NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2949 8.2027 119.6252 55.9565 31.2788 174.4674 2 V 3.6973 7.4925 118.0488 62.4248 32.1713 173.2641 3 Q 4.6075 9.7503 127.3376 54.0890 33.3204 173.5173 4 L 5.1105 8.5412 122.4418 53.0818 44.4178 175.8000 5 Q 4.7524 9.3463 122.4327 54.1024 31.4232 174.4597 6 E 5.8214 8.7880 121.3026 53.9856 33.4638 174.6973 7 S 4.4927 8.4060 115.1474 58.0793 66.6436 175.8199 8 G 4.0176 9.3548 106.9053 45.0635 0.0000 174.0852 9 G 3.7597 7.1190 106.3747 45.8332 0.0000 172.8497 10 G 4.0549 7.9539 105.8071 45.9795 0.0000 172.5700 11 S 4.9661 8.7544 116.2255 57.2444 64.0883 173.9134 12 V 4.5592 8.5760 118.7728 59.5688 35.6940 174.7521 13 Q 4.9336 8.3065 118.7011 53.9774 31.5503 175.7108 14 A 4.2755 8.2910 124.5295 54.1414 18.7708 178.4543 15 G 3.9491 9.2780 111.6947 45.2165 0.0000 174.2835 16 G 3.9235 8.0741 108.8505 45.1209 0.0000 172.2869 17 S 5.1626 8.0851 113.1731 56.9590 67.1256 173.9406 18 L 4.5864 8.7312 121.3680 53.0801 46.2348 175.6980 19 R 4.6017 8.3824 123.0117 54.5576 31.0775 174.8618 20 L 4.5891 8.2921 127.1739 54.0704 43.2956 176.2917 21 S 5.4842 8.9474 116.9552 56.9548 66.3565 172.1253 22 C 5.5652 9.3397 120.6120 55.3517 43.5209 172.4703 23 A 5.4294 9.0087 124.6372 50.8204 22.7177 174.9064 24 A 5.1415 8.6999 121.9430 50.0803 22.0393 175.8961 25 S 4.6645 8.6902 115.8843 57.3425 65.9267 175.1395 26 G 4.0552 8.9700 107.5376 46.3258 0.0000 173.1201 27 Y 4.7084 7.7560 117.9273 56.1118 39.8537 175.1896 28 T 4.2305 8.6404 114.3192 63.2132 69.4024 173.8069 29 D 4.6305 9.6450 122.6871 54.2847 38.7350 173.4091 30 S 3.9049 7.9622 111.0314 60.9041 61.0372 172.8407 31 R 4.3999 7.4993 118.6189 54.7034 31.4941 174.1881 32 Y 4.6183 7.2010 119.6117 56.0739 40.5664 172.7531 33 C 4.5033 8.4562 117.5083 55.6795 44.7475 171.7807 34 M 5.1375 8.6919 117.6013 54.1863 35.7724 173.3610 35 A 5.2629 8.5632 125.3288 50.2656 23.3589 174.8625 36 W 5.3851 9.3958 120.4268 55.0943 32.4331 175.0491 37 F 5.5042 9.7665 121.2514 56.0870 43.4327 173.7918 38 R 5.2291 9.2179 116.0828 55.3339 33.4794 173.8769 39 Q 4.8095 9.0462 120.7889 55.0043 32.7014 173.7021 40 A 4.6266 8.7551 129.4333 50.3812 19.9377 174.4799 41 P 4.3031 0.0000 0.0000 64.5623 31.7711 176.2290 42 G 4.0585 8.8712 108.6386 46.0805 0.0000 172.8069 43 K 4.7050 7.8990 117.0277 53.8786 35.1344 175.8282 44 E 4.2367 8.4577 120.0765 55.6924 30.2293 176.9696 45 R 4.2919 8.5249 122.8049 57.2844 30.8880 175.0708 46 E 4.9402 9.7101 125.5615 53.9525 33.0190 174.5647 47 W 3.9949 9.2930 135.0000 57.7515 31.2401 175.0132 48 V 3.8138 7.4466 125.8433 63.7643 33.4106 175.1479 49 A 4.4504 5.9810 117.7389 51.0503 22.4168 175.0624 50 R 5.3663 9.3314 120.6445 54.8043 34.2977 173.6534 51 I 4.8213 8.5472 125.9171 58.7899 41.2185 174.7043 52 N 4.9944 8.6226 126.9731 52.2885 38.4381 176.3047 53 S 4.1950 8.0439 113.1634 60.6033 63.2444 175.7416 54 G 3.5408 7.8877 107.8428 46.0421 0.0000 173.8799 55 R 3.8296 7.9111 117.7197 56.9467 27.8872 176.3144 56 D 4.8907 8.2141 114.7808 52.8465 40.4407 175.6399 57 I 4.6791 7.6343 121.0011 59.8294 41.0335 174.2260 58 T 4.9978 8.2703 115.6738 60.0203 71.8882 172.7427 59 Y 5.0087 9.1126 120.5259 56.5983 42.0438 174.0172 60 Y 5.1218 8.9093 119.7001 55.6926 41.6493 175.4219 61 A 4.3474 8.3125 125.1375 52.2380 19.2886 178.1734 62 D 4.4020 9.2209 121.0291 57.7639 40.9326 178.9090 63 S 4.3159 7.9372 110.0335 59.4824 63.6805 174.6687 64 V 3.6854 7.4086 113.1907 60.4602 33.1440 175.4572 65 K 3.8972 7.7460 121.9355 57.4353 32.4084 176.7768 66 G 3.9363 8.6369 114.6118 45.1636 0.0000 173.7819 67 R 4.4236 7.6217 117.1437 57.2583 32.6819 176.0875 68 F 5.4151 8.0854 116.9061 56.3942 40.6621 176.1100 69 T 4.5363 8.7046 112.9940 59.8962 71.9610 173.4424 70 F 4.8411 9.7462 125.5179 58.1763 40.2582 174.8993 71 S 4.7551 9.6855 116.2394 57.0104 65.3556 172.7328 72 Q 4.9847 8.7698 125.0971 54.4703 32.8671 174.5221 73 D 4.5387 8.4705 120.0479 53.4225 44.2302 174.3020 74 N 4.6780 8.6300 124.8041 50.9474 36.3834 173.3970 75 A 4.8198 7.8414 127.7673 51.2562 22.2650 176.6545 76 K 4.3659 8.7696 117.1634 56.4309 36.7197 177.0847 77 N 4.4737 8.3820 115.7076 54.7132 38.5577 173.1328 78 T 4.1598 7.4951 114.0913 63.9207 68.8753 174.0372 79 V 4.3277 9.0829 127.5891 61.2255 34.2084 173.8465 80 Y 5.2078 8.5654 125.0728 56.5672 40.5010 174.7013 81 L 4.3518 8.6470 126.5063 53.3880 43.1000 175.3041 82 Q 4.1015 8.7999 129.6383 56.3773 29.9656 174.8491 83 M 4.0801 8.6615 128.9515 53.8135 32.2867 175.5274 84 D 4.8240 8.9193 123.6078 52.2997 43.0848 176.0023 85 S 3.6239 8.3848 111.9028 59.2988 60.8970 172.3734 86 L 4.4773 7.8137 119.7887 55.1320 42.6677 176.9080 87 E 4.9870 8.9039 119.4987 53.7808 33.6024 175.1712 88 P 4.6893 0.0000 0.0000 65.2161 31.5040 178.5325 89 E 4.1433 8.1135 115.7075 58.7538 29.4578 177.3249 90 D 4.7239 8.0339 117.3381 55.4070 41.3115 176.6538 91 T 4.2599 7.8030 116.7547 64.1098 68.8712 173.5722 92 A 4.3482 8.5496 127.3710 52.1546 23.8683 174.6027 93 T 4.7958 8.2016 116.1594 63.1210 70.1518 174.1186 94 Y 5.0519 9.0392 124.5993 56.8985 40.1264 174.2571 95 Y 5.3910 9.6630 121.7421 56.4680 41.7041 173.8989 96 C 4.3115 8.9858 123.6864 55.1062 46.5463 172.1430 97 A 4.6133 8.3336 125.9545 50.1988 22.0847 174.9986 98 T 5.0871 8.3919 108.9466 60.0957 73.2122 172.0594 99 D 4.9591 8.5004 121.1213 53.1571 45.3792 174.1409 100 I 4.1434 8.4567 113.6340 59.7516 38.6660 174.9601 101 P 4.1582 0.0000 0.0000 65.9867 30.8429 178.5967 102 L 3.9197 7.7816 117.1973 58.3835 42.2770 178.8667 103 R 4.0396 7.9016 117.4559 59.3873 29.9698 179.4673 104 C 4.1316 8.4725 116.6849 59.9889 39.9226 176.0599 105 R 3.7223 7.8387 119.4995 58.7423 29.6838 176.7153 106 D 4.5962 7.4896 115.3982 53.8681 41.4900 176.3060 107 I 3.8899 7.0448 121.7544 59.8800 37.0750 176.3033 108 V 3.4658 8.1844 119.4061 61.3138 32.0432 177.2907 109 A 3.7418 8.4210 127.5612 54.8860 18.3174 178.5592 110 K 2.0000 6.7247 116.2366 51.8222 30.4893 175.9758 111 G 3.9615 6.3576 107.3629 44.9652 0.0000 172.3789 112 G 3.7449 7.4263 109.6660 45.8025 0.0000 173.2892 113 D 5.4380 8.7103 119.6406 52.9207 40.7699 177.4088 114 G 3.6432 8.2195 104.4964 46.5416 0.0000 174.0380 115 F 4.3767 8.0815 118.8008 57.3380 39.2308 175.9360 116 R 4.2490 9.3492 127.5149 58.9777 30.4321 176.6307 *117 Y 4.9408 7.8509 116.9852 55.3691 40.7026 179.4744 118 W 4.8727 9.0118 123.3639 53.9073 32.7519 175.7682 119 G 4.0763 8.9015 111.6543 45.1507 0.0000 173.1217 120 Q 4.4977 8.6357 118.9036 55.2806 29.3975 176.8194 121 G 3.2735 8.6166 109.0115 46.3995 0.0000 172.3498 122 T 4.6997 8.8625 116.3387 59.8824 69.8511 172.9502 123 Q 4.5154 8.6751 130.4068 55.8648 30.7342 174.4476 124 V 4.6959 9.1129 126.0392 61.4911 35.2022 174.3394 125 T 4.9639 8.6999 122.9425 62.0047 72.7861 172.8152 126 V 4.8419 8.7889 126.7415 61.0955 34.3011 174.5179 127 S 5.0096 8.5435 122.7008 56.2298 65.9019 174.7126 128 S 4.2828 8.4845 114.6564 58.7930 62.8351 174.0301 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 Q 8.20 4.29 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 2 V 7.49 3.70 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.16 0.00 0.00 3 Q 9.75 4.61 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 4 L 8.54 5.11 0.00 1.46 1.51 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.35 4.75 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 6 E 8.79 5.82 0.00 2.22 1.90 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 2.20 2.20 0.00 7 S 8.41 4.49 0.00 3.95 4.05 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 0.00 0.00 0.00 8 G 9.35 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 9 G 7.12 3.76 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 10 G 7.95 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.75 4.97 0.00 3.74 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 12 V 8.58 4.56 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 0.85 0.00 0.00 0.88 0.00 0.00 13 Q 8.31 4.93 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 14 A 8.29 4.28 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 15 G 9.28 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 16 G 8.07 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 0.00 0.00 0.00 17 S 8.09 5.16 0.00 3.61 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 18 L 8.73 4.59 0.00 1.18 1.21 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.38 4.60 0.00 1.61 1.68 0.00 2.97 0.00 0.00 2.86 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.44 0.00 20 L 8.29 4.59 0.00 1.02 1.20 -0.19 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.95 5.48 0.00 3.85 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 0.00 22 C 9.34 5.57 0.00 2.85 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 23 A 9.01 5.43 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 24 A 8.70 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.69 4.66 0.00 3.88 3.96 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 26 G 8.97 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 0.00 0.00 0.00 27 Y 7.76 4.71 0.00 3.12 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 28 T 8.64 4.23 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 1.26 0.00 0.00 29 D 9.64 4.63 0.00 2.91 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 30 S 7.96 3.90 0.00 4.06 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 0.00 31 R 7.50 4.40 0.00 1.98 1.77 0.00 3.29 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 32 Y 7.20 4.62 0.00 2.61 1.63 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 C 8.46 4.50 0.00 3.30 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 34 M 8.69 5.14 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 35 A 8.56 5.26 1.10 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 0.00 0.00 36 W 9.40 5.39 0.00 3.18 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 37 F 9.77 5.50 0.00 3.31 3.20 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 38 R 9.22 5.23 0.00 1.07 0.83 0.00 2.55 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 39 Q 9.05 4.81 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 40 A 8.76 4.63 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 41 P 0.00 4.30 0.00 2.07 2.06 0.00 3.87 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 2.07 2.16 0.00 42 G 8.87 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 0.00 0.00 0.00 43 K 7.90 4.71 0.00 1.86 1.73 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.43 7.81 44 E 8.46 4.24 0.00 2.00 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 2.32 2.30 0.00 45 R 8.52 4.29 0.00 1.79 1.89 0.00 3.11 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 46 E 9.71 4.94 0.00 2.08 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 2.27 2.34 0.00 47 W 9.29 3.99 0.00 3.33 3.20 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 48 V 7.45 3.81 2.06 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 1.06 0.00 0.00 0.92 0.00 0.00 49 A 5.98 4.45 1.08 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 50 R 9.33 5.37 0.00 2.49 2.30 0.00 3.53 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 51 I 8.55 4.82 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.16 0.26 0.00 0.00 52 N 8.62 4.99 0.00 2.80 2.96 0.00 0.00 6.49 7.79 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 53 S 8.04 4.19 0.00 3.91 3.93 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 54 G 7.89 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.83 0.00 1.90 1.95 0.00 3.10 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 56 D 8.21 4.89 0.00 2.72 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 57 I 7.63 4.68 1.78 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 1.32 0.59 0.61 0.00 0.00 58 T 8.27 5.00 4.11 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 1.19 0.00 0.00 59 Y 9.11 5.01 0.00 3.12 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 60 Y 8.91 5.12 0.00 2.90 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 61 A 8.31 4.35 1.15 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 62 D 9.22 4.40 0.00 2.73 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 63 S 7.94 4.32 0.00 3.89 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 64 V 7.41 3.69 0.74 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 0.24 0.00 0.00 0.91 0.00 0.00 65 K 7.75 3.90 0.00 1.85 1.71 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 66 G 8.64 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 0.00 0.00 0.00 67 R 7.62 4.42 0.00 1.65 2.17 0.00 3.22 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 68 F 8.09 5.42 0.00 2.65 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 69 T 8.70 4.54 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 1.08 0.00 0.00 70 F 9.75 4.84 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 71 S 9.69 4.76 0.00 3.92 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 72 Q 8.77 4.98 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.39 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 73 D 8.47 4.54 0.00 2.68 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 74 N 8.63 4.68 0.00 2.84 2.80 0.00 0.00 5.92 7.26 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 75 A 7.84 4.82 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 76 K 8.77 4.37 0.00 1.82 1.73 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.39 7.81 77 N 8.38 4.47 0.00 3.09 3.07 0.00 0.00 7.19 7.22 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 78 T 7.50 4.16 4.11 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 0.77 0.00 0.00 79 V 9.08 4.33 2.18 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 1.44 0.00 0.00 0.92 0.00 0.00 80 Y 8.57 5.21 0.00 3.04 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 81 L 8.65 4.35 0.00 1.05 0.74 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.80 4.10 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 83 M 8.66 4.08 0.00 0.78 1.42 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 0.00 84 D 8.92 4.82 0.00 2.70 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 85 S 8.38 3.62 0.00 3.92 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 86 L 7.81 4.48 0.00 1.84 1.59 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.90 4.99 0.00 2.13 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 2.20 2.39 0.00 88 P 0.00 4.69 0.00 2.18 2.14 0.00 3.88 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 2.13 2.10 0.00 89 E 8.11 4.14 0.00 1.95 2.03 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 2.32 2.41 0.00 90 D 8.03 4.72 0.00 2.92 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 91 T 7.80 4.26 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 1.32 0.00 0.00 92 A 8.55 4.35 1.13 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 0.00 0.00 93 T 8.20 4.80 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 0.87 0.00 0.00 94 Y 9.04 5.05 0.00 2.95 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 95 Y 9.66 5.39 0.00 3.23 3.23 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 96 C 8.99 4.31 0.00 1.31 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.61 -0.91 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 98 T 8.39 5.09 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 1.15 0.00 0.00 99 D 8.50 4.96 0.00 2.96 2.58 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 0.00 100 I 8.46 4.14 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 1.16 0.00 0.00 101 P 0.00 4.16 0.00 2.16 2.14 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 102 L 7.78 3.92 0.00 1.62 1.70 0.92 0.92 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 0.00 103 R 7.90 4.04 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 104 C 8.47 4.13 0.00 3.11 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 0.00 105 R 7.84 3.72 0.00 1.93 2.04 0.00 3.22 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 106 D 7.49 4.60 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.04 3.89 1.45 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.38 0.35 0.00 0.00 108 V 8.18 3.47 1.90 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 0.80 0.00 0.00 0.81 0.00 0.00 109 A 8.42 3.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 6.72 2.00 0.00 1.33 1.27 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.49 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.92 0.94 7.81 111 G 6.36 3.96 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 0.00 0.00 0.00 112 G 7.43 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 0.00 0.00 0.00 113 D 8.71 5.44 0.00 2.93 3.18 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 0.00 114 G 8.22 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 0.00 0.00 0.00 115 F 8.08 4.38 0.00 2.27 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 9.35 4.25 0.00 1.85 2.17 0.00 3.25 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 *117 Y 7.85 4.94 0.00 2.03 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 0.00 0.00 0.00 0.00 118 W 9.01 4.87 0.00 3.23 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 0.00 119 G 8.90 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 0.00 120 Q 8.64 4.50 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 121 G 8.62 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 0.00 0.00 0.00 122 T 8.86 4.70 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 1.41 0.00 0.00 123 Q 8.68 4.52 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 124 V 9.11 4.70 2.42 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 0.84 0.00 0.00 0.59 0.00 0.00 125 T 8.70 4.96 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 0.00 126 V 8.79 4.84 2.18 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 1.05 0.00 0.00 1.00 0.00 0.00 127 S 8.54 5.01 0.00 3.97 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 0.00 128 S 8.48 4.28 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.