NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5056 8.3349 115.2909 57.5142 63.5273 173.4457 2 L 3.7612 8.6105 128.0527 54.2080 41.8420 174.9622 3 S 4.6255 9.4206 119.3543 56.5022 64.1114 172.5815 4 I 4.6434 8.3064 127.7107 60.6789 41.0661 175.7870 5 G 4.2134 10.1710 109.0922 44.3325 0.0000 171.6544 6 R 4.7379 9.2922 116.9049 55.8999 33.1875 175.9807 7 T 4.5262 8.5469 107.8424 62.4068 70.4141 173.7680 8 C 5.2742 7.7184 122.3515 57.7027 34.3843 172.8226 9 W 4.9638 9.8146 125.9510 54.7351 32.4686 174.2290 10 A 5.2504 8.8535 124.8747 50.1845 21.4356 175.3201 11 I 4.4087 8.9215 123.2602 59.5111 38.8129 176.8101 12 A 4.0201 8.7887 130.8665 53.9502 18.8090 176.6311 13 E 4.3661 7.5110 115.8577 54.9243 31.7606 175.7148 14 G 2.7614 7.5513 106.9809 45.4504 0.0000 171.8507 15 Y 5.0634 7.9989 122.9180 57.6653 41.4527 173.1827 16 I 4.4255 8.0492 128.3283 58.7671 39.0259 174.0834 17 P 4.2421 0.0000 0.0000 62.5218 31.9539 175.7116 18 P 3.8818 0.0000 0.0000 62.1337 31.0270 176.2917 *31 E 4.8107 7.9274 115.2408 55.8669 32.5642 175.5990 32 T 4.9395 8.6038 117.4376 61.4998 72.1753 173.2509 33 V 4.3393 8.8214 127.4990 62.0318 33.0398 174.2381 34 C 4.8227 8.9386 127.0510 58.2685 30.0532 172.9149 35 I 4.7752 8.7397 125.0058 59.1804 40.2720 174.2556 36 L 4.8407 9.0488 128.2906 53.2484 44.9698 174.6006 37 N 5.0719 9.3832 125.6925 52.0806 39.5930 174.1538 38 A 4.4667 8.6478 126.0888 52.1326 19.8431 176.9385 39 G 3.9454 7.8230 104.2098 45.1119 0.0000 174.2889 40 D 4.8132 8.4442 117.5274 54.1453 40.9403 176.3157 41 E 4.7891 7.6339 119.7010 53.9097 32.5549 175.1948 42 D 4.7662 8.8871 125.0232 54.7291 42.1043 175.5151 43 A 4.5581 9.1129 124.2482 50.6994 21.3585 175.8144 44 H 5.1445 8.7244 120.9217 55.2516 29.9388 174.4345 45 V 4.5569 9.0383 124.9480 61.4469 33.5258 174.3817 46 E 5.2737 9.3779 127.1237 54.7030 32.6479 174.7411 47 I 5.0692 9.0034 125.7457 59.9806 39.8196 174.7222 48 T 5.1675 8.9378 123.2673 61.8884 71.5584 173.2289 49 I 4.8335 8.7621 126.4675 59.8913 39.7337 174.3384 50 Y 4.7409 9.1875 124.9457 56.6314 40.4394 174.3416 51 Y 5.2406 8.4211 118.7792 56.0961 41.5873 175.9269 52 S 4.4676 9.0986 114.3504 60.4470 63.6433 175.1205 53 D 4.8055 8.0556 117.2973 53.0925 40.6929 174.3192 54 K 4.6539 7.7897 117.1929 55.5071 35.4628 175.4015 55 E 4.1910 8.5416 119.2379 55.5950 29.9386 175.5744 56 P 4.4727 0.0000 0.0000 62.6727 32.2099 175.6599 57 V 4.3117 9.9758 119.7112 59.9255 33.4982 176.4263 58 G 3.7186 8.0020 113.1764 44.1548 0.0000 169.4294 59 P 4.7450 0.0000 0.0000 62.7977 32.3636 175.7564 60 Y 4.5356 9.3495 121.9983 57.3075 38.8373 174.6811 61 R 5.2912 8.4826 123.6453 54.8249 32.5426 175.3885 62 L 4.5066 8.3590 120.8957 55.5264 44.2967 173.4347 63 T 5.1110 8.5016 115.9433 61.7619 71.6459 173.7979 64 V 4.3030 8.7621 126.2396 60.4060 33.4384 173.4487 65 P 4.9590 0.0000 0.0000 61.9342 32.3174 176.1931 66 A 3.9806 8.6625 123.2465 53.4247 18.8113 178.0426 67 R 3.8284 8.3782 120.4310 57.3959 28.6793 176.0169 68 R 4.7929 7.7065 113.6686 54.8911 35.1615 174.8168 69 T 4.9883 8.2961 114.3938 60.7317 70.4043 173.0130 70 K 4.6095 8.7979 124.4177 55.5217 36.2045 173.8837 71 H 5.2728 8.8214 123.7869 54.0717 30.8393 173.8603 72 V 4.2832 8.8385 123.7420 61.0175 34.1525 174.6031 73 R 4.6647 8.3530 126.9949 54.9346 31.3191 177.4383 74 F 4.1453 8.8312 122.2660 60.5587 39.2143 177.1286 75 N 4.2787 8.3830 117.8949 56.5204 38.6587 174.8695 76 D 4.6605 7.7703 115.3480 54.4633 41.4744 176.4833 77 L 4.3671 7.6409 121.2892 54.5528 42.1300 177.3063 78 N 5.1430 8.7892 116.1272 52.5158 40.4913 173.4512 79 D 4.7811 8.1888 119.8027 51.7467 42.5504 174.4158 80 P 4.2745 0.0000 0.0000 64.4582 31.9728 176.0492 81 A 4.4378 7.1164 118.2625 50.7677 21.4920 174.1856 82 P 4.9787 0.0000 0.0000 61.8908 32.1650 176.2407 83 I 4.1544 8.0146 121.7670 59.4272 37.8365 174.4937 84 P 4.3078 0.0000 0.0000 63.2826 31.5059 175.9822 85 H 4.4768 8.6463 118.3042 55.4883 29.6076 173.6916 86 D 4.1254 9.2736 117.1851 55.4227 39.7865 173.3357 87 T 4.8310 7.3514 111.4231 61.2476 72.1363 173.0674 88 D 5.1536 8.9898 126.4147 54.5256 41.7126 175.4452 89 F 5.0391 8.3835 117.0293 56.0958 41.6675 172.5103 90 A 4.7613 8.9127 119.4147 50.7891 23.1137 175.1249 91 S 5.3677 9.3892 113.0016 56.9578 67.4523 173.0928 92 V 4.9489 9.0943 120.3964 61.2633 34.5540 174.1029 93 I 5.0820 9.6055 129.5620 59.8033 39.6289 174.5446 94 Q 5.3096 9.3143 126.3731 54.2188 32.0826 174.7511 95 S 5.2983 9.3857 116.8354 55.3075 65.3962 173.6826 96 N 4.6061 9.0926 122.1926 55.1996 37.6462 175.3589 97 V 4.5724 7.3982 110.7251 58.0844 35.2013 173.4386 98 P 4.7309 0.0000 0.0000 63.1562 31.7984 175.7784 99 I 4.9047 9.1085 116.2508 59.4119 42.0375 173.7323 100 V 4.5196 8.5614 122.6420 61.0146 33.7590 174.4425 101 V 4.3238 5.7892 126.4545 60.7492 34.0987 174.1153 102 Q 4.5154 9.0551 128.5487 54.4241 32.3659 173.2291 103 H 4.8963 8.8292 125.6478 56.1120 31.0960 174.8918 104 T 3.7957 8.6498 122.3647 64.1318 69.0335 172.0680 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 S 8.33 4.51 0.00 3.85 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 2 L 8.61 3.76 0.00 1.75 1.62 0.93 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 3 S 9.42 4.63 0.00 3.80 3.77 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 0.00 0.00 0.00 0.00 4 I 8.31 4.64 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 1.37 0.81 0.96 0.00 0.00 5 G 10.17 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 0.00 0.00 0.00 0.00 6 R 9.29 4.74 0.00 1.64 1.86 0.00 2.30 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.68 0.00 7 T 8.55 4.53 4.46 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 1.35 0.00 0.00 8 C 7.72 5.27 0.00 2.94 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 9 W 9.81 4.96 0.00 3.25 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 10 A 8.85 5.25 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 11 I 8.92 4.41 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.80 0.00 0.00 12 A 8.79 4.02 1.22 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 0.00 0.00 13 E 7.51 4.37 0.00 1.85 1.67 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 2.14 2.26 0.00 14 G 7.55 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 0.00 0.00 0.00 15 Y 8.00 5.06 0.00 2.89 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 16 I 8.05 4.43 1.64 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 1.47 0.94 0.64 0.00 0.00 17 P 0.00 4.24 0.00 2.25 2.26 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 18 P 0.00 3.88 0.00 2.15 2.28 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 *31 E 7.93 4.81 0.00 2.23 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 2.33 2.49 0.00 32 T 8.60 4.94 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 1.11 0.00 0.00 33 V 8.82 4.34 1.80 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 0.81 0.00 0.00 0.34 0.00 0.00 34 C 8.94 4.82 0.00 2.68 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 35 I 8.74 4.78 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.68 0.82 0.00 0.00 36 L 9.05 4.84 0.00 1.62 1.40 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.38 5.07 0.00 2.77 2.92 0.00 0.00 6.71 7.70 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 38 A 8.65 4.47 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 39 G 7.82 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 40 D 8.44 4.81 0.00 2.72 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 41 E 7.63 4.79 0.00 1.92 1.76 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 2.13 2.28 0.00 42 D 8.89 4.77 0.00 2.59 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 43 A 9.11 4.56 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 44 H 8.72 5.14 0.00 3.11 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.04 4.56 2.24 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 0.99 0.00 0.00 0.96 0.00 0.00 46 E 9.38 5.27 0.00 1.96 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 2.25 2.30 0.00 47 I 9.00 5.07 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 1.03 0.00 0.00 48 T 8.94 5.17 4.43 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 0.87 0.00 0.00 49 I 8.76 4.83 1.87 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 1.16 0.67 0.33 0.00 0.00 50 Y 9.19 4.74 0.00 2.88 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 51 Y 8.42 5.24 0.00 3.07 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 52 S 9.10 4.47 0.00 4.04 4.07 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 53 D 8.06 4.81 0.00 2.76 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 54 K 7.79 4.65 0.00 1.81 1.75 0.00 0.99 0.00 0.00 1.51 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.45 7.81 55 E 8.54 4.19 0.00 2.00 1.94 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 2.34 2.26 0.00 56 P 0.00 4.47 0.00 1.60 0.93 0.00 3.71 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 1.84 1.77 0.00 57 V 9.98 4.31 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 1.05 0.00 0.00 1.07 0.00 0.00 58 G 8.00 3.72 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 0.00 0.00 0.00 59 P 0.00 4.74 0.00 2.12 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 60 Y 9.35 4.54 0.00 2.93 2.95 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 61 R 8.48 5.29 0.00 1.69 1.85 0.00 3.24 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 62 L 8.36 4.51 0.00 1.75 1.73 0.91 0.67 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 63 T 8.50 5.11 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 1.33 0.00 0.00 64 V 8.76 4.30 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 0.96 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.96 0.00 1.98 1.98 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 66 A 8.66 3.98 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 67 R 8.38 3.83 0.00 1.97 2.00 0.00 3.11 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 68 R 7.71 4.79 0.00 1.74 1.75 0.00 3.23 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 69 T 8.30 4.99 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 1.18 0.00 0.00 70 K 8.80 4.61 0.00 1.82 1.54 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.40 7.81 71 H 8.82 5.27 0.00 2.98 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.84 4.28 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 0.78 0.00 0.00 0.84 0.00 0.00 73 R 8.35 4.66 0.00 2.05 1.83 0.00 3.19 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 74 F 8.83 4.15 0.00 3.22 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 75 N 8.38 4.28 0.00 2.69 2.89 0.00 0.00 6.97 8.47 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 76 D 7.77 4.66 0.00 2.85 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 77 L 7.64 4.37 0.00 1.80 1.38 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.79 5.14 0.00 2.82 2.91 0.00 0.00 5.89 8.06 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 79 D 8.19 4.78 0.00 2.66 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 80 P 0.00 4.27 0.00 2.04 1.96 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 81 A 7.12 4.44 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 82 P 0.00 4.98 0.00 2.08 2.03 0.00 3.75 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.01 4.15 1.59 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.27 0.24 0.00 0.00 84 P 0.00 4.31 0.00 2.16 2.02 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 85 H 8.65 4.48 0.00 3.08 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.27 4.13 0.00 2.74 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 87 T 7.35 4.83 4.56 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 1.43 0.00 0.00 88 D 8.99 5.15 0.00 2.68 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 89 F 8.38 5.04 0.00 2.68 2.79 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 0.00 0.00 0.00 90 A 8.91 4.76 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 91 S 9.39 5.37 0.00 4.11 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 92 V 9.09 4.95 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 1.13 0.00 0.00 0.95 0.00 0.00 93 I 9.61 5.08 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.97 0.00 0.00 94 Q 9.31 5.31 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 95 S 9.39 5.30 0.00 3.88 3.83 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 96 N 9.09 4.61 0.00 2.77 2.96 0.00 0.00 5.86 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 97 V 7.40 4.57 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 0.73 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.73 0.00 1.99 2.18 0.00 3.65 0.00 0.00 3.73 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 99 I 9.11 4.90 1.85 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 1.36 1.48 1.00 0.00 0.00 100 V 8.56 4.52 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 0.80 0.00 0.00 1.02 0.00 0.00 101 V 5.79 4.32 0.67 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 0.59 0.00 0.00 0.30 0.00 0.00 102 Q 9.06 4.52 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 103 H 8.83 4.90 0.00 3.25 3.23 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 0.00 104 T 8.65 3.80 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.