NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 E 4.3325 8.4029 116.5930 56.0082 31.2676 176.6711 4 E 3.6415 8.4262 110.1909 58.7877 30.0273 172.8754 5 W 4.6000 7.6527 113.6593 57.4589 29.7366 174.8409 6 Y 4.9192 7.8229 121.8141 56.8217 36.6622 174.5889 7 F 4.3072 9.3986 124.8260 56.5882 40.6405 177.4437 8 G 3.7085 5.9552 111.1562 47.0547 0.0000 175.1033 9 K 4.4526 8.7447 122.6484 56.1972 31.6533 176.4998 10 I 3.7682 7.1682 119.5821 61.2865 38.5116 176.5962 11 T 4.2927 8.2776 117.4339 61.0969 70.8234 175.4037 12 R 3.8177 8.4815 122.0606 59.8968 29.9783 178.7218 13 R 4.0141 7.9439 117.5708 59.7065 30.0350 178.1705 14 E 3.9911 8.3674 118.5036 59.2824 29.3204 179.5128 15 S 4.0765 8.3177 114.5736 61.3428 62.9783 176.3785 16 E 3.9233 8.4863 122.4873 59.1635 29.0037 179.2120 17 R 3.8718 7.9932 117.6437 59.3588 30.5200 178.2400 18 L 4.1395 8.1564 118.8204 57.9545 41.4828 179.3984 19 L 4.0657 7.9194 117.6798 57.9115 41.6999 179.4016 20 L 4.2657 8.0265 117.0682 55.1617 41.7410 176.6815 21 N 4.1699 7.3981 117.1869 53.4223 38.9962 173.4435 22 P 4.3735 0.0000 0.0000 65.6285 31.6388 177.6491 23 E 4.0472 8.3729 116.5455 58.9513 29.5744 177.1750 24 N 4.4042 8.2391 117.7319 52.3160 38.9518 173.3622 25 P 4.4188 0.0000 0.0000 61.8642 32.2714 175.5983 26 R 3.9442 8.2413 119.4042 58.2778 30.2869 176.7270 27 G 4.0774 9.1751 112.2763 46.6384 0.0000 173.0152 28 T 4.7351 7.7964 117.5305 63.8156 69.4647 173.3995 29 F 5.5735 9.2148 120.2730 55.3193 42.0198 173.1326 30 L 4.9487 9.0242 119.2903 54.2055 44.3091 175.3167 31 V 5.2277 9.1269 113.1920 59.8942 35.0771 175.1543 32 R 4.9575 8.9896 119.5911 54.4836 33.5572 173.9406 33 E 4.4887 8.9740 119.2656 56.2445 30.2057 177.3597 34 S 4.1964 8.6686 118.6858 58.3847 62.2601 174.4022 35 E 4.1283 9.0706 127.3576 58.6951 29.5947 177.6921 36 T 4.3309 7.7850 106.5895 61.5136 70.7138 174.1346 37 T 4.4442 8.3322 119.9427 61.5811 69.9186 173.0807 38 K 4.4975 8.5975 126.3880 56.2010 33.4859 177.4742 39 G 3.8321 8.9829 110.7359 45.0506 0.0000 172.4052 40 A 4.7764 7.5958 120.7392 50.2546 22.9040 174.8966 41 Y 5.1098 8.7335 116.3463 56.6498 41.6582 174.8225 42 C 5.3638 9.4934 117.4506 58.1197 32.6678 173.5065 43 L 4.8217 8.9034 125.8917 54.3413 42.8505 175.2693 44 S 5.2250 9.0682 124.3068 57.0695 64.8429 173.6304 45 V 4.9788 8.8074 125.6176 60.7936 34.3307 174.7817 46 S 4.8363 9.2757 123.7965 58.6144 64.4933 172.7988 47 D 5.1025 9.1113 121.6859 53.2467 45.6740 173.3136 48 F 5.3110 8.6192 121.8534 56.8898 42.2759 172.8111 49 D 5.1509 8.4317 124.9186 51.2181 43.0438 175.7114 50 N 4.5419 8.6249 114.4663 52.8142 37.6808 175.9324 51 A 4.1261 8.0488 123.4868 54.5726 18.8038 179.0536 52 K 4.3147 8.1261 111.9982 55.0749 34.6689 178.7616 53 G 2.8110 7.4825 107.8036 44.7677 0.0000 173.1016 54 L 4.6532 8.5367 122.4898 55.8862 42.1380 176.6466 55 N 5.0931 9.4845 120.3047 51.5961 41.4843 173.4119 56 V 4.8295 8.2402 111.9803 59.5654 34.5177 175.4158 57 K 4.4313 8.9008 124.1495 55.2499 34.2552 175.1385 58 H 5.3816 8.3992 120.2942 54.1741 31.9147 172.6703 59 Y 4.5367 8.9930 121.0675 55.6145 40.0468 175.1878 60 K 4.4667 8.7940 126.5861 56.9934 33.6909 175.2319 61 I 4.7472 9.0388 129.2580 60.2758 38.7779 175.5234 62 R 4.8338 8.4812 126.3156 54.3072 33.4751 175.3496 63 K 4.8372 8.1181 120.4612 54.6177 34.6787 175.9263 64 L 4.1925 8.9433 128.4008 54.8819 42.0413 177.4198 65 D 4.3548 8.6529 122.7373 57.8030 41.0032 179.2303 66 S 4.8353 7.5857 113.8661 58.0963 64.5524 175.6446 67 G 4.1419 6.7384 116.0153 46.0601 0.0000 176.1777 68 G 4.0256 8.0593 112.7181 45.2210 0.0000 171.6557 69 F 5.3654 9.3297 123.5415 57.5891 40.3456 174.1865 70 Y 5.3503 9.0873 120.0690 56.6105 40.9537 175.7355 71 I 4.2517 8.9826 122.3473 62.7040 38.3845 176.2225 72 T 4.8963 7.8966 113.6649 59.9742 69.8601 174.6113 73 S 3.2624 8.5529 121.6490 60.4304 63.4208 175.4567 74 R 3.9712 7.8140 118.5241 57.7752 30.1924 176.8751 75 T 4.0566 7.4267 115.0662 61.8208 67.3516 173.8373 76 Q 4.8190 7.4281 124.3905 53.8991 31.5558 174.9368 77 F 4.9063 8.9497 117.9382 55.8742 42.8025 176.7582 78 S 4.2870 9.0515 120.9182 60.7713 63.2651 174.8994 79 S 5.0678 8.6086 113.9330 55.6148 67.2069 174.8698 80 L 3.6257 8.0811 121.9531 57.8191 41.1694 179.4665 81 Q 4.2788 8.3579 117.5504 59.5590 28.6754 179.1375 82 Q 4.0040 7.9101 118.3660 58.9269 28.8719 178.6645 83 L 2.4400 7.6336 121.0632 58.1324 42.0179 179.7060 84 V 3.2519 7.5515 111.8207 64.0177 31.1174 178.5079 85 A 3.9485 7.8289 120.0103 55.0798 18.4080 178.7612 86 Y 3.8965 7.9791 118.3265 61.1545 38.9015 177.9273 87 Y 5.2110 7.6188 118.3795 60.1852 37.7057 178.6140 88 S 4.3683 7.6511 116.6181 59.8975 62.9519 175.9464 89 K 4.0558 7.8338 121.2982 57.1828 32.8659 176.7995 90 H 4.8025 6.6206 112.3746 53.2417 31.8381 173.9634 91 A 3.8361 8.7691 125.0655 54.6074 18.8200 177.7042 92 D 4.4330 9.3150 112.4807 55.4363 39.5148 173.1316 93 G 4.1644 8.3013 106.3300 45.6124 0.0000 174.0336 94 L 4.0354 7.8238 119.4536 54.2933 42.1829 177.5994 95 C 4.2735 8.6661 116.9542 61.8030 29.4445 173.8340 96 H 4.6990 7.3762 116.7990 54.1258 32.6424 172.8532 97 R 4.0684 8.0268 124.2158 56.0960 30.2437 175.6834 98 L 3.9053 8.6312 125.5807 56.3526 42.1006 175.1856 99 T 4.5255 9.2882 113.0408 61.9235 70.8079 173.8737 100 N 4.7864 8.6761 116.4232 52.0148 41.3198 174.9396 101 V 3.5338 8.3766 119.7151 60.9419 32.5355 175.5896 102 C 4.2166 8.2374 126.4224 58.9486 31.8287 171.5392 103 P 4.5924 0.0000 0.0000 61.4465 32.0276 176.2648 104 T 3.9087 8.5363 110.7166 62.6585 68.0246 172.0832 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 E 8.40 4.33 0.00 1.91 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 2.21 1.88 0.00 4 E 8.43 3.64 0.00 2.06 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 2.24 1.93 0.00 5 W 7.65 4.60 0.00 3.45 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 6 Y 7.82 4.92 0.00 2.64 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 7 F 9.40 4.31 0.00 3.10 3.01 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 8 G 5.96 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 9 K 8.74 4.45 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.48 7.81 10 I 7.17 3.77 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 1.03 0.00 0.00 11 T 8.28 4.29 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 1.25 0.00 0.00 12 R 8.48 3.82 0.00 1.86 1.99 0.00 3.01 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 13 R 7.94 4.01 0.00 1.95 1.91 0.00 3.28 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 14 E 8.37 3.99 0.00 2.05 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 0.00 2.34 2.48 0.00 15 S 8.32 4.08 0.00 3.97 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 16 E 8.49 3.92 0.00 2.18 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 0.00 2.38 2.62 0.00 17 R 7.99 3.87 0.00 1.80 2.10 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 18 L 8.16 4.14 0.00 1.99 1.67 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 4.07 0.00 1.64 1.71 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.03 4.27 0.00 1.68 1.74 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.40 4.17 0.00 2.86 2.75 0.00 0.00 7.20 7.60 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 22 P 0.00 4.37 0.00 2.09 2.14 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 23 E 8.37 4.05 0.00 1.96 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 0.00 2.32 2.34 0.00 24 N 8.24 4.40 0.00 2.83 2.78 0.00 0.00 7.09 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 25 P 0.00 4.42 0.00 2.20 2.17 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 26 R 8.24 3.94 0.00 1.67 1.55 0.00 3.27 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 27 G 9.18 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 0.00 0.00 0.00 28 T 7.80 4.74 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 1.28 0.00 0.00 29 F 9.21 5.57 0.00 3.08 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 L 9.02 4.95 0.00 1.21 1.02 0.45 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.13 5.23 2.45 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 0.95 0.00 0.00 1.34 0.00 0.00 32 R 8.99 4.96 0.00 1.98 1.98 0.00 2.94 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 33 E 8.97 4.49 0.00 1.84 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 2.53 2.55 0.00 34 S 8.67 4.20 0.00 3.80 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 35 E 9.07 4.13 0.00 1.97 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 2.30 2.27 0.00 36 T 7.79 4.33 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 1.19 0.00 0.00 37 T 8.33 4.44 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 38 K 8.60 4.50 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 39 G 8.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.60 4.78 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 41 Y 8.73 5.11 0.00 3.10 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 42 C 9.49 5.36 0.00 2.83 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 43 L 8.90 4.82 0.00 1.76 1.65 0.49 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.07 5.22 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.98 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 1.13 0.00 0.00 0.99 0.00 0.00 46 S 9.28 4.84 0.00 3.92 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 47 D 9.11 5.10 0.00 2.81 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 48 F 8.62 5.31 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 5.15 0.00 2.78 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 50 N 8.62 4.54 0.00 2.94 3.10 0.00 0.00 6.05 7.31 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 51 A 8.05 4.13 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 52 K 8.13 4.31 0.00 1.57 1.71 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.26 7.81 53 G 7.48 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 0.00 0.00 0.00 54 L 8.54 4.65 0.00 1.58 1.70 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.48 5.09 0.00 2.71 2.78 0.00 0.00 6.50 7.75 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 56 V 8.24 4.83 1.94 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 0.72 0.00 0.00 0.71 0.00 0.00 57 K 8.90 4.43 0.00 1.68 1.36 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.62 7.81 58 H 8.40 5.38 0.00 2.88 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.99 4.54 0.00 2.86 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 60 K 8.79 4.47 0.00 1.86 1.73 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.67 7.81 61 I 9.04 4.75 2.17 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 1.27 0.79 1.08 0.00 0.00 62 R 8.48 4.83 0.00 0.94 1.49 0.00 3.10 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 63 K 8.12 4.84 0.00 1.43 1.51 0.00 0.93 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.02 0.49 7.81 64 L 8.94 4.19 0.00 1.83 1.62 0.88 1.02 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 65 D 8.65 4.35 0.00 2.67 2.73 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 66 S 7.59 4.84 0.00 3.84 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 67 G 6.74 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 68 G 8.06 4.03 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 0.00 0.00 0.00 69 F 9.33 5.37 0.00 3.31 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 70 Y 9.09 5.35 0.00 3.36 3.13 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 71 I 8.98 4.25 2.03 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 1.05 0.00 0.00 72 T 7.90 4.90 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 1.36 0.00 0.00 73 S 8.55 3.26 0.00 3.32 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.97 0.00 1.76 1.94 0.00 3.15 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 75 T 7.43 4.06 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 0.86 0.00 0.00 76 Q 7.43 4.82 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 77 F 8.95 4.91 0.00 3.18 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 78 S 9.05 4.29 0.00 4.19 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 79 S 8.61 5.07 0.00 4.26 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 80 L 8.08 3.63 0.00 1.37 1.83 -0.20 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.36 4.28 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.60 2.94 0.00 82 Q 7.91 4.00 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 83 L 7.63 2.44 0.00 1.44 1.49 0.80 0.97 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 84 V 7.55 3.25 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 -0.13 0.00 0.00 0.15 0.00 0.00 85 A 7.83 3.95 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 86 Y 7.98 3.90 0.00 3.04 2.53 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 87 Y 7.62 5.21 0.00 2.86 2.66 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 88 S 7.65 4.37 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.06 0.00 0.85 1.48 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.30 7.81 90 H 6.62 4.80 0.00 3.03 3.20 0.00 5.46 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 91 A 8.77 3.84 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 92 D 9.31 4.43 0.00 2.83 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 93 G 8.30 4.16 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 0.00 94 L 7.82 4.04 0.00 1.72 1.55 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.67 4.27 0.00 3.30 3.24 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 96 H 7.38 4.70 0.00 3.28 3.17 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.03 4.07 0.00 1.74 1.65 0.00 3.34 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 98 L 8.63 3.91 0.00 1.32 0.94 0.57 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.29 4.53 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 1.38 0.00 0.00 100 N 8.68 4.79 0.00 2.92 2.74 0.00 0.00 6.93 7.72 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 0.00 101 V 8.38 3.53 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 0.80 0.00 0.00 0.99 0.00 0.00 102 C 8.24 4.22 0.00 2.81 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 0.00 103 P 0.00 4.59 0.00 2.25 2.06 0.00 3.98 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 104 T 8.54 3.91 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.