.0000 172.6479 115 V 3.9526 8.0591 118.7412 62.8550 32.0830 175.9772 116 K 4.1142 9.1304 126.6927 56.7434 34.9132 175.8069 117 Q 4.7847 7.4861 121.6473 53.7659 31.3758 174.8520 118 R 4.1664 8.9378 128.3711 56.8100 31.1751 175.0485 119 I 4.6707 8.2964 127.5070 60.5502 38.4303 175.3860 120 H 4.9238 8.7380 124.7520 54.8179 31.1352 174.4588 121 T 4.5178 8.5933 116.4555 62.7657 69.8621 174.4901 122 V 4.9465 8.4781 125.5021 61.0823 34.2711 174.6817 123 K 4.7908 8.8884 125.7486 54.7600 36.3349 175.4988 124 V 5.3298 8.2269 115.9112 59.2678 34.3805 175.1353 125 D 4.4911 8.6940 122.0328 54.4788 43.9529 174.9135 126 N 4.2826 9.6796 123.2778 54.3281 36.1682 174.3720 127 G 4.2203 8.2328 103.2259 46.4617 0.0000 173.1037 128 N 5.2189 7.9737 116.2258 51.0005 41.8571 173.7808 129 I 4.4245 8.4814 123.8249 60.3216 39.1645 174.2758 130 Y 5.0669 9.0073 124.9680 56.0787 40.9353 174.7909 131 V 4.9187 8.9838 123.8797 61.4013 34.8154 174.2693 132 T 4.9237 8.7573 123.6141 61.3886 71.5151 173.5968 133 L 4.5554 8.7961 126.8425 54.8826 42.3910 177.0160 134 S 4.7362 9.0382 117.1378 57.5445 64.5106 174.1419 135 K 4.3238 8.4794 120.5943 56.8242 33.1627 176.2771 136 E 4.5036 7.9124 119.4972 53.7562 30.7455 173.7559 137 P 4.6367 0.0000 0.0000 61.7874 32.6752 175.9714 138 F 4.3344 8.9728 120.9469 60.5550 39.3161 175.2904 139 K 4.4405 7.7363 118.6844 54.4298 35.2331 174.5963 140 C 4.9259 8.6156 122.5906 57.5108 31.4361 174.9749 141 D 4.4815 8.6459 122.7407 57.5433 40.3953 179.2597 142 S 4.5387 8.2793 114.3819 60.9379 62.9746 176.0883 143 D 4.3421 8.0234 123.0976 57.5666 40.2775 177.7168 144 Y 3.9431 7.3350 117.9061 60.7451 38.7687 177.2314 145 Y 3.2583 7.3723 113.5227 58.1371 38.3719 176.3998 146 A 4.4036 7.4616 121.4947 51.8394 20.0543 177.2650 147 T 4.6041 6.7253 106.3601 60.8507 72.5601 175.5175 148 G 3.5980 8.7469 112.3077 46.4290 0.0000 174.2906 149 E 4.0104 8.7647 125.4397 56.1500 29.3265 175.9232 150 F 5.0145 7.7198 117.7015 55.1610 41.0507 173.7106 151 K 4.7984 8.8495 120.0471 54.7812 34.9273 175.9986 152 V 4.8667 8.4285 114.6911 59.9740 33.9386 175.2494 153 I 4.5073 8.6951 124.5562 59.5175 39.7009 175.4996 154 Q 3.8012 8.2871 127.0199 55.8545 28.4711 175.0358 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 14 K 8.31 4.06 0.00 1.40 1.72 0.00 1.30 0.00 0.00 1.21 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.15 7.81 15 Y 7.81 4.65 0.00 3.01 2.94 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 16 T 8.52 4.75 4.29 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 1.23 0.00 0.00 17 S 8.17 4.18 0.00 3.88 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 18 V 8.68 4.42 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 0.89 0.00 0.00 0.70 0.00 0.00 19 C 8.85 4.30 0.00 2.88 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 20 V 9.97 3.98 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 0.69 0.00 0.00 0.89 0.00 0.00 21 G 6.91 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.88 4.51 0.00 1.78 1.74 0.00 3.18 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 23 E 8.90 3.82 0.00 1.97 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 2.28 2.38 0.00 24 E 8.10 3.93 0.00 2.01 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 0.00 2.37 2.37 0.00 25 D 7.82 4.57 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 4.15 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 1.05 0.00 0.00 27 R 7.42 3.67 0.00 1.67 1.86 0.00 3.10 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.61 0.00 28 K 7.34 3.91 0.00 1.77 1.80 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 29 S 7.93 4.29 0.00 4.10 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 30 E 8.88 4.07 0.00 2.31 2.32 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 2.60 2.54 0.00 31 R 7.93 5.26 0.00 1.74 2.08 0.00 3.20 0.00 0.00 3.50 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 32 M 8.76 4.90 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 33 T 8.31 4.95 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 1.06 0.00 0.00 34 A 8.66 4.62 1.15 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 0.00 0.00 35 V 8.20 4.46 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 0.77 0.00 0.00 0.90 0.00 0.00 36 V 8.81 4.01 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 0.87 0.00 0.00 0.86 0.00 0.00 37 H 9.50 3.98 0.00 3.16 3.14 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.02 4.38 0.00 2.81 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 39 R 7.99 4.46 0.00 1.72 1.73 0.00 3.06 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 40 E 8.61 4.74 0.00 2.09 1.79 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 2.30 2.29 0.00 41 V 8.89 4.90 2.20 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 0.64 0.00 0.00 0.95 0.00 0.00 42 V 8.69 4.63 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 0.72 0.00 0.00 0.20 0.00 0.00 43 I 8.62 4.92 1.86 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 1.23 0.83 1.12 0.00 0.00 44 F 9.61 5.40 0.00 3.01 2.93 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 45 Y 8.95 4.94 0.00 2.94 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 46 H 8.85 4.73 0.00 3.06 2.99 0.00 5.98 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.17 3.49 0.00 1.65 1.63 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 0.89 7.81 48 G 7.33 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.52 4.75 0.00 1.76 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 0.00 2.15 2.29 0.00 50 Y 8.52 5.21 0.00 2.95 2.96 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 51 H 9.73 5.09 0.00 3.22 3.40 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.84 5.43 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 53 M 8.86 5.23 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.76 0.00 54 D 8.45 4.69 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.41 3.91 1.81 0.00 0.00 0.57 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 1.29 0.90 0.00 0.00 56 R 7.78 4.64 0.00 1.65 1.77 0.00 3.47 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 57 C 8.89 4.18 0.00 2.75 2.60 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 0.00 0.00 0.00 58 Y 9.30 4.35 0.00 3.15 3.34 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 59 H 7.16 3.98 0.00 2.00 2.67 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.23 4.44 0.00 3.80 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 61 G 7.76 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.08 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 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.68 0.00 2.03 2.10 0.00 2.40 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 64 L 8.50 4.06 0.00 1.97 1.95 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.38 4.39 0.00 3.23 3.33 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.63 4.44 0.00 1.67 1.68 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.89 4.35 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 0.00 68 E 8.55 4.78 0.00 1.92 1.86 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 2.36 2.30 0.00 69 I 8.06 4.69 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.24 0.51 0.00 0.00 70 E 8.90 4.58 0.00 1.16 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 2.16 2.33 0.00 71 D 8.10 4.94 0.00 2.43 2.35 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 72 F 8.49 4.40 0.00 2.46 1.61 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 73 N 8.87 3.73 0.00 1.44 2.24 0.00 0.00 7.10 7.98 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 74 G 8.12 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 75 Q 7.71 4.60 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.94 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 76 S 8.44 4.59 0.00 3.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.86 5.21 0.00 3.24 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 78 I 8.33 4.19 1.30 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 1.23 1.48 0.98 0.00 0.00 79 V 8.60 4.74 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 0.95 0.00 0.00 1.20 0.00 0.00 80 C 8.85 4.44 0.00 3.02 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 81 P 0.00 4.48 0.00 2.33 2.20 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 82 W 7.92 4.47 0.00 3.11 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 83 H 7.80 4.90 0.00 3.02 3.30 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.21 4.54 0.00 2.04 1.97 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 85 Y 7.59 4.38 0.00 2.63 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.67 5.07 0.00 1.64 1.61 0.00 1.39 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.22 7.81 87 I 8.71 5.19 1.96 0.00 0.00 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 1.62 1.32 1.00 0.00 0.00 88 T 8.86 4.39 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 1.23 0.00 0.00 89 L 8.61 3.90 0.00 1.38 1.33 0.69 0.31 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 90 A 7.87 4.26 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 91 T 7.55 4.46 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 92 G 8.17 4.39 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 0.00 93 E 7.69 4.94 0.00 1.94 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 0.00 2.31 2.09 0.00 94 G 8.74 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 95 L 8.77 5.46 0.00 1.60 1.77 0.79 0.70 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 96 Y 8.64 4.91 0.00 2.90 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 97 Q 8.11 4.22 0.00 1.47 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 98 S 8.85 4.68 0.00 3.92 3.67 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 99 I 8.33 4.59 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.86 0.00 0.00 100 N 8.67 4.64 0.00 2.63 2.71 0.00 0.00 7.08 7.69 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 0.00 101 P 0.00 4.05 0.00 2.20 2.11 0.00 3.86 0.00 0.00 3.61 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 *107 K 7.61 3.94 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 108 P 0.00 4.38 0.00 2.06 1.82 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 109 K 8.30 4.62 0.00 1.60 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 110 W 8.73 4.69 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 111 C 9.29 4.76 0.00 1.23 2.10 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 0.00 0.00 0.00 0.00 112 S 8.32 5.27 0.00 3.82 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 0.00 113 K 9.06 4.48 0.00 1.77 1.82 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.51 7.81 114 G 8.43 3.73 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 0.00 0.00 0.00 115 V 8.06 3.95 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 0.83 0.00 0.00 0.96 0.00 0.00 116 K 9.13 4.11 0.00 0.99 0.74 0.00 1.33 0.00 0.00 1.34 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 0.83 7.81 117 Q 7.49 4.78 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 118 R 8.94 4.17 0.00 1.91 1.96 0.00 3.22 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 119 I 8.30 4.67 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 1.01 0.00 0.00 120 H 8.74 4.92 0.00 3.09 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.59 4.52 4.31 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 1.26 0.00 0.00 122 V 8.48 4.95 2.19 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 0.80 0.00 0.00 1.03 0.00 0.00 123 K 8.89 4.79 0.00 1.77 1.64 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.42 7.81 124 V 8.23 5.33 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 0.03 0.00 0.00 1.01 0.00 0.00 125 D 8.69 4.49 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 9.68 4.28 0.00 2.97 2.92 0.00 0.00 7.10 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 0.00 127 G 8.23 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 0.00 0.00 0.00 0.00 128 N 7.97 5.22 0.00 2.77 2.05 0.00 0.00 7.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.48 4.42 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.48 0.70 0.00 0.00 130 Y 9.01 5.07 0.00 2.89 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 0.00 131 V 8.98 4.92 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 1.07 0.00 0.00 0.92 0.00 0.00 132 T 8.76 4.92 4.32 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 1.35 0.00 0.00 133 L 8.80 4.56 0.00 1.55 1.67 0.82 0.66 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 0.00 134 S 9.04 4.74 0.00 4.03 4.08 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 0.00 135 K 8.48 4.32 0.00 1.64 1.72 0.00 1.43 0.00 0.00 0.88 0.00 0.00 2.28 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.38 1.09 7.81 136 E 7.91 4.50 0.00 1.91 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 2.24 2.36 0.00 137 P 0.00 4.64 0.00 2.26 2.07 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 138 F 8.97 4.33 0.00 3.09 3.30 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 0.00 139 K 7.74 4.44 0.00 1.05 1.51 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.25 7.81 140 C 8.62 4.93 0.00 2.97 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 0.00 141 D 8.65 4.48 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.28 4.54 0.00 4.17 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.02 4.34 0.00 2.80 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 0.00 144 Y 7.33 3.94 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.37 3.26 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.46 4.40 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 0.00 147 T 6.73 4.60 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 1.20 0.00 0.00 148 G 8.75 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.76 4.01 0.00 1.96 1.93 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 2.27 2.22 0.00 150 F 7.72 5.01 0.00 3.02 2.32 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 0.00 151 K 8.85 4.80 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.47 7.81 152 V 8.43 4.87 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.29 0.00 0.00 153 I 8.70 4.51 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.89 0.00 0.00 154 Q 8.29 3.80 0.00 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.