NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.8433 8.4293 117.8287 55.5715 30.6395 175.0300 0 H 4.2600 7.9690 117.0108 54.4638 27.0714 173.1203 2 D 4.8530 9.3661 121.4051 55.9449 41.1639 174.9434 3 I 4.5354 7.9995 123.5369 60.0350 38.8418 174.9192 4 R 4.4939 9.0620 126.9989 54.6695 32.4961 173.9547 5 Y 5.0375 8.3563 123.0307 56.3098 40.7332 175.0548 6 F 4.7801 9.1356 121.2476 55.9746 43.2912 175.4043 7 G 4.1145 8.9833 110.9943 46.8902 0.0000 173.7005 8 T 4.1703 7.9525 115.4299 63.1595 69.0416 174.5836 9 T 4.5627 8.2529 115.6114 58.6146 71.7004 173.1164 10 P 4.2190 0.0000 0.0000 64.5744 31.4369 177.3565 11 R 4.4099 6.9883 116.7917 57.3835 31.5944 175.1496 12 Y 4.7417 6.9748 112.6167 56.1814 40.8542 172.6961 13 S 5.1608 8.5024 116.7389 56.8465 64.7306 174.3270 14 E 3.9871 8.5203 123.5784 59.0816 30.2326 177.0120 15 A 5.1806 8.1591 119.3144 50.3006 23.3501 175.4871 16 V 4.9451 9.3233 120.2332 61.1336 35.3810 174.4473 17 G 4.7256 9.7253 114.3945 44.5256 0.0000 171.6308 18 A 5.0458 9.2148 124.8276 51.2454 23.1896 175.8846 19 N 4.1030 9.9921 120.2701 54.5961 37.7729 175.3173 20 G 4.0207 8.2450 104.2595 45.3122 0.0000 173.6966 21 L 4.7492 7.8109 120.2508 54.1655 43.6728 175.9006 22 I 5.0140 8.3620 121.9308 59.5798 41.1674 174.3152 23 F 5.0860 9.5410 125.5402 55.6893 41.6043 174.3938 24 L 5.0495 8.7295 124.3198 53.1685 43.0688 177.0345 25 S 4.1979 8.7757 119.3506 58.5264 63.6563 176.3999 26 G 4.1686 8.0531 108.8884 44.9403 0.0000 173.2048 *28 V 3.4263 7.9747 111.3910 59.9935 32.4597 173.6656 29 P 4.3593 0.0000 0.0000 62.9364 31.5357 176.5221 30 E 4.4848 9.7754 122.6650 56.9092 30.4407 175.4962 31 N 4.9522 7.7303 114.2344 52.5282 42.8703 174.4134 32 G 4.2234 8.7897 104.6302 46.2986 0.0000 172.8464 33 E 4.5095 9.0995 118.7035 57.6598 31.7719 178.1021 34 T 4.2263 7.8358 108.1064 60.8715 71.0890 175.0347 35 A 3.9727 8.5727 123.3640 55.5034 18.3636 179.9542 36 A 3.9579 8.2658 119.0858 55.2575 18.5735 179.7488 37 E 3.8820 8.2049 117.0506 59.8188 29.5252 179.7279 38 Q 4.1618 8.4333 118.4046 59.0127 28.6678 178.7230 39 T 3.7643 8.3183 117.0558 66.7088 68.4886 176.2658 40 A 3.8688 7.8691 122.4830 55.3232 18.3550 179.2207 41 D 4.1833 7.9698 116.0890 57.3645 41.2970 178.6389 42 V 3.5075 7.9168 119.0027 65.9918 31.4419 178.0810 43 L 3.4494 7.9409 118.6717 57.3116 41.2561 179.2542 44 A 3.9959 8.0980 121.0404 55.3194 18.3181 179.7304 45 Q 3.9652 8.1381 116.4909 59.0666 28.7301 179.0593 46 I 3.8567 7.8450 120.8531 64.4563 37.1680 177.9069 47 D 4.5184 8.4473 119.9750 57.6846 40.8041 179.2702 48 R 3.7135 7.8124 117.9869 59.2152 29.9345 179.3087 49 W 4.3554 8.0939 118.5136 59.5996 29.0649 178.5621 50 L 3.9793 8.5408 119.2962 57.9038 41.1040 179.5348 51 A 4.2172 7.8827 121.8534 54.7006 18.0901 179.4871 52 E 3.9800 7.7600 115.6316 59.4732 29.6082 178.4975 53 C 3.8929 7.3837 114.0099 58.8817 28.6206 173.6697 54 G 3.7786 8.1512 109.3903 46.6886 0.0000 173.2440 55 S 4.9762 8.1973 114.5455 56.8709 65.8907 171.2009 56 D 4.4810 7.9326 118.8652 52.2827 41.2996 176.1683 57 K 3.6397 8.4424 117.7230 59.5845 32.2588 177.5432 58 A 4.1749 7.6700 119.9570 52.8185 18.5053 176.9252 59 H 4.8294 8.2230 113.6742 55.4298 30.0543 173.0845 60 V 4.1860 7.7680 119.3643 62.4508 32.3594 175.6068 61 L 4.3929 8.8815 127.3703 57.0433 43.1437 176.4020 62 D 5.2103 7.8464 116.4666 52.8284 45.2377 174.0804 63 A 5.0781 9.1399 126.3684 50.4615 22.7123 174.7439 64 V 4.4423 9.0376 123.6515 61.2605 33.9654 174.4473 65 I 4.7282 8.2064 128.8475 59.7107 39.7058 173.9611 66 Y 5.2201 9.1478 125.4882 56.2061 40.3730 174.7689 67 L 5.1590 8.7047 123.9507 52.7691 44.4074 177.7283 68 R 4.2826 8.7707 124.0631 58.7390 30.9383 175.2870 69 D 4.7089 7.6435 116.5219 52.9672 43.9204 174.7310 *71 G 3.9600 8.5900 104.9093 45.8106 0.0000 173.2245 72 D 4.6900 8.1479 118.9413 54.6657 40.9599 177.4193 73 Y 4.0053 8.1736 120.9182 60.8882 39.1743 177.2392 74 A 4.0168 8.3032 121.8443 55.3832 18.9127 179.7528 75 E 3.8493 7.6840 112.8152 57.2016 29.1666 178.0648 *77 N 4.7344 8.3048 117.0730 52.7494 40.4554 176.9338 78 G 3.6190 8.1235 104.9000 47.8566 0.0000 175.9557 79 V 3.6854 7.5158 119.3701 65.2054 31.5948 177.8445 80 W 4.2057 8.2185 127.6392 60.7929 30.4162 177.3381 81 D 4.4639 8.8634 117.4912 57.5585 40.4063 178.6245 82 A 4.1299 7.7011 119.1399 53.8914 18.3933 178.7759 83 W 4.3589 7.3755 125.4825 58.7308 31.5359 177.3453 84 V 2.9185 6.8154 110.2296 61.0254 31.7696 175.2925 85 A 4.1299 7.7483 124.5901 50.5595 19.6546 177.1057 86 A 4.1200 8.3000 126.2533 53.5334 18.8122 178.2227 87 G 4.0434 9.0381 110.3992 45.8472 0.0000 173.7498 88 R 4.6579 7.6338 118.5185 55.8209 31.4655 175.4967 89 T 4.0822 7.9618 107.8681 60.7589 69.6974 172.3834 90 P 4.7742 0.0000 0.0000 61.7763 33.2490 175.3929 91 A 4.3210 8.7595 121.7873 52.4844 19.4083 176.6873 92 R 5.1859 8.2971 118.6880 55.0681 33.4489 173.9545 93 A 4.7579 8.6359 125.3805 50.6261 23.3284 174.6976 94 C 4.9255 8.3286 119.2118 58.1722 34.5075 173.5589 95 V 4.5623 8.4816 118.4255 59.3454 36.2233 174.1162 96 E 4.8427 8.7477 123.4390 55.9699 29.9410 175.6607 97 A 4.7223 9.1901 127.8213 50.4148 23.2790 175.3269 98 R 4.1618 8.7035 123.0251 56.5576 29.4894 176.4201 99 L 4.5530 8.4898 125.6718 52.9743 43.6612 177.2459 100 A 4.2049 8.7715 121.9532 54.4007 18.7837 178.0817 101 R 4.2261 6.2991 112.9508 53.3327 32.7424 175.3048 102 P 4.2540 0.0000 0.0000 65.4386 31.5271 177.7310 103 E 4.1267 7.7788 116.0892 57.8332 29.7434 176.7564 104 W 4.8466 7.7224 119.6564 56.5310 29.7090 176.2679 105 R 4.6634 9.9422 123.0164 57.1294 31.2771 176.6474 106 V 5.1034 7.6177 116.6155 60.3291 34.5400 173.9083 107 E 4.6568 9.4059 123.2691 54.8483 33.3379 173.6930 108 I 4.8705 8.4432 126.7585 59.3399 40.4154 174.4882 109 K 4.6166 9.3623 128.6404 54.7438 34.3749 174.6082 110 I 5.1075 8.4602 127.7080 59.8549 40.3656 174.4584 111 T 4.8476 8.8625 122.5904 61.8067 71.5350 173.2463 112 A 5.2921 8.6739 126.5573 50.6521 23.5800 174.5750 113 V 4.7588 8.3534 118.0411 59.5757 33.9186 175.9634 114 K 4.1193 8.9893 125.4257 56.2940 32.6576 176.8898 115 R 4.0138 8.4734 126.9465 56.3662 30.5273 176.6523 116 D 4.5231 8.6638 122.3745 53.2734 41.9433 176.4051 117 A 4.1642 8.5966 122.7190 52.9508 18.2073 177.7391 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 H 8.43 4.84 0.00 3.17 3.54 0.00 5.87 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.97 4.26 0.00 3.33 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 9.37 4.85 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.00 4.54 1.73 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 0.16 0.00 0.00 4 R 9.06 4.49 0.00 1.83 1.80 0.00 2.98 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.97 0.00 5 Y 8.36 5.04 0.00 2.77 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 6 F 9.14 4.78 0.00 2.98 3.22 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 7 G 8.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.95 4.17 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 1.05 0.00 0.00 9 T 8.25 4.56 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 10 P 0.00 4.22 0.00 2.00 2.11 0.00 3.51 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 11 R 6.99 4.41 0.00 1.78 1.90 0.00 3.54 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 12 Y 6.97 4.74 0.00 3.18 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 13 S 8.50 5.16 0.00 3.94 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 0.00 14 E 8.52 3.99 0.00 1.16 1.12 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 2.35 1.98 0.00 15 A 8.16 5.18 1.18 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 0.00 0.00 0.00 16 V 9.32 4.95 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 0.67 0.00 0.00 1.08 0.00 0.00 17 G 9.73 4.73 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 18 A 9.21 5.05 1.26 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 0.00 0.00 19 N 9.99 4.10 0.00 2.92 2.88 0.00 0.00 7.17 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 20 G 8.25 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 0.00 0.00 0.00 21 L 7.81 4.75 0.00 1.88 1.49 1.05 0.87 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 22 I 8.36 5.01 1.84 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 1.19 0.68 0.86 0.00 0.00 23 F 9.54 5.09 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 5.05 0.00 1.73 1.61 0.97 1.30 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 25 S 8.78 4.20 0.00 3.66 3.56 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 26 G 8.05 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 V 7.97 3.43 0.67 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 0.20 0.00 0.00 0.14 0.00 0.00 29 P 0.00 4.36 0.00 1.98 1.92 0.00 2.59 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 30 E 9.78 4.48 0.00 1.99 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 2.28 2.22 0.00 31 N 7.73 4.95 0.00 2.78 2.67 0.00 0.00 7.03 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 32 G 8.79 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 33 E 9.10 4.51 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 34 T 7.84 4.23 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 1.23 0.00 0.00 35 A 8.57 3.97 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 36 A 8.27 3.96 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 37 E 8.20 3.88 0.00 2.21 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 2.36 0.00 38 Q 8.43 4.16 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 39 T 8.32 3.76 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 1.21 0.00 0.00 40 A 7.87 3.87 1.35 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 41 D 7.97 4.18 0.00 2.81 2.77 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 42 V 7.92 3.51 2.09 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 0.88 0.00 0.00 0.83 0.00 0.00 43 L 7.94 3.45 0.00 1.31 0.23 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.10 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 3.97 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 46 I 7.84 3.86 1.95 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 1.59 0.75 1.12 0.00 0.00 47 D 8.45 4.52 0.00 2.96 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 48 R 7.81 3.71 0.00 1.73 1.44 0.00 2.88 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 49 W 8.09 4.36 0.00 3.48 3.22 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 50 L 8.54 3.98 0.00 1.75 1.84 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.88 4.22 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 52 E 7.76 3.98 0.00 2.17 2.18 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 2.29 2.29 0.00 53 C 7.38 3.89 0.00 2.84 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 54 G 8.15 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.20 4.98 0.00 3.75 3.76 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 56 D 7.93 4.48 0.00 2.81 2.68 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 57 K 8.44 3.64 0.00 0.79 1.26 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.45 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.01 0.88 7.81 58 A 7.67 4.17 1.19 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 59 H 8.22 4.83 0.00 3.28 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.77 4.19 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 1.00 0.00 0.00 1.07 0.00 0.00 61 L 8.88 4.39 0.00 1.70 1.67 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.85 5.21 0.00 2.76 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 0.00 0.00 0.00 0.00 63 A 9.14 5.08 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 64 V 9.04 4.44 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 0.22 0.00 0.00 0.88 0.00 0.00 65 I 8.21 4.73 1.68 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.77 0.00 0.00 66 Y 9.15 5.22 0.00 2.84 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 67 L 8.70 5.16 0.00 1.61 1.69 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.77 4.28 0.00 2.03 2.02 0.00 3.07 0.00 0.00 3.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.64 4.71 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 3.96 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 0.00 0.00 0.00 72 D 8.15 4.69 0.00 2.94 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 73 Y 8.17 4.01 0.00 2.80 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 74 A 8.30 4.02 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 75 E 7.68 3.85 0.00 1.87 2.04 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 2.37 2.29 0.00 *77 N 8.30 4.73 0.00 2.79 2.76 0.00 0.00 6.90 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.12 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.52 3.69 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 0.98 0.00 0.00 0.99 0.00 0.00 80 W 8.22 4.21 0.00 3.47 3.19 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 81 D 8.86 4.46 0.00 2.74 2.78 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 0.00 0.00 0.00 0.00 82 A 7.70 4.13 1.39 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 83 W 7.38 4.36 0.00 3.21 3.19 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 84 V 6.82 2.92 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 -0.12 0.00 0.00 0.83 0.00 0.00 85 A 7.75 4.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.12 1.19 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 87 G 9.04 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 0.00 0.00 0.00 88 R 7.63 4.66 0.00 1.63 1.74 0.00 3.06 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.96 4.08 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 1.23 0.00 0.00 90 P 0.00 4.77 0.00 2.26 2.29 0.00 3.99 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.24 0.00 91 A 8.76 4.32 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 92 R 8.30 5.19 0.00 1.82 1.68 0.00 2.21 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.27 0.00 93 A 8.64 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.33 4.93 0.00 2.84 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 95 V 8.48 4.56 2.09 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 0.57 0.00 0.00 0.93 0.00 0.00 96 E 8.75 4.84 0.00 1.98 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 2.30 2.58 0.00 97 A 9.19 4.72 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 98 R 8.70 4.16 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 99 L 8.49 4.55 0.00 2.03 1.94 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.77 4.20 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 0.00 101 R 6.30 4.23 0.00 0.67 1.26 0.00 2.90 0.00 0.00 2.85 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 102 P 0.00 4.25 0.00 1.96 2.05 0.00 3.44 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 103 E 7.78 4.13 0.00 2.00 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 2.29 2.33 0.00 104 W 7.72 4.85 0.00 3.50 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 0.00 105 R 9.94 4.66 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.43 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 V 7.62 5.10 2.09 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 0.63 0.00 0.00 0.91 0.00 0.00 107 E 9.41 4.66 0.00 2.00 1.87 0.00 0.00 0.00 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 2.21 0.00 108 I 8.44 4.87 1.86 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 1.16 0.76 0.98 0.00 0.00 109 K 9.36 4.62 0.00 1.96 1.92 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 110 I 8.46 5.11 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.98 0.00 0.00 111 T 8.86 4.85 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 0.70 0.00 0.00 112 A 8.67 5.29 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 0.00 113 V 8.35 4.76 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 0.79 0.00 0.00 0.99 0.00 0.00 114 K 8.99 4.12 0.00 1.73 1.75 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 115 R 8.47 4.01 0.00 1.82 1.77 0.00 3.11 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.11 0.00 116 D 8.66 4.52 0.00 2.66 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 0.00 117 A 8.60 4.16 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 * Residues marked with a * may have inaccurate shift predictions.