NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3265 8.0327 117.3726 63.7626 70.8716 175.6906 8 Q 3.6884 8.2792 122.1638 58.4041 28.9001 176.5864 9 Q 4.0070 8.8034 121.4011 59.0348 29.5780 177.3965 10 M 4.0707 7.8628 119.4253 58.0643 32.0905 178.1665 11 A 3.9761 8.6893 121.4487 55.1966 18.5898 179.7045 12 V 3.5239 7.9047 116.6966 66.1978 31.4791 178.0199 13 S 4.1049 8.0633 112.6489 61.6435 62.2629 176.1857 14 I 3.7273 8.3445 122.6173 64.5277 36.7865 178.4839 15 I 3.8873 8.0788 120.7456 64.5834 36.9383 178.3186 16 N 4.4111 8.3811 117.3276 56.3867 38.3920 177.7366 17 S 4.1602 8.5074 116.9854 61.4447 62.8329 176.7188 18 S 4.0939 8.0906 116.1112 61.2257 62.1835 175.9662 19 F 3.3849 7.5253 122.9425 61.0702 38.9854 176.8466 20 E 3.5479 8.1530 117.9461 59.2884 29.1596 179.3305 21 A 3.8939 7.8437 120.5500 54.9737 18.4531 179.5626 22 A 3.8624 7.8245 119.3932 55.0839 18.3191 180.1399 23 V 3.2572 7.3098 116.7303 66.1386 31.5542 178.5781 24 V 3.5592 7.8349 117.7753 65.6434 31.2647 177.9542 25 A 3.9006 8.1442 120.6952 54.8857 18.2062 179.4917 26 A 3.7911 7.8821 119.2295 55.5474 18.4366 179.6425 27 T 3.1206 7.9549 112.1661 65.2574 67.4531 176.3448 28 S 4.2530 8.3330 115.7093 60.9362 63.2377 176.2915 29 A 4.0041 7.8865 124.9363 54.7911 18.1281 179.5396 30 L 3.9860 7.9751 117.6359 57.9491 41.6792 179.1909 31 E 4.0679 8.0750 118.9179 59.5471 29.4258 178.3835 32 N 4.3969 8.0739 114.9499 55.8403 38.9738 175.5447 33 M 4.5761 7.2659 117.2391 54.3484 32.4969 175.8504 34 G 3.9057 8.1691 106.9913 46.5823 0.0000 173.6460 35 I 4.3837 7.8166 122.8591 59.4512 38.6514 176.7577 36 E 4.2104 8.7589 121.5781 56.1987 30.3515 172.2646 37 Y 4.6792 7.3836 114.5629 55.8512 40.1466 173.1726 38 D 4.8447 8.3035 120.6153 52.6886 43.3344 175.9098 39 Y 4.4668 8.9091 128.1181 61.4783 38.6855 178.3160 40 Q 3.8677 8.3788 117.9441 59.0316 28.8584 178.1964 41 D 4.3453 8.8626 119.1898 57.7539 41.3179 178.5098 42 I 3.6913 7.9107 120.0659 64.3558 37.0677 177.8953 43 Y 3.7425 8.1664 120.9079 60.5500 38.5803 178.1274 44 S 4.1502 8.4034 114.1802 61.4150 62.6642 176.1589 45 R 3.9057 8.0118 120.7174 59.5206 29.8508 179.2939 46 V 3.6659 7.7672 117.7996 65.8244 31.3669 177.9749 47 K 4.0436 8.1293 119.5661 59.3189 31.9043 178.7302 48 N 4.3519 8.2980 116.9441 56.1001 38.5205 177.3254 49 K 4.0091 8.0063 120.7722 59.4316 32.3169 178.6106 50 F 3.9709 8.7311 121.2597 61.5470 39.5184 176.8112 51 D 4.4284 8.4796 118.6863 57.2903 40.5569 178.7224 52 F 4.0478 8.6317 121.5646 61.1120 39.4490 177.4733 53 V 3.4546 8.4157 120.7464 66.9584 31.3859 178.6247 54 M 3.8675 7.9974 120.4612 59.2990 31.0020 179.8369 55 D 4.3336 7.7241 118.1758 57.4001 41.3628 178.0140 56 D 4.0738 7.8756 117.5111 56.9792 41.1204 177.9060 57 S 4.1952 7.7256 113.8532 59.1035 63.4468 175.5299 58 G 3.8694 7.7618 110.1444 45.8544 0.0000 175.5329 59 V 3.5006 7.6577 119.8343 65.5373 31.4879 177.7170 60 K 3.8668 8.0708 119.6135 59.6939 32.0542 178.5919 61 N 4.3568 7.7122 116.0480 55.9270 38.2392 176.9504 62 N 4.1826 7.7240 118.7922 56.3822 39.1385 175.2897 63 P 4.2336 0.0000 0.0000 65.5542 31.5513 178.7960 64 I 3.9272 7.7579 118.4599 64.0816 36.9820 178.8195 65 G 3.5122 8.1018 106.7873 47.7441 0.0000 176.0527 66 K 3.9793 8.2556 121.2735 58.9748 32.0573 179.3246 67 A 4.0099 8.5069 121.4433 55.2966 18.3248 179.7902 68 I 3.6938 7.7978 118.5739 64.5397 37.1076 178.6733 69 T 4.1486 7.7092 110.1865 64.2748 68.7105 177.1127 70 I 3.6065 7.5963 122.4976 64.4275 36.9586 177.6595 71 D 4.3495 7.7846 118.1594 57.6944 40.9361 178.9636 72 Q 4.0290 7.9223 117.6964 59.0629 28.5846 178.9373 73 A 3.3619 7.6357 119.8296 54.6277 18.3041 179.1937 74 L 4.0600 7.5964 116.6620 56.6474 41.7384 177.6697 75 N 4.7186 7.8409 116.1268 52.9839 39.1885 174.2545 76 N 4.4023 7.8599 112.8165 53.9187 35.6073 175.1568 77 K 4.5341 7.1986 118.8592 54.7289 31.9031 176.6215 78 F 4.3041 8.6011 118.9467 57.7246 39.2938 176.4866 79 G 4.2013 7.6333 106.9968 48.3207 0.0000 175.7659 80 S 4.0639 8.0492 115.3536 60.7327 62.5440 175.8844 81 A 4.0835 7.9868 123.0329 55.2068 18.1729 179.5257 82 I 3.7507 8.8475 119.5389 64.5355 37.1866 178.6406 83 R 3.9722 8.2328 119.8210 59.2994 29.9271 178.1001 84 N 4.3999 8.5578 117.5051 56.6803 38.9796 176.9179 85 R 3.9879 8.1685 120.2032 59.5276 30.2502 178.2705 86 N 4.4107 8.3749 116.4390 55.8177 38.2726 177.1915 87 W 4.3425 8.2168 128.9551 60.7611 31.0109 177.9329 88 L 3.7770 8.0091 116.9331 57.2174 41.0920 178.7303 89 A 4.2199 7.6860 119.0881 52.2598 19.4759 177.3717 90 D 4.3424 7.3706 117.8797 54.9099 41.4530 178.2984 91 T 3.8375 8.5760 113.1768 64.3648 68.9198 175.0188 92 S 4.5576 7.7897 115.8509 58.2032 63.6061 175.4539 93 R 3.5725 7.7974 122.5285 59.2374 29.6422 176.7122 94 P 4.0929 0.0000 0.0000 65.3786 31.2998 178.5475 95 A 3.9396 7.7785 119.1348 55.0101 18.4409 179.6933 96 K 3.9077 8.1957 117.2583 59.7072 32.0830 179.7243 97 L 4.0506 8.1055 119.4882 57.7094 41.4042 179.2515 98 D 4.2847 8.2197 119.0156 57.5045 40.8375 178.7425 99 E 3.9701 8.2576 119.0379 59.2172 29.4079 178.8554 100 D 4.2471 8.0867 118.1118 57.4723 41.3959 178.3478 101 V 3.6735 8.6708 122.0183 66.7819 31.5760 178.4177 102 N 4.3715 8.5547 119.3814 57.3224 37.2218 179.3815 103 K 4.1490 7.7204 119.8184 59.4827 32.4282 179.1982 104 L 4.1467 7.7716 118.6727 57.8420 41.3855 179.8264 105 R 4.0025 8.0828 118.1195 59.1659 29.7683 178.5449 106 M 4.1119 7.8010 116.7256 58.2402 32.2737 177.7236 107 M 4.2439 7.5800 117.8580 57.4437 33.1264 177.5735 108 L 4.2524 7.3360 121.2351 54.3941 40.5510 176.4742 *112 G 3.7474 7.6938 111.7726 47.4593 0.0000 174.6631 113 I 3.4417 8.5124 116.8965 60.7559 34.3522 172.0977 114 D 4.4686 7.9296 121.2272 59.1012 40.7332 179.1587 115 Q 4.0851 8.1628 122.9251 60.8815 28.2209 180.9322 116 K 4.1359 8.1458 125.6004 60.2170 31.5207 180.6553 117 M 4.3550 8.4362 120.2165 57.8353 31.6019 178.8105 118 R 4.0554 7.8590 118.2926 59.4726 30.0844 178.4661 119 V 3.7420 7.6837 117.6642 66.0803 31.5434 178.0195 120 L 4.2598 8.0462 118.7350 57.9938 41.2936 179.2491 121 N 4.3838 9.0254 116.2540 55.8977 38.4820 176.6597 122 A 4.2250 7.5942 120.1794 53.5793 18.9534 177.6504 123 C 4.2087 7.7459 112.6788 59.6675 29.9325 173.5890 124 F 5.3029 7.9778 116.5473 55.5577 42.7626 174.3434 125 S 4.7571 8.9817 115.1647 56.5724 65.5281 172.6619 126 V 4.7598 8.6514 129.0115 62.0485 32.8682 175.2279 127 K 4.8643 9.4625 130.5528 53.4360 36.7118 171.2716 128 R 4.8484 8.1718 116.5606 56.2569 33.1803 174.4826 129 I 4.0065 8.4278 127.0342 59.8942 37.9565 173.4501 130 P 4.1785 0.0000 0.0000 64.3820 31.6213 175.3443 131 G 4.1641 8.9458 111.0848 45.5132 0.0000 174.2486 132 K 4.1857 7.7786 118.1933 56.1436 32.6103 177.0899 133 S 4.3813 8.3424 115.7322 59.3254 64.0111 174.5506 134 S 4.4647 7.6935 115.2520 57.3771 64.4412 171.9495 135 S 4.9950 8.2037 114.0009 56.7048 66.3471 173.1611 136 I 4.6422 8.7878 119.9347 59.5667 40.5301 174.8036 137 I 4.8659 8.6100 129.4836 60.1489 39.1650 175.7113 138 K 4.8844 9.1528 130.4089 53.9106 35.3211 172.5608 139 C 4.9151 8.3374 117.1067 57.4399 32.3503 173.0568 140 T 4.4266 8.4829 110.3879 61.1420 70.2007 176.2382 141 K 3.9171 8.8117 130.2000 60.6878 31.5187 180.7812 142 L 4.1916 7.8239 122.1349 59.7102 40.8587 181.7369 143 M 4.2703 8.2084 121.9715 59.0192 32.2434 178.8799 144 R 4.1217 8.7964 123.7155 62.5395 29.3444 180.9850 145 D 4.8102 8.4850 123.4950 58.5541 39.8208 180.9597 146 K 4.4533 8.0138 126.2354 60.3890 32.1597 182.5389 147 L 4.5116 8.9266 126.8675 59.6129 41.0937 181.3643 148 E 5.0641 8.6619 122.0645 58.0050 29.6294 179.6979 149 R 4.9530 7.5416 117.2362 56.2309 36.9564 178.0613 150 G 3.7536 7.5212 105.2556 45.6779 0.0000 172.7711 151 E 4.1031 8.3146 117.1822 56.5103 30.2051 172.9329 152 V 4.4681 7.9119 117.6287 61.8622 34.5141 174.1864 153 E 4.3796 8.8080 126.9442 55.3191 30.3778 175.6696 154 V 4.3088 8.3254 125.7323 61.5576 33.9695 175.0956 155 D 4.7547 8.3469 125.3090 52.2722 40.8001 175.3361 156 D 4.5784 8.7723 123.7141 56.1890 40.4951 179.5073 157 S 4.1961 8.0161 116.6305 61.9135 63.6595 176.5809 *158 F 4.1404 7.8846 124.2490 61.4212 37.7853 178.8985 159 V 3.7448 7.8460 118.7795 66.3186 31.1896 177.6102 160 D 4.5718 7.9988 120.7173 58.0870 40.4432 179.2759 161 E 4.2197 8.0492 117.4555 59.5989 29.7867 180.0093 162 K 4.6759 8.1796 119.4840 57.5128 33.2193 176.7737 163 M 3.4942 8.0370 122.5430 55.0587 31.8498 178.8564 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 7 T 8.03 4.33 4.47 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 1.23 0.00 0.00 8 Q 8.28 3.69 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 9 Q 8.80 4.01 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 10 M 7.86 4.07 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 11 A 8.69 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.52 2.26 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 1.00 0.00 0.00 1.03 0.00 0.00 13 S 8.06 4.10 0.00 4.05 4.01 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 14 I 8.34 3.73 2.05 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 1.54 0.83 0.95 0.00 0.00 15 I 8.08 3.89 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 1.14 0.00 0.00 16 N 8.38 4.41 0.00 2.97 2.91 0.00 0.00 7.04 6.84 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 17 S 8.51 4.16 0.00 4.02 3.92 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 18 S 8.09 4.09 0.00 4.06 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 0.00 19 F 7.53 3.38 0.00 1.74 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 20 E 8.15 3.55 0.00 2.19 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 2.35 2.51 0.00 21 A 7.84 3.89 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 22 A 7.82 3.86 1.31 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 0.00 0.00 0.00 23 V 7.31 3.26 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 1.02 0.00 0.00 -0.10 0.00 0.00 24 V 7.83 3.56 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 1.02 0.00 0.00 0.94 0.00 0.00 25 A 8.14 3.90 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 26 A 7.88 3.79 1.21 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 0.00 0.00 0.00 0.00 0.00 27 T 7.95 3.12 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 1.27 0.00 0.00 28 S 8.33 4.25 0.00 4.09 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 29 A 7.89 4.00 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 30 L 7.98 3.99 0.00 1.67 2.05 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.08 4.07 0.00 2.29 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 0.00 2.37 2.40 0.00 32 N 8.07 4.40 0.00 2.89 2.85 0.00 0.00 7.19 7.64 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 33 M 7.27 4.58 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 34 G 8.17 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 35 I 7.82 4.38 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.98 0.00 0.00 36 E 8.76 4.21 0.00 1.99 1.74 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 2.23 1.87 0.00 37 Y 7.38 4.68 0.00 2.99 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 38 D 8.30 4.84 0.00 2.76 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 39 Y 8.91 4.47 0.00 3.22 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 40 Q 8.38 3.87 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 41 D 8.86 4.35 0.00 2.80 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 42 I 7.91 3.69 1.77 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.73 0.00 0.00 43 Y 8.17 3.74 0.00 2.34 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 44 S 8.40 4.15 0.00 4.09 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 45 R 8.01 3.91 0.00 2.02 1.96 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 46 V 7.77 3.67 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 0.96 0.00 0.00 0.90 0.00 0.00 47 K 8.13 4.04 0.00 2.04 1.83 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.33 1.31 7.81 48 N 8.30 4.35 0.00 2.93 2.85 0.00 0.00 6.62 7.17 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 49 K 8.01 4.01 0.00 1.95 2.04 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.57 7.81 50 F 8.73 3.97 0.00 3.44 3.11 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 51 D 8.48 4.43 0.00 2.89 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 52 F 8.63 4.05 0.00 3.20 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 53 V 8.42 3.45 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 0.78 0.00 0.00 1.04 0.00 0.00 54 M 8.00 3.87 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 55 D 7.72 4.33 0.00 2.74 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 56 D 7.88 4.07 0.00 1.58 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 0.00 0.00 0.00 57 S 7.73 4.20 0.00 3.99 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 58 G 7.76 3.87 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 0.00 0.00 0.00 59 V 7.66 3.50 1.98 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 0.93 0.00 0.00 0.88 0.00 0.00 60 K 8.07 3.87 0.00 1.88 1.72 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 61 N 7.71 4.36 0.00 3.01 3.01 0.00 0.00 6.70 6.80 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 62 N 7.72 4.18 0.00 2.65 2.92 0.00 0.00 7.11 7.77 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 63 P 0.00 4.23 0.00 2.19 2.08 0.00 3.77 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 2.10 2.16 0.00 64 I 7.76 3.93 1.94 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 1.45 0.58 0.89 0.00 0.00 65 G 8.10 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.26 3.98 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.56 7.81 67 A 8.51 4.01 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 68 I 7.80 3.69 2.02 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 1.55 1.09 0.87 0.00 0.00 69 T 7.71 4.15 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 1.18 0.00 0.00 70 I 7.60 3.61 2.01 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 1.51 0.69 0.88 0.00 0.00 71 D 7.78 4.35 0.00 2.75 2.71 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 72 Q 7.92 4.03 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 73 A 7.64 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.60 4.06 0.00 1.77 1.68 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.84 4.72 0.00 2.61 2.81 0.00 0.00 7.25 7.38 0.00 0.00 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 N 7.86 4.40 0.00 2.96 3.05 0.00 0.00 6.90 7.61 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 77 K 7.20 4.53 0.00 1.69 1.68 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.52 7.81 78 F 8.60 4.30 0.00 3.11 3.12 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 79 G 7.63 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 0.00 0.00 0.00 80 S 8.05 4.06 0.00 3.87 3.84 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 81 A 7.99 4.08 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 82 I 8.85 3.75 2.18 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 1.46 0.97 0.95 0.00 0.00 83 R 8.23 3.97 0.00 1.96 2.13 0.00 3.07 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 N 8.56 4.40 0.00 2.86 3.05 0.00 0.00 6.81 7.23 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 85 R 8.17 3.99 0.00 2.00 2.10 0.00 3.18 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 1.66 1.71 0.00 86 N 8.37 4.41 0.00 2.88 2.92 0.00 0.00 6.66 7.43 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 87 W 8.22 4.34 0.00 3.33 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.78 0.00 1.75 1.71 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.69 4.22 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 90 D 7.37 4.34 0.00 2.76 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 91 T 8.58 3.84 4.21 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 0.00 0.00 1.19 0.00 0.00 92 S 7.79 4.56 0.00 3.85 3.86 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 93 R 7.80 3.57 0.00 1.74 1.66 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.15 0.00 94 P 0.00 4.09 0.00 2.12 2.01 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 95 A 7.78 3.94 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 96 K 8.20 3.91 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.60 7.81 97 L 8.11 4.05 0.00 1.59 1.69 0.66 1.49 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 98 D 8.22 4.28 0.00 2.96 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 99 E 8.26 3.97 0.00 2.16 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 2.31 2.61 0.00 100 D 8.09 4.25 0.00 2.89 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 0.00 101 V 8.67 3.67 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 0.97 0.00 0.00 102 N 8.55 4.37 0.00 2.75 2.81 0.00 0.00 7.04 6.34 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 0.00 103 K 7.72 4.15 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.62 7.81 104 L 7.77 4.15 0.00 1.82 1.71 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.08 4.00 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 106 M 7.80 4.11 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 107 M 7.58 4.24 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 108 L 7.34 4.25 0.00 1.75 1.68 0.92 0.86 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 *112 G 7.69 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 0.00 0.00 0.00 113 I 8.51 3.44 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 1.41 0.58 0.91 0.00 0.00 114 D 7.93 4.47 0.00 2.72 2.75 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 0.00 115 Q 8.16 4.09 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 116 K 8.15 4.14 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.12 7.81 117 M 8.44 4.36 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 118 R 7.86 4.06 0.00 1.94 2.17 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 119 V 7.68 3.74 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 1.01 0.00 0.00 1.00 0.00 0.00 120 L 8.05 4.26 0.00 1.84 1.88 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 121 N 9.03 4.38 0.00 2.68 2.91 0.00 0.00 7.02 7.23 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 0.00 122 A 7.59 4.23 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 0.00 123 C 7.75 4.21 0.00 1.90 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 0.00 0.00 0.00 124 F 7.98 5.30 0.00 2.89 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 0.00 125 S 8.98 4.76 0.00 3.90 3.69 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 0.00 126 V 8.65 4.76 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 0.81 0.00 0.00 0.95 0.00 0.00 127 K 9.46 4.86 0.00 1.39 1.63 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.21 7.81 128 R 8.17 4.85 0.00 1.72 1.73 0.00 3.15 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 129 I 8.43 4.01 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 1.40 0.46 0.89 0.00 0.00 130 P 0.00 4.18 0.00 2.01 2.02 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 131 G 8.95 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.78 4.19 0.00 1.90 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.33 7.81 133 S 8.34 4.38 0.00 3.91 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 0.00 134 S 7.69 4.46 0.00 3.98 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 0.00 135 S 8.20 5.00 0.00 3.92 3.84 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 0.00 136 I 8.79 4.64 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 1.21 1.20 0.91 0.00 0.00 137 I 8.61 4.87 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.89 0.00 0.00 138 K 9.15 4.88 0.00 1.37 1.62 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.21 7.81 139 C 8.34 4.92 0.00 2.94 3.20 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 0.00 140 T 8.48 4.43 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 1.17 0.00 0.00 141 K 8.81 3.92 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.09 7.81 142 L 7.82 4.19 0.00 1.64 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 M 8.21 4.27 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.46 0.00 144 R 8.80 4.12 0.00 1.81 1.94 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 145 D 8.48 4.81 0.00 2.73 2.62 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 0.00 146 K 8.01 4.45 0.00 1.87 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 147 L 8.93 4.51 0.00 1.61 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.66 5.06 0.00 2.02 1.85 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 2.26 2.19 0.00 149 R 7.54 4.95 0.00 1.77 1.79 0.00 3.30 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 150 G 7.52 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 0.00 0.00 0.00 151 E 8.31 4.10 0.00 2.00 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 0.00 2.24 1.90 0.00 152 V 7.91 4.47 2.14 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 0.99 0.00 0.00 1.04 0.00 0.00 153 E 8.81 4.38 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 2.28 2.29 0.00 154 V 8.33 4.31 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 0.93 0.00 0.00 155 D 8.35 4.75 0.00 2.64 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 0.00 156 D 8.77 4.58 0.00 2.67 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 0.00 157 S 8.02 4.20 0.00 4.01 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 *158 F 7.88 4.14 0.00 2.35 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 0.00 159 V 7.85 3.74 2.07 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 0.89 0.00 0.00 0.97 0.00 0.00 160 D 8.00 4.57 0.00 2.85 2.71 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 0.00 161 E 8.05 4.22 0.00 2.08 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 2.26 2.23 0.00 162 K 8.18 4.68 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.46 7.81 163 M 8.04 3.49 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.