NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2056 8.2601 123.5817 54.3901 19.4732 177.1665 3 A 2.9849 6.2003 117.3770 47.6666 20.7566 172.4171 4 V 4.7369 8.2463 112.7745 59.9114 36.1382 173.1501 5 T 4.8356 8.6519 117.0798 60.1376 71.7697 173.4974 6 Q 5.1041 8.5873 123.3068 55.0924 31.6738 174.7589 7 S 4.6537 9.0108 113.1951 57.2380 66.2876 173.0201 8 P 4.9258 0.0000 0.0000 61.6817 33.0113 175.8047 9 R 4.1794 8.4340 118.4093 58.7967 31.1884 175.8297 10 N 5.4171 7.9654 114.6420 51.3012 42.4088 174.2296 11 K 4.5062 9.4803 124.8689 54.9815 36.0684 175.0014 12 V 4.5794 8.6431 120.5944 59.7664 33.4041 174.7397 13 A 4.8617 9.3071 127.5108 49.8139 22.7966 175.4662 14 V 4.1196 8.1874 112.5756 60.9267 33.4488 175.9591 15 T 3.7623 8.2871 120.8915 64.2018 68.4023 171.7883 16 G 3.5551 8.7275 119.3272 45.1942 0.0000 173.2468 17 E 4.1863 7.6326 119.9667 55.8538 30.9862 175.6476 18 K 5.3029 8.4426 122.0425 55.1664 32.9860 175.6783 19 V 4.3663 8.7913 128.8217 61.4122 33.8104 174.2990 20 T 5.0556 8.4596 123.9355 61.7825 70.7814 173.4108 21 L 4.7225 9.2083 127.8957 53.0163 43.9685 175.4676 22 S 5.0710 9.1693 120.1933 57.0963 65.0891 172.4470 23 C 5.6288 9.3535 124.2020 54.7715 42.1352 172.4898 24 Q 5.1598 9.1349 122.3600 54.8169 32.1226 173.4864 25 Q 5.4047 9.0304 119.4626 54.9431 31.3754 174.9705 26 T 4.6547 8.2331 105.6440 61.0507 70.6425 174.2405 27 N 4.5903 8.5272 119.2947 52.9002 39.5430 174.5246 28 N 4.0706 7.7546 110.4056 55.2228 35.6526 172.6501 29 H 4.7606 9.0607 116.4391 54.0620 30.8463 175.4954 30 N 4.3577 8.8994 121.5900 56.8150 38.7243 174.9966 31 N 4.7602 7.7410 115.2913 53.2591 39.9769 173.9776 32 M 5.2745 8.4330 122.2713 53.8414 36.5740 174.0244 33 Y 5.2749 9.8817 119.7247 56.1101 43.2976 174.3193 34 W 5.4062 8.8690 121.1516 55.4204 32.5266 174.3689 35 Y 5.3307 9.9569 121.9248 56.6003 42.0301 174.4971 36 R 5.0777 8.5932 118.0736 56.3673 33.8791 173.5466 37 Q 4.9118 8.4391 122.7960 53.9902 32.3062 174.5824 38 D 4.2777 8.5356 120.5650 54.7997 41.3095 174.9784 39 T 4.0745 8.3719 114.8617 62.0625 67.9558 173.4511 40 G 3.9844 8.5562 120.5373 47.6740 0.0000 171.3170 41 H 4.8058 8.5965 122.4741 55.3773 29.5468 175.8319 42 G 4.1871 8.5752 115.1547 45.3501 0.0000 170.9284 43 L 4.8065 8.1329 120.8959 53.7274 42.4866 176.5200 44 R 4.6897 9.4506 123.5290 53.7958 33.6554 174.4476 45 L 4.1212 9.0100 125.5517 56.1056 42.7361 177.2524 46 I 3.9410 8.6711 127.8660 63.9646 38.0145 175.5572 47 H 5.6313 8.1468 117.1969 54.6230 33.7764 171.6516 48 Y 5.4845 9.2958 118.9902 55.8373 42.4008 173.8109 49 S 4.2612 8.1321 112.6068 57.2958 65.3981 174.7677 50 Y 4.4517 8.1808 124.6479 60.2820 38.2027 175.8350 51 G 3.8693 7.5373 105.0569 44.3023 0.0000 172.5439 52 A 3.9024 8.6527 123.6161 53.7326 18.6013 177.7455 53 G 3.8241 10.2788 109.5127 46.1538 0.0000 173.8838 54 S 4.3276 7.3424 109.9462 57.1944 65.9265 174.5772 55 T 4.8102 8.4512 117.4036 59.9517 71.8480 173.0160 56 E 4.7521 8.3973 120.6655 54.0852 34.0439 175.4304 57 K 4.4081 8.9720 122.5118 56.9785 32.4848 177.4584 58 G 4.0649 8.5728 115.5126 46.5087 0.0000 173.5199 59 D 4.6530 10.5117 120.9646 56.2015 40.7800 178.4719 60 I 4.4300 7.1147 111.8854 59.4057 35.4846 173.3307 61 P 4.4976 0.0000 0.0000 67.4133 31.6461 178.0293 62 D 4.1574 7.9467 117.9819 54.3547 41.1658 177.3356 63 G 3.5156 8.7730 110.8723 46.3750 0.0000 172.1857 *65 Y 4.5647 7.3859 115.2359 57.6771 38.8338 174.5189 66 K 4.7568 9.0061 119.5741 54.7421 36.0636 175.3633 67 A 5.4165 8.0466 123.9762 49.5568 22.9042 174.9119 68 S 4.5273 8.1998 109.0131 57.7919 65.5367 173.9718 69 R 5.0298 8.7529 127.8363 54.3322 31.4628 173.6946 70 P 4.6570 0.0000 0.0000 62.3067 32.2885 175.9694 71 S 4.4126 8.1198 109.8504 59.6184 65.0166 178.8870 72 Q 3.3010 7.8302 125.0649 55.4265 29.2296 177.5260 73 E 4.5896 8.0145 112.5357 55.9958 31.0011 174.9477 74 Q 5.0576 9.5678 121.0298 54.8334 32.3365 174.0079 75 F 5.6156 8.7369 125.9930 57.3948 43.7269 173.0163 76 S 5.5259 8.8295 118.7619 57.0901 67.8006 172.4941 77 L 4.5803 8.8442 126.0919 53.4834 43.5993 175.0695 78 I 4.5726 9.5930 128.0394 60.0599 39.6595 175.3735 79 L 4.3292 8.5238 125.1110 53.3366 44.7060 176.4526 80 E 3.9635 9.0408 126.4828 56.7041 30.3594 175.7760 81 S 5.7967 7.7256 124.3820 55.8487 64.3618 173.5316 82 A 4.9677 8.5288 127.0502 52.2323 19.7866 175.9407 83 T 4.5543 8.3783 106.8003 60.2093 71.6078 172.7745 84 P 4.7981 0.0000 0.0000 65.8015 31.7223 178.7661 85 S 4.0397 8.1514 112.4419 62.0751 62.9129 176.2617 86 Q 4.3114 8.5785 115.4696 57.1971 28.0446 175.9617 87 T 4.5294 8.1008 117.1097 63.5753 69.4706 173.9197 88 S 4.5157 7.6750 118.8165 58.3220 69.2472 174.4538 89 V 4.7743 7.8978 118.7427 61.5535 34.1131 175.4156 90 Y 5.0425 9.1757 126.7359 57.3794 39.7924 174.9246 91 F 5.6497 9.6667 120.6111 56.2111 43.9528 172.6880 92 C 5.3386 9.9010 122.0583 54.8454 44.5558 172.4885 93 A 5.3150 9.1393 126.2007 50.5100 22.2759 174.8625 94 S 5.1274 8.4853 112.5603 56.7810 66.6545 173.1957 95 G 3.9128 9.2726 108.4755 43.8959 0.0000 172.1745 96 G 4.5489 9.6191 118.5281 46.4022 0.0000 172.7567 97 G 3.9592 9.3462 109.3579 46.3906 0.0000 173.5418 98 G 3.7935 8.4037 100.0506 46.3784 0.0000 172.7055 99 T 4.6074 7.4019 113.6853 62.1055 73.9693 173.8610 100 L 4.3236 7.6949 122.2707 54.8819 44.6764 173.4159 101 Y 5.1730 9.5775 124.3171 56.3894 41.4724 174.9596 *108 F 5.6111 7.9137 118.7794 57.7420 40.5581 175.6034 109 G 4.1441 9.7939 109.1596 45.3835 0.0000 173.3921 110 A 4.6717 8.8957 121.4419 51.5410 19.5146 178.0622 111 G 3.2969 8.4412 102.1159 45.9016 0.0000 173.1469 112 T 4.7896 8.6779 117.6348 61.5672 71.7027 173.3294 113 R 4.8851 8.8900 126.5819 54.9857 30.8050 175.5300 114 L 5.6893 9.1946 126.2635 52.9034 45.9190 175.5760 115 S 4.6559 8.3366 117.9493 57.5518 67.2295 173.3676 116 V 4.7343 9.3395 127.0467 60.8273 32.6528 175.4498 117 L 4.4564 8.5548 127.1402 55.5994 40.0361 176.4553 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 2 A 8.26 4.21 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 3 A 6.20 2.98 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 4 V 8.25 4.74 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 1.05 0.00 0.00 1.07 0.00 0.00 5 T 8.65 4.84 4.27 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 1.23 0.00 0.00 6 Q 8.59 5.10 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 7 S 9.01 4.65 0.00 3.87 3.70 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 8 P 0.00 4.93 0.00 2.22 2.05 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 9 R 8.43 4.18 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 10 N 7.97 5.42 0.00 2.58 2.66 0.00 0.00 6.57 7.61 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 11 K 9.48 4.51 0.00 1.75 1.57 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.43 7.81 12 V 8.64 4.58 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 0.76 0.00 0.00 0.93 0.00 0.00 13 A 9.31 4.86 1.16 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 0.00 0.00 14 V 8.19 4.12 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 0.79 0.00 0.00 0.92 0.00 0.00 15 T 8.29 3.76 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 1.26 0.00 0.00 16 G 8.73 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 17 E 7.63 4.19 0.00 2.17 2.11 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 2.28 2.27 0.00 18 K 8.44 5.30 0.00 1.83 1.75 0.00 1.65 0.00 0.00 2.27 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 19 V 8.79 4.37 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 20 T 8.46 5.06 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 1.21 0.00 0.00 21 L 9.21 4.72 0.00 1.07 1.51 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.17 5.07 0.00 3.94 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 23 C 9.35 5.63 0.00 2.68 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 24 Q 9.13 5.16 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.33 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 25 Q 9.03 5.40 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 26 T 8.23 4.65 4.27 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 1.24 0.00 0.00 27 N 8.53 4.59 0.00 2.85 2.89 0.00 0.00 7.29 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 28 N 7.75 4.07 0.00 2.79 2.76 0.00 0.00 6.98 8.16 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 29 H 9.06 4.76 0.00 3.21 3.31 0.00 5.68 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 30 N 8.90 4.36 0.00 2.73 3.10 0.00 0.00 7.03 8.00 0.00 0.00 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 N 7.74 4.76 0.00 2.95 2.58 0.00 0.00 6.89 7.54 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 32 M 8.43 5.27 0.00 1.83 1.44 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 33 Y 9.88 5.27 0.00 2.69 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 0.00 0.00 0.00 0.00 34 W 8.87 5.41 0.00 3.16 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 35 Y 9.96 5.33 0.00 3.43 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 36 R 8.59 5.08 0.00 1.25 1.58 0.00 2.91 0.00 0.00 3.24 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.00 37 Q 8.44 4.91 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 38 D 8.54 4.28 0.00 2.56 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 39 T 8.37 4.07 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 1.22 0.00 0.00 40 G 8.56 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 0.00 0.00 0.00 41 H 8.60 4.81 0.00 3.04 2.66 0.00 5.82 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 42 G 8.58 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.13 4.81 0.00 1.18 1.32 0.26 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.45 4.69 0.00 1.80 1.84 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 45 L 9.01 4.12 0.00 2.02 1.84 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.67 3.94 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.76 0.00 0.00 47 H 8.15 5.63 0.00 3.17 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.30 5.48 0.00 2.62 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 49 S 8.13 4.26 0.00 3.28 2.63 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 50 Y 8.18 4.45 0.00 2.96 2.87 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 51 G 7.54 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 0.00 0.00 0.00 52 A 8.65 3.90 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 53 G 10.28 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 54 S 7.34 4.33 0.00 3.73 3.75 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 0.00 0.00 0.00 0.00 55 T 8.45 4.81 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 1.41 0.00 0.00 56 E 8.40 4.75 0.00 1.16 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 0.00 1.79 2.16 0.00 57 K 8.97 4.41 0.00 1.75 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.56 7.81 58 G 8.57 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 59 D 10.51 4.65 0.00 2.76 2.77 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 60 I 7.11 4.43 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.95 0.00 0.00 61 P 0.00 4.50 0.00 2.16 2.26 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 62 D 7.95 4.16 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 63 G 8.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 Y 7.39 4.56 0.00 3.16 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 66 K 9.01 4.76 0.00 1.69 1.64 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 67 A 8.05 5.42 1.05 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 68 S 8.20 4.53 0.00 3.92 3.75 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 0.00 0.00 0.00 0.00 69 R 8.75 5.03 0.00 1.55 1.62 0.00 2.88 0.00 0.00 2.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 70 P 0.00 4.66 0.00 2.23 2.17 0.00 4.11 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 71 S 8.12 4.41 0.00 3.95 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 72 Q 7.83 3.30 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.13 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 73 E 8.01 4.59 0.00 2.13 2.30 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 2.29 2.23 0.00 74 Q 9.57 5.06 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 75 F 8.74 5.62 0.00 2.83 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 76 S 8.83 5.53 0.00 3.85 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 77 L 8.84 4.58 0.00 0.45 0.83 0.40 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.59 4.57 1.85 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 1.21 0.46 0.88 0.00 0.00 79 L 8.52 4.33 0.00 1.76 1.45 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.04 3.96 0.00 1.99 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 2.34 2.36 0.00 81 S 7.73 5.80 0.00 3.73 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 82 A 8.53 4.97 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 83 T 8.38 4.55 4.22 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 1.21 0.00 0.00 84 P 0.00 4.80 0.00 2.19 2.20 0.00 3.90 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 2.17 0.00 85 S 8.15 4.04 0.00 3.86 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 86 Q 8.58 4.31 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 87 T 8.10 4.53 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 1.31 0.00 0.00 88 S 7.67 4.52 0.00 3.77 3.34 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 0.00 89 V 7.90 4.77 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 0.84 0.00 0.00 0.92 0.00 0.00 90 Y 9.18 5.04 0.00 2.76 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 91 F 9.67 5.65 0.00 3.14 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 92 C 9.90 5.34 0.00 2.05 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 93 A 9.14 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.49 5.13 0.00 3.87 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 95 G 9.27 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 96 G 9.62 4.55 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 0.00 0.00 0.00 97 G 9.35 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 98 G 8.40 3.79 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 0.00 0.00 0.00 99 T 7.40 4.61 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 0.59 0.00 0.00 100 L 7.69 4.32 0.00 1.41 1.36 0.41 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.58 5.17 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 F 7.91 5.61 0.00 2.98 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 0.00 109 G 9.79 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 0.00 0.00 0.00 110 A 8.90 4.67 1.32 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 0.00 111 G 8.44 3.30 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 0.00 112 T 8.68 4.79 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 1.28 0.00 0.00 113 R 8.89 4.89 0.00 1.88 1.87 0.00 3.25 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 114 L 9.19 5.69 0.00 1.75 1.67 0.98 0.93 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 0.00 115 S 8.34 4.66 0.00 3.77 3.71 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 0.00 116 V 9.34 4.73 2.29 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 1.10 0.00 0.00 0.97 0.00 0.00 117 L 8.55 4.46 0.00 1.63 1.57 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.