NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3604 8.1733 120.0847 55.9796 35.3496 175.2351 4 I 5.0003 7.1504 118.0262 58.6337 39.3741 173.7310 5 R 5.5634 8.6070 124.9534 53.7907 33.6675 173.1912 6 I 5.5897 8.6060 120.7444 58.5171 40.0975 174.7241 7 K 4.6636 8.6223 127.0642 54.7127 33.9252 175.7249 8 L 4.6976 8.7085 127.3831 54.1216 42.3851 175.8544 9 R 5.1326 9.5897 128.0732 54.3664 32.9488 175.0409 10 G 3.6071 7.6201 108.7136 45.8316 0.0000 173.1663 11 F 5.1424 8.2228 117.8804 58.4679 41.8335 174.7653 12 D 4.7063 8.0672 119.2792 53.8279 42.3601 176.8034 13 H 4.2102 8.8874 123.4552 58.3405 28.4698 177.5403 14 K 3.7965 8.0584 122.4949 59.5122 31.8059 178.5485 15 T 4.0579 7.8781 108.5150 63.3173 68.7758 175.0329 16 L 4.9820 7.2298 122.7284 54.7124 43.0017 176.5791 17 D 4.6091 8.1784 115.8856 55.6580 41.4443 176.3586 18 A 4.5670 7.6426 119.9087 54.2404 20.2626 178.4121 19 S 3.6774 7.6065 112.7890 61.1110 62.5695 176.5368 20 A 4.1254 7.3357 121.9906 54.5918 19.0753 178.6134 21 Q 4.0294 8.0754 116.2477 59.4109 28.7590 178.2532 22 K 4.0505 8.8012 121.3149 59.2702 32.9425 179.2455 23 I 4.0881 7.2461 119.5645 60.4120 34.3400 175.9572 24 V 4.5219 7.1843 120.4336 64.6715 37.1181 176.2211 25 E 4.1361 8.1328 117.9979 59.3835 29.3312 178.5184 26 A 4.3233 7.9596 117.5307 52.6476 19.0916 177.6909 27 A 4.4816 7.4798 117.6614 54.3803 20.3057 179.3024 28 R 3.9136 9.3344 116.0898 59.3037 30.1002 179.1882 29 R 3.9792 7.5867 118.5838 58.6786 30.2228 177.3759 30 S 4.9424 8.8195 112.3256 55.1700 64.6067 174.0687 31 G 4.0728 7.4354 109.6460 44.8702 0.0000 172.4138 32 A 3.9332 8.7702 120.6687 53.0633 18.4997 177.3324 33 Q 3.8690 8.3477 121.4358 53.2539 31.3902 176.3832 34 V 4.9162 8.1417 119.9637 61.2469 35.8892 174.5098 35 S 4.5601 9.2231 118.3091 56.1403 63.6161 174.5398 36 G 3.9056 8.6252 114.3921 44.3845 0.0000 170.3464 37 P 4.2776 0.0000 0.0000 62.6717 29.8658 175.7463 38 I 4.5308 8.7921 118.5708 58.2609 39.8678 172.9288 39 P 5.1093 0.0000 0.0000 61.1633 32.1270 175.8320 40 L 4.4750 8.6574 126.1571 53.7406 41.8246 174.9392 41 P 4.1796 0.0000 0.0000 63.9961 31.2335 176.0804 42 T 4.3481 8.2345 117.4241 63.3590 69.8661 174.2843 43 R 4.6614 8.2745 123.2675 55.3354 33.0074 175.5862 44 V 4.6207 7.6374 116.0201 62.0141 33.9313 173.2861 45 R 4.3052 8.3618 122.7889 54.0199 31.8509 176.0894 46 R 4.9090 8.1464 127.9143 55.0144 30.1197 177.1740 47 F 4.5438 7.1763 114.3000 57.4121 39.5517 174.9004 48 T 5.1268 8.4938 117.3474 62.2041 72.1820 173.0157 49 V 4.5271 7.8746 120.6285 61.4814 35.5581 173.1626 50 I 3.7631 8.5698 119.9842 61.6774 37.1721 176.0396 51 R 3.4060 8.2403 124.9381 59.4558 30.6917 177.2732 52 G 3.9785 7.8269 109.8927 45.4279 0.0000 171.5921 53 P 4.3282 0.0000 0.0000 65.5938 31.0609 177.1691 54 F 4.7427 7.5594 120.8534 58.2650 39.9785 174.8829 55 K 4.1879 7.1575 121.6426 55.6674 35.7734 177.0496 56 H 4.6701 8.7231 121.2666 57.8244 30.5277 177.1015 57 K 4.3724 7.4068 119.9939 58.8781 32.6560 176.5991 58 D 4.5383 8.1260 119.3023 52.6445 42.0985 176.4996 59 S 3.5375 8.1403 107.2597 59.7510 61.5034 170.5380 60 R 5.0278 7.4216 130.4327 56.1638 33.7718 175.0748 61 E 4.4955 8.5465 120.9847 56.7490 33.6396 175.1986 62 H 4.8958 8.9511 122.8343 53.8968 30.9334 173.7390 63 F 5.3125 8.6509 118.7426 55.8109 42.8715 174.1740 64 E 5.1375 8.4155 117.3499 54.0219 32.2738 174.8392 65 L 4.1255 8.2543 126.9053 54.0905 42.7934 175.7188 66 R 4.3989 8.5087 126.5171 56.0192 29.9919 176.4039 67 T 4.7019 8.1950 120.5702 61.7321 68.2253 174.3074 68 H 4.7212 8.5673 123.5657 55.8041 30.8163 174.6573 69 N 4.8219 8.6083 117.3342 51.9155 41.5517 172.4142 70 R 4.8762 8.7733 124.5491 54.3953 32.3573 174.5863 71 L 5.1651 9.5812 127.9496 53.6381 46.1557 175.1305 72 V 4.8242 7.9296 121.1937 62.8182 35.6612 172.1422 73 D 5.3013 9.6056 127.1686 52.5913 44.2340 174.8131 74 I 4.5740 8.2168 115.7978 60.2162 39.2886 176.9119 75 I 3.9076 8.8256 118.6786 63.6346 38.0641 176.1159 76 N 4.8906 7.8408 119.3523 50.3441 41.7452 172.2841 77 P 4.3746 0.0000 0.0000 63.1910 29.8985 174.2590 78 N 4.6264 8.3556 123.2030 52.7389 39.1427 176.6850 79 R 4.2105 8.6979 119.7523 57.3805 29.7840 176.6922 80 K 4.5850 8.0831 118.8669 56.0612 32.3875 176.7527 81 T 4.7092 7.5254 105.8916 61.7177 72.4307 175.3948 82 I 3.8654 7.9058 121.6365 63.0679 37.4433 175.9263 83 E 4.3466 8.0315 119.7957 57.7609 30.0205 176.3044 84 Q 3.7892 7.5863 115.5438 60.0564 29.2752 179.2061 85 L 3.8123 7.8997 118.5146 58.9128 42.5649 179.9209 86 M 3.7803 7.7621 116.6936 58.6540 32.7391 176.6567 87 T 4.7250 7.3126 108.6245 61.0901 68.7745 173.6490 88 L 4.5953 8.1239 118.8695 55.5517 42.8275 174.8490 89 D 4.3303 8.0030 116.4668 54.8802 41.1142 177.9732 90 L 4.6957 8.0645 126.2321 53.7904 44.2773 171.9366 91 P 4.9678 0.0000 0.0000 62.4740 30.6888 175.9356 92 T 4.7435 8.3496 106.6835 62.7482 73.7664 173.8716 93 G 4.1879 7.4664 106.1478 44.9249 0.0000 173.2056 94 V 4.1232 7.9516 119.2958 61.5001 33.6566 174.3303 95 E 4.8205 8.4466 123.6973 54.2094 32.5550 174.2057 96 I 5.8136 8.3031 118.9427 58.2054 40.9699 174.0752 97 E 4.9029 8.7026 122.2924 54.7663 33.7703 174.5122 98 I 5.7798 8.0269 119.7460 59.1390 41.8461 174.8228 99 K 4.7179 8.3765 122.1321 54.8260 36.7980 175.6142 100 T 5.6349 7.8022 108.1963 60.4758 68.3908 174.8187 *101 V 3.9054 7.5564 121.9778 61.7075 32.3498 177.1509 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 K 8.17 4.36 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 4 I 7.15 5.00 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 1.09 2.13 0.91 0.00 0.00 5 R 8.61 5.56 0.00 1.82 1.73 0.00 3.16 0.00 0.00 3.34 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 6 I 8.61 5.59 1.86 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 1.24 1.32 0.95 0.00 0.00 7 K 8.62 4.66 0.00 1.70 1.77 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 8 L 8.71 4.70 0.00 1.64 1.60 0.91 0.67 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 9 R 9.59 5.13 0.00 1.54 1.87 0.00 3.21 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.36 0.00 10 G 7.62 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 0.00 0.00 0.00 11 F 8.22 5.14 0.00 3.07 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 12 D 8.07 4.71 0.00 2.81 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 13 H 8.89 4.21 0.00 3.27 3.17 0.00 5.52 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 14 K 8.06 3.80 0.00 1.56 2.04 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.39 7.81 15 T 7.88 4.06 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 1.26 0.00 0.00 16 L 7.23 4.98 0.00 1.96 1.64 0.98 1.29 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 17 D 8.18 4.61 0.00 2.82 2.64 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 0.00 0.00 0.00 0.00 18 A 7.64 4.57 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 19 S 7.61 3.68 0.00 4.23 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 20 A 7.34 4.13 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 21 Q 8.08 4.03 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 22 K 8.80 4.05 0.00 1.92 1.76 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.62 7.81 23 I 7.25 4.09 1.86 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 1.40 0.81 0.91 0.00 0.00 24 V 7.18 4.52 2.25 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 0.98 0.00 0.00 0.97 0.00 0.00 25 E 8.13 4.14 0.00 2.11 1.97 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 2.32 2.25 0.00 26 A 7.96 4.32 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 27 A 7.48 4.48 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.33 3.91 0.00 1.98 1.96 0.00 3.16 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 29 R 7.59 3.98 0.00 1.82 2.12 0.00 3.22 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 30 S 8.82 4.94 0.00 4.35 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 31 G 7.44 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 32 A 8.77 3.93 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 33 Q 8.35 3.87 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 34 V 8.14 4.92 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 0.90 0.00 0.00 0.93 0.00 0.00 35 S 9.22 4.56 0.00 3.99 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 36 G 8.63 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.28 0.00 2.05 2.06 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 38 I 8.79 4.53 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 1.36 0.99 0.96 0.00 0.00 39 P 0.00 5.11 0.00 2.11 2.12 0.00 3.76 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 1.94 1.96 0.00 40 L 8.66 4.47 0.00 1.65 1.72 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.18 0.00 2.19 2.13 0.00 3.75 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 1.99 2.02 0.00 42 T 8.23 4.35 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 1.09 0.00 0.00 43 R 8.27 4.66 0.00 1.74 1.85 0.00 3.31 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 44 V 7.64 4.62 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 0.86 0.00 0.00 0.89 0.00 0.00 45 R 8.36 4.31 0.00 1.42 1.25 0.00 3.47 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 46 R 8.15 4.91 0.00 1.63 1.85 0.00 3.21 0.00 0.00 2.25 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 47 F 7.18 4.54 0.00 3.08 3.26 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 48 T 8.49 5.13 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 1.02 0.00 0.00 49 V 7.87 4.53 2.11 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 0.91 0.00 0.00 0.94 0.00 0.00 50 I 8.57 3.76 1.86 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 1.34 0.96 0.88 0.00 0.00 51 R 8.24 3.41 0.00 2.14 1.91 0.00 3.28 0.00 0.00 3.21 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 52 G 7.83 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 53 P 0.00 4.33 0.00 2.27 2.24 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 54 F 7.56 4.74 0.00 2.92 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 55 K 7.16 4.19 0.00 1.19 1.30 0.00 1.44 0.00 0.00 1.39 0.00 0.00 2.80 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.63 0.21 7.81 56 H 8.72 4.67 0.00 3.11 3.17 0.00 5.65 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 57 K 7.41 4.37 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 58 D 8.13 4.54 0.00 2.62 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 59 S 8.14 3.54 0.00 4.04 4.04 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 60 R 7.42 5.03 0.00 1.54 2.01 0.00 3.16 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 61 E 8.55 4.50 0.00 1.88 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 1.72 2.07 0.00 62 H 8.95 4.90 0.00 3.04 3.35 0.00 5.54 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 63 F 8.65 5.31 0.00 3.20 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 64 E 8.42 5.14 0.00 1.77 1.76 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 2.14 2.09 0.00 65 L 8.25 4.13 0.00 1.70 1.57 0.47 1.17 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 66 R 8.51 4.40 0.00 1.79 1.81 0.00 3.28 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 67 T 8.20 4.70 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 1.16 0.00 0.00 68 H 8.57 4.72 0.00 3.15 3.24 0.00 5.76 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 69 N 8.61 4.82 0.00 2.57 2.69 0.00 0.00 6.42 7.66 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 70 R 8.77 4.88 0.00 1.91 1.93 0.00 3.15 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 71 L 9.58 5.17 0.00 1.77 1.54 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.93 4.82 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 0.97 0.00 0.00 0.99 0.00 0.00 73 D 9.61 5.30 0.00 2.52 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 74 I 8.22 4.57 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 1.44 0.85 0.91 0.00 0.00 75 I 8.83 3.91 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 1.43 0.59 0.96 0.00 0.00 76 N 7.84 4.89 0.00 2.61 2.66 0.00 0.00 6.98 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 77 P 0.00 4.37 0.00 2.21 2.09 0.00 3.81 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 1.98 1.99 0.00 78 N 8.36 4.63 0.00 2.77 2.79 0.00 0.00 7.03 7.66 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 79 R 8.70 4.21 0.00 1.80 1.96 0.00 3.34 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 80 K 8.08 4.58 0.00 1.66 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.48 7.81 81 T 7.53 4.71 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 1.30 0.00 0.00 82 I 7.91 3.87 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 1.48 0.80 0.91 0.00 0.00 83 E 8.03 4.35 0.00 1.91 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 0.00 2.20 2.30 0.00 84 Q 7.59 3.79 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 85 L 7.90 3.81 0.00 1.72 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.76 3.78 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 87 T 7.31 4.73 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 88 L 8.12 4.60 0.00 1.86 1.62 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.00 4.33 0.00 2.70 2.67 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 90 L 8.06 4.70 0.00 1.70 1.53 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.97 0.00 2.20 1.07 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 92 T 8.35 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 1.23 0.00 0.00 93 G 7.47 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 0.00 0.00 0.00 0.00 94 V 7.95 4.12 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 0.80 0.00 0.00 0.92 0.00 0.00 95 E 8.45 4.82 0.00 1.99 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 0.00 2.20 2.29 0.00 96 I 8.30 5.81 1.86 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 1.34 1.51 0.93 0.00 0.00 97 E 8.70 4.90 0.00 1.85 1.84 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 2.26 2.22 0.00 98 I 8.03 5.78 1.87 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 1.35 0.87 0.91 0.00 0.00 99 K 8.38 4.72 0.00 1.60 1.67 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.35 7.81 100 T 7.80 5.63 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 *101 V 7.56 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.