NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4473 8.1749 117.3745 63.4587 70.0696 172.9409 2 S 4.6263 9.8872 121.7268 55.0031 65.9549 171.6071 3 I 5.2475 8.0915 118.0956 59.6513 41.2761 173.9445 4 M 4.7829 8.6008 118.8633 54.6781 34.8366 173.2020 5 A 5.1528 8.4475 120.8027 50.3584 22.4683 175.5831 6 V 4.5251 8.9930 122.3285 61.1542 34.6568 175.0938 7 T 4.7718 8.7243 118.1782 61.2627 70.0071 173.7082 8 F 4.9092 8.7796 117.5226 55.3737 41.1838 174.5191 9 K 3.6811 9.1200 120.7346 59.8611 31.5598 177.2298 10 D 4.6189 7.4812 114.1272 53.4995 42.6059 177.1686 11 G 4.4306 5.3800 111.0889 45.2531 0.0000 175.7355 12 V 5.1942 8.0778 121.3845 60.1390 33.9315 173.0223 13 I 4.6333 8.9214 122.2461 59.6245 40.5513 174.3647 14 L 5.1194 8.5785 126.0122 53.1820 43.8967 176.0056 15 G 4.3445 9.1380 108.6445 45.0206 0.0000 171.0843 16 A 5.6662 8.4461 120.3825 51.9280 22.1573 176.1591 17 D 4.8218 8.5052 119.7225 52.0424 42.3796 175.9680 18 S 4.9596 8.2913 111.3678 57.3630 64.0591 172.9797 19 R 5.0908 8.5339 120.9079 55.8043 31.8610 175.1294 20 T 4.8059 8.8070 116.1117 60.0652 71.5821 172.9719 21 T 5.1499 8.6543 115.0661 60.0967 72.3483 174.1498 22 T 4.5005 8.8344 112.7103 60.1794 69.9980 174.8757 23 G 4.0872 8.2768 122.2901 46.9461 0.0000 172.4230 24 A 4.4834 8.7063 127.3925 51.7362 19.4238 176.3223 25 Y 4.5243 7.6724 118.8958 56.3641 39.8458 174.8964 26 I 4.2452 7.2508 127.6553 59.6005 36.4682 175.3598 27 A 4.0527 8.2035 130.0128 54.4961 18.7362 177.7240 28 N 4.8267 7.8301 113.6297 52.5037 41.9410 174.6944 29 R 4.5030 8.5706 120.8626 56.4181 30.5641 176.2865 30 V 4.5996 8.0027 112.7461 61.3634 31.6917 176.3161 31 T 3.9956 8.3929 117.0906 63.8691 69.9060 174.1338 32 D 4.7538 8.6299 125.1130 52.8907 41.5910 175.7081 33 K 4.3512 8.6204 123.8845 56.6639 33.6124 176.1893 34 L 4.7827 8.0838 121.1703 53.9272 42.3186 175.9815 35 T 4.5981 8.8907 121.4824 61.5152 71.5165 173.6397 36 R 3.3181 7.8315 126.1551 55.1302 30.2631 176.2532 37 V 4.1983 7.8313 118.6803 61.6279 33.6296 174.8130 38 H 4.5473 7.7087 117.3745 55.0835 32.5274 173.8210 39 D 4.5435 8.3471 123.3564 57.0340 40.6711 179.3887 40 K 5.0360 8.2068 116.9710 56.2177 34.2588 175.5742 41 I 5.0722 8.3842 121.2906 59.7596 40.5104 174.8850 42 W 5.3716 9.7023 127.1307 54.9451 33.3710 174.1250 43 C 5.2556 9.4012 114.5088 57.2618 33.2204 172.6011 44 C 5.2525 9.0230 117.9661 58.2387 30.2257 173.1272 45 R 5.1114 8.4908 123.0059 54.7271 31.8311 175.8142 46 S 4.5732 8.7241 116.4954 56.7617 66.8711 174.0898 47 G 3.9827 9.0044 106.1163 44.5094 0.0000 175.6434 48 S 4.3089 9.8106 120.9983 57.2262 62.9893 174.4362 49 A 3.9819 8.8817 129.7436 55.2498 18.2651 179.1940 50 A 3.9409 7.9722 118.7264 55.4718 18.5355 179.4623 51 D 4.3168 8.3736 117.7715 57.8276 40.9482 179.2299 52 T 4.0316 8.3921 110.7357 64.7019 68.7518 176.6830 53 Q 3.9562 8.3897 120.7868 58.8917 28.8314 178.5776 54 A 4.0967 8.0310 121.6666 55.1474 18.2847 179.8827 55 I 3.6495 7.9567 118.0758 64.4021 37.2269 178.3447 56 A 4.0215 8.4825 122.0108 55.4555 18.3795 179.2377 57 D 4.3300 8.5323 117.6854 57.7837 40.8064 179.3854 58 I 3.7947 7.5306 119.7117 64.1857 37.0405 178.5738 59 V 3.4068 7.9536 119.5899 65.9076 31.1828 177.7307 60 Q 4.0491 8.3195 119.6560 59.4336 28.8491 177.7424 61 Y 4.0166 7.8989 120.0484 61.1254 38.8365 177.8746 62 H 3.8960 8.3401 117.2148 58.7398 28.7147 177.8548 63 L 4.0236 8.2562 121.2315 57.3587 41.4328 179.0894 64 E 3.9036 8.2594 119.5819 59.2722 29.5617 178.7100 65 L 3.8226 7.5690 120.3712 57.9431 41.9496 178.2289 66 Y 3.8654 7.9718 119.5780 61.0131 38.5721 178.1408 67 T 4.6425 8.0660 116.8433 66.4382 68.6695 176.2381 68 S 4.1656 7.7841 115.6175 61.4634 62.8619 176.2525 69 Q 3.9685 7.0701 118.6826 57.1359 28.9731 176.4225 70 Y 4.5470 7.6262 116.4135 57.6283 39.5226 175.5194 *72 G 4.0557 7.6232 108.9724 45.5216 0.0000 172.2586 73 T 4.2689 8.5721 115.8199 63.4095 68.7941 172.2901 74 P 4.5177 0.0000 0.0000 61.7166 32.6838 176.5275 75 S 4.4334 8.0763 115.4781 58.2429 65.1216 175.4850 76 T 3.9166 8.2403 118.4865 66.4153 68.1354 176.6678 77 E 3.9344 8.0793 120.9464 59.6974 29.8567 178.7785 78 T 3.7816 7.9910 115.4831 66.6171 68.4831 176.4622 79 A 3.9774 7.8103 122.3864 55.1045 18.4478 179.5854 80 A 4.1630 8.2749 119.1034 54.9891 18.2873 179.7620 81 S 4.1237 7.9938 112.2334 61.2535 62.4882 176.4811 82 V 3.5341 7.7522 120.8308 65.7767 31.2382 177.9850 83 F 4.0117 8.1663 117.4647 60.5473 38.7819 177.4161 84 K 4.0014 8.2032 119.1709 59.5615 31.9377 178.3058 85 E 3.9917 8.4924 119.5941 59.3429 29.3245 178.8118 86 L 4.0278 8.0028 118.9599 58.1547 41.4826 179.4098 87 C 4.2491 8.4543 115.9787 62.7201 28.3193 175.4035 88 Y 4.1933 8.5338 121.6117 60.8267 38.3580 177.3357 89 E 3.9438 8.2052 119.0817 58.5121 29.6179 177.0219 90 N 5.0214 7.8480 115.5208 52.4240 39.2941 176.3923 91 K 3.6531 7.8039 121.0171 60.2235 32.6911 177.7804 92 D 4.3257 7.5910 118.1893 56.6273 40.9189 177.4052 *94 N 5.0808 7.8785 114.6557 52.6361 40.0249 173.7344 95 L 5.1425 7.7335 116.4202 53.6153 45.7766 176.8200 96 T 4.7292 8.5874 116.3557 61.5026 69.5357 170.9004 97 A 4.9404 8.2184 122.6481 49.9578 22.1689 175.8876 98 G 4.0021 9.0525 111.1870 45.2643 0.0000 172.0141 99 I 4.8593 8.2879 126.7875 59.0551 40.3387 175.2157 100 I 4.3631 8.3655 126.8806 59.5376 39.4068 174.5797 101 V 4.6764 8.3194 126.6287 61.0484 33.3444 174.6062 102 A 4.8216 9.1955 129.1234 50.3479 22.3650 174.9344 103 G 4.5838 8.6638 107.2369 44.9119 0.0000 171.0982 104 Y 4.7573 8.8767 122.9284 55.4245 40.6902 175.2788 105 D 4.1147 7.4610 124.6046 54.1961 41.6552 174.9855 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 1 T 8.17 4.45 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 2 S 9.89 4.63 0.00 3.71 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 3 I 8.09 5.25 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 1.40 0.65 0.96 0.00 0.00 4 M 8.60 4.78 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 5 A 8.45 5.15 1.20 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 6 V 8.99 4.53 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 1.12 0.00 0.00 0.93 0.00 0.00 7 T 8.72 4.77 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 1.24 0.00 0.00 8 F 8.78 4.91 0.00 3.26 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 9 K 9.12 3.68 0.00 1.78 2.00 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.48 7.81 10 D 7.48 4.62 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 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 0.00 0.00 0.00 12 V 8.08 5.19 2.17 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 0.85 0.00 0.00 1.05 0.00 0.00 13 I 8.92 4.63 1.77 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.80 0.00 0.00 14 L 8.58 5.12 0.00 1.44 1.57 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.14 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 0.00 0.00 0.00 0.00 16 A 8.45 5.67 1.20 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 17 D 8.51 4.82 0.00 2.68 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 18 S 8.29 4.96 0.00 3.93 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 19 R 8.53 5.09 0.00 1.80 2.00 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.81 4.81 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 21 T 8.65 5.15 4.46 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 1.18 0.00 0.00 22 T 8.83 4.50 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 1.28 0.00 0.00 23 G 8.28 4.09 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 0.00 0.00 0.00 24 A 8.71 4.48 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 25 Y 7.67 4.52 0.00 2.97 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 26 I 7.25 4.25 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.80 0.00 0.00 27 A 8.20 4.05 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 28 N 7.83 4.83 0.00 2.76 2.59 0.00 0.00 6.77 7.53 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 29 R 8.57 4.50 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 8.00 4.60 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.39 4.00 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 1.22 0.00 0.00 32 D 8.63 4.75 0.00 2.71 2.63 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 33 K 8.62 4.35 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.48 7.81 34 L 8.08 4.78 0.00 1.86 1.85 0.97 0.63 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 35 T 8.89 4.60 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 1.18 0.00 0.00 36 R 7.83 3.32 0.00 0.67 1.08 0.00 3.07 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 37 V 7.83 4.20 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 0.88 0.00 0.00 1.12 0.00 0.00 38 H 7.71 4.55 0.00 3.15 3.14 0.00 5.91 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 39 D 8.35 4.54 0.00 2.72 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 40 K 8.21 5.04 0.00 1.85 1.98 0.00 1.82 0.00 0.00 2.10 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.59 7.81 41 I 8.38 5.07 1.99 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 1.28 0.68 1.03 0.00 0.00 42 W 9.70 5.37 0.00 3.16 3.25 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 0.00 43 C 9.40 5.26 0.00 2.78 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 44 C 9.02 5.25 0.00 2.85 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 45 R 8.49 5.11 0.00 1.74 1.86 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 46 S 8.72 4.57 0.00 3.80 3.90 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 47 G 9.00 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 0.00 0.00 0.00 48 S 9.81 4.31 0.00 3.83 3.97 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 49 A 8.88 3.98 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 50 A 7.97 3.94 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 51 D 8.37 4.32 0.00 2.72 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 52 T 8.39 4.03 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 1.32 0.00 0.00 53 Q 8.39 3.96 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 54 A 8.03 4.10 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 55 I 7.96 3.65 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 1.01 0.00 0.00 56 A 8.48 4.02 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.53 4.33 0.00 2.81 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 58 I 7.53 3.79 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.96 0.00 0.00 59 V 7.95 3.41 1.64 0.00 0.00 0.00 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 -0.18 0.00 0.00 60 Q 8.32 4.05 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 7.90 4.02 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 62 H 8.34 3.90 0.00 3.32 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.26 4.02 0.00 1.64 1.64 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.26 3.90 0.00 2.05 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 2.24 2.29 0.00 65 L 7.57 3.82 0.00 1.36 1.35 0.82 0.82 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 66 Y 7.97 3.87 0.00 3.29 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 67 T 8.07 4.64 4.46 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 1.28 0.00 0.00 68 S 7.78 4.17 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 69 Q 7.07 3.97 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.32 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 70 Y 7.63 4.55 0.00 2.43 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 *72 G 7.62 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.57 4.27 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 1.28 0.00 0.00 74 P 0.00 4.52 0.00 1.71 1.18 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 75 S 8.08 4.43 0.00 4.03 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 76 T 8.24 3.92 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 1.26 0.00 0.00 77 E 8.08 3.93 0.00 2.00 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 2.36 2.39 0.00 78 T 7.99 3.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 79 A 7.81 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.27 4.16 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 81 S 7.99 4.12 0.00 3.98 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 82 V 7.75 3.53 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 0.82 0.00 0.00 0.89 0.00 0.00 83 F 8.17 4.01 0.00 3.32 3.07 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 84 K 8.20 4.00 0.00 1.94 2.07 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.49 3.99 0.00 2.34 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 2.32 2.44 0.00 86 L 8.00 4.03 0.00 1.96 1.73 0.84 0.83 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 87 C 8.45 4.25 0.00 3.02 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 88 Y 8.53 4.19 0.00 3.01 3.05 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 89 E 8.21 3.94 0.00 2.34 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 2.39 2.37 0.00 90 N 7.85 5.02 0.00 2.90 2.74 0.00 0.00 6.59 7.39 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 91 K 7.80 3.65 0.00 1.83 2.05 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 D 7.59 4.33 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 *94 N 7.88 5.08 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.73 5.14 0.00 1.59 1.54 0.99 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 96 T 8.59 4.73 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 1.22 0.00 0.00 97 A 8.22 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.05 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 0.00 0.00 0.00 99 I 8.29 4.86 1.75 0.00 0.00 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 1.31 0.73 0.40 0.00 0.00 100 I 8.37 4.36 1.84 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 1.08 1.07 0.89 0.00 0.00 101 V 8.32 4.68 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 0.81 0.00 0.00 0.52 0.00 0.00 102 A 9.20 4.82 1.25 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 0.00 0.00 0.00 103 G 8.66 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.88 4.76 0.00 3.01 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 0.00 105 D 7.46 4.11 0.00 2.43 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.