NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4835 8.1749 117.3746 63.4987 70.1034 172.9805 2 S 4.5988 9.8738 121.7312 55.0566 66.3907 171.5852 3 I 5.3364 8.1775 118.0885 59.6720 41.1763 173.9002 4 M 4.8592 8.8598 119.5495 54.5641 34.9325 173.1925 5 A 5.1609 8.4215 120.7452 50.3616 22.4075 175.5514 6 V 4.5114 8.8530 122.4203 61.1349 34.4996 175.1160 7 T 4.7110 8.7228 118.3096 61.2921 70.1402 173.4664 8 F 4.9238 8.7254 117.6407 55.3764 41.2904 175.2537 9 K 3.9441 8.7844 121.1532 59.9313 31.9440 176.9280 10 D 4.5202 7.3253 116.3391 55.0031 42.9779 177.4613 11 G 4.1853 5.4444 110.7017 45.6877 0.0000 176.1383 12 V 5.0413 8.5635 117.3132 60.4630 33.8765 172.5344 13 I 4.6493 8.8823 122.6939 59.6355 40.5573 174.2891 14 L 5.0618 8.6058 126.2460 53.2518 43.6278 176.0084 15 G 4.3442 9.0332 108.9927 45.0114 0.0000 170.9889 16 A 5.6629 8.3636 119.9369 51.8660 22.0377 175.7482 17 D 4.7690 8.7179 120.1210 52.3216 41.7715 175.9674 18 S 5.0015 8.3412 110.5668 57.2873 63.9984 173.0449 19 R 5.1375 8.3669 120.9026 55.7094 31.7885 175.0220 20 T 4.8589 8.8743 116.2783 60.0668 71.6945 172.9664 21 T 5.0221 8.5715 113.9784 60.2118 72.2266 173.9688 22 T 4.4513 8.5737 112.5852 60.3695 70.0671 174.3950 23 G 4.1499 8.4945 120.5191 46.8038 0.0000 172.6261 24 A 4.3489 8.5713 125.8467 52.4372 19.5423 176.5484 25 Y 4.3450 7.6476 117.6557 56.7956 39.4875 174.7879 26 I 4.0399 7.2921 128.0116 59.5730 36.3043 175.1851 27 A 4.1124 8.2466 128.8499 54.2732 18.7494 177.6721 28 N 4.8730 8.0895 114.3490 52.0513 41.5793 174.5018 29 R 4.6600 8.6529 120.4288 56.1982 30.2301 176.1308 30 V 4.6262 7.9858 111.9875 61.5121 32.0519 176.2230 31 T 4.0132 8.3868 117.0490 63.8528 69.8879 173.8591 32 D 4.7558 8.6391 124.6471 52.8433 42.1270 175.6021 33 K 4.3897 8.6828 124.5402 56.5610 33.6082 176.1923 34 L 4.8303 8.1623 121.3819 53.8195 42.5673 175.9256 35 T 4.5730 8.8801 121.5198 61.5500 71.4128 173.7532 36 R 3.2734 7.7773 125.8842 55.1153 30.2447 176.2693 37 V 4.1791 7.8707 118.7977 61.8125 33.6647 174.9766 38 H 4.6254 7.7812 117.0713 55.2945 32.4947 174.0178 39 D 4.5497 8.2002 123.7735 56.6868 40.7746 179.2565 40 K 4.9960 8.2097 116.6977 56.1322 34.4367 175.3239 41 I 5.0414 8.3987 121.6017 59.7316 40.2557 174.8602 42 W 5.2258 9.7010 127.1322 54.9494 33.2920 174.1624 43 C 5.2916 9.4937 114.6458 57.2996 33.2138 172.5829 44 C 5.2213 9.2072 117.9665 58.2192 30.2627 173.0299 45 R 5.1279 8.5055 122.9687 54.5390 31.7760 175.7734 46 S 4.5975 8.9310 116.7844 56.6022 66.9325 174.1190 47 G 4.4194 9.0082 106.1595 44.4292 0.0000 175.8931 48 S 4.2706 9.7760 121.5426 57.3051 62.9112 174.4759 49 A 3.9935 8.8640 129.7969 55.2253 18.2433 179.1994 50 A 3.9575 7.9422 118.7602 55.4085 18.4894 179.4719 51 D 4.3166 8.9086 118.2799 57.8059 40.9638 179.2023 52 T 3.9690 8.3177 110.6867 64.7358 68.6763 176.6633 53 Q 3.9453 8.3100 120.6462 58.7499 28.8611 178.4477 54 A 3.9966 7.9820 121.6818 55.2708 18.4014 179.7498 55 I 3.6018 8.0411 118.0542 64.4072 37.1438 178.4149 56 A 4.0025 8.4990 121.9071 55.4398 18.3883 179.1680 57 D 4.3153 8.4185 117.6796 57.8779 40.8208 179.4624 58 I 3.8112 7.7018 119.9441 64.1684 37.0763 178.6564 59 V 3.3934 7.7199 119.1729 66.0301 31.3150 177.7199 60 Q 4.1625 8.2692 119.5916 59.3540 28.7661 177.9110 61 Y 4.1636 7.8268 119.9480 61.1227 38.8593 177.6139 62 H 3.8277 8.3610 117.3054 58.9442 28.7520 177.8981 63 L 4.0066 8.3698 121.0932 57.6207 41.2744 179.1617 64 E 3.9363 8.3001 119.4707 59.0063 29.4005 178.6834 65 L 3.8244 7.8157 120.5875 57.9639 42.0528 178.0185 66 Y 3.8316 8.2740 119.9536 61.2183 38.4711 178.5309 67 T 4.3022 7.9712 116.8070 66.2537 68.6070 176.7669 68 S 4.1788 7.5709 116.4609 60.7310 62.7940 175.7732 69 Q 4.0935 6.9883 119.4763 56.7572 29.4672 176.1511 70 Y 4.4780 7.4170 115.6033 57.7562 39.2064 175.5506 *72 G 4.1654 7.5118 108.8906 45.4136 0.0000 172.0710 73 T 4.2460 8.5641 115.6936 63.4220 68.7712 172.4623 74 P 4.5448 0.0000 0.0000 61.7788 32.6001 176.0735 75 S 4.4639 8.1169 114.5958 58.0160 63.7381 175.3322 76 T 3.9372 8.2769 117.2767 66.4877 68.1155 176.6994 77 E 4.0210 8.0793 121.1253 59.3945 29.7072 178.7611 78 T 3.8748 7.8824 115.8248 66.1894 68.4227 176.7303 79 A 3.9618 7.8219 122.8737 55.0734 18.3597 179.5712 80 A 4.1110 8.0372 119.1046 55.2518 18.3039 179.8637 81 S 4.0286 7.9940 111.8601 61.4446 62.5681 176.5997 82 V 3.5197 7.8344 121.0615 65.9042 31.2157 177.9603 83 F 4.0160 8.3559 117.6010 60.4146 38.7404 177.5465 84 K 3.9904 8.5126 119.4503 59.4225 32.0398 178.1126 85 E 3.9836 8.4718 119.9326 59.4968 29.5359 178.8526 86 L 4.0149 7.8060 118.2380 58.2468 41.5490 179.4401 87 C 4.2496 8.1547 115.2092 62.7489 28.4282 175.4373 88 Y 4.2568 8.5692 121.5683 60.7334 38.3825 177.1722 89 E 3.9682 8.3196 118.5570 58.2400 29.8816 176.8628 90 N 5.0175 7.8165 115.4616 52.4171 39.4582 176.3910 91 K 3.9182 7.7622 120.4202 60.0549 32.7827 177.8541 92 D 4.3046 7.6209 118.4402 56.8649 40.9170 177.5779 *94 N 5.1160 7.9040 113.8910 52.5199 40.0982 173.6795 95 L 5.1134 7.7109 116.9173 53.5039 45.4459 176.7610 96 T 4.7307 8.3870 116.9524 61.5314 69.8184 170.9166 97 A 4.9928 8.2443 123.6344 49.9430 22.5768 175.3530 98 G 4.0764 9.2823 111.2044 44.7654 0.0000 172.3082 99 I 5.0729 8.3614 126.2642 59.3142 40.6087 175.0640 100 I 4.3450 8.3551 126.8563 59.5134 39.6163 174.5478 101 V 4.6308 8.3265 127.1446 61.1559 33.0249 174.6666 102 A 4.8324 9.0477 129.3908 50.2140 21.9843 174.8994 103 G 4.5656 8.6748 107.6687 45.0465 0.0000 171.2700 104 Y 4.6409 8.8189 123.2077 55.4794 40.5047 175.2694 105 D 4.3541 7.8849 125.0315 54.2166 41.5127 175.3649 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 1 T 8.17 4.48 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 2 S 9.87 4.60 0.00 3.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.18 5.34 1.88 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 1.40 0.65 0.96 0.00 0.00 4 M 8.86 4.86 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.42 5.16 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 6 V 8.85 4.51 2.12 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 1.13 0.00 0.00 0.94 0.00 0.00 7 T 8.72 4.71 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 F 8.73 4.92 0.00 3.27 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 9 K 8.78 3.94 0.00 1.83 2.07 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.54 7.81 10 D 7.33 4.52 0.00 2.63 2.61 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 0.00 0.00 0.00 0.00 11 G 5.44 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 0.00 0.00 0.00 0.00 12 V 8.56 5.04 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 0.76 0.00 0.00 1.06 0.00 0.00 13 I 8.88 4.65 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.84 0.00 0.00 14 L 8.61 5.06 0.00 1.46 1.59 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.03 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 0.00 0.00 0.00 0.00 16 A 8.36 5.66 1.20 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 17 D 8.72 4.77 0.00 2.69 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 18 S 8.34 5.00 0.00 3.94 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 19 R 8.37 5.14 0.00 1.81 2.04 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 20 T 8.87 4.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 T 8.57 5.02 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 1.20 0.00 0.00 22 T 8.57 4.45 4.30 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 1.27 0.00 0.00 23 G 8.49 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 0.00 0.00 0.00 24 A 8.57 4.35 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 25 Y 7.65 4.35 0.00 3.08 3.03 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 26 I 7.29 4.04 1.57 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.81 0.00 0.00 27 A 8.25 4.11 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 28 N 8.09 4.87 0.00 2.61 2.60 0.00 0.00 6.84 8.21 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 29 R 8.65 4.66 0.00 1.89 1.92 0.00 3.00 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 7.99 4.63 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.39 4.01 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 1.23 0.00 0.00 32 D 8.64 4.76 0.00 2.70 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 33 K 8.68 4.39 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 34 L 8.16 4.83 0.00 1.87 1.87 0.93 0.77 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 35 T 8.88 4.57 4.29 0.00 0.00 0.00 0.00 0.00 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 36 R 7.78 3.27 0.00 0.67 1.11 0.00 3.09 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 37 V 7.87 4.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.09 0.00 0.00 38 H 7.78 4.63 0.00 3.14 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.20 4.55 0.00 2.67 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 40 K 8.21 5.00 0.00 1.84 2.06 0.00 1.77 0.00 0.00 2.06 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.56 7.81 41 I 8.40 5.04 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 1.03 0.00 0.00 42 W 9.70 5.23 0.00 3.21 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 43 C 9.49 5.29 0.00 2.72 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 44 C 9.21 5.22 0.00 2.81 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 45 R 8.51 5.13 0.00 1.73 1.86 0.00 3.19 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.93 4.60 0.00 3.88 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 47 G 9.01 4.42 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 0.00 0.00 0.00 48 S 9.78 4.27 0.00 3.83 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 49 A 8.86 3.99 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 50 A 7.94 3.96 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 51 D 8.91 4.32 0.00 2.69 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 52 T 8.32 3.97 4.31 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 1.29 0.00 0.00 53 Q 8.31 3.95 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 A 7.98 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 55 I 8.04 3.60 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 1.01 0.00 0.00 56 A 8.50 4.00 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 57 D 8.42 4.32 0.00 2.85 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 58 I 7.70 3.81 1.99 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 1.40 0.79 1.01 0.00 0.00 59 V 7.72 3.39 1.69 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 0.56 0.00 0.00 -0.13 0.00 0.00 60 Q 8.27 4.16 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 61 Y 7.83 4.16 0.00 3.00 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 62 H 8.36 3.83 0.00 3.28 3.26 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 63 L 8.37 4.01 0.00 1.60 1.59 0.88 0.60 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 64 E 8.30 3.94 0.00 2.07 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 2.30 2.32 0.00 65 L 7.82 3.82 0.00 1.48 1.52 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.27 3.83 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 67 T 7.97 4.30 4.42 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 1.28 0.00 0.00 68 S 7.57 4.18 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 6.99 4.09 0.00 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.07 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 70 Y 7.42 4.48 0.00 2.27 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 G 7.51 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 0.00 0.00 0.00 73 T 8.56 4.25 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 1.31 0.00 0.00 74 P 0.00 4.54 0.00 1.76 1.19 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 75 S 8.12 4.46 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 76 T 8.28 3.94 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 1.27 0.00 0.00 77 E 8.08 4.02 0.00 2.01 1.91 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 2.35 2.38 0.00 78 T 7.88 3.87 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 0.81 0.00 0.00 79 A 7.82 3.96 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 80 A 8.04 4.11 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.99 4.03 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 82 V 7.83 3.52 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 0.85 0.00 0.00 83 F 8.36 4.02 0.00 3.39 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 84 K 8.51 3.99 0.00 1.90 2.03 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.58 7.81 85 E 8.47 3.98 0.00 2.29 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 2.32 2.46 0.00 86 L 7.81 4.01 0.00 1.96 1.73 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.15 4.25 0.00 3.11 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 88 Y 8.57 4.26 0.00 2.96 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 89 E 8.32 3.97 0.00 2.40 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 2.38 2.42 0.00 90 N 7.82 5.02 0.00 2.90 2.74 0.00 0.00 6.59 8.11 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 91 K 7.76 3.92 0.00 1.86 2.09 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.37 1.33 7.81 92 D 7.62 4.30 0.00 2.87 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 *94 N 7.90 5.12 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.71 5.11 0.00 1.60 1.55 0.96 0.84 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 96 T 8.39 4.73 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 97 A 8.24 4.99 1.23 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 0.00 0.00 98 G 9.28 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 99 I 8.36 5.07 1.69 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 0.26 0.00 0.00 100 I 8.36 4.34 1.84 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 1.08 0.63 0.89 0.00 0.00 101 V 8.33 4.63 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 0.87 0.00 0.00 0.52 0.00 0.00 102 A 9.05 4.83 1.26 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 0.00 0.00 0.00 103 G 8.67 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.82 4.64 0.00 3.00 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 0.00 105 D 7.88 4.35 0.00 2.50 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.