NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3531 8.1849 120.6294 54.4505 43.4365 175.7947 6 L 4.6069 8.0604 121.9708 51.3052 44.7890 175.5776 7 K 3.8178 9.3621 126.0626 59.9244 32.4007 178.3811 8 A 4.0196 7.9615 120.1932 55.1896 18.1706 179.2549 9 L 4.1591 7.6912 115.4416 57.0799 41.8743 179.0572 10 R 4.2096 7.4955 116.7701 56.2687 30.4706 176.7467 11 S 4.0697 6.9678 112.4907 59.2371 63.3559 174.5013 12 D 4.8666 8.4067 127.0856 52.7727 41.2753 175.9091 13 S 4.7100 8.1097 116.3776 61.1681 63.4952 176.7320 14 Y 3.8926 8.2171 117.0124 59.8408 37.7538 176.4018 15 V 4.3733 7.6703 117.8092 62.9718 32.4160 175.8970 16 E 4.2836 7.7451 119.3843 56.6470 29.9312 176.5286 17 L 4.5621 8.3010 121.1373 54.9648 42.4018 177.5670 18 S 4.7076 7.7181 115.2201 57.4607 65.1849 173.7489 19 Q 4.2773 8.4292 117.3349 56.8869 29.0296 175.8477 20 Y 4.0898 7.6564 119.8332 57.5744 39.3689 175.4220 21 R 4.2916 6.7637 124.1808 54.5670 34.0206 174.1814 22 D 4.1667 8.9107 123.3932 54.7264 41.3165 176.9243 23 Q 3.9974 8.4698 128.0133 58.6990 29.3630 176.0392 24 H 4.6104 8.1456 112.9762 55.8966 29.1570 174.8997 25 F 4.1640 7.6862 123.0718 58.3565 39.1745 176.0274 26 R 4.0010 8.0499 130.0906 53.7517 27.3889 175.1873 27 G 3.8008 7.0722 111.5167 43.7275 0.0000 169.5819 28 D 4.6421 7.7381 118.4287 53.5631 43.2171 176.4200 29 N 4.2692 8.5441 120.3098 56.8101 38.9699 176.4795 30 E 3.9022 8.3393 120.7098 59.2475 29.5623 178.4332 31 E 4.0239 8.0517 118.9776 59.0252 29.8972 178.1987 32 Q 3.4207 8.0785 119.7268 59.0439 28.9359 178.1431 33 E 3.9285 8.3166 119.7488 59.0506 29.2291 179.0794 34 K 3.8512 7.4978 119.1094 59.4656 32.4246 178.4545 35 L 4.1947 7.7769 118.7727 57.3113 41.5262 179.2675 36 L 3.9954 7.7750 119.0025 57.7727 41.6516 179.0574 37 K 3.8877 7.9423 115.4090 57.6162 31.9132 177.4607 38 K 4.4130 7.4916 115.7819 55.4389 34.0068 176.4840 39 S 4.4068 7.4150 114.0662 58.7784 63.0200 173.2269 40 C 5.2676 8.7960 119.9460 59.6484 30.5968 172.9892 41 T 5.2347 8.9067 117.2622 61.8142 70.9530 173.3150 42 L 5.2834 9.1863 125.5679 53.1201 45.6829 174.7576 43 Y 4.5760 9.1932 123.7585 56.2895 41.0624 174.2940 44 V 4.3601 7.5357 125.8828 60.8653 34.4946 174.6955 45 G 4.1700 8.7636 114.7377 44.3214 0.0000 172.1922 46 N 4.2627 8.7003 114.3184 54.3529 37.2015 174.0727 47 L 4.2120 7.4335 115.4823 53.5664 42.8050 176.9102 48 S 4.4266 8.1307 115.7179 58.0033 62.9641 175.3002 49 F 4.5264 8.7831 124.6567 60.0149 38.7816 176.0125 50 Y 4.7307 7.4074 117.1703 56.7282 38.0031 175.5836 51 T 4.3235 7.6801 117.7205 63.3653 69.1437 174.9539 52 T 4.5499 9.5833 118.2144 60.0894 72.2789 175.4420 53 E 3.9358 8.5977 121.9653 59.5916 29.5660 178.9653 54 E 4.0811 8.1666 118.2136 59.5375 29.6010 179.1626 55 Q 4.0881 7.9425 118.1434 59.0200 28.7535 178.8142 56 I 3.8876 7.9302 120.9516 64.3566 37.1254 178.1584 57 Y 3.8288 8.1418 117.8100 61.0043 37.5211 178.0858 58 E 4.0389 8.1345 119.0197 59.1176 30.1440 178.4523 59 L 4.0824 8.0753 120.3277 58.3278 41.8720 178.8184 60 F 4.2085 8.6274 116.7916 59.5250 38.8683 177.2981 61 S 5.0818 8.0774 115.7218 59.7962 62.5559 175.9288 62 K 4.2328 7.9451 120.5425 57.9763 31.8376 177.8968 63 S 4.7840 9.0168 112.0340 57.0675 64.3088 173.8947 64 G 4.4499 7.0614 110.3974 44.5543 0.0000 171.3093 65 D 4.9629 8.4068 119.9446 54.0053 41.4021 175.9308 66 I 4.0832 8.3926 125.1906 60.3357 38.3073 175.5631 67 K 3.6890 8.5479 127.7025 57.9818 32.6017 176.8599 68 K 4.5229 7.2644 118.6215 55.2381 35.7242 174.0401 69 I 4.7008 8.1615 126.2451 59.5464 40.1400 174.9005 70 I 4.1402 8.2263 128.8069 59.3707 38.7362 175.2213 71 M 4.1752 8.4002 127.4937 54.9632 32.8710 176.7125 72 G 2.3884 8.4919 111.1006 45.5144 0.0000 172.6219 73 L 5.4299 9.2993 125.1181 52.3794 46.2405 175.4009 74 D 4.8903 9.2165 122.2395 54.1067 41.5235 177.1285 75 K 3.6536 8.7408 127.9025 58.8298 32.4157 175.9939 76 M 4.5227 8.0149 114.0526 57.3964 34.1248 177.3738 77 K 4.0435 8.1694 116.3979 57.2567 32.8278 177.1022 78 K 4.0540 8.3132 118.1098 57.9529 30.1496 174.3816 79 T 4.7707 7.2986 106.2674 59.0771 73.1279 173.7075 80 A 4.2869 8.5756 124.1292 52.9901 18.5204 176.9652 81 C 3.2610 8.2736 116.8391 57.3554 30.7031 174.5587 82 G 4.6130 8.7691 108.8681 46.1646 0.0000 172.9496 83 F 5.0519 7.6192 113.1248 56.4368 41.1489 171.7312 84 C 4.5318 7.8794 112.9846 57.7023 33.3881 172.3588 85 F 5.1130 8.6643 117.0513 55.5676 42.2783 175.0112 86 V 4.3835 8.6342 121.9308 60.9933 34.4693 173.5176 87 E 5.0165 9.0130 129.5674 54.7570 31.6411 174.7181 88 Y 4.7965 8.9873 124.6628 56.7341 40.2728 175.6398 89 Y 4.3106 8.6040 117.2847 59.9118 38.3618 176.3526 90 S 5.0704 7.9165 112.6830 55.6708 66.2185 174.7595 91 R 4.0104 8.7612 121.6634 59.7369 29.8855 178.7270 92 A 4.3378 7.9474 121.4072 54.7940 18.2678 179.2223 93 D 4.2704 7.9386 117.0093 57.2434 40.8437 178.8301 94 A 3.4055 7.7230 120.8671 54.9242 18.2838 179.3037 95 E 4.0628 8.4867 117.1550 59.8173 29.6230 179.4079 96 N 4.3928 8.1275 115.6717 55.7145 38.4915 177.3690 97 A 3.9358 7.4274 122.9114 55.1682 18.2484 179.5556 98 M 3.8560 7.5165 116.5175 58.4806 32.0211 178.8864 99 R 3.6464 7.7293 117.5354 58.1530 30.2434 177.0072 100 Y 4.7438 7.4155 112.6607 57.4833 40.4562 176.3286 101 I 4.0155 7.7657 120.4779 62.3407 38.4769 175.8184 102 N 4.3280 7.8807 117.5740 55.1684 39.0138 174.5155 103 G 3.9081 8.8652 112.6993 46.0007 0.0000 172.6006 104 T 4.6384 7.4992 109.4143 59.2960 71.5931 173.0405 105 R 5.2744 8.0865 119.1654 54.7188 31.2808 176.7378 106 L 4.3055 7.8848 122.4711 54.8382 43.4578 175.3471 107 D 4.3028 9.1074 127.4861 55.7597 37.7148 174.6404 108 D 4.5082 8.4716 113.8488 54.9053 39.9700 172.5009 109 R 4.6963 7.2849 116.0564 53.8033 33.2713 175.1916 110 I 4.4255 8.3974 124.5345 61.2167 37.7329 175.6093 111 I 4.5309 8.5989 121.3759 59.4909 40.4551 174.4991 112 R 5.2426 8.4710 123.0967 54.7536 32.8627 174.3101 113 T 5.1418 9.1461 116.2124 60.2553 71.5887 172.9432 114 D 4.7287 8.7569 121.3879 52.3973 45.1910 174.6007 115 W 4.7219 8.7836 123.9891 57.1230 29.8722 174.8935 116 D 5.2372 8.9864 121.8956 52.4143 43.1838 176.0231 117 A 4.0777 8.8896 126.9837 53.7393 18.8369 176.4335 118 G 3.8495 7.5963 100.4397 43.2264 0.0000 173.7069 119 F 3.9873 8.3286 126.4968 58.0024 40.4590 174.3330 120 K 4.1465 6.0694 123.2777 54.2181 36.0547 175.5174 121 E 4.0611 8.1253 120.8700 57.9952 30.1218 176.5792 122 G 4.3742 9.6086 111.7915 46.0822 0.0000 175.3706 123 R 4.2817 7.3219 116.1084 57.7463 30.0050 176.8459 124 Q 4.8474 8.0388 116.0309 56.6181 29.8611 174.6327 125 Y 5.8498 7.3250 117.4125 55.7057 40.5274 175.8053 126 G 3.8645 8.9630 109.8592 46.4355 0.0000 173.6206 127 R 4.5455 8.8142 123.6974 56.3033 30.4611 176.8469 128 G 3.8563 8.5182 109.4046 44.8934 0.0000 175.0144 129 R 3.7569 8.8818 123.6111 59.4068 29.9295 177.5311 130 S 4.3434 8.9463 109.7535 58.4312 63.9088 173.6641 131 G 4.8415 8.5179 113.5379 47.4770 0.0000 174.9915 132 G 4.2561 7.8545 109.4381 44.7897 0.0000 172.5589 133 Q 4.4248 8.6567 118.1940 55.5329 29.8789 176.9584 134 V 3.6566 8.6974 121.5827 66.3891 31.8711 178.0184 135 R 4.0686 8.3849 119.1154 59.7845 29.5301 177.7727 136 D 4.5960 8.1510 116.5226 56.5265 40.9715 177.9278 137 E 4.0047 8.7290 119.8379 58.1070 29.7448 176.6848 138 Y 4.5894 7.8842 114.6928 58.0110 39.8900 176.5367 139 R 4.0996 8.1332 116.2029 56.6493 29.9372 176.3997 140 Q 4.2870 8.7383 120.4065 57.9299 29.4200 175.8249 141 D 4.5468 7.9727 116.6497 53.5750 39.8999 174.2060 142 Y 4.1231 8.3316 120.1264 55.9683 39.0421 174.5635 143 D 4.3584 8.4636 129.2567 51.9599 40.8772 176.3342 144 A 3.6185 8.1733 130.6620 54.7944 18.5316 178.2623 145 G 3.8774 8.1197 102.8277 45.7961 0.0000 174.6207 146 R 2.8917 7.8682 117.4279 54.8857 31.2915 176.4688 147 G 4.0063 7.2846 108.5880 44.2366 0.0000 173.4334 148 G 3.3497 7.4762 104.7722 44.9697 0.0000 177.0893 149 Y 4.8710 8.2532 124.0888 55.8135 40.0996 175.4593 *150 G 3.8225 8.6926 108.7008 46.4287 0.0000 172.7742 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 5 L 8.18 4.35 0.00 1.66 1.68 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.06 4.61 0.00 1.74 1.52 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.36 3.82 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 8 A 7.96 4.02 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 9 L 7.69 4.16 0.00 1.80 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.50 4.21 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 11 S 6.97 4.07 0.00 3.93 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 12 D 8.41 4.87 0.00 2.93 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 13 S 8.11 4.71 0.00 3.97 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 14 Y 8.22 3.89 0.00 2.85 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 15 V 7.67 4.37 2.35 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 1.11 0.00 0.00 1.18 0.00 0.00 16 E 7.75 4.28 0.00 2.19 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 2.36 2.48 0.00 17 L 8.30 4.56 0.00 1.67 1.67 0.88 0.81 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 18 S 7.72 4.71 0.00 4.03 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 19 Q 8.43 4.28 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 20 Y 7.66 4.09 0.00 2.91 2.98 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 21 R 6.76 4.29 0.00 1.57 1.58 0.00 3.19 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 22 D 8.91 4.17 0.00 2.77 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 23 Q 8.47 4.00 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 24 H 8.15 4.61 0.00 3.41 3.32 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.69 4.16 0.00 2.90 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 26 R 8.05 4.00 0.00 1.55 1.55 0.00 3.38 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 27 G 7.07 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 28 D 7.74 4.64 0.00 2.83 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 29 N 8.54 4.27 0.00 2.87 2.79 0.00 0.00 6.49 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 30 E 8.34 3.90 0.00 2.10 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 0.00 2.31 2.32 0.00 31 E 8.05 4.02 0.00 2.16 2.27 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 2.53 2.43 0.00 32 Q 8.08 3.42 0.00 1.50 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.98 1.41 0.00 33 E 8.32 3.93 0.00 2.01 1.92 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 2.27 2.50 0.00 34 K 7.50 3.85 0.00 1.86 2.06 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 35 L 7.78 4.19 0.00 1.84 1.84 1.16 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.78 4.00 0.00 1.82 1.67 0.90 0.84 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 37 K 7.94 3.89 0.00 1.61 1.69 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.43 7.81 38 K 7.49 4.41 0.00 1.59 1.72 0.00 1.46 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.31 7.81 39 S 7.42 4.41 0.00 4.03 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 40 C 8.80 5.27 0.00 3.00 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 41 T 8.91 5.23 4.42 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 1.45 0.00 0.00 42 L 9.19 5.28 0.00 1.49 1.44 0.97 -0.14 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 43 Y 9.19 4.58 0.00 2.93 2.85 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 44 V 7.54 4.36 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.31 0.00 0.00 45 G 8.76 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 0.00 0.00 0.00 46 N 8.70 4.26 0.00 2.84 2.98 0.00 0.00 7.01 7.78 0.00 0.00 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 L 7.43 4.21 0.00 1.70 1.50 0.73 1.13 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 48 S 8.13 4.43 0.00 3.54 3.28 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 49 F 8.78 4.53 0.00 2.99 3.07 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 50 Y 7.41 4.73 0.00 2.97 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 51 T 7.68 4.32 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 1.18 0.00 0.00 52 T 9.58 4.55 4.44 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 1.33 0.00 0.00 53 E 8.60 3.94 0.00 2.04 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 2.66 2.48 0.00 54 E 8.17 4.08 0.00 2.13 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 2.39 2.43 0.00 55 Q 7.94 4.09 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 56 I 7.93 3.89 1.90 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 1.45 0.76 0.54 0.00 0.00 57 Y 8.14 3.83 0.00 3.29 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 58 E 8.13 4.04 0.00 2.03 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 0.00 2.36 2.40 0.00 59 L 8.08 4.08 0.00 1.85 1.78 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.63 4.21 0.00 3.23 3.12 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 0.00 0.00 0.00 0.00 61 S 8.08 5.08 0.00 4.04 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 62 K 7.95 4.23 0.00 1.85 1.85 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 63 S 9.02 4.78 0.00 3.94 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 64 G 7.06 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.96 0.00 3.14 2.86 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 66 I 8.39 4.08 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.35 0.00 0.00 67 K 8.55 3.69 0.00 0.79 1.41 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 0.85 7.81 68 K 7.26 4.52 0.00 1.72 1.40 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.54 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.22 1.36 7.81 69 I 8.16 4.70 1.61 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.06 0.65 0.00 0.00 70 I 8.23 4.14 1.63 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 0.76 0.59 0.56 0.00 0.00 71 M 8.40 4.18 0.00 1.69 1.83 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 72 G 8.49 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.30 5.43 0.00 1.59 1.60 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.22 4.89 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 75 K 8.74 3.65 0.00 1.99 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.05 7.81 76 M 8.01 4.52 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 77 K 8.17 4.04 0.00 1.75 1.88 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 8.31 4.05 0.00 1.85 1.93 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.53 7.81 79 T 7.30 4.77 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 1.24 0.00 0.00 80 A 8.58 4.29 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 81 C 8.27 3.26 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 82 G 8.77 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 83 F 7.62 5.05 0.00 3.03 3.29 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 84 C 7.88 4.53 0.00 2.85 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 85 F 8.66 5.11 0.00 2.95 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 86 V 8.63 4.38 1.64 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 0.23 0.00 0.00 0.08 0.00 0.00 87 E 9.01 5.02 0.00 1.93 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 2.04 2.23 0.00 88 Y 8.99 4.80 0.00 3.04 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 89 Y 8.60 4.31 0.00 3.21 3.05 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 90 S 7.92 5.07 0.00 4.03 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 91 R 8.76 4.01 0.00 1.98 2.01 0.00 3.32 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 92 A 7.95 4.34 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 93 D 7.94 4.27 0.00 2.72 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 0.00 0.00 0.00 0.00 94 A 7.72 3.41 1.62 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 0.00 0.00 95 E 8.49 4.06 0.00 2.28 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 0.00 2.82 2.96 0.00 96 N 8.13 4.39 0.00 2.74 2.97 0.00 0.00 6.94 7.28 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 97 A 7.43 3.94 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 98 M 7.52 3.86 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.11 0.00 99 R 7.73 3.65 0.00 0.67 0.66 0.00 3.04 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 100 Y 7.42 4.74 0.00 2.88 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 I 7.77 4.02 1.65 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.01 0.04 0.00 0.00 102 N 7.88 4.33 0.00 2.61 2.90 0.00 0.00 6.99 7.98 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 0.00 103 G 8.87 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 0.00 104 T 7.50 4.64 4.20 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 1.27 0.00 0.00 105 R 8.09 5.27 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 106 L 7.88 4.31 0.00 1.62 1.46 0.98 1.24 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 0.00 107 D 9.11 4.30 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.51 0.00 2.79 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 0.00 109 R 7.28 4.70 0.00 1.79 1.72 0.00 3.03 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 110 I 8.40 4.43 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 1.39 0.73 0.90 0.00 0.00 111 I 8.60 4.53 1.96 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 1.33 0.83 0.90 0.00 0.00 112 R 8.47 5.24 0.00 1.89 1.75 0.00 3.04 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 113 T 9.15 5.14 4.20 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 1.37 0.00 0.00 114 D 8.76 4.73 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.78 4.72 0.00 3.28 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 0.00 116 D 8.99 5.24 0.00 3.01 2.89 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 0.00 117 A 8.89 4.08 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 0.00 118 G 7.60 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 0.00 119 F 8.33 3.99 0.00 2.66 2.86 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 0.00 120 K 6.07 4.15 0.00 1.43 1.35 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.30 7.81 121 E 8.13 4.06 0.00 1.89 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 2.37 2.31 0.00 122 G 9.61 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 0.00 0.00 0.00 0.00 123 R 7.32 4.28 0.00 1.65 2.02 0.00 3.15 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.38 0.00 124 Q 8.04 4.85 0.00 2.16 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 125 Y 7.33 5.85 0.00 3.14 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 0.00 126 G 8.96 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 0.00 0.00 0.00 127 R 8.81 4.55 0.00 1.86 2.04 0.00 3.21 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 1.75 1.72 0.00 128 G 8.52 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 0.00 0.00 0.00 129 R 8.88 3.76 0.00 1.79 2.18 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 130 S 8.95 4.34 0.00 4.02 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 0.00 131 G 8.52 4.84 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 0.00 132 G 7.85 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 0.00 0.00 0.00 0.00 133 Q 8.66 4.42 0.00 2.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.68 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 134 V 8.70 3.66 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 0.95 0.00 0.00 0.99 0.00 0.00 135 R 8.38 4.07 0.00 1.91 2.01 0.00 3.26 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 136 D 8.15 4.60 0.00 3.06 2.81 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 0.00 137 E 8.73 4.00 0.00 2.14 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 2.16 2.16 0.00 138 Y 7.88 4.59 0.00 2.98 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 0.00 139 R 8.13 4.10 0.00 2.18 2.01 0.00 3.02 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 140 Q 8.74 4.29 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 141 D 7.97 4.55 0.00 2.86 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 0.00 142 Y 8.33 4.12 0.00 2.49 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.46 4.36 0.00 2.47 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 0.00 0.00 0.00 0.00 144 A 8.17 3.62 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 0.00 145 G 8.12 3.88 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 0.00 0.00 0.00 146 R 7.87 2.89 0.00 1.31 1.46 0.00 3.44 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.73 0.00 147 G 7.28 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 0.00 148 G 7.48 3.35 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 0.00 149 Y 8.25 4.87 0.00 3.07 2.98 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 *150 G 8.69 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 * Residues marked with a * may have inaccurate shift predictions.