NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3319 8.1227 122.4760 51.7616 20.8048 174.8916 3 L 4.8677 8.2384 121.8955 52.9913 43.8406 174.5395 4 F 5.1031 9.7175 124.8105 55.6430 43.7762 173.7370 5 G 4.6072 9.3401 105.9282 44.9344 0.0000 171.1588 6 Y 5.6368 8.9941 122.5134 55.6492 42.1038 174.3430 7 A 4.7104 8.3256 126.9844 50.1291 22.7809 174.7906 8 R 4.8942 8.5291 120.5232 54.8945 33.5130 174.5714 9 V 4.5176 8.5018 117.8038 59.8844 36.0034 176.6907 10 S 4.2691 8.9636 118.3459 61.5730 62.2148 175.5010 11 T 4.3484 7.7879 105.3683 62.1327 71.2334 174.4911 12 S 4.0959 8.0328 118.7929 58.3767 63.5860 174.5471 13 Q 3.7941 8.6606 128.6443 58.8337 29.0580 177.3607 14 Q 3.9545 8.1307 120.5689 59.4785 28.9436 178.7438 15 S 4.1885 7.9943 114.3640 60.9475 63.1690 175.9533 16 L 3.8400 7.4531 123.8985 58.1962 41.7817 178.7036 17 D 4.3439 8.1136 118.8360 57.3588 40.6983 178.8097 18 I 3.6902 7.6474 119.9587 64.3358 36.9927 178.5575 19 Q 3.9106 8.2739 119.0742 58.9419 28.5268 178.8435 20 V 3.5265 8.0092 119.5868 66.0001 31.5628 177.8646 21 R 3.8228 8.1520 118.2189 59.5395 29.9045 178.3428 22 A 4.0262 8.1612 120.4767 55.0315 18.3304 179.6243 23 L 3.9332 8.2904 117.9370 57.9458 41.7267 179.8861 24 K 4.3067 8.1690 119.9153 59.1325 31.7657 179.1889 25 D 4.4310 8.0842 117.7840 56.5417 40.8264 177.6504 26 A 4.4119 7.7260 119.2453 52.0602 18.9594 177.7812 27 G 3.9494 7.7784 106.0904 45.0120 0.0000 173.8953 28 V 3.8138 7.8593 120.4839 61.5443 32.2869 175.9209 29 K 4.0235 8.4325 126.2831 56.1057 32.4312 177.6255 30 A 3.9242 8.7518 125.7726 55.4679 18.2915 178.8929 31 N 4.5241 7.9974 109.5343 53.9583 37.8393 175.3644 32 R 4.6197 8.1816 117.9666 56.1863 31.8850 175.0312 33 I 4.8646 7.1460 120.6418 60.0696 38.4184 175.2164 34 F 5.0942 9.5098 126.0504 55.8642 42.0837 174.6012 35 T 5.6447 8.4796 111.1806 59.1171 72.7423 172.2374 36 D 4.9216 8.3198 120.6507 52.7511 45.7925 174.7732 37 K 4.6533 8.7023 121.0707 54.4555 33.7120 175.3703 38 A 4.2077 9.2459 128.5956 51.2737 18.7170 176.4513 *44 D 4.2976 8.5280 121.1936 54.6540 40.7593 176.9244 45 R 4.1383 8.6179 115.2311 56.9389 28.8093 178.6631 46 K 4.0062 7.9099 118.4297 59.7982 32.0283 179.2598 47 G 4.0913 9.0026 107.4097 47.2259 0.0000 175.4857 48 L 3.8302 8.4042 122.7174 58.0392 41.8754 178.8342 49 D 4.3077 8.3620 118.3550 57.2539 40.8060 178.4185 50 L 4.0824 7.5857 118.1413 57.5419 41.8121 178.8823 51 L 2.9451 7.5989 120.2706 57.6191 41.8220 180.7701 52 R 3.9705 7.4102 117.7956 55.9599 30.4886 177.9809 *54 K 4.3297 8.0980 119.3085 56.2680 34.2181 177.2614 55 V 3.9127 6.8797 111.4595 60.6917 32.3283 175.0688 56 K 4.5950 9.2040 120.5564 54.7858 35.7443 175.0605 57 E 4.2733 8.1080 118.8691 57.5264 29.5565 176.3638 58 G 4.0918 9.1329 114.6267 45.4752 0.0000 173.6687 59 D 4.8400 8.1519 119.1142 54.5080 42.4138 175.7121 60 V 4.8042 8.8461 120.1173 61.2479 35.0478 174.1508 61 I 4.9306 8.4864 128.5312 59.5655 39.4606 174.7870 62 L 4.7874 9.0734 128.0201 54.1576 43.2708 176.1793 63 V 4.8057 8.7128 122.4543 61.0654 34.8721 175.5820 64 K 4.0599 9.1873 129.2961 59.1242 32.6951 176.3875 65 K 5.1099 8.0557 117.6305 54.1542 36.3218 177.0312 66 L 2.9721 8.3690 121.7409 58.0779 41.5482 179.1299 67 D 4.4622 7.8304 114.5636 55.9449 41.2974 175.7777 68 H 4.8592 8.1449 114.7301 56.4586 29.1541 175.5804 69 L 4.5353 7.9972 122.6559 56.9077 42.3374 176.6330 70 G 4.3002 7.7527 104.3874 43.2668 0.0000 172.9671 71 R 4.1387 8.4765 115.2518 58.2128 29.7104 175.7612 72 D 4.8071 7.5701 115.3483 51.6850 42.7346 174.9493 73 T 3.9413 8.6844 114.7933 66.8460 68.5795 175.9360 74 A 4.1058 8.0415 123.6946 55.2796 18.7425 178.4792 75 D 4.7396 8.1903 113.3862 55.0938 41.0673 178.0136 *77 I 4.1150 7.9149 119.5629 60.9605 39.1981 177.8010 78 Q 3.9443 7.8895 120.2988 59.2090 28.7900 178.3550 79 L 3.9136 8.1386 120.0163 57.7493 41.5778 179.4892 80 I 3.8720 7.8310 119.2625 64.5500 37.2829 178.5363 81 K 4.0107 8.3269 119.3401 59.2506 31.4750 179.2328 82 E 3.8270 8.2988 119.0093 59.5567 29.3382 179.3631 83 F 4.2430 8.0027 117.5486 60.7283 39.1004 177.2932 84 D 4.4295 8.5878 117.5983 57.2808 40.7605 178.1214 85 A 4.1003 7.7770 121.0040 54.5887 18.6401 178.1885 86 Q 4.1034 7.7630 112.8629 56.4818 29.3130 177.3729 87 G 3.8461 8.1405 106.5899 45.7496 0.0000 172.4099 88 V 4.8425 7.9907 119.6973 60.7931 33.0357 175.2670 89 S 4.8918 8.5930 121.9095 56.7011 66.3777 172.7324 90 I 4.6162 8.4520 121.7658 59.4105 40.0197 174.4880 91 R 4.7112 8.6704 127.4696 54.5619 32.3531 174.6666 92 F 5.0859 8.8148 126.3853 56.5174 39.2991 176.8129 93 I 3.7021 9.1177 126.3461 64.6765 37.2645 178.7394 94 D 4.4983 8.3597 119.3736 57.3138 40.8105 177.8474 95 D 4.4217 7.6687 114.8689 54.6303 41.4030 176.3050 96 G 3.8891 8.1382 106.4748 46.6286 0.0000 173.9353 97 I 4.6186 7.5116 118.1293 59.3286 41.4509 175.1214 98 S 5.1607 8.3849 120.7575 56.8648 64.5998 175.5152 99 T 4.0490 8.4771 114.5226 63.9670 68.6860 174.8747 100 D 4.7095 7.9899 120.1148 52.9496 40.0281 176.1962 101 S 4.6566 7.5577 115.8156 57.0930 64.6976 174.5460 102 Y 4.2585 8.3635 118.3181 59.8740 38.0518 178.3338 103 I 3.7854 7.1104 120.8253 63.9926 37.6385 177.7833 104 G 4.2482 7.6471 107.4290 47.1418 0.0000 176.3931 105 K 4.1592 7.8824 117.4227 56.8634 31.7374 179.0101 *107 V 3.9553 7.6985 120.9362 63.0493 33.3407 177.6531 108 V 3.6001 7.9703 118.7622 66.4489 31.3163 178.1096 109 T 3.9604 7.8126 116.7145 66.2038 68.2724 176.8149 110 I 3.7697 7.6722 121.2328 64.3159 37.1370 178.3875 111 L 4.0329 8.1867 120.3009 57.7204 41.3102 179.6879 112 S 4.1058 8.4879 114.3599 61.0888 62.9129 176.4417 113 A 4.0418 8.0422 124.5251 55.0049 18.1599 179.7802 114 V 3.4909 7.7635 116.4501 66.1492 31.5750 177.9962 115 A 3.9899 8.2552 120.8425 55.3098 18.1802 179.3956 116 Q 3.9109 8.3657 117.8646 59.1835 29.0300 178.3420 117 A 4.0094 8.1163 121.9333 55.1931 18.4130 179.4575 118 E 3.9420 8.2068 117.1376 59.5363 29.4933 179.9101 119 R 3.9242 7.8731 117.9180 59.3401 30.2369 178.9955 120 Q 4.0131 8.1075 117.9075 58.8478 28.5231 178.8843 121 R 3.8709 8.3496 120.0708 59.5645 30.0815 178.6472 122 I 3.7111 7.7130 119.4654 64.4474 37.1318 178.3965 123 L 3.9713 8.0190 119.7865 57.8076 41.5335 179.2821 124 E 4.0225 8.1862 119.1488 59.3177 29.3570 179.1182 125 R 4.0121 7.6343 117.3776 59.2135 30.1446 178.9319 126 T 4.0414 7.8351 115.2556 66.6571 68.6057 176.1709 127 N 4.4335 8.6150 118.0342 55.7937 39.0222 174.4556 128 E 4.2606 7.9009 123.2962 56.3098 29.8230 175.5043 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 A 8.12 4.33 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 3 L 8.24 4.87 0.00 1.66 1.46 0.96 0.37 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 4 F 9.72 5.10 0.00 2.87 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 5 G 9.34 4.61 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 0.00 0.00 0.00 6 Y 8.99 5.64 0.00 2.93 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 7 A 8.33 4.71 1.09 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 0.00 0.00 8 R 8.53 4.89 0.00 1.53 1.95 0.00 3.62 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 9 V 8.50 4.52 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 0.74 0.00 0.00 0.96 0.00 0.00 10 S 8.96 4.27 0.00 3.77 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 11 T 7.79 4.35 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 1.22 0.00 0.00 12 S 8.03 4.10 0.00 4.06 4.09 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 13 Q 8.66 3.79 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 14 Q 8.13 3.95 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 15 S 7.99 4.19 0.00 4.06 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 16 L 7.45 3.84 0.00 1.79 1.87 0.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.11 4.34 0.00 2.88 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 18 I 7.65 3.69 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 1.51 0.74 0.91 0.00 0.00 19 Q 8.27 3.91 0.00 2.16 2.06 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 2.21 2.41 0.00 20 V 8.01 3.53 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 1.03 0.00 0.00 0.94 0.00 0.00 21 R 8.15 3.82 0.00 2.03 2.07 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 22 A 8.16 4.03 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 23 L 8.29 3.93 0.00 1.87 1.73 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.17 4.31 0.00 1.92 1.84 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 25 D 8.08 4.43 0.00 2.81 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 26 A 7.73 4.41 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 27 G 7.78 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.86 3.81 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 0.95 0.00 0.00 1.02 0.00 0.00 29 K 8.43 4.02 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.36 7.81 30 A 8.75 3.92 1.25 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 0.00 0.00 31 N 8.00 4.52 0.00 2.76 2.88 0.00 0.00 5.86 7.66 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 32 R 8.18 4.62 0.00 1.74 1.74 0.00 2.21 0.00 0.00 2.85 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 33 I 7.15 4.86 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.89 0.00 0.00 34 F 9.51 5.09 0.00 3.24 3.27 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 35 T 8.48 5.64 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 1.15 0.00 0.00 36 D 8.32 4.92 0.00 2.65 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 37 K 8.70 4.65 0.00 1.61 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 38 A 9.25 4.21 1.29 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 0.00 0.00 0.00 *44 D 8.53 4.30 0.00 2.92 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 45 R 8.62 4.14 0.00 2.07 2.16 0.00 3.31 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 46 K 7.91 4.01 0.00 1.95 1.94 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 47 G 9.00 4.09 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 0.00 0.00 0.00 48 L 8.40 3.83 0.00 1.90 1.86 0.65 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.36 4.31 0.00 2.85 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 50 L 7.59 4.08 0.00 1.90 1.79 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.60 2.95 0.00 1.58 1.51 0.69 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.41 3.97 0.00 1.90 1.81 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.70 0.00 *54 K 8.10 4.33 0.00 1.62 2.14 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.62 7.81 55 V 6.88 3.91 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 -0.15 0.00 0.00 0.98 0.00 0.00 56 K 9.20 4.59 0.00 1.84 1.87 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.41 7.81 57 E 8.11 4.27 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 58 G 9.13 4.09 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 0.00 0.00 0.00 59 D 8.15 4.84 0.00 2.71 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 60 V 8.85 4.80 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 0.97 0.00 0.00 0.92 0.00 0.00 61 I 8.49 4.93 1.54 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.19 0.82 0.00 0.00 62 L 9.07 4.79 0.00 1.56 1.57 0.92 0.54 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 63 V 8.71 4.81 2.11 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 1.33 0.00 0.00 0.98 0.00 0.00 64 K 9.19 4.06 0.00 1.96 1.92 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.65 7.81 65 K 8.06 5.11 0.00 1.66 1.52 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.58 7.81 66 L 8.37 2.97 0.00 1.43 1.42 0.30 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.83 4.46 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.86 0.00 3.37 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.00 4.54 0.00 1.90 2.01 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.75 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 0.00 0.00 0.00 0.00 71 R 8.48 4.14 0.00 1.94 2.11 0.00 3.23 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 72 D 7.57 4.81 0.00 2.72 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 73 T 8.68 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 1.20 0.00 0.00 74 A 8.04 4.11 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 75 D 8.19 4.74 0.00 2.91 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 *77 I 7.91 4.12 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 1.31 0.53 0.92 0.00 0.00 78 Q 7.89 3.94 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 79 L 8.14 3.91 0.00 1.83 1.82 0.98 0.66 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 80 I 7.83 3.87 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.83 1.00 0.00 0.00 81 K 8.33 4.01 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 82 E 8.30 3.83 0.00 1.90 1.61 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 2.19 2.40 0.00 83 F 8.00 4.24 0.00 3.14 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 84 D 8.59 4.43 0.00 2.90 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 85 A 7.78 4.10 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 86 Q 7.76 4.10 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.71 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 87 G 8.14 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 0.00 0.00 0.00 88 V 7.99 4.84 2.36 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 0.65 0.00 0.00 0.98 0.00 0.00 89 S 8.59 4.89 0.00 3.91 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 90 I 8.45 4.62 1.52 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 0.74 0.46 0.06 0.00 0.00 91 R 8.67 4.71 0.00 1.78 1.67 0.00 3.11 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 92 F 8.81 5.09 0.00 3.12 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 93 I 9.12 3.70 1.92 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 1.31 0.87 0.94 0.00 0.00 94 D 8.36 4.50 0.00 2.77 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 95 D 7.67 4.42 0.00 2.78 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 96 G 8.14 3.89 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 0.00 0.00 0.00 97 I 7.51 4.62 2.00 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 0.88 0.97 0.00 0.00 98 S 8.38 5.16 0.00 3.86 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 99 T 8.48 4.05 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 1.32 0.00 0.00 100 D 7.99 4.71 0.00 2.81 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 0.00 101 S 7.56 4.66 0.00 3.93 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 0.00 102 Y 8.36 4.26 0.00 3.07 3.16 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 0.00 103 I 7.11 3.79 1.50 0.00 0.00 0.58 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 -0.36 0.79 0.00 0.00 104 G 7.65 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 0.00 0.00 0.00 105 K 7.88 4.16 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.72 1.69 7.81 *107 V 7.70 3.96 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 0.93 0.00 0.00 0.96 0.00 0.00 108 V 7.97 3.60 2.11 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 1.10 0.00 0.00 1.02 0.00 0.00 109 T 7.81 3.96 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 1.23 0.00 0.00 110 I 7.67 3.77 1.88 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 1.65 0.69 0.91 0.00 0.00 111 L 8.19 4.03 0.00 1.68 1.70 0.88 0.65 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 0.00 112 S 8.49 4.11 0.00 4.04 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 0.00 113 A 8.04 4.04 1.42 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 0.00 114 V 7.76 3.49 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 1.00 0.00 0.00 0.98 0.00 0.00 115 A 8.26 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 0.00 116 Q 8.37 3.91 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 117 A 8.12 4.01 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 0.00 118 E 8.21 3.94 0.00 2.21 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 0.00 2.33 2.35 0.00 119 R 7.87 3.92 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 120 Q 8.11 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 121 R 8.35 3.87 0.00 1.98 2.14 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 122 I 7.71 3.71 2.00 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 1.52 0.56 0.91 0.00 0.00 123 L 8.02 3.97 0.00 1.87 1.72 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.19 4.02 0.00 2.16 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 0.00 2.39 2.35 0.00 125 R 7.63 4.01 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 126 T 7.84 4.04 4.36 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 1.21 0.00 0.00 127 N 8.61 4.43 0.00 2.75 2.85 0.00 0.00 7.20 7.57 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 0.00 128 E 7.90 4.26 0.00 2.15 1.82 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 2.26 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.