NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3854 8.3049 118.2002 54.8890 32.5435 174.6648 2 R 4.0449 7.7109 120.5349 55.5630 30.5722 174.9788 3 H 5.0761 9.3698 121.4431 54.0517 31.5269 174.9343 4 I 4.0437 8.3867 122.7919 61.6204 37.8325 176.0767 5 S 4.7931 10.2704 118.8421 56.3357 64.8589 173.6640 6 P 4.3166 0.0000 0.0000 65.7571 30.4768 178.8865 7 E 4.0493 7.7980 117.3543 59.2114 29.2967 179.1182 8 E 4.0812 8.2305 118.8877 59.0710 29.6208 178.8978 9 L 4.0116 7.8704 119.9832 58.2192 42.1783 178.9720 10 I 3.7888 7.7093 119.3477 64.3287 37.1138 178.3208 11 A 4.0570 7.7899 120.4962 54.7986 18.2374 179.7703 12 L 3.8875 7.9327 117.7939 58.2171 41.9120 178.7049 13 H 4.2169 8.6620 119.6136 58.8663 29.5651 176.5774 14 D 4.3509 8.5681 119.1967 57.6384 40.8280 178.6199 15 A 4.1314 7.6786 119.2922 55.1729 18.4790 178.7854 16 N 4.7907 7.8124 111.8650 53.5869 39.1516 175.7775 17 I 3.9337 7.0679 121.5274 64.3737 36.3505 174.0106 18 S 4.2848 8.4786 120.3819 57.5258 60.3222 169.9117 *29 P 4.1364 0.0000 0.0000 63.0703 33.1784 175.2237 30 G 4.3936 8.9593 114.3852 47.5868 0.0000 176.9464 31 R 3.8778 7.9452 121.5525 60.6742 29.6049 180.5655 32 A 4.3644 8.1368 123.8305 55.6250 18.4326 180.0485 *33 E 3.9325 8.1796 116.0861 61.2539 29.8836 181.1935 34 A 4.1920 7.9030 121.6549 54.8950 18.4796 179.4397 35 I 3.6054 7.8987 118.4389 64.9460 37.2902 178.5324 36 I 3.8296 7.8072 119.8120 64.3829 36.9744 178.3470 37 G 3.8162 8.2349 108.8747 48.8628 0.0000 176.1810 38 R 3.9176 8.4398 123.8870 60.9047 29.3218 181.2059 39 V 3.5564 7.6724 118.9016 65.7598 31.4040 178.2740 40 Q 3.8131 7.9804 117.5164 58.8003 28.6065 178.3231 41 A 3.6459 7.8723 124.2175 55.6852 18.3251 180.3807 *42 R 3.8592 7.7612 119.2070 61.6962 29.4668 181.0286 43 V 3.7257 7.9097 119.5043 65.4612 31.4501 178.0137 44 A 3.9076 8.0108 120.8786 55.2479 18.1965 178.8459 45 Y 4.4432 7.3477 112.6750 58.3264 38.7159 175.9572 46 E 4.3886 8.5493 121.8838 56.0136 30.2777 176.5749 47 E 3.7540 7.5956 113.9048 56.7823 27.2339 179.9846 48 I 4.2362 8.2061 121.4932 60.9856 38.2773 176.2915 49 T 4.3430 8.4072 119.5906 62.9434 69.3857 174.5639 50 D 4.5141 7.9174 121.1880 53.7689 42.4519 176.4505 51 L 3.8391 8.6153 127.0853 58.1653 41.5491 179.6586 52 F 4.2409 7.9886 117.0286 60.3460 38.9294 177.4409 53 E 4.0155 8.5202 118.1941 59.4040 29.2904 179.5989 54 V 3.5654 8.1034 118.5110 66.0709 31.7197 177.8934 55 S 4.2328 8.5894 113.1316 61.5575 62.1820 176.0713 56 A 4.1245 8.4627 123.5987 55.3784 18.0541 179.8013 57 T 3.8502 7.9300 114.5286 66.8351 68.4733 176.4772 58 Y 4.0274 8.0671 118.7274 60.9270 37.9370 178.2753 59 L 3.9940 7.9453 120.9605 58.3630 42.1971 179.2195 60 V 3.6111 7.8268 117.6452 66.1088 31.5384 177.9078 61 A 4.0839 8.0626 120.5078 55.3466 18.1019 179.8367 62 T 4.0936 8.2956 114.2436 66.7202 68.5723 176.9757 63 A 4.0141 8.6101 123.1660 55.2536 16.9000 179.9840 64 R 4.3371 8.2874 116.7946 59.4011 30.0255 179.4868 65 G 3.7973 8.1519 104.5598 47.1577 0.0000 174.3066 66 Y 4.4796 8.0162 117.2670 59.2508 39.6055 178.0231 67 I 3.7683 7.8919 120.2280 63.7033 38.6073 177.4072 68 F 4.6745 6.7182 117.2886 56.2536 37.5186 174.7578 69 N 4.6767 7.5686 121.6526 52.6855 40.1676 175.2537 70 D 4.4525 8.5950 118.4869 56.9844 40.8133 178.6988 71 A 3.9285 7.9473 121.3121 55.1402 18.5858 178.5929 72 N 4.2620 8.3050 114.7812 57.1298 38.9168 177.0364 73 K 4.1015 8.3240 121.9716 60.2250 32.1915 180.3296 74 R 4.0687 8.0223 120.7343 61.3599 29.2001 180.7739 75 T 4.0552 8.1685 115.6219 66.6500 68.2908 176.3917 76 A 4.0251 8.0221 122.6157 55.2309 18.4142 179.5224 77 L 3.9295 8.0033 118.6728 58.4532 42.1588 178.9639 78 N 4.4487 8.2944 116.6251 55.9730 38.3325 177.6491 79 S 4.1270 8.2100 115.9797 61.2709 63.2117 176.3000 80 A 4.0128 7.7385 124.4223 55.0523 18.1387 179.6595 81 L 3.9634 7.9519 117.3412 57.5508 41.8349 179.4456 82 L 3.9661 8.2479 120.7427 57.8465 41.8047 178.6349 83 F 4.0964 8.4662 120.8481 61.3349 39.3451 177.1618 84 L 3.7290 7.8737 118.0590 57.7848 41.3427 179.7387 85 R 4.0945 7.7827 119.3801 58.7455 29.7927 179.2695 86 R 3.9503 7.6317 116.0975 58.0131 29.9340 177.7139 87 N 4.8164 6.8909 114.9088 52.2601 39.3240 174.7867 88 G 3.8081 7.8210 107.1384 46.4914 0.0000 174.0470 89 V 4.2434 7.5075 119.3464 60.6370 32.9451 174.9516 90 Q 4.2657 8.5349 126.1895 55.5466 29.4528 175.6062 91 V 3.7667 7.7824 114.6987 59.4852 35.2668 174.5370 92 F 4.8812 7.3020 113.8341 55.7199 40.0158 173.4636 93 D 4.5329 8.7812 122.1626 54.4243 41.9310 175.5744 94 S 4.7782 8.3907 119.4793 55.5681 65.2135 172.7319 95 P 4.3023 0.0000 0.0000 65.8941 31.0932 178.0002 96 E 4.1089 8.1554 118.7730 58.7914 29.4505 178.5116 97 L 3.9793 8.0673 119.2788 57.6002 41.2975 178.7514 98 A 3.9616 7.5196 121.1403 55.6631 18.3572 179.4044 99 D 4.3784 8.0172 116.0675 57.3391 40.8410 178.8043 100 L 3.9774 7.7412 120.8996 58.2422 42.0618 179.3107 101 T 3.8755 7.7603 115.7333 66.4774 68.4842 177.2839 102 V 3.5785 7.5011 119.9877 64.5005 31.4999 178.6251 103 G 3.5602 8.1318 106.2202 47.5396 0.0000 175.5704 104 A 4.2580 8.0046 124.1209 54.1755 18.2283 179.5870 105 A 3.7147 7.4578 118.5137 55.0286 18.4537 179.2009 106 T 4.1929 7.4798 105.4047 61.7917 69.4175 175.9697 107 G 3.9083 7.4764 110.2308 45.6350 0.0000 174.3127 108 E 4.0342 8.0469 120.7009 57.8826 29.9324 176.8284 109 I 4.5118 7.7790 120.1301 58.7297 39.8998 175.3093 110 S 4.2911 8.4332 120.4792 57.8771 65.0832 175.4229 111 V 3.5990 8.4117 123.7256 65.6544 30.7828 178.8267 112 S 4.1164 7.9701 114.8706 61.0915 62.7367 176.3588 113 S 4.0898 7.8576 115.7379 60.9250 62.2137 176.1207 114 V 3.4762 7.8900 120.8415 65.8835 31.2702 177.6681 115 A 3.9784 8.0866 120.5041 55.4850 18.2402 178.9974 116 D 4.3470 8.1979 117.2941 58.2196 40.9091 179.6211 117 T 3.8449 7.7723 115.7733 66.6135 68.4280 176.8516 118 L 3.9173 7.8915 120.9931 57.6358 41.6179 179.5113 119 R 3.9706 8.4034 119.2568 59.1712 29.7629 178.5970 120 R 3.8603 7.7761 118.0222 59.2826 30.1673 178.2192 121 L 3.9835 7.4855 117.7798 57.1213 41.6186 177.5289 122 Y 4.9722 7.6674 112.2406 57.3611 39.7955 175.9348 123 G 3.8006 8.2465 114.3142 45.7777 0.0000 173.5616 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 M 8.30 4.39 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 2 R 7.71 4.04 0.00 1.70 1.81 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 3 H 9.37 5.08 0.00 3.22 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.39 4.04 1.95 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 1.68 0.84 1.02 0.00 0.00 5 S 10.27 4.79 0.00 4.14 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 6 P 0.00 4.32 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 7 E 7.80 4.05 0.00 1.91 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 2.34 2.40 0.00 8 E 8.23 4.08 0.00 2.22 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 2.34 2.32 0.00 9 L 7.87 4.01 0.00 1.77 1.68 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.71 3.79 1.89 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 1.47 0.84 0.99 0.00 0.00 11 A 7.79 4.06 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 12 L 7.93 3.89 0.00 1.97 1.75 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.66 4.22 0.00 3.20 3.48 0.00 5.85 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 14 D 8.57 4.35 0.00 2.77 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 15 A 7.68 4.13 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 16 N 7.81 4.79 0.00 2.73 2.87 0.00 0.00 7.10 6.92 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 17 I 7.07 3.93 1.99 0.00 0.00 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 1.27 0.41 0.89 0.00 0.00 18 S 8.48 4.28 0.00 4.05 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 *29 P 0.00 4.14 0.00 2.16 2.10 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 30 G 8.96 4.39 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 0.00 31 R 7.95 3.88 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 32 A 8.14 4.36 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 *33 E 8.18 3.93 0.00 1.99 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 2.31 1.95 0.00 34 A 7.90 4.19 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 35 I 7.90 3.61 2.11 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 1.55 0.99 1.01 0.00 0.00 36 I 7.81 3.83 1.91 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 1.80 1.27 0.97 0.00 0.00 37 G 8.23 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 0.00 0.00 0.00 38 R 8.44 3.92 0.00 1.78 1.97 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 39 V 7.67 3.56 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 0.05 0.00 0.00 0.65 0.00 0.00 40 Q 7.98 3.81 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 41 A 7.87 3.65 1.11 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 0.00 0.00 *42 R 7.76 3.86 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 43 V 7.91 3.73 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 0.99 0.00 0.00 0.87 0.00 0.00 44 A 8.01 3.91 1.24 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 0.00 0.00 45 Y 7.35 4.44 0.00 2.97 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 46 E 8.55 4.39 0.00 2.21 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 0.00 2.56 2.49 0.00 47 E 7.60 3.75 0.00 2.06 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 0.00 2.18 2.13 0.00 48 I 8.21 4.24 1.86 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 1.20 0.99 0.92 0.00 0.00 49 T 8.41 4.34 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 50 D 7.92 4.51 0.00 2.89 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 51 L 8.62 3.84 0.00 1.30 1.18 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.99 4.24 0.00 3.33 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 53 E 8.52 4.02 0.00 2.33 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 0.00 2.33 2.19 0.00 54 V 8.10 3.57 2.25 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 1.12 0.00 0.00 0.99 0.00 0.00 55 S 8.59 4.23 0.00 3.88 4.04 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 56 A 8.46 4.12 1.44 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 0.00 0.00 57 T 7.93 3.85 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 1.09 0.00 0.00 58 Y 8.07 4.03 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.95 3.99 0.00 2.02 1.85 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.83 3.61 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 1.00 0.00 0.00 1.00 0.00 0.00 61 A 8.06 4.08 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 62 T 8.30 4.09 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 63 A 8.61 4.01 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 64 R 8.29 4.34 0.00 1.99 2.14 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 65 G 8.15 3.80 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 0.00 0.00 0.00 66 Y 8.02 4.48 0.00 3.06 2.97 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 0.00 0.00 0.00 67 I 7.89 3.77 1.50 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 1.40 0.37 0.24 0.00 0.00 68 F 6.72 4.67 0.00 3.07 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 69 N 7.57 4.68 0.00 2.93 3.15 0.00 0.00 6.13 8.07 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 70 D 8.60 4.45 0.00 2.72 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 71 A 7.95 3.93 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 72 N 8.31 4.26 0.00 2.84 3.11 0.00 0.00 7.07 6.30 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 73 K 8.32 4.10 0.00 2.08 1.86 0.00 1.70 0.00 0.00 2.08 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 74 R 8.02 4.07 0.00 1.85 1.93 0.00 3.27 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 75 T 8.17 4.06 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 1.30 0.00 0.00 76 A 8.02 4.03 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 77 L 8.00 3.93 0.00 1.88 1.68 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.29 4.45 0.00 3.00 2.86 0.00 0.00 6.81 7.64 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 79 S 8.21 4.13 0.00 4.09 4.14 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 0.00 0.00 0.00 0.00 80 A 7.74 4.01 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 81 L 7.95 3.96 0.00 1.87 1.67 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.25 3.97 0.00 2.05 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.47 4.10 0.00 3.20 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 84 L 7.87 3.73 0.00 1.81 1.57 0.92 1.17 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 85 R 7.78 4.09 0.00 1.93 1.90 0.00 3.07 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 86 R 7.63 3.95 0.00 1.74 1.87 0.00 3.25 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 87 N 6.89 4.82 0.00 2.29 2.57 0.00 0.00 6.97 7.53 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 88 G 7.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.51 4.24 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 1.00 0.00 0.00 0.92 0.00 0.00 90 Q 8.53 4.27 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 91 V 7.78 3.77 1.37 0.00 0.00 0.00 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 0.76 0.00 0.00 92 F 7.30 4.88 0.00 3.19 3.02 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 93 D 8.78 4.53 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 94 S 8.39 4.78 0.00 3.86 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 95 P 0.00 4.30 0.00 2.26 2.33 0.00 3.80 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 2.09 1.99 0.00 96 E 8.16 4.11 0.00 2.03 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 2.34 2.38 0.00 97 L 8.07 3.98 0.00 1.76 1.71 1.00 0.67 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 98 A 7.52 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.38 0.00 2.68 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 0.00 100 L 7.74 3.98 0.00 1.76 1.88 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.76 3.88 4.35 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 1.21 0.00 0.00 102 V 7.50 3.58 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 0.87 0.00 0.00 0.90 0.00 0.00 103 G 8.13 3.56 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 0.00 0.00 0.00 104 A 8.00 4.26 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 0.00 105 A 7.46 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.48 4.19 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 1.18 0.00 0.00 107 G 7.48 3.91 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 0.00 0.00 0.00 108 E 8.05 4.03 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 109 I 7.78 4.51 1.83 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 1.33 0.68 0.88 0.00 0.00 110 S 8.43 4.29 0.00 4.03 3.97 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 0.00 0.00 0.00 111 V 8.41 3.60 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 0.78 0.00 0.00 0.90 0.00 0.00 112 S 7.97 4.12 0.00 3.88 3.94 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 0.00 0.00 0.00 113 S 7.86 4.09 0.00 3.87 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 0.00 114 V 7.89 3.48 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 0.94 0.00 0.00 0.96 0.00 0.00 115 A 8.09 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.35 0.00 2.85 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 0.00 117 T 7.77 3.84 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 118 L 7.89 3.92 0.00 1.91 1.86 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.40 3.97 0.00 1.95 2.06 0.00 3.10 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 120 R 7.78 3.86 0.00 1.83 2.10 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 121 L 7.49 3.98 0.00 1.05 0.13 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.67 4.97 0.00 2.99 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 0.00 123 G 8.25 3.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.