NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2232 8.3149 122.0535 56.2660 33.2304 174.8783 9 L 4.7633 8.3147 126.7319 53.0142 43.8596 173.7165 10 Y 4.5733 8.5524 118.4059 56.7486 43.0826 175.0131 11 C 4.0671 8.2416 122.8752 58.3828 32.3099 173.9048 12 I 3.9690 8.6077 121.3440 64.3037 36.6774 177.3462 13 C 4.2997 8.2332 112.6246 58.3427 30.3065 173.3393 14 K 3.9179 7.6191 118.9329 57.9257 29.4686 173.7986 15 T 4.8150 8.0665 109.2273 58.6949 72.3217 173.0148 16 P 4.9826 0.0000 0.0000 62.3339 31.7458 175.9314 17 Y 3.8576 8.7033 121.5130 57.8260 39.3559 174.7637 18 D 4.5738 7.8748 125.7804 51.9107 42.3561 175.6861 19 E 3.8414 8.7695 128.1627 57.9352 29.6014 177.8267 20 S 4.4295 8.1673 111.2763 58.7684 63.7970 174.3468 21 K 4.3458 7.6458 120.8029 55.1347 33.4234 175.6360 22 F 4.6974 8.4723 123.8965 58.0537 40.3512 174.0101 23 Y 5.0177 8.2386 122.9976 56.1509 41.1858 174.8522 24 I 4.6489 9.0514 121.2859 59.3711 41.7131 174.0387 25 G 3.4682 8.3874 115.6140 44.4510 0.0000 172.3568 26 C 4.7790 8.7801 124.9845 58.4377 32.2153 174.4311 27 D 4.3639 8.9831 126.9583 56.9244 40.8983 178.3366 28 R 4.0443 7.9769 117.9071 58.9160 28.9444 177.2655 29 C 4.3319 7.9152 110.3871 57.6700 30.5838 174.4926 30 Q 3.6136 8.1283 118.1992 56.8413 26.3696 172.8193 31 N 4.9440 7.3772 115.1559 51.9105 41.4527 173.7743 32 W 5.3343 8.5817 119.2043 55.4538 32.2205 174.8236 33 Y 5.1764 9.4366 120.4057 56.2636 42.4586 174.4484 34 H 4.2410 8.8316 119.3106 55.6448 29.4262 176.5020 35 G 4.0108 8.8907 111.1201 48.4023 0.0000 175.6724 36 R 3.9391 8.0023 120.2492 59.3833 29.9798 178.2665 37 C 4.2427 8.0309 115.2938 62.2595 28.3377 175.3360 38 V 4.1255 7.7699 111.3685 60.2454 32.7473 175.3245 39 G 3.6949 8.0736 105.6684 45.7574 0.0000 174.7787 40 I 4.5402 8.1714 117.4393 58.4117 41.6395 176.7781 41 L 4.0780 8.5064 125.5271 54.8817 43.2679 178.3313 42 Q 3.1060 8.1943 121.2724 58.5672 28.7608 179.1393 43 S 4.8910 7.6434 116.2303 60.9164 63.5892 175.8564 44 E 3.8474 8.2404 122.4618 58.7865 28.6878 178.3315 45 A 4.2241 7.9971 120.2841 54.5572 18.7044 179.3319 46 E 4.0692 8.4446 117.7184 59.0395 29.1828 179.3323 47 L 3.9446 7.1828 117.0899 57.1005 42.5943 177.4315 48 I 3.9201 6.5575 109.7849 61.1962 37.9003 174.9435 49 D 4.8858 8.5448 118.7605 54.0703 43.0343 175.4040 50 E 4.8503 7.9285 117.8521 54.8706 33.0337 173.5665 51 Y 4.8899 9.2914 125.8258 55.7451 42.6158 174.1640 52 V 4.1209 7.1592 125.0568 60.5859 33.8795 174.9594 53 C 4.0501 7.8644 122.0850 56.4918 30.5691 172.7588 54 P 4.1126 0.0000 0.0000 65.7839 30.8713 178.6567 55 Q 3.9218 7.8334 117.5001 59.5334 29.0271 178.0217 56 C 4.1120 7.8565 117.1717 62.7132 28.1275 175.6068 57 Q 3.8374 8.2449 121.5772 59.2854 28.5893 178.3608 58 S 4.0436 8.0944 114.0047 61.7803 62.1511 176.3476 59 T 3.8906 7.4540 116.9910 66.5889 68.2321 176.3000 60 E 4.0977 8.0863 119.8313 59.4663 29.5503 178.7571 61 D 4.5221 8.1841 118.0585 57.0179 40.9861 178.9270 62 A 4.2207 7.6902 120.4368 52.5319 18.7855 178.5712 *64 T 4.3308 7.9341 113.3304 63.1598 70.9042 175.1398 65 V 3.9852 7.6217 113.1985 61.9141 32.1665 177.0309 66 L 4.5071 7.6551 118.3710 55.2369 43.0877 177.0524 67 T 4.1744 7.6565 107.7884 60.3660 69.5246 172.3003 68 P 4.6468 0.0000 0.0000 62.9458 32.1244 176.0130 69 L 4.6253 8.4442 124.1482 54.9104 42.6021 177.2417 70 T 4.4480 9.4689 114.9827 60.4738 71.2169 175.6797 71 E 4.0631 8.7831 120.0584 59.4181 29.2857 179.4589 72 K 3.9666 7.9994 119.3105 59.5374 32.3591 178.4115 73 D 4.2259 8.1955 119.2264 57.6997 40.8555 178.4839 74 Y 3.8022 8.2564 117.0877 60.8735 37.8460 178.3793 75 E 4.2162 8.1838 119.8522 59.1973 29.4570 179.5488 76 G 3.6347 7.8988 105.6523 47.5844 0.0000 175.8782 77 L 3.6309 8.0397 121.3541 57.4485 41.5277 179.7857 78 K 4.0820 8.1246 118.4858 59.3087 32.0266 179.4119 79 R 3.9336 8.0162 118.9101 59.4180 30.0744 178.7766 80 V 3.7034 8.2749 118.3543 66.0353 31.6482 177.4900 81 L 4.1285 8.4303 120.4515 58.6382 42.0391 179.2812 82 R 4.3252 8.6519 119.3787 58.6700 29.7207 179.2125 83 S 4.3419 7.8864 113.1588 61.2547 63.3826 176.3927 84 L 4.2408 8.1836 122.6810 57.9153 41.2618 179.4508 85 Q 4.1179 8.4398 117.6217 58.3965 28.4076 177.8696 86 A 4.4651 7.7332 119.1676 51.8775 19.5665 177.0220 87 H 4.1250 7.5369 117.9687 55.5381 30.4074 177.3321 88 K 4.1328 8.2030 126.4487 56.2315 31.0627 177.8084 *90 A 4.5364 8.0912 121.8928 51.1461 20.5286 179.2136 91 W 4.4049 8.6039 112.8455 58.9863 27.7706 175.5540 92 P 3.8381 0.0000 0.0000 63.4198 31.0140 176.4054 93 F 4.8918 7.8255 117.7395 57.2778 39.4102 177.1469 94 L 4.0454 7.9402 123.5549 57.0581 41.7020 176.6821 95 E 4.7906 7.6384 115.0265 53.3442 33.4165 173.4867 96 P 4.3367 0.0000 0.0000 62.3925 31.9725 176.6295 97 V 3.4634 7.8231 120.6855 62.2738 32.0356 175.3813 98 D 4.4761 8.5319 127.2297 53.4343 41.7356 174.6743 99 P 4.4974 0.0000 0.0000 66.0835 31.0044 178.1255 100 N 4.3591 8.9087 115.2234 56.7057 39.0153 176.3012 101 D 4.7184 7.8758 118.6072 56.3941 42.1115 177.0341 102 A 4.6905 7.5349 121.6957 49.7647 19.8287 174.0219 103 P 4.6871 0.0000 0.0000 64.7392 32.0421 177.7614 104 D 4.5999 8.1483 116.2696 55.1125 40.3328 177.4747 105 Y 3.5851 8.0714 121.7518 61.1055 38.4321 177.3651 106 Y 4.3990 8.0293 113.3427 59.1390 38.0695 177.2474 107 G 3.8665 7.9526 107.4232 46.6520 0.0000 175.9211 108 V 4.3160 7.5087 112.6194 61.9749 32.5545 176.2775 109 I 3.8616 7.2187 120.6068 60.2364 36.2693 176.0402 110 K 4.1439 8.3394 125.9991 58.2673 32.6818 177.4690 111 E 4.5848 7.5450 118.1712 53.0924 29.1947 172.1144 112 P 4.3008 0.0000 0.0000 62.4194 32.3683 175.6713 *114 D 4.3793 8.1042 117.6343 52.8025 40.2137 175.6468 115 L 4.0024 8.5401 119.1571 57.6153 42.0014 179.1407 116 A 4.1626 8.0311 121.2003 55.5177 18.5753 180.2483 117 T 3.9836 8.0409 110.6619 64.1502 67.9874 176.0874 *119 E 4.3061 8.3533 124.0301 56.3501 31.5000 177.3721 120 E 3.9421 8.3182 118.8650 59.3646 29.5471 178.8479 121 R 3.7742 8.0752 118.1722 59.2205 30.0837 179.1992 122 V 4.0102 7.9692 117.4071 66.3378 31.4777 177.6723 123 Q 4.1265 8.2594 118.0561 58.9957 28.9668 177.5470 124 R 4.2853 8.1681 116.5237 55.3186 30.4497 176.3870 125 R 4.2743 8.0065 116.1413 56.4215 28.2238 177.2341 126 Y 4.0894 8.3539 121.2661 60.5469 39.0322 176.0635 127 Y 4.7335 7.9597 116.6880 57.8265 38.9542 174.9107 128 E 4.7913 10.6476 122.9637 56.1432 32.1254 176.1240 129 K 5.0357 7.9487 117.3619 53.3137 36.3855 176.6730 130 L 3.8160 8.7552 123.8385 58.7839 41.7021 179.2592 131 T 3.8487 8.0192 112.8390 65.3506 67.0932 175.8415 132 E 4.0505 8.3803 120.5270 59.1989 29.2511 179.1052 133 F 3.1779 7.8342 119.6028 60.8985 39.5764 177.0342 134 V 3.8253 7.8789 116.7481 65.7833 31.7247 177.5053 135 A 4.1583 8.2265 120.9020 55.1007 18.2008 179.8138 136 D 4.3277 7.5208 114.3698 55.3937 40.6027 178.5570 *138 T 4.2429 7.9200 118.8156 63.4601 70.7189 176.3788 139 K 3.8070 7.5340 121.7178 59.2268 32.1080 178.8565 140 I 3.3949 6.9244 119.5928 64.3143 36.9595 178.4634 141 F 4.1435 6.8531 117.7551 60.6919 38.9023 177.3729 142 D 4.3775 8.3470 118.8538 57.4362 40.5455 178.6391 143 N 4.3450 8.4119 117.3372 56.3243 38.4380 177.0247 144 C 4.2917 7.9671 119.5859 62.7934 31.5660 175.9768 145 R 3.6858 7.8628 117.9369 58.7420 29.5427 178.1493 146 Y 4.2597 7.6975 119.0005 60.7080 39.0134 176.4703 147 Y 4.0813 8.2864 119.3388 58.9900 39.2828 175.1893 148 N 4.8810 7.8429 116.2794 50.5151 40.8442 173.0524 149 P 4.4391 0.0000 0.0000 62.2832 32.1552 177.6545 150 S 2.7900 8.3109 115.0878 60.1782 62.6718 174.6550 151 D 4.5687 7.6318 118.3661 53.4264 40.2242 177.0719 152 S 4.4394 8.0977 116.0235 57.6752 64.3925 172.9053 153 P 4.3786 0.0000 0.0000 65.2878 31.1586 179.2317 154 F 4.0713 8.0354 116.7745 60.6949 38.9821 176.8783 155 Y 4.1046 8.3345 118.6718 61.0013 38.5587 178.0850 156 Q 4.2115 8.4484 118.9772 59.1363 28.7132 178.3408 157 C 4.1729 8.5879 117.9270 62.7765 28.1046 176.0907 158 A 3.8859 8.1057 121.8497 55.0265 17.9404 179.4200 159 E 3.7299 7.8778 116.8271 59.5237 29.6152 179.7904 160 V 3.5668 8.0078 118.3140 66.1124 31.5918 178.0098 161 L 3.8715 7.9649 118.9004 57.7594 41.3528 179.2175 162 E 3.3986 7.4352 119.2363 58.8030 29.3501 178.8151 163 S 4.0456 7.7526 112.9542 61.2956 62.5122 175.8777 164 F 4.0901 8.3102 123.3651 61.1860 39.1357 176.8104 165 F 4.3659 8.7819 120.6898 61.4617 39.0551 177.0600 166 V 3.3128 7.9309 116.8209 66.0665 31.5737 177.4597 167 Q 3.9770 7.7579 118.6733 59.1651 28.7155 178.3394 168 K 3.8609 7.5443 118.0998 59.1417 32.2823 178.8067 169 L 4.1277 7.5703 118.6093 55.1630 41.4293 177.0743 170 K 3.9801 7.1510 119.1441 57.7342 32.1497 176.7663 171 G 3.8809 8.8484 112.2246 46.3851 0.0000 174.5485 172 F 4.2380 8.2890 123.0808 60.1281 39.4896 175.1896 173 K 3.9129 7.8560 122.0227 56.7896 32.5320 175.6013 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 8 K 8.31 4.22 0.00 1.71 1.77 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.49 1.16 7.81 9 L 8.31 4.76 0.00 1.69 1.48 0.93 0.52 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 10 Y 8.55 4.57 0.00 3.07 3.04 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 11 C 8.24 4.07 0.00 3.17 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 12 I 8.61 3.97 2.01 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 1.67 0.99 0.99 0.00 0.00 13 C 8.23 4.30 0.00 3.15 3.13 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 14 K 7.62 3.92 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.53 7.81 15 T 8.07 4.81 4.34 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 1.32 0.00 0.00 16 P 0.00 4.98 0.00 2.14 2.12 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 17 Y 8.70 3.86 0.00 2.54 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 18 D 7.87 4.57 0.00 2.62 2.42 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 0.00 19 E 8.77 3.84 0.00 2.03 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 0.00 2.34 2.37 0.00 20 S 8.17 4.43 0.00 4.00 3.93 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 21 K 7.65 4.35 0.00 1.60 1.48 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.31 7.81 22 F 8.47 4.70 0.00 3.12 2.92 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 23 Y 8.24 5.02 0.00 2.69 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 24 I 9.05 4.65 1.58 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.61 0.65 0.00 0.00 25 G 8.39 3.47 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 0.00 26 C 8.78 4.78 0.00 3.10 2.93 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 27 D 8.98 4.36 0.00 2.63 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 28 R 7.98 4.04 0.00 1.73 1.93 0.00 3.33 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 29 C 7.92 4.33 0.00 3.12 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 30 Q 8.13 3.61 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 31 N 7.38 4.94 0.00 2.71 2.51 0.00 0.00 6.87 7.55 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 32 W 8.58 5.33 0.00 3.32 3.21 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 33 Y 9.44 5.18 0.00 2.97 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 H 8.83 4.24 0.00 3.07 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.89 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 0.00 0.00 0.00 36 R 8.00 3.94 0.00 1.90 1.93 0.00 3.17 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 37 C 8.03 4.24 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 38 V 7.77 4.13 2.19 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 0.74 0.00 0.00 1.02 0.00 0.00 39 G 8.07 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 0.00 0.00 0.00 40 I 8.17 4.54 1.83 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 1.34 0.68 0.91 0.00 0.00 41 L 8.51 4.08 0.00 1.71 1.52 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.19 3.11 0.00 1.56 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.08 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 43 S 7.64 4.89 0.00 4.00 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 44 E 8.24 3.85 0.00 2.03 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 2.40 2.40 0.00 45 A 8.00 4.22 1.52 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 0.00 0.00 46 E 8.44 4.07 0.00 2.16 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 2.57 0.00 47 L 7.18 3.94 0.00 1.68 1.87 0.93 1.06 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 48 I 6.56 3.92 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 1.01 0.00 0.00 49 D 8.54 4.89 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.93 4.85 0.00 1.96 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 2.16 2.41 0.00 51 Y 9.29 4.89 0.00 3.07 2.92 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 52 V 7.16 4.12 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 0.75 0.00 0.00 0.78 0.00 0.00 53 C 7.86 4.05 0.00 2.18 2.46 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 54 P 0.00 4.11 0.00 2.10 2.11 0.00 3.24 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 2.06 2.12 0.00 55 Q 7.83 3.92 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 56 C 7.86 4.11 0.00 2.86 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 57 Q 8.24 3.84 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 58 S 8.09 4.04 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 3.89 4.38 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 1.20 0.00 0.00 60 E 8.09 4.10 0.00 2.04 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 0.00 2.31 2.46 0.00 61 D 8.18 4.52 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 62 A 7.69 4.22 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 *64 T 7.93 4.33 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 65 V 7.62 3.99 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 0.78 0.00 0.00 0.97 0.00 0.00 66 L 7.66 4.51 0.00 1.62 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.66 4.17 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 1.22 0.00 0.00 68 P 0.00 4.65 0.00 1.99 2.06 0.00 3.69 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 2.04 2.14 0.00 69 L 8.44 4.63 0.00 1.82 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.47 4.45 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 1.27 0.00 0.00 71 E 8.78 4.06 0.00 2.02 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 2.40 2.30 0.00 72 K 8.00 3.97 0.00 1.77 1.75 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 73 D 8.20 4.23 0.00 3.11 2.83 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 0.00 0.00 0.00 74 Y 8.26 3.80 0.00 3.26 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 75 E 8.18 4.22 0.00 2.15 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 2.38 2.61 0.00 76 G 7.90 3.63 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 77 L 8.04 3.63 0.00 1.60 1.29 0.06 -0.66 0.00 0.00 0.00 0.00 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0.00 2.43 2.61 0.00 86 A 7.73 4.47 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 87 H 7.54 4.13 0.00 3.07 3.20 0.00 5.77 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 88 K 8.20 4.13 0.00 1.76 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *90 A 8.09 4.54 1.49 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 0.00 0.00 91 W 8.60 4.40 0.00 3.54 3.25 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 92 P 0.00 3.84 0.00 1.05 0.65 0.00 2.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.71 0.00 93 F 7.83 4.89 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 94 L 7.94 4.05 0.00 1.74 1.75 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.64 4.79 0.00 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0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.37 7.81 140 I 6.92 3.39 0.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.14 0.00 0.00 141 F 6.85 4.14 0.00 2.91 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 0.00 142 D 8.35 4.38 0.00 2.66 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 0.00 143 N 8.41 4.35 0.00 2.75 2.87 0.00 0.00 6.66 8.05 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 0.00 144 C 7.97 4.29 0.00 3.35 3.17 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 0.00 145 R 7.86 3.69 0.00 1.73 1.81 0.00 2.91 0.00 0.00 2.91 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 146 Y 7.70 4.26 0.00 3.07 3.17 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 0.00 147 Y 8.29 4.08 0.00 2.89 3.09 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 0.00 0.00 0.00 0.00 148 N 7.84 4.88 0.00 3.04 2.91 0.00 0.00 7.07 7.99 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 0.00 149 P 0.00 4.44 0.00 2.33 2.11 0.00 3.76 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 2.11 1.95 0.00 150 S 8.31 2.79 0.00 3.39 3.44 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 0.00 0.00 0.00 0.00 151 D 7.63 4.57 0.00 2.74 2.74 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 0.00 152 S 8.10 4.44 0.00 4.03 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 0.00 153 P 0.00 4.38 0.00 1.99 2.06 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 154 F 8.04 4.07 0.00 3.22 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 0.00 155 Y 8.33 4.10 0.00 3.23 3.15 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 0.00 156 Q 8.45 4.21 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 157 C 8.59 4.17 0.00 3.23 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 0.00 158 A 8.11 3.89 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 0.00 159 E 7.88 3.73 0.00 2.25 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 2.54 2.67 0.00 160 V 8.01 3.57 2.23 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 1.09 0.00 0.00 1.05 0.00 0.00 161 L 7.96 3.87 0.00 1.62 1.69 1.24 0.91 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 0.00 162 E 7.44 3.40 0.00 1.16 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 2.19 2.30 0.00 163 S 7.75 4.05 0.00 4.00 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 0.00 164 F 8.31 4.09 0.00 3.25 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 0.00 165 F 8.78 4.37 0.00 3.37 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 0.00 166 V 7.93 3.31 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 0.79 0.00 0.00 1.04 0.00 0.00 167 Q 7.76 3.98 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 168 K 7.54 3.86 0.00 1.80 1.80 0.00 1.76 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.86 1.39 7.81 169 L 7.57 4.13 0.00 1.49 1.46 0.44 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.15 3.98 0.00 1.91 1.73 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.40 7.81 171 G 8.85 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 0.00 172 F 8.29 4.24 0.00 3.04 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 0.00 173 K 7.86 3.91 0.00 1.76 1.56 0.00 1.95 0.00 0.00 2.08 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.