NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3770 8.3193 116.7939 58.5349 64.1783 172.5258 6 I 4.2188 7.8507 115.9292 57.3397 39.9039 173.4572 7 T 4.2725 8.8402 111.5718 61.3747 70.4251 175.5869 8 N 4.5875 8.4295 118.5352 53.6891 39.5946 174.9287 9 V 4.7318 7.2710 117.1002 59.7931 34.6129 174.4967 10 K 4.7982 8.0134 124.7734 54.8112 37.0312 174.8992 11 Y 4.9068 8.8422 119.1719 57.9240 39.0336 174.8708 12 L 4.7711 9.0059 124.7210 53.0132 45.2854 175.3694 13 D 4.7457 8.4914 125.6421 53.1700 42.0526 175.3772 14 P 4.4778 0.0000 0.0000 66.3696 31.2125 178.8967 15 T 4.0638 8.6613 117.4447 65.9726 68.2010 176.4311 16 E 3.6834 7.8206 120.5693 59.0076 29.2214 178.9818 17 L 2.9606 7.1689 118.7045 58.0643 42.2111 177.9817 18 H 4.1864 8.0283 117.0864 59.1403 29.9318 176.8257 19 R 4.0464 7.7640 120.3153 59.0774 29.8220 179.4928 20 W 4.9545 7.7168 118.1289 56.6277 28.6043 178.1560 *22 Q 4.2212 7.9969 119.1834 56.1558 29.9573 176.8501 23 E 3.9713 8.2851 115.7388 57.4317 29.6762 178.1525 24 G 3.9838 9.6191 106.4185 45.0835 0.0000 172.3105 25 H 4.6797 7.3682 112.8632 54.5992 30.7078 173.5729 26 T 2.4800 7.9614 111.2866 61.3117 69.1181 175.8913 27 T 3.9593 8.1845 119.0372 66.9704 68.9610 176.7632 28 T 4.0848 8.0162 109.6124 64.2219 69.1600 175.3552 29 L 4.4506 7.7466 118.1664 53.0405 42.5378 176.1442 30 R 4.2581 7.5031 115.6962 56.1842 27.7353 175.7148 31 E 4.6035 7.9899 116.3836 54.5449 32.0971 175.3995 32 P 4.9050 0.0000 0.0000 62.6774 33.2853 174.5984 33 F 5.4494 7.6847 113.7827 55.7266 41.3881 173.6709 34 Q 4.1363 9.1360 120.8950 54.6617 32.5081 173.6921 35 V 4.2401 8.2494 126.5690 62.4613 33.5197 174.7005 36 V 4.7171 8.6909 127.2925 61.1442 34.3407 173.6288 37 D 4.8675 9.4185 129.7756 53.4227 42.3207 176.6681 38 V 5.1812 8.5816 118.4286 60.5282 33.1366 176.2501 39 R 4.4516 8.5882 120.5008 56.3715 31.1698 174.9249 40 G 3.8738 8.1560 105.5935 46.2198 0.0000 175.6805 41 S 4.1934 8.9407 116.7957 60.4621 63.9439 175.5302 42 D 4.8146 7.9387 118.3822 53.2709 38.9013 177.0193 43 Y 4.2526 7.7842 120.5403 57.9095 36.8207 176.5523 *45 G 3.9619 7.7911 108.9851 44.6582 0.0000 169.8048 46 G 4.5878 5.8932 102.8878 43.9616 0.0000 172.3705 47 H 3.7219 8.2997 116.9366 53.7028 32.0360 172.6868 48 I 4.3600 8.0009 120.5731 60.2582 37.5779 175.9025 49 K 4.1602 8.5939 126.9664 58.0631 32.3788 176.7258 50 D 4.6922 9.1362 123.9630 54.4304 38.5649 174.2167 51 G 3.8987 7.7956 106.2076 46.1184 0.0000 173.0971 52 W 5.2921 9.0398 120.2231 55.1678 32.0386 175.0965 53 H 5.3806 8.9377 123.4402 55.0615 30.9236 173.6410 54 Y 4.5827 9.2629 124.0278 54.2622 40.4674 174.8510 55 A 4.4667 8.5419 127.4641 52.1866 19.4508 177.9082 56 Y 4.2155 9.2723 124.2439 60.7423 38.8750 178.7986 57 S 3.9182 8.1935 114.8200 61.5321 62.9179 176.4494 58 R 3.8632 7.8924 121.7092 58.8974 29.7354 178.0648 59 L 4.1610 8.1563 118.3005 57.8036 41.6696 179.2076 60 K 3.9626 7.6837 118.7449 59.5121 32.1924 178.7310 61 Q 4.3554 7.7058 116.8878 56.9946 29.3289 175.3622 62 D 4.7501 8.2276 120.0302 50.7487 42.0179 173.7997 63 P 4.3089 0.0000 0.0000 65.8672 30.9833 177.8315 64 E 4.1354 8.3751 118.6549 59.0990 29.3399 178.2062 65 Y 4.3018 8.2928 119.9458 60.4702 38.9038 177.3549 66 L 3.9724 7.9969 120.8600 58.2668 42.1974 178.9283 67 R 3.7868 8.4628 118.3902 59.0359 29.8599 178.5881 68 E 3.8521 8.2522 119.1508 59.1717 29.6138 178.3788 69 L 3.2959 7.5680 120.2765 57.9271 41.8940 178.8737 70 K 3.8932 7.9048 119.1510 59.9493 32.1781 178.4196 71 H 4.2850 8.2958 116.7173 58.9558 28.6391 178.0759 72 R 3.9136 8.3140 120.1993 59.1626 29.8592 179.0693 73 L 4.2140 8.4069 119.1258 58.0473 41.6722 179.7016 74 L 4.0755 8.3648 119.1699 57.7565 41.2807 179.4539 75 E 4.0298 8.2161 118.0549 59.1279 29.6846 178.9217 76 K 4.1486 8.2015 119.8193 59.4815 32.2968 178.7079 77 Q 3.9718 8.3862 119.7749 59.0699 28.7322 178.0888 78 A 4.1110 7.9002 120.9040 54.5082 18.4449 178.2602 79 D 4.8151 7.8286 115.4423 54.8280 41.4635 175.8349 80 G 4.1037 7.8862 107.5548 44.0661 0.0000 171.2297 81 R 4.3477 8.6313 118.9518 55.5203 31.6612 176.8983 82 G 3.7351 8.7140 113.4355 44.1598 0.0000 172.0621 83 A 4.4031 8.3785 119.6707 51.6283 19.5784 177.3403 84 L 4.3976 8.5690 123.0936 54.4448 43.8460 175.4889 85 N 5.3511 9.2053 124.7797 52.5800 39.7807 174.1544 86 V 4.5048 8.9900 125.7044 61.4109 33.6088 174.6550 87 I 4.9265 8.6289 129.9117 59.7437 38.8930 174.9568 88 F 5.0837 9.3562 127.4399 57.4797 40.4686 174.8302 89 H 4.9263 9.0192 116.5985 55.5603 31.8531 171.5497 90 C 4.8937 9.0394 110.2037 59.4997 30.3743 175.1323 *92 L 4.2905 8.0614 119.5721 52.5709 43.8128 177.7008 93 S 4.0853 8.2368 112.6576 59.6567 60.5347 173.0695 94 Q 4.4472 7.6751 121.1178 57.0618 29.3775 175.5553 95 Q 4.3746 7.5838 115.5648 57.2062 31.4509 177.2381 96 R 3.3909 7.9080 116.1982 58.7837 30.2220 179.3298 97 G 3.6163 7.9509 105.0025 47.4695 0.0000 173.8330 98 P 4.1232 0.0000 0.0000 65.2159 31.4633 178.6564 99 S 4.1199 7.8129 112.8305 61.2286 62.8928 176.3658 100 A 4.2834 7.9750 123.7673 54.8673 18.0125 179.8962 101 A 2.5999 7.0156 116.0435 52.7677 17.9922 179.1966 *103 L 4.1776 7.8393 121.9027 56.1952 43.9868 179.2883 104 L 3.7933 7.9344 119.7197 57.9566 42.1230 178.3913 105 L 3.9166 8.0725 120.6875 58.6073 41.7510 179.3530 106 R 4.0135 7.3383 115.6026 58.6533 30.0056 178.2967 107 S 4.4055 7.7736 111.9371 58.7006 62.6893 173.8787 108 L 4.4112 7.0833 122.1294 54.0282 42.0640 177.2847 109 D 4.7166 9.0561 124.7390 52.5328 41.9904 177.2721 110 T 3.8111 8.4176 114.8936 67.1533 68.1412 176.5632 111 A 4.0290 7.9445 120.4333 54.9826 18.7310 179.0608 112 E 4.0563 8.5897 117.2298 59.6082 29.5917 179.2802 113 L 3.9739 8.3500 120.9708 58.1331 41.8745 179.0883 114 S 4.2502 7.6791 113.1583 60.6897 63.1826 175.6373 115 R 4.4072 7.9539 120.5505 55.7068 30.1232 175.1140 116 C 5.4627 7.5257 115.8349 57.9745 32.6177 173.6402 117 R 4.5690 8.9597 119.9465 54.4829 32.9175 174.5399 118 L 5.1548 7.8512 123.9397 53.0478 44.1217 175.7475 119 W 5.3143 9.4121 121.8626 54.9584 33.9566 174.1888 120 V 4.8967 8.4647 121.7687 60.8711 34.2314 174.3359 121 L 4.6095 9.1112 130.8737 54.4679 42.9587 176.1935 122 R 4.4252 9.0379 128.5958 58.0156 30.5900 176.7993 123 G 3.9043 9.0580 113.7155 44.2050 0.0000 174.5679 124 G 4.3330 7.9131 108.5786 45.4470 0.0000 173.8902 125 F 4.2640 8.8936 119.3728 60.7756 39.1332 178.2784 126 S 4.2736 8.4482 112.9335 61.6635 61.7364 176.0627 127 R 3.7956 7.9978 121.1340 58.8357 29.8395 177.9443 128 W 3.8179 7.9133 128.0707 60.6385 30.7006 177.4511 129 Q 3.2081 7.4523 119.7737 59.0862 27.9365 178.7936 130 S 3.9091 7.1925 113.9934 60.4116 62.9744 175.5830 131 V 3.6996 6.4013 119.7004 63.1880 32.6988 176.1475 132 Y 4.5617 7.1559 113.4955 57.1866 38.4145 177.6223 133 G 2.6300 7.2070 110.4450 48.2645 0.0000 174.8785 134 D 4.3114 7.4797 117.0700 55.1871 41.3666 175.8898 135 D 4.6438 7.6199 120.2478 52.2499 40.1945 176.4390 136 E 4.4789 8.8444 125.9991 57.9937 29.7363 178.9314 137 S 4.3600 8.0802 112.5638 60.1816 63.4892 175.1241 138 V 4.5750 7.8394 111.8951 60.9461 34.4899 175.1994 139 T 5.2464 8.4763 117.7228 61.6190 71.7369 172.7655 140 A 4.5637 9.2696 128.6335 50.6933 21.7143 177.1424 141 G 4.0795 8.8890 108.5215 46.4551 0.0000 173.1494 142 Y 4.6656 8.2071 120.2493 57.3208 39.4878 175.6103 143 L 4.5409 8.4013 127.1599 51.6050 42.5467 175.0489 144 P 3.9501 0.0000 0.0000 65.5575 31.0820 177.7350 145 D 4.3815 8.1298 117.0612 57.4578 40.5089 178.4463 146 L 4.1160 7.9176 117.6158 55.9568 41.6601 178.1702 147 W 4.5929 7.7978 117.3986 55.8382 29.8091 175.6954 148 R 4.1308 7.5486 123.8625 56.9572 29.4864 175.8118 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 5 S 8.32 4.38 0.00 3.87 3.85 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 6 I 7.85 4.22 1.85 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 1.46 0.71 0.91 0.00 0.00 7 T 8.84 4.27 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 1.20 0.00 0.00 8 N 8.43 4.59 0.00 2.74 2.81 0.00 0.00 6.24 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 9 V 7.27 4.73 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 0.96 0.00 0.00 0.84 0.00 0.00 10 K 8.01 4.80 0.00 1.33 1.70 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.55 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.37 1.24 7.81 11 Y 8.84 4.91 0.00 2.95 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 12 L 9.01 4.77 0.00 1.57 1.35 -0.31 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.49 4.75 0.00 2.68 2.39 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 14 P 0.00 4.48 0.00 2.47 2.56 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 15 T 8.66 4.06 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 1.17 0.00 0.00 16 E 7.82 3.68 0.00 1.60 1.14 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 2.16 2.12 0.00 17 L 7.17 2.96 0.00 1.12 1.76 0.53 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.03 4.19 0.00 2.52 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.76 4.05 0.00 2.01 2.05 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 20 W 7.72 4.95 0.00 2.86 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 0.00 0.00 0.00 *22 Q 8.00 4.22 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 7.13 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 23 E 8.29 3.97 0.00 1.81 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 2.48 2.41 0.00 24 G 9.62 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 25 H 7.37 4.68 0.00 3.20 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.96 2.48 3.08 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 0.00 0.00 -0.24 0.00 0.00 27 T 8.18 3.96 4.41 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 1.28 0.00 0.00 28 T 8.02 4.08 4.28 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 1.29 0.00 0.00 29 L 7.75 4.45 0.00 1.59 1.69 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.50 4.26 0.00 1.83 1.76 0.00 3.18 0.00 0.00 3.80 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 31 E 7.99 4.60 0.00 1.75 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 2.39 2.35 0.00 32 P 0.00 4.90 0.00 1.98 2.08 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 33 F 7.68 5.45 0.00 3.21 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 34 Q 9.14 4.14 0.00 1.59 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.02 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 35 V 8.25 4.24 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 0.95 0.00 0.00 0.91 0.00 0.00 36 V 8.69 4.72 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 1.03 0.00 0.00 0.51 0.00 0.00 37 D 9.42 4.87 0.00 2.83 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 38 V 8.58 5.18 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 1.15 0.00 0.00 39 R 8.59 4.45 0.00 2.21 2.20 0.00 3.40 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 40 G 8.16 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 41 S 8.94 4.19 0.00 4.02 4.06 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 0.00 0.00 0.00 42 D 7.94 4.81 0.00 2.83 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 43 Y 7.78 4.25 0.00 3.10 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 *45 G 7.79 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 46 G 5.89 4.59 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 0.00 0.00 0.00 47 H 8.30 3.72 0.00 3.17 2.71 0.00 5.46 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.00 4.36 1.70 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.84 0.56 0.00 0.00 49 K 8.59 4.16 0.00 1.77 1.81 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.54 7.81 50 D 9.14 4.69 0.00 2.93 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 51 G 7.80 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 0.00 0.00 0.00 52 W 9.04 5.29 0.00 3.42 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 53 H 8.94 5.38 0.00 2.97 3.03 0.00 5.86 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.26 4.58 0.00 2.95 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 55 A 8.54 4.47 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 56 Y 9.27 4.22 0.00 3.15 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 57 S 8.19 3.92 0.00 4.07 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 58 R 7.89 3.86 0.00 1.76 1.97 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 59 L 8.16 4.16 0.00 1.82 1.77 1.15 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.68 3.96 0.00 1.08 1.48 0.00 1.74 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81 61 Q 7.71 4.36 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 62 D 8.23 4.75 0.00 2.57 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 63 P 0.00 4.31 0.00 2.31 2.32 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 64 E 8.38 4.14 0.00 2.13 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 0.00 2.37 2.35 0.00 65 Y 8.29 4.30 0.00 3.21 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 66 L 8.00 3.97 0.00 1.97 1.82 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.46 3.79 0.00 1.99 1.86 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 68 E 8.25 3.85 0.00 2.20 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 0.00 2.31 2.34 0.00 69 L 7.57 3.30 0.00 0.78 1.49 0.49 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.90 3.89 0.00 1.83 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.50 7.81 71 H 8.30 4.28 0.00 3.17 3.29 0.00 5.67 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 72 R 8.31 3.91 0.00 1.91 1.63 0.00 2.86 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 73 L 8.41 4.21 0.00 1.89 1.76 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.36 4.08 0.00 1.71 1.74 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.22 4.03 0.00 1.98 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 2.63 0.00 76 K 8.20 4.15 0.00 2.07 2.10 0.00 1.75 0.00 0.00 1.42 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 Q 8.39 3.97 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 78 A 7.90 4.11 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 79 D 7.83 4.82 0.00 2.89 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 80 G 7.89 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 0.00 0.00 0.00 81 R 8.63 4.35 0.00 1.72 1.78 0.00 3.40 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 1.49 1.51 0.00 82 G 8.71 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 83 A 8.38 4.40 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 84 L 8.57 4.40 0.00 1.79 1.55 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.21 5.35 0.00 2.89 3.15 0.00 0.00 6.17 8.49 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 86 V 8.99 4.50 2.13 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 0.58 0.00 0.00 0.93 0.00 0.00 87 I 8.63 4.93 1.87 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 1.09 0.55 0.92 0.00 0.00 88 F 9.36 5.08 0.00 3.11 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 89 H 9.02 4.93 0.00 3.37 3.46 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 9.04 4.89 0.00 3.12 3.07 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 *92 L 8.06 4.29 0.00 1.85 1.87 0.98 0.98 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 93 S 8.24 4.09 0.00 4.29 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 0.00 94 Q 7.68 4.45 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 95 Q 7.58 4.37 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 96 R 7.91 3.39 0.00 1.88 1.89 0.00 3.33 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 97 G 7.95 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 98 P 0.00 4.12 0.00 1.97 2.05 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 99 S 7.81 4.12 0.00 2.93 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 0.00 100 A 7.98 4.28 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 0.00 101 A 7.02 2.60 1.05 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 0.00 0.00 *103 L 7.84 4.18 0.00 1.97 1.78 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.93 3.79 0.00 1.86 1.81 0.96 0.64 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 0.00 105 L 8.07 3.92 0.00 1.82 1.66 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.34 4.01 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 107 S 7.77 4.41 0.00 3.87 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 0.00 108 L 7.08 4.41 0.00 1.86 1.60 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 109 D 9.06 4.72 0.00 2.94 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 0.00 110 T 8.42 3.81 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 0.00 111 A 7.94 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.06 0.00 2.27 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 2.35 2.45 0.00 113 L 8.35 3.97 0.00 1.72 1.89 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.68 4.25 0.00 4.01 3.99 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 0.00 115 R 7.95 4.41 0.00 2.03 1.99 0.00 3.07 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 116 C 7.53 5.46 0.00 2.83 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 0.00 117 R 8.96 4.57 0.00 1.99 1.72 0.00 3.49 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 118 L 7.85 5.15 0.00 1.59 1.67 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 119 W 9.41 5.31 0.00 3.39 3.06 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 0.00 0.00 0.00 120 V 8.46 4.90 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 0.93 0.00 0.00 0.73 0.00 0.00 121 L 9.11 4.61 0.00 1.84 1.67 0.99 0.54 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 0.00 122 R 9.04 4.43 0.00 1.96 1.92 0.00 3.13 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 123 G 9.06 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 0.00 0.00 0.00 124 G 7.91 4.33 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 0.00 125 F 8.89 4.26 0.00 3.28 3.38 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 0.00 126 S 8.45 4.27 0.00 4.20 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 0.00 127 R 8.00 3.80 0.00 2.01 1.92 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 128 W 7.91 3.82 0.00 3.43 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 0.00 129 Q 7.45 3.21 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 130 S 7.19 3.91 0.00 3.85 3.81 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 0.00 131 V 6.40 3.70 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 0.00 0.00 -0.19 0.00 0.00 0.49 0.00 0.00 132 Y 7.16 4.56 0.00 1.48 2.13 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 0.00 133 G 7.21 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.48 4.31 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 0.00 135 D 7.62 4.64 0.00 2.63 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 0.00 136 E 8.84 4.48 0.00 2.03 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 2.38 2.31 0.00 137 S 8.08 4.36 0.00 4.03 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 0.00 138 V 7.84 4.57 2.41 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 0.71 0.00 0.00 0.91 0.00 0.00 139 T 8.48 5.25 4.39 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 1.48 0.00 0.00 140 A 9.27 4.56 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 0.00 141 G 8.89 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.21 4.67 0.00 2.91 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 0.00 143 L 8.40 4.54 0.00 1.70 1.52 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.95 0.00 2.12 2.13 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 145 D 8.13 4.38 0.00 2.66 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 0.00 146 L 7.92 4.12 0.00 1.62 1.19 0.86 0.54 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 0.00 147 W 7.80 4.59 0.00 3.41 3.35 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 0.00 148 R 7.55 4.13 0.00 1.84 1.86 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.