NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 P 4.2873 0.0000 0.0000 61.7922 32.5134 175.4300 -2 R 3.8289 8.4582 124.3074 57.3886 30.1590 174.8414 -1 G 3.9681 9.1969 114.2437 45.9571 0.0000 173.5327 0 S 4.2879 7.6462 113.9355 58.4332 62.8760 173.4268 -1 R 4.3481 9.0969 125.9437 56.8572 29.5180 174.9328 0 V 3.9379 7.3662 117.4355 62.3332 31.9760 175.1268 4 L 4.7290 8.5845 129.9810 53.4702 43.9256 174.8345 5 L 4.7692 8.9076 126.5088 53.1042 44.5542 175.7086 6 I 4.5922 8.1519 126.0172 60.1957 38.2993 175.0069 7 E 4.7156 9.0531 129.4854 55.0376 32.3689 175.9882 8 K 3.7973 8.8981 129.2165 58.8296 32.7593 176.4466 9 N 4.6293 8.6558 118.4098 52.3485 38.8561 175.3955 10 S 4.1462 8.4719 124.8621 61.1487 63.2577 176.4380 11 V 3.5301 7.6966 121.4606 65.7633 31.4427 177.5827 12 L 4.3412 7.3849 121.0464 57.6126 41.9629 178.8847 13 G 3.7437 8.5460 106.2365 47.7460 0.0000 175.7162 14 G 3.6830 8.3257 108.4058 47.7452 0.0000 175.5495 15 E 3.9865 8.2138 121.1049 59.0826 29.3899 179.6875 16 I 3.6571 7.8755 119.8266 64.1619 37.1730 177.7440 17 E 3.8875 8.2520 120.3829 59.4019 29.5050 178.8032 18 K 4.0163 8.3044 119.5754 59.5251 32.0078 178.8481 19 G 3.6488 7.9080 104.7579 47.8746 0.0000 175.3575 20 L 4.2394 8.3807 121.9124 57.5968 41.6288 179.1151 21 N 4.5943 8.6095 118.2639 55.7596 38.2278 177.2022 22 V 3.6390 7.4788 118.1931 65.6404 31.5329 176.7342 23 K 4.2833 7.9484 114.9702 56.1767 31.9833 177.4243 24 G 3.8753 8.2554 107.3192 45.3603 0.0000 175.1121 25 F 4.4828 7.6086 122.4595 57.0544 39.5536 173.8781 *27 A 5.3032 8.3141 125.9512 53.2354 19.8522 176.1107 28 D 4.9877 8.7039 120.8929 52.5294 43.7439 175.2636 29 V 4.7493 8.3969 123.0714 61.6056 33.2639 174.7099 30 T 4.8342 8.8766 122.0313 60.3407 70.6640 174.0201 31 E 4.4559 8.9483 123.3388 56.0964 30.6761 176.3590 32 S 4.6342 7.6775 115.1069 56.2410 64.7983 174.0340 33 L 3.7168 8.3802 130.8539 57.9899 41.9572 178.6556 34 E 3.9870 8.0759 117.3069 59.3234 29.5775 178.3975 35 D 4.4436 8.4131 119.3262 57.0894 41.1132 178.3728 36 G 3.6696 8.0184 104.8465 47.9261 0.0000 174.7448 37 E 4.3448 8.3595 120.9707 59.1056 30.1250 177.9783 38 Y 4.2977 8.1603 119.4704 60.5262 38.9882 178.7680 39 L 3.9081 8.5211 122.0398 55.0274 42.7400 178.9826 *41 D 4.5653 8.1845 119.8108 53.6147 42.7814 176.5918 42 I 4.2398 6.9174 108.6970 60.4152 38.9797 175.6027 43 R 4.4494 7.8955 119.1391 54.2765 33.4253 174.7065 44 N 4.6197 8.2684 117.6972 52.1763 38.7719 174.3614 45 Y 4.7867 8.1656 120.9418 56.7766 40.0626 175.6520 46 D 4.7961 8.6363 121.3786 55.8603 42.8819 176.0766 47 L 5.0991 7.7764 119.0591 53.9296 45.8521 174.9566 48 V 5.4183 8.8111 124.7845 58.8790 35.2697 173.7609 *50 V 4.1432 8.1792 118.1816 62.1976 32.8967 174.5138 51 S 5.0644 8.2658 120.6562 56.2873 64.7932 173.0358 52 D 4.4511 8.2551 121.6648 53.0970 43.7157 175.5751 53 K 4.1314 8.7914 123.5422 59.2547 32.4507 177.6880 54 N 4.9148 8.5735 115.7887 53.2735 39.3075 177.4187 55 A 4.1426 8.0871 122.7328 55.2009 18.4862 179.8525 56 L 4.0148 7.9132 117.4164 57.9475 41.8298 179.6615 57 S 4.1662 8.0868 113.8315 61.3986 62.9676 176.0228 58 F 4.1687 7.9971 122.9312 60.9442 39.0088 177.1542 59 V 3.4320 8.0074 117.8527 66.1450 31.4798 177.9174 60 S 4.0344 7.8309 112.2883 61.4676 62.1759 176.2644 61 R 3.8870 7.9955 120.6711 59.3725 29.7123 179.1917 62 I 3.6423 7.5685 119.5380 64.1739 37.1645 178.6378 63 K 3.7888 8.2008 119.7403 59.0009 31.5395 179.1861 64 E 4.0850 7.7777 117.1143 59.0811 29.9940 178.5348 65 K 4.0770 7.9581 119.5988 57.7478 33.9466 176.6438 66 H 5.0155 8.6144 115.5167 53.9969 28.9547 174.2876 67 S 4.3576 8.2524 115.0214 60.6215 63.4857 176.4754 68 S 4.3855 7.9392 112.8678 59.0686 63.4435 173.9789 69 I 4.1777 7.5196 123.4875 61.1513 37.6364 175.9897 70 V 4.0427 8.5240 127.3562 62.7241 33.0270 174.7610 71 V 4.8455 9.2295 127.5364 61.0991 34.1211 173.8847 72 L 5.1439 8.8990 128.2395 52.9318 44.0831 175.9482 73 V 4.4886 8.5285 123.8615 61.2553 33.6192 174.2885 74 S 5.0032 8.9559 122.3637 56.4758 65.7025 172.5083 75 S 4.7305 8.4561 120.5548 56.6454 65.2202 174.1434 76 D 4.6863 8.8968 125.3665 54.4153 40.1973 176.0859 77 N 4.9287 7.4686 118.4203 50.8419 38.5993 170.9305 78 P 5.1848 0.0000 0.0000 61.9515 32.7941 177.3747 79 T 4.7678 8.2805 111.2350 58.9585 73.2342 174.7353 80 S 4.0083 8.5962 116.1156 61.6969 62.3430 176.0427 81 E 3.7695 8.0858 121.2145 59.4397 29.3212 178.3401 82 E 3.9164 8.1851 119.2014 58.8386 29.6738 178.1637 83 E 2.5400 7.7658 119.5978 58.7501 29.5239 178.8974 84 V 3.6395 7.6980 118.1491 66.4597 31.5853 177.6114 85 H 4.2300 8.0406 115.5361 58.8183 28.5035 177.5982 86 A 3.9471 8.0499 122.6334 55.2773 18.2147 179.7642 87 F 4.3169 8.0454 116.2045 60.8587 38.7805 177.8209 88 E 4.0861 8.4693 117.5282 59.4824 29.3755 179.0039 89 Q 4.2453 8.5115 116.6390 56.6810 28.8255 177.0027 90 G 4.1195 7.8632 108.0695 44.9506 0.0000 174.0025 91 A 4.1450 7.9032 122.5271 52.4395 18.7717 178.0350 92 D 4.8169 9.0228 121.0634 56.4186 41.8685 175.9286 93 D 4.9096 7.6901 116.2873 53.4865 45.2621 173.2041 94 Y 5.1102 8.4537 122.0540 55.8883 42.2482 173.6784 95 I 4.8158 8.1820 126.9603 59.1726 40.7477 174.8345 96 A 4.3660 8.6410 129.1191 51.7988 19.0403 176.6020 97 K 4.1172 8.5403 121.6487 53.6646 33.9796 175.2050 98 P 4.0871 0.0000 0.0000 62.4259 32.0852 175.9782 99 Y 4.3499 7.6637 117.3671 57.7585 38.5892 176.2545 100 R 4.0406 8.8945 123.0509 58.9950 30.5409 177.3400 101 S 4.6797 7.4905 109.7907 56.6463 66.0461 177.4510 102 I 3.6021 7.8407 123.9040 64.6338 36.8574 178.8182 103 K 3.9651 8.0412 118.4743 59.3971 31.9205 179.1320 104 A 3.9700 8.1930 121.1054 54.9564 18.2603 179.4038 105 L 3.7610 8.0296 118.9928 58.2614 42.1380 179.3709 106 V 3.4329 8.1615 118.3468 65.9086 31.4299 177.7523 107 A 4.2292 8.1654 120.6093 55.1568 18.1101 179.6426 108 R 3.8187 7.9734 117.1353 59.6056 29.9855 178.7845 109 I 3.5768 7.5669 118.3677 64.3102 37.4702 177.6673 110 E 4.2291 8.5432 119.5808 59.7691 29.3861 179.5149 111 A 4.0692 8.1618 120.3750 55.2422 18.2544 179.6553 112 R 4.1254 8.2055 115.0053 57.9580 30.2063 177.9701 113 L 4.6331 7.2504 116.7366 54.2509 42.2760 176.2661 114 R 4.1202 7.7966 125.2831 56.5832 30.0336 175.9083 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 P 0.00 4.29 0.00 2.15 2.02 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 -2 R 8.46 3.83 0.00 1.79 1.81 0.00 3.29 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 -1 G 9.20 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 0.00 0.00 0.00 0 S 7.65 4.29 0.00 4.03 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 -1 R 9.10 4.35 0.00 1.80 1.78 0.00 2.21 0.00 0.00 3.27 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 0 V 7.37 3.94 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 4 L 8.58 4.73 0.00 0.27 0.95 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.91 4.77 0.00 1.51 1.49 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.15 4.59 1.69 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.72 0.00 0.00 7 E 9.05 4.72 0.00 2.01 1.73 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 2.23 2.46 0.00 8 K 8.90 3.80 0.00 1.72 1.79 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 9 N 8.66 4.63 0.00 2.80 2.86 0.00 0.00 6.86 8.33 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 10 S 8.47 4.15 0.00 4.08 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 11 V 7.70 3.53 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 1.03 0.00 0.00 0.93 0.00 0.00 12 L 7.38 4.34 0.00 1.82 1.83 1.05 1.29 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 13 G 8.55 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 0.00 0.00 0.00 14 G 8.33 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 0.00 0.00 0.00 15 E 8.21 3.99 0.00 2.24 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 2.43 0.00 16 I 7.88 3.66 1.91 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 1.22 0.76 0.75 0.00 0.00 17 E 8.25 3.89 0.00 2.02 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 0.00 2.33 2.36 0.00 18 K 8.30 4.02 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 G 7.91 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.38 4.24 0.00 1.84 1.79 0.82 0.26 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 21 N 8.61 4.59 0.00 2.93 2.91 0.00 0.00 6.22 7.27 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 22 V 7.48 3.64 2.33 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 0.85 0.00 0.00 1.01 0.00 0.00 23 K 7.95 4.28 0.00 2.15 1.91 0.00 1.99 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 24 G 8.26 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.61 4.48 0.00 3.27 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 *27 A 8.31 5.30 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 28 D 8.70 4.99 0.00 2.73 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 29 V 8.40 4.75 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 0.75 0.00 0.00 1.00 0.00 0.00 30 T 8.88 4.83 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 1.22 0.00 0.00 31 E 8.95 4.46 0.00 2.09 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 2.22 2.18 0.00 32 S 7.68 4.63 0.00 3.89 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 33 L 8.38 3.72 0.00 1.53 1.51 0.52 0.87 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 34 E 8.08 3.99 0.00 2.26 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 0.00 2.36 2.36 0.00 35 D 8.41 4.44 0.00 2.77 2.91 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 36 G 8.02 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 0.00 0.00 0.00 37 E 8.36 4.34 0.00 2.39 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 2.46 2.52 0.00 38 Y 8.16 4.30 0.00 3.20 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 39 L 8.52 3.91 0.00 1.97 1.98 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 *41 D 8.18 4.57 0.00 2.68 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 42 I 6.92 4.24 1.75 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 0.85 0.59 0.49 0.00 0.00 43 R 7.90 4.45 0.00 1.45 1.35 0.00 3.19 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 44 N 8.27 4.62 0.00 2.59 2.71 0.00 0.00 6.90 7.46 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 45 Y 8.17 4.79 0.00 2.98 2.87 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 0.00 0.00 0.00 46 D 8.64 4.80 0.00 2.69 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 47 L 7.78 5.10 0.00 1.67 1.41 0.86 0.78 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 48 V 8.81 5.42 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 1.20 0.00 0.00 1.00 0.00 0.00 *50 V 8.18 4.14 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 0.94 0.00 0.00 0.60 0.00 0.00 51 S 8.27 5.06 0.00 3.70 3.75 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 52 D 8.26 4.45 0.00 2.42 2.34 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 53 K 8.79 4.13 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 54 N 8.57 4.91 0.00 2.82 2.82 0.00 0.00 6.88 8.14 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 55 A 8.09 4.14 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 56 L 7.91 4.01 0.00 1.70 1.75 0.95 0.85 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 57 S 8.09 4.17 0.00 4.08 4.15 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 58 F 8.00 4.17 0.00 3.12 3.23 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 0.00 59 V 8.01 3.43 2.28 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 1.05 0.00 0.00 1.07 0.00 0.00 60 S 7.83 4.03 0.00 3.91 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 0.00 61 R 8.00 3.89 0.00 1.94 1.90 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 62 I 7.57 3.64 1.44 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.78 0.00 0.00 63 K 8.20 3.79 0.00 1.90 1.84 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.58 7.81 64 E 7.78 4.08 0.00 2.13 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 2.52 2.37 0.00 65 K 7.96 4.08 0.00 1.74 1.67 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 1.34 7.81 66 H 8.61 5.02 0.00 3.30 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.25 4.36 0.00 3.98 4.13 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 68 S 7.94 4.39 0.00 4.02 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 69 I 7.52 4.18 1.95 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 1.26 0.68 0.97 0.00 0.00 70 V 8.52 4.04 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 1.06 0.00 0.00 1.03 0.00 0.00 71 V 9.23 4.85 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 0.85 0.00 0.00 0.92 0.00 0.00 72 L 8.90 5.14 0.00 1.50 1.53 0.87 1.03 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 73 V 8.53 4.49 2.16 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 1.08 0.00 0.00 0.98 0.00 0.00 74 S 8.96 5.00 0.00 3.97 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 75 S 8.46 4.73 0.00 3.74 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 76 D 8.90 4.69 0.00 2.73 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 77 N 7.47 4.93 0.00 2.58 2.72 0.00 0.00 7.17 7.57 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 78 P 0.00 5.18 0.00 2.35 2.05 0.00 3.35 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 79 T 8.28 4.77 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 1.29 0.00 0.00 80 S 8.60 4.01 0.00 3.90 3.89 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 81 E 8.09 3.77 0.00 2.02 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 2.19 2.30 0.00 82 E 8.19 3.92 0.00 2.11 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 2.35 2.36 0.00 83 E 7.77 2.54 0.00 1.40 1.83 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 2.40 2.07 0.00 84 V 7.70 3.64 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 1.05 0.00 0.00 0.95 0.00 0.00 85 H 8.04 4.23 0.00 3.35 3.28 0.00 5.70 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 86 A 8.05 3.95 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 87 F 8.05 4.32 0.00 3.25 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 88 E 8.47 4.09 0.00 2.14 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 0.00 2.39 2.58 0.00 89 Q 8.51 4.25 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.99 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 90 G 7.86 4.12 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 91 A 7.90 4.14 1.17 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 92 D 9.02 4.82 0.00 2.71 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 93 D 7.69 4.91 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 5.11 0.00 2.36 2.56 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 95 I 8.18 4.82 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 1.10 0.00 0.00 96 A 8.64 4.37 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 97 K 8.54 4.12 0.00 1.44 1.37 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.90 7.81 98 P 0.00 4.09 0.00 2.10 1.95 0.00 3.68 0.00 0.00 3.55 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 99 Y 7.66 4.35 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.89 4.04 0.00 1.81 2.00 0.00 3.31 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 101 S 7.49 4.68 0.00 4.05 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 0.00 102 I 7.84 3.60 1.86 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 1.65 0.80 0.88 0.00 0.00 103 K 8.04 3.97 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 104 A 8.19 3.97 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 0.00 105 L 8.03 3.76 0.00 1.49 1.68 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.16 3.43 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 0.95 0.00 0.00 107 A 8.17 4.23 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 0.00 108 R 7.97 3.82 0.00 1.91 2.11 0.00 3.11 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 109 I 7.57 3.58 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.54 0.00 0.00 110 E 8.54 4.23 0.00 2.18 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 0.00 2.69 2.66 0.00 111 A 8.16 4.07 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 0.00 112 R 8.21 4.13 0.00 1.92 2.01 0.00 3.36 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 113 L 7.25 4.63 0.00 1.84 1.79 0.95 0.85 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 0.00 114 R 7.80 4.12 0.00 1.94 1.83 0.00 3.31 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.