NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2325 8.4293 121.4667 56.2832 30.7889 174.9189 5 T 4.1304 8.0916 113.3291 59.9250 70.5043 172.8004 6 I 4.0770 7.9549 123.4585 59.6050 39.3767 177.5113 7 N 4.5350 8.4723 125.1724 51.8177 38.4079 174.8387 8 L 3.8456 8.1775 127.5818 57.6486 41.9075 179.0578 9 K 3.8645 7.9774 118.4682 59.7873 32.0608 178.2079 10 Q 3.9054 8.3672 118.0941 59.6209 28.4599 178.6510 11 H 3.9858 8.2420 116.4589 59.0486 29.1030 177.5673 12 L 4.1267 7.9637 120.2709 57.3732 41.3153 179.1865 13 A 4.0301 7.7489 119.8325 54.5776 18.3555 178.6261 14 A 4.3905 7.4985 116.9003 51.7937 18.5541 177.0319 15 I 4.2444 7.2402 119.4909 59.7775 38.2362 175.6463 16 K 4.2450 8.5021 124.6859 56.5964 33.1547 176.7959 17 E 4.5993 7.7811 117.4850 55.1619 31.0502 174.9375 18 Y 4.4570 8.4645 118.2805 57.3741 39.7881 175.6245 19 W 3.6052 8.5925 119.9425 57.9521 27.2552 174.9303 20 Q 4.5711 7.3350 117.7522 53.4860 29.5793 173.9328 21 P 4.6007 0.0000 0.0000 62.1432 32.8446 175.5408 22 E 4.4040 9.0608 124.4986 55.2696 31.0134 174.7107 23 I 4.8734 8.2990 127.8466 59.8255 39.1475 175.0544 24 I 4.5989 8.8273 127.5271 59.5271 40.4240 174.0416 25 N 5.4451 8.9003 124.0474 51.6265 40.6323 174.6424 26 R 4.5326 8.9656 122.4890 55.2787 33.3601 175.3936 27 H 3.6811 8.4939 123.2898 57.2612 28.0471 176.7247 28 G 3.5772 8.6139 116.4564 47.0966 0.0000 171.9473 29 F 5.2124 8.1886 119.3093 55.5525 42.1820 174.4097 30 Q 5.0856 9.3673 123.0384 54.4858 31.7840 173.9839 31 F 5.2548 9.6195 125.4931 56.1464 42.1588 174.4219 32 H 5.2774 9.1867 119.0918 54.0641 32.2779 172.4783 33 L 5.1507 9.0999 124.2223 53.2771 43.7937 176.0314 34 V 4.6691 8.3508 116.4453 59.2441 36.1789 174.8300 35 K 4.8623 8.1414 120.9835 54.6738 34.6659 175.1223 36 L 3.7386 8.5019 125.0324 52.6365 43.9191 175.3671 37 L 4.8780 8.2607 123.6205 53.5292 45.4143 177.9360 38 G 3.8360 8.7739 113.3464 46.4657 0.0000 172.6101 39 D 5.0547 8.3173 123.3079 53.4282 41.8225 175.0612 40 Y 3.9566 8.0692 118.4030 56.4840 38.4843 175.1847 41 G 3.9549 7.8865 105.9602 44.1761 0.0000 173.7428 42 W 4.5375 8.3893 117.8450 56.2483 30.2407 175.9673 43 H 4.8846 8.7870 116.8535 54.5388 31.6856 174.1552 44 T 4.6079 8.1940 114.9932 61.3290 68.6815 173.0720 45 H 4.0208 7.9463 115.1422 56.7697 28.8298 176.0403 46 G 4.3217 8.3268 114.3831 44.6727 0.0000 171.3989 47 Y 4.0866 8.2660 124.8913 61.0099 39.7537 175.9598 48 S 4.9327 7.7144 114.4092 56.7159 66.6027 175.0042 49 D 4.9069 8.8227 120.1407 55.1058 41.6428 175.8199 50 K 4.8768 8.6561 117.9201 54.8107 36.6648 175.7304 51 V 4.7277 8.3912 122.2151 61.2768 34.4305 174.4989 52 L 5.1800 8.7730 125.4965 53.0680 44.7115 175.9185 53 F 4.8619 9.7623 123.5654 55.5709 41.4370 175.1524 54 A 4.5288 8.8253 127.5438 51.4762 18.2287 177.7435 55 V 3.8709 8.8849 123.1596 65.7065 32.6867 176.1187 56 E 4.5966 8.0901 120.9477 56.0138 33.0420 176.5711 57 G 4.0712 9.1441 116.7186 45.3654 0.0000 171.3855 58 D 5.3974 8.4796 116.2803 51.2350 44.6263 174.2503 *60 A 4.2009 7.9916 121.0513 52.1227 20.6887 175.6870 61 V 4.4681 7.7733 117.0645 61.4279 34.5915 174.2203 62 D 4.9080 8.6058 128.3748 54.1986 42.3382 175.7223 63 F 5.5211 8.9770 119.7930 55.4159 42.3693 176.5583 64 A 4.1396 9.4186 122.5548 54.5582 18.2945 178.0008 65 D 4.7359 8.3862 114.3301 52.7735 39.5842 177.8390 66 G 4.0061 8.4815 106.9531 45.9743 0.0000 174.8678 67 G 4.0178 9.0586 110.1322 46.3280 0.0000 173.4289 68 S 5.3090 7.8759 113.3627 57.2175 66.3532 173.4574 *70 T 4.1410 8.2274 116.3245 64.4782 69.3035 174.2483 71 I 4.4306 7.7384 125.0071 59.1671 38.0985 175.0586 72 R 4.3870 8.8343 123.5445 55.3045 30.8284 175.8691 73 E 3.9357 8.9588 120.9839 57.9165 29.5164 177.7223 74 G 4.0303 9.1359 115.1744 45.3237 0.0000 172.7864 75 E 4.5598 8.1091 120.4917 54.6401 32.0410 174.5431 *77 A 4.4672 8.1643 120.2810 52.6519 20.3767 176.4723 78 V 4.7612 8.2273 117.8660 59.8127 34.8028 175.1770 79 V 4.5124 8.5655 123.5112 60.2579 33.2879 173.1201 80 P 4.8686 0.0000 0.0000 62.6344 31.5096 176.2667 81 K 3.9716 9.6146 122.3961 57.2801 33.8618 176.3033 82 S 4.2549 8.8015 112.6337 59.4054 60.4476 172.5457 83 V 4.5027 7.3936 118.7381 60.8836 33.6059 175.0968 84 S 4.7620 9.1544 123.1387 59.6541 63.0799 172.7444 85 H 4.4070 8.6803 118.5312 55.0028 32.2901 172.7847 86 R 4.3341 7.1893 120.3964 53.5811 32.1900 172.6464 87 P 5.0677 0.0000 0.0000 62.6613 32.7142 175.2827 88 R 4.9562 8.3646 117.6510 56.2328 33.2297 174.3676 89 S 4.2907 8.9391 113.2773 57.6386 64.5016 174.6210 90 E 3.9892 9.1998 129.7125 59.0513 29.4527 177.1127 91 N 4.8879 8.1752 111.0045 52.0626 41.1194 174.5192 92 G 4.0705 8.6865 107.3963 45.7587 0.0000 172.9994 93 C 5.0157 9.2550 123.8656 57.7144 35.7332 172.9509 94 S 4.8847 8.7595 121.6249 57.2505 64.0226 172.7356 95 L 5.1118 8.9062 128.1434 53.2539 44.5340 175.0760 96 V 4.9153 8.8290 125.3369 61.0445 34.2467 173.9661 97 L 5.3618 8.8653 128.9628 53.3601 45.5575 174.9736 98 I 5.0004 8.4268 124.8933 59.4767 40.7950 174.3140 99 E 5.0021 9.0233 124.0060 53.9631 33.6897 174.7775 100 L 4.3061 8.6218 122.5939 55.5807 42.3554 178.2915 101 S 4.2470 8.1693 120.5350 58.9993 61.8113 172.1720 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 4 E 8.43 4.23 0.00 1.90 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 2.16 2.32 0.00 5 T 8.09 4.13 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 1.16 0.00 0.00 6 I 7.95 4.08 1.50 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.33 0.54 0.00 0.00 7 N 8.47 4.53 0.00 2.72 2.81 0.00 0.00 7.10 6.66 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 8 L 8.18 3.85 0.00 1.69 1.69 0.77 0.40 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 9 K 7.98 3.86 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 Q 8.37 3.91 0.00 2.40 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 11 H 8.24 3.99 0.00 3.08 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.96 4.13 0.00 2.01 1.66 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.75 4.03 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 14 A 7.50 4.39 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 15 I 7.24 4.24 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.79 0.00 0.00 16 K 8.50 4.25 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 17 E 7.78 4.60 0.00 1.95 1.93 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 2.24 2.28 0.00 18 Y 8.46 4.46 0.00 3.33 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 19 W 8.59 3.61 0.00 3.12 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 20 Q 7.34 4.57 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 21 P 0.00 4.60 0.00 1.88 1.99 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 22 E 9.06 4.40 0.00 1.99 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 0.00 2.25 2.27 0.00 23 I 8.30 4.87 1.83 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 0.96 0.56 0.88 0.00 0.00 24 I 8.83 4.60 1.92 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 1.20 0.73 0.86 0.00 0.00 25 N 8.90 5.45 0.00 2.59 2.76 0.00 0.00 6.87 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 26 R 8.97 4.53 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 27 H 8.49 3.68 0.00 3.33 2.74 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.19 5.21 0.00 3.17 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 5.09 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 31 F 9.62 5.25 0.00 2.93 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 32 H 9.19 5.28 0.00 3.05 3.17 0.00 5.58 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 33 L 9.10 5.15 0.00 1.54 1.55 0.96 0.55 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 34 V 8.35 4.67 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 0.62 0.00 0.00 0.86 0.00 0.00 35 K 8.14 4.86 0.00 0.88 1.25 0.00 1.19 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.13 7.81 36 L 8.50 3.74 0.00 1.29 1.13 0.23 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.26 4.88 0.00 1.01 1.11 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.77 3.84 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 0.00 0.00 0.00 39 D 8.32 5.05 0.00 2.73 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 40 Y 8.07 3.96 0.00 1.43 2.38 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 41 G 7.89 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 42 W 8.39 4.54 0.00 3.19 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 43 H 8.79 4.88 0.00 2.90 2.84 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.19 4.61 4.32 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 1.26 0.00 0.00 45 H 7.95 4.02 0.00 3.36 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.33 4.32 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 0.00 47 Y 8.27 4.09 0.00 2.99 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 48 S 7.71 4.93 0.00 3.37 3.53 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 49 D 8.82 4.91 0.00 2.58 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 50 K 8.66 4.88 0.00 1.68 1.61 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.34 7.81 51 V 8.39 4.73 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 0.78 0.00 0.00 0.97 0.00 0.00 52 L 8.77 5.18 0.00 1.50 1.49 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.76 4.86 0.00 2.85 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 54 A 8.83 4.53 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 55 V 8.88 3.87 2.21 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 0.72 0.00 0.00 1.01 0.00 0.00 56 E 8.09 4.60 0.00 2.03 1.70 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 2.27 2.32 0.00 57 G 9.14 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 0.00 0.00 0.00 58 D 8.48 5.40 0.00 2.63 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 *60 A 7.99 4.20 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 61 V 7.77 4.47 1.93 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 0.46 0.00 0.00 0.85 0.00 0.00 62 D 8.61 4.91 0.00 2.16 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 63 F 8.98 5.52 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 64 A 9.42 4.14 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 65 D 8.39 4.74 0.00 2.83 2.82 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 66 G 8.48 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 67 G 9.06 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 0.00 0.00 0.00 68 S 7.88 5.31 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 *70 T 8.23 4.14 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 71 I 7.74 4.43 1.85 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 1.39 1.45 0.86 0.00 0.00 72 R 8.83 4.39 0.00 2.12 1.84 0.00 3.21 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 73 E 8.96 3.94 0.00 1.90 1.89 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 2.34 2.33 0.00 74 G 9.14 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 0.00 0.00 0.00 75 E 8.11 4.56 0.00 2.07 1.84 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 2.22 2.37 0.00 *77 A 8.16 4.47 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 78 V 8.23 4.76 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 0.70 0.00 0.00 0.95 0.00 0.00 79 V 8.57 4.51 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 0.82 0.00 0.00 0.92 0.00 0.00 80 P 0.00 4.87 0.00 2.16 2.07 0.00 4.03 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 81 K 9.61 3.97 0.00 1.88 2.21 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.50 7.81 82 S 8.80 4.25 0.00 4.06 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 83 V 7.39 4.50 2.40 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 1.10 0.00 0.00 1.03 0.00 0.00 84 S 9.15 4.76 0.00 4.05 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 85 H 8.68 4.41 0.00 2.66 3.03 0.00 5.26 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.19 4.33 0.00 0.67 0.66 0.00 2.96 0.00 0.00 2.95 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.20 0.00 87 P 0.00 5.07 0.00 2.16 2.00 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.90 0.00 88 R 8.36 4.96 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 89 S 8.94 4.29 0.00 3.88 3.86 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 90 E 9.20 3.99 0.00 1.96 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 2.31 2.42 0.00 91 N 8.18 4.89 0.00 2.69 2.76 0.00 0.00 7.16 7.65 0.00 0.00 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 G 8.69 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 0.00 0.00 0.00 93 C 9.26 5.02 0.00 3.08 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.76 4.88 0.00 3.88 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 95 L 8.91 5.11 0.00 1.64 1.40 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.83 4.92 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 0.98 0.00 0.00 0.91 0.00 0.00 97 L 8.87 5.36 0.00 1.75 1.40 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.43 5.00 1.78 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 0.86 0.52 0.39 0.00 0.00 99 E 9.02 5.00 0.00 1.92 1.93 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 2.09 2.19 0.00 100 L 8.62 4.31 0.00 1.44 1.44 0.76 0.82 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 0.00 101 S 8.17 4.25 0.00 3.42 3.64 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 * Residues marked with a * may have inaccurate shift predictions.