NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4391 8.1576 122.0602 56.0730 33.3786 174.1681 3 P 5.8500 0.0000 0.0000 59.9471 33.8961 172.9326 4 A 5.1116 8.6593 121.8581 50.1782 23.3596 175.7298 5 L 4.3764 8.4674 122.4454 53.3351 44.0674 175.3660 6 V 4.4720 8.4013 126.6568 61.0805 34.0117 174.3254 7 V 4.0943 8.5469 129.3580 61.2409 33.1417 174.5534 8 V 4.1251 8.8370 130.1449 62.0181 32.6378 171.7325 9 D 4.0601 8.3464 133.7236 53.9460 41.4839 174.0104 *11 V 4.0986 7.8721 115.2594 60.9002 32.3818 176.1369 12 N 4.3374 8.7685 118.9530 56.7022 38.6643 177.3199 13 E 4.2646 8.2480 117.7577 59.2470 29.7029 177.8670 14 F 4.2169 8.4143 115.3768 58.3961 39.1041 176.1606 15 I 4.2545 7.2694 118.8445 62.5456 39.2679 176.2931 16 H 4.6155 7.9316 117.6712 58.1309 30.2958 177.4052 17 G 3.9090 9.3626 112.7672 45.9809 0.0000 174.9514 18 R 3.8564 8.8978 120.1263 59.9755 29.6313 174.5663 19 L 4.3486 7.2645 115.1094 53.5000 40.7240 178.1436 20 A 4.3598 7.2372 124.5337 53.3280 18.7732 179.4883 21 T 4.1409 8.2843 115.3404 60.0206 69.4871 170.5745 22 P 4.2375 0.0000 0.0000 66.7901 31.4358 178.4407 23 E 4.3076 8.0811 109.9684 56.3347 29.4260 179.9056 24 A 4.1994 7.6860 125.6277 53.5403 17.3818 180.4862 *26 K 4.3503 8.0817 122.2765 55.8582 34.1461 179.8335 27 T 4.6059 7.4232 107.6289 63.4482 68.9377 177.0039 28 V 3.6688 7.6865 121.9363 65.8587 31.6837 177.9306 29 G 3.5635 7.9569 105.0422 47.3806 0.0000 173.7543 30 P 4.2555 0.0000 0.0000 65.0124 31.3727 178.4944 31 A 3.8988 8.2329 119.7821 55.2616 18.2785 179.5104 32 R 3.8930 7.9996 117.1753 59.4985 30.1171 178.6227 33 K 3.9250 7.9479 119.2912 59.4471 32.3684 179.0630 34 V 3.6450 8.0092 118.6587 66.0358 31.4956 177.9272 35 I 3.6372 8.1568 119.9050 64.4712 36.9351 178.1201 36 E 4.0237 8.4223 119.6671 59.7951 29.3540 179.6416 37 T 3.9318 7.9396 109.5146 64.8068 68.6002 176.5191 38 F 3.8021 8.3587 120.2770 60.1982 38.8964 177.7265 39 R 4.0218 8.3884 120.0855 60.1869 29.7719 180.0545 40 R 3.9805 8.2521 118.9479 60.6229 29.3177 179.5260 41 S 4.7908 7.5335 108.6965 57.8828 62.6671 174.8809 42 G 3.9655 8.2264 108.0646 45.8851 0.0000 174.1757 43 L 4.4506 7.3309 119.2383 53.5235 42.8095 175.2825 44 P 4.5933 0.0000 0.0000 62.7974 32.9185 175.4043 45 V 4.6420 8.5983 123.0909 61.0346 34.6280 174.0628 46 V 4.9286 8.7706 127.9532 61.3880 34.3640 173.6131 47 Y 4.8139 9.5537 126.6404 57.0600 39.8204 175.0066 48 V 4.6778 8.4881 117.4933 59.7136 34.7047 174.3856 49 N 5.3610 8.7893 123.3935 50.9254 41.7660 173.9231 50 D 4.4865 9.0748 123.6802 54.9581 41.2766 177.9517 51 S 4.6246 8.1432 117.2105 57.2759 62.0159 172.9561 52 H 4.5891 8.7447 119.2617 55.6523 30.0176 175.3601 53 Y 4.9225 8.2750 119.8866 56.1155 39.2827 175.2878 54 P 4.3608 0.0000 0.0000 65.1269 31.5036 177.0858 55 D 4.9232 8.0199 114.6339 52.6851 40.0061 175.9247 56 D 4.5946 8.1623 120.4758 54.4719 41.3954 175.9935 57 P 4.2781 0.0000 0.0000 65.5321 31.5757 177.7873 58 E 4.3655 8.0034 114.4227 57.0738 30.0035 178.2930 59 I 3.7980 7.8125 122.5434 64.6022 36.9953 178.0958 60 R 4.0698 8.0687 115.3704 59.2311 28.9668 178.4069 61 I 3.7673 7.4774 119.0171 63.0661 37.6671 177.1094 62 W 4.7004 8.2134 116.3537 55.2750 30.4343 177.1016 63 G 3.9265 8.8097 110.6448 44.7721 0.0000 173.8871 64 R 4.1703 8.3780 117.3581 56.4256 29.8029 172.1292 65 H 4.6319 8.7995 115.9065 54.6098 30.9496 173.0051 66 S 3.2227 8.7555 112.7222 59.0753 61.7494 171.0192 *68 K 3.9979 7.8782 126.4250 57.5754 32.8199 174.5178 69 G 4.1077 9.1031 113.8227 45.3933 0.0000 173.1483 70 D 4.6535 7.7818 120.4922 53.7469 42.4461 177.3886 71 D 4.7049 8.6267 122.8954 55.4578 40.4338 179.1755 72 G 3.7727 8.2644 106.7007 48.9521 0.0000 175.0357 73 S 4.5987 7.8694 111.7793 57.4449 63.6578 173.5159 74 E 4.3455 7.8145 123.2872 54.7589 30.4644 175.6427 75 V 3.9444 8.0795 125.4392 62.4751 32.3441 175.8231 76 I 4.0860 8.1646 119.8451 60.8344 38.3480 176.8210 77 D 4.3797 8.7477 122.3780 57.4470 41.0900 178.3974 78 E 4.0271 8.4303 118.0716 58.8633 29.5389 177.7871 79 I 4.6065 7.3835 113.2244 60.1271 37.9823 176.5750 80 R 3.7502 7.7196 118.2749 57.3092 29.7240 177.0588 81 P 4.4960 0.0000 0.0000 61.8123 32.1192 176.3872 82 S 4.5331 8.9005 117.7445 56.8661 64.4354 173.6567 83 A 4.3795 8.2726 124.5452 52.3229 18.8139 178.5787 84 G 3.8282 8.0381 111.1940 43.9112 0.0000 172.8518 85 D 4.5840 8.2671 122.8032 54.7830 42.3773 175.7169 86 Y 4.4441 9.2696 119.7282 57.2266 39.7756 174.7852 87 V 4.8155 8.4923 123.0063 61.2379 34.0082 174.3478 88 L 4.8514 9.3912 128.4524 52.9451 44.7202 175.4456 89 E 4.9400 8.7140 122.6573 55.2401 30.8107 175.6938 90 K 4.7258 8.7648 122.6577 55.4517 36.1918 176.3042 91 H 4.5934 8.9605 115.3434 55.3954 30.1227 172.8622 92 A 4.8070 7.5530 121.0826 50.5683 22.4760 175.8467 93 Y 4.4729 8.3474 115.7413 61.4857 37.9590 177.7094 94 S 4.3752 8.2007 114.7721 57.8977 63.0128 174.9781 95 G 3.6044 8.6116 116.6087 47.6730 0.0000 174.4386 96 F 4.3236 8.3712 118.9074 59.2846 39.5677 175.1759 97 Y 4.1812 7.8759 122.5860 58.3331 38.5517 175.3694 98 G 3.6286 8.2926 114.9844 45.9342 0.0000 172.0220 99 T 4.6531 7.4378 109.0811 59.6452 71.4524 173.1559 100 N 4.8861 8.2908 115.7758 52.5707 38.0331 176.1181 101 L 3.8476 7.8546 123.0902 59.1557 42.2886 180.4719 102 D 4.8601 8.0087 117.3047 54.3893 40.8742 177.9521 *104 I 3.8785 7.9953 119.0282 60.8683 39.1671 178.1920 105 L 3.9753 7.9104 119.9645 57.9119 41.9113 179.9428 106 R 3.9680 8.7913 117.9378 59.1371 30.1739 178.9779 107 A 4.0467 8.0182 119.4634 54.6755 18.5370 177.5529 108 N 4.7535 8.0745 111.5430 52.7606 38.5755 175.3436 109 G 4.0151 8.1089 105.0670 46.4340 0.0000 174.6378 110 I 4.1967 7.9949 120.4156 61.2634 37.6219 175.7232 111 D 5.1459 9.1332 121.4967 53.3070 41.4586 175.2775 112 T 5.2398 7.9443 116.0542 62.4263 73.3659 172.7657 113 V 4.7849 9.1431 119.6654 59.5628 34.5644 174.7534 114 V 4.6791 8.8048 125.6226 61.2884 33.6034 174.1705 115 L 5.1095 9.1775 128.8588 52.9467 43.9820 175.7078 116 I 4.6477 8.5359 116.5706 59.3549 41.6582 173.2405 117 G 3.8020 8.2658 106.8040 44.1637 0.0000 172.9116 118 L 4.9235 8.3547 120.9028 52.9487 45.6563 175.7146 119 D 4.7729 8.0930 120.7512 52.5453 41.8572 177.3496 120 A 3.7902 9.2453 126.9457 55.0650 18.1712 179.0665 121 D 4.5067 7.7203 111.0172 53.0225 41.4877 176.1151 122 I 4.1887 7.4728 117.8698 61.7781 38.4947 177.1437 123 C 4.2117 9.0530 124.7976 63.5063 28.8104 175.0760 124 V 3.5471 7.7981 119.7398 66.0236 31.2293 178.1073 125 R 4.0269 7.6135 118.8697 59.8300 29.7321 178.2289 126 H 4.2257 8.7589 116.4140 58.8461 28.7961 177.9234 127 T 4.0584 8.3252 117.8598 66.4459 68.1447 176.5651 128 A 3.8750 8.0273 122.5510 54.8621 18.3777 179.3164 129 A 3.2431 7.0505 118.9408 55.4320 17.9528 179.7758 130 D 3.7021 7.4106 116.5209 56.6721 40.7316 179.0085 131 A 3.9503 7.4526 121.5599 54.8034 18.3620 179.2358 132 L 3.9392 7.9353 119.1193 58.8106 41.9945 178.6094 133 Y 4.4278 7.6148 115.0606 60.9855 37.8017 178.2258 134 R 4.3908 7.2462 114.8350 55.1882 30.4435 175.7946 135 N 4.2282 7.9853 115.6588 54.7458 37.8167 173.3519 136 Y 4.7297 7.7235 113.1953 56.7067 39.2031 176.0718 137 R 4.4059 8.9814 122.1650 56.2724 32.0631 175.5289 138 I 5.1357 8.3202 120.8751 59.7169 41.1969 174.4831 139 I 5.0731 8.7428 126.5451 59.4884 40.9948 174.3642 140 V 4.4794 8.4990 126.6664 61.0427 34.1790 174.7196 141 V 4.6685 8.1796 128.2709 61.3606 31.1489 175.9905 142 E 4.4565 9.3454 128.4492 59.0702 29.5250 178.1042 143 D 4.6116 8.1881 116.5623 53.8308 40.4476 176.6734 144 A 4.7649 8.3472 122.4192 51.6416 20.2454 176.1580 145 V 5.3349 7.9236 115.9830 60.9057 34.4947 174.5140 146 A 4.6771 8.1636 127.6231 49.9234 21.5281 175.8594 147 A 3.7617 8.2873 123.9675 51.7689 19.4590 175.9680 148 R 4.2881 9.0251 118.2995 58.1277 32.2072 177.1416 149 I 4.2531 9.1824 114.4525 60.7607 37.3553 177.5835 150 D 4.8499 8.2491 120.6764 52.1067 41.7663 174.3103 151 P 4.6856 0.0000 0.0000 64.9535 32.2095 176.0192 152 N 4.8222 8.8212 117.5323 53.2622 38.9713 177.3734 153 W 4.3378 8.4717 121.7852 60.2346 28.3146 178.0739 154 K 3.7125 6.7336 124.0908 59.5858 30.9168 180.2897 155 D 4.5131 7.9218 118.9813 57.1329 41.0920 177.6926 156 Y 3.7144 7.8396 119.5750 60.5856 38.8628 177.4321 157 F 4.4940 8.3367 119.0692 61.1809 38.8925 177.9992 158 T 4.2696 8.0764 112.5104 65.1837 68.4878 177.5452 159 R 3.8820 8.0201 122.8491 60.2298 29.5141 179.7833 160 V 3.8856 7.6084 117.2766 63.7183 32.2292 176.0996 161 Y 4.7471 7.5335 113.9321 56.8089 38.2617 176.0389 162 G 4.2664 8.3108 106.4735 45.4968 0.0000 173.6866 163 A 4.5650 7.6545 120.1549 51.9831 19.8678 177.5031 164 T 4.6251 8.5827 110.7074 60.1678 71.3910 173.6012 165 V 4.8995 8.3149 123.8908 61.3324 33.4635 174.6393 166 K 4.9127 9.2570 126.1985 54.8412 36.7687 175.1535 167 R 5.0607 9.3386 120.4452 54.3993 32.3151 178.0056 168 S 4.0973 9.0961 116.8567 61.6242 62.8750 175.5726 169 D 4.5180 8.0320 117.7864 54.3712 39.5738 175.8192 170 E 4.4982 7.9464 120.4174 55.4731 30.8462 176.1766 171 I 4.2043 7.9659 117.0484 61.2116 39.1897 174.4707 172 E 4.4044 8.9377 121.4839 55.6563 29.7056 173.1220 173 G 3.7198 7.8295 114.0490 46.6407 0.0000 174.2016 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 2 K 8.16 4.44 0.00 1.89 1.85 0.00 1.68 0.00 0.00 2.00 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.47 7.81 3 P 0.00 5.85 0.00 2.46 2.12 0.00 3.36 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 4 A 8.66 5.11 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 5 L 8.47 4.38 0.00 0.27 0.77 0.51 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.40 4.47 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 0.65 0.00 0.00 0.67 0.00 0.00 7 V 8.55 4.09 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 0.66 0.00 0.00 0.32 0.00 0.00 8 V 8.84 4.13 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 0.67 0.00 0.00 0.84 0.00 0.00 9 D 8.35 4.06 0.00 2.50 1.54 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 *11 V 7.87 4.10 2.35 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 0.90 0.00 0.00 1.11 0.00 0.00 12 N 8.77 4.34 0.00 2.92 2.93 0.00 0.00 7.00 7.28 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 13 E 8.25 4.26 0.00 2.07 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 2.22 2.00 0.00 14 F 8.41 4.22 0.00 3.24 3.02 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 15 I 7.27 4.25 1.72 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 1.51 0.79 0.66 0.00 0.00 16 H 7.93 4.62 0.00 3.14 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.36 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 18 R 8.90 3.86 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 19 L 7.26 4.35 0.00 1.70 1.56 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.24 4.36 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 21 T 8.28 4.14 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 22 P 0.00 4.24 0.00 2.04 2.14 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 23 E 8.08 4.31 0.00 1.99 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 2.23 1.87 0.00 24 A 7.69 4.20 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 *26 K 8.08 4.35 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 27 T 7.42 4.61 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 1.16 0.00 0.00 28 V 7.69 3.67 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 1.05 0.00 0.00 0.91 0.00 0.00 29 G 7.96 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 0.00 0.00 0.00 30 P 0.00 4.26 0.00 2.25 2.29 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 31 A 8.23 3.90 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 32 R 8.00 3.89 0.00 1.92 2.12 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 33 K 7.95 3.93 0.00 2.01 2.02 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 34 V 8.01 3.64 2.15 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 0.93 0.00 0.00 0.98 0.00 0.00 35 I 8.16 3.64 1.91 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 1.30 0.55 0.94 0.00 0.00 36 E 8.42 4.02 0.00 2.24 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 2.36 2.45 0.00 37 T 7.94 3.93 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 1.34 0.00 0.00 38 F 8.36 3.80 0.00 3.29 3.18 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 39 R 8.39 4.02 0.00 2.10 2.01 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 40 R 8.25 3.98 0.00 1.87 1.86 0.00 3.24 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 41 S 7.53 4.79 0.00 3.74 3.80 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 42 G 8.23 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 43 L 7.33 4.45 0.00 1.58 1.92 0.46 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.59 0.00 2.13 2.12 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 45 V 8.60 4.64 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 0.74 0.00 0.00 0.94 0.00 0.00 46 V 8.77 4.93 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 0.81 0.00 0.00 0.84 0.00 0.00 47 Y 9.55 4.81 0.00 2.79 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 V 8.49 4.68 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 0.67 0.00 0.00 0.78 0.00 0.00 49 N 8.79 5.36 0.00 2.54 2.61 0.00 0.00 6.57 7.68 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 50 D 9.07 4.49 0.00 2.52 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.62 0.00 3.71 3.40 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 52 H 8.74 4.59 0.00 3.12 3.16 0.00 5.70 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.41 3.70 0.00 2.53 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 0.00 0.00 0.00 0.00 131 A 7.45 3.95 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 0.00 132 L 7.94 3.94 0.00 1.81 1.84 1.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.61 4.43 0.00 3.02 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 0.00 134 R 7.25 4.39 0.00 1.99 1.96 0.00 2.76 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 135 N 7.99 4.23 0.00 2.74 2.71 0.00 0.00 7.07 7.15 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 0.00 136 Y 7.72 4.73 0.00 3.11 2.90 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 0.00 137 R 8.98 4.41 0.00 1.82 1.91 0.00 3.28 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 138 I 8.32 5.14 1.98 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 1.41 0.77 0.95 0.00 0.00 139 I 8.74 5.07 1.89 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 1.15 1.02 0.96 0.00 0.00 140 V 8.50 4.48 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 0.67 0.00 0.00 0.25 0.00 0.00 141 V 8.18 4.67 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 1.04 0.00 0.00 0.92 0.00 0.00 142 E 9.35 4.46 0.00 2.30 2.21 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 2.57 2.34 0.00 143 D 8.19 4.61 0.00 2.88 2.99 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 0.00 0.00 0.00 144 A 8.35 4.76 1.22 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 0.00 145 V 7.92 5.33 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 0.30 0.00 0.00 0.88 0.00 0.00 146 A 8.16 4.68 1.13 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 0.00 0.00 147 A 8.29 3.76 1.13 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 0.00 0.00 148 R 9.03 4.29 0.00 1.87 1.94 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 149 I 9.18 4.25 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 1.18 0.91 0.91 0.00 0.00 150 D 8.25 4.85 0.00 2.60 2.65 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 0.00 151 P 0.00 4.69 0.00 2.27 2.24 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 152 N 8.82 4.82 0.00 2.94 2.88 0.00 0.00 6.58 7.86 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 0.00 153 W 8.47 4.34 0.00 3.64 3.45 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 0.00 154 K 6.73 3.71 0.00 1.78 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.08 7.81 155 D 7.92 4.51 0.00 2.65 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 0.00 156 Y 7.84 3.71 0.00 3.10 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 0.00 157 F 8.34 4.49 0.00 3.50 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 0.00 158 T 8.08 4.27 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 1.31 0.00 0.00 159 R 8.02 3.88 0.00 1.93 1.88 0.00 3.25 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 160 V 7.61 3.89 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 0.00 0.00 0.30 0.00 0.00 -0.11 0.00 0.00 161 Y 7.53 4.75 0.00 3.42 2.97 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 0.00 162 G 8.31 4.27 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 0.00 163 A 7.65 4.56 1.54 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 0.00 0.00 164 T 8.58 4.63 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 0.00 165 V 8.31 4.90 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 0.82 0.00 0.00 0.93 0.00 0.00 166 K 9.26 4.91 0.00 1.64 1.66 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.55 7.81 167 R 9.34 5.06 0.00 1.86 1.83 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 168 S 9.10 4.10 0.00 4.00 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 0.00 169 D 8.03 4.52 0.00 2.80 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 0.00 170 E 7.95 4.50 0.00 2.07 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 2.30 2.24 0.00 171 I 7.97 4.20 1.83 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 0.19 0.92 0.00 0.00 172 E 8.94 4.40 0.00 2.01 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 2.20 1.87 0.00 173 G 7.83 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.