NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 F 4.6867 8.1827 122.8234 58.2835 41.8195 176.6416 8 S 3.9152 8.3284 114.7847 60.9966 62.1331 174.5250 9 A 3.9769 8.1289 123.2090 54.9450 18.5889 178.7520 10 L 3.7825 7.6932 118.3230 57.8992 42.2848 178.6019 11 W 4.1727 8.1644 128.6347 60.8624 30.4981 177.9898 12 Q 3.8482 8.1062 117.6341 58.8864 27.8238 179.0774 13 R 3.7785 7.5577 118.5815 59.0044 30.1410 178.7196 14 L 3.8620 7.6557 118.9588 57.5393 41.6149 179.4267 15 L 3.8066 7.4371 118.9161 57.6128 41.3789 179.1978 16 T 4.0381 7.7225 114.4484 65.4481 68.4038 175.9746 17 R 3.8338 6.9446 118.9976 56.5277 30.2843 177.3534 18 G 3.9450 8.0961 107.7550 44.4034 0.0000 173.9876 19 W 4.6708 7.5320 119.6119 57.2639 29.7142 175.8460 20 Q 4.3976 8.7107 123.4773 54.8503 29.7255 173.7675 21 P 5.2364 0.0000 0.0000 62.6719 32.5149 176.1902 22 V 4.4939 8.7531 116.3593 59.9482 34.6061 176.0192 23 E 4.4075 8.7191 124.7510 55.2706 31.3433 178.0280 24 A 4.5250 8.5561 122.2277 52.0405 17.3934 178.3046 25 S 4.3631 9.2263 116.8738 59.4940 66.7390 174.7658 *34 V 4.0594 8.4376 119.1799 61.6064 34.0624 175.0372 35 G 3.8916 7.7307 105.3027 44.3727 0.0000 173.7501 36 D 4.9629 8.7698 125.1216 53.5729 41.9607 175.8646 37 G 4.6331 8.6852 109.8585 45.5473 0.0000 171.0716 38 V 5.1669 9.1810 119.5343 59.7441 35.1171 174.5238 39 I 4.8737 8.8233 123.5739 59.6455 39.8814 174.3586 40 L 4.9335 8.6895 127.5907 53.3633 43.6437 175.4021 41 L 4.8116 8.8487 124.5429 53.2495 43.7537 175.9125 42 S 5.1134 8.6802 119.5535 56.8384 65.5676 173.3621 43 S 4.4462 8.3233 116.1031 55.7055 65.5818 172.9708 44 D 4.1938 8.4722 122.2411 54.1622 40.6297 175.4894 45 P 4.3338 0.0000 0.0000 65.7321 31.6957 178.0426 46 R 4.4814 7.7171 118.5110 55.2677 28.9831 176.8755 47 R 4.7951 8.9534 127.1956 57.3229 33.0290 174.3924 *52 S 4.4920 8.0285 110.3876 58.1943 63.8686 173.2459 53 D 4.9085 7.9485 116.9153 54.4206 41.8797 176.5565 54 N 4.4884 8.2478 118.0469 56.1452 39.4281 174.0113 55 P 4.6253 0.0000 0.0000 66.0246 31.7689 179.1074 56 V 3.7136 7.9557 108.2257 62.8322 32.0145 178.1580 *58 I 3.9793 7.9466 121.7180 61.4830 39.0912 177.5310 59 A 4.1317 8.6971 122.2320 55.6126 17.8195 179.3659 60 E 3.9591 8.2786 116.2830 59.2546 30.0179 178.6231 61 L 4.4061 8.0230 118.5595 58.0348 41.7539 179.1615 62 L 3.6372 7.9301 118.7903 57.9159 41.3464 179.5168 63 R 4.0863 7.7257 116.7212 59.5765 30.0552 177.5282 64 E 4.5264 8.1398 114.9066 56.3160 31.3024 177.3015 65 F 5.5323 8.5913 118.0464 54.4103 39.4832 173.7695 66 P 4.6894 0.0000 0.0000 64.2991 32.1319 178.0905 67 Q 3.9154 7.9009 117.3555 58.8004 28.7805 176.9794 68 F 4.4713 7.6823 114.9776 56.6393 40.6328 176.0507 69 D 4.7576 8.0927 123.7593 52.0908 39.6098 176.1128 70 W 4.7116 7.7138 119.3292 57.6690 30.3618 177.0449 71 Q 4.9074 9.1125 121.7819 54.1973 31.9576 174.6823 72 V 4.7106 8.1746 119.6675 61.0862 34.9647 174.0681 73 A 5.1696 8.5632 127.6079 50.4076 22.9114 174.9287 74 V 5.0572 9.0471 118.7612 61.0719 35.6838 174.1213 75 A 5.2898 8.5039 126.7243 49.9673 21.1855 176.6169 76 D 4.0400 8.4311 121.7120 52.6547 40.4304 176.7122 77 L 3.4947 7.7975 118.0603 58.1428 41.5760 179.1711 78 E 3.9700 7.9482 117.6609 59.5214 29.6527 179.0955 79 Q 4.1280 7.8738 116.7521 57.9871 28.4979 178.6154 80 S 4.3152 7.3620 115.4951 60.6251 63.2086 175.6638 81 E 4.0463 7.9979 121.4775 59.2561 29.8791 178.2341 82 A 4.3098 7.9639 120.0239 54.7414 19.2584 178.0975 83 I 4.4431 7.7657 121.9825 60.1403 35.2505 174.9588 84 G 4.2688 8.1917 120.4100 46.5718 0.0000 173.0341 85 D 4.3607 7.6457 120.1669 56.9704 41.0650 178.9752 86 R 3.7140 7.9304 117.3138 59.0639 29.9613 176.7120 87 F 4.6942 8.0713 113.0629 56.3725 39.2977 174.5844 88 N 4.0220 9.5561 117.1872 54.4385 37.6000 174.9144 89 V 3.9162 9.1764 117.2893 61.6962 31.0398 175.2248 90 R 4.1782 8.1986 126.3933 56.2996 31.0200 177.0124 91 R 4.4331 7.3159 116.0163 53.9925 32.6379 174.8560 92 F 5.2467 8.1245 119.1722 54.8548 42.8157 173.2981 93 P 4.9130 0.0000 0.0000 62.9419 32.6417 175.1761 94 A 5.2077 8.9264 122.8317 50.8852 23.4883 175.2860 95 T 4.9603 9.6746 115.7958 62.2987 73.2693 173.1745 96 L 4.4637 8.9244 127.3712 53.3869 43.5702 175.6867 97 V 4.3751 7.9009 123.7966 61.3474 33.2349 175.0605 98 F 4.5713 9.2554 127.9703 55.8886 40.8772 174.4625 99 T 4.2017 8.3725 121.4008 63.9053 69.1054 173.6900 100 D 4.5405 8.3876 119.5995 53.6668 41.0570 171.8277 101 G 3.2828 7.6617 103.7476 45.2508 0.0000 172.6514 *106 A 4.0823 8.0732 127.6073 51.3200 19.5813 175.4148 107 L 4.5152 9.1043 124.2251 53.6901 43.4168 176.2361 108 S 4.3882 8.4709 118.7722 58.0407 67.1218 174.7396 109 G 3.6749 8.7013 110.2207 44.7962 0.0000 171.9227 110 I 4.2617 7.7054 118.1698 59.5658 38.9977 174.6575 111 H 5.0038 8.3278 123.5825 52.5011 32.8125 172.1557 112 P 4.5029 0.0000 0.0000 61.9824 33.2533 177.5282 113 W 4.4071 8.7670 130.5472 60.7114 30.6520 177.8406 114 A 3.6749 8.2367 120.0364 55.2588 17.7528 178.8824 115 E 3.7482 8.0200 116.7890 59.2792 29.4977 178.2931 116 L 3.7141 7.2425 118.7097 58.2455 42.1202 178.2818 117 L 3.7372 6.7107 118.3078 58.5465 42.1559 178.8540 118 T 4.0449 7.4334 115.5515 66.2878 68.2980 176.7211 119 L 3.8092 7.5281 117.6968 55.5859 41.2813 178.7436 *121 R 4.4463 7.9491 121.9703 56.4726 31.8543 177.5667 122 S 4.1623 7.9608 111.8343 61.1243 62.6890 175.2609 123 I 3.8050 7.5860 120.3288 64.4049 37.0869 177.7368 124 V 3.7740 7.8333 118.3700 65.9334 31.6915 175.2771 125 D 4.6137 7.9773 122.6491 54.5513 40.7124 176.1703 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 7 F 8.18 4.69 0.00 3.14 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 8 S 8.33 3.92 0.00 4.07 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 9 A 8.13 3.98 1.31 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 0.00 0.00 0.00 10 L 7.69 3.78 0.00 1.74 1.64 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.16 4.17 0.00 2.63 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 12 Q 8.11 3.85 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 13 R 7.56 3.78 0.00 1.90 1.86 0.00 3.12 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 14 L 7.66 3.86 0.00 1.61 1.75 1.11 0.83 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 15 L 7.44 3.81 0.00 1.37 1.45 0.44 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.72 4.04 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 1.09 0.00 0.00 17 R 6.94 3.83 0.00 0.90 0.66 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.27 0.00 18 G 8.10 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 19 W 7.53 4.67 0.00 3.38 2.92 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 20 Q 8.71 4.40 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 21 P 0.00 5.24 0.00 2.11 2.37 0.00 3.66 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 2.08 2.00 0.00 22 V 8.75 4.49 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 0.70 0.00 0.00 1.06 0.00 0.00 23 E 8.72 4.41 0.00 2.11 1.94 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 2.41 2.39 0.00 24 A 8.56 4.52 1.34 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 0.00 0.00 25 S 9.23 4.36 0.00 3.85 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 *34 V 8.44 4.06 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 0.50 0.00 0.00 0.75 0.00 0.00 35 G 7.73 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 0.00 0.00 0.00 36 D 8.77 4.96 0.00 2.52 2.26 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 37 G 8.69 4.63 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 0.00 0.00 0.00 38 V 9.18 5.17 1.94 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 0.45 0.00 0.00 0.79 0.00 0.00 39 I 8.82 4.87 1.91 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 1.19 0.92 0.98 0.00 0.00 40 L 8.69 4.93 0.00 1.63 1.62 0.74 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.85 4.81 0.00 1.81 1.64 1.21 0.53 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 42 S 8.68 5.11 0.00 3.97 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 43 S 8.32 4.45 0.00 3.79 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 44 D 8.47 4.19 0.00 2.66 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 45 P 0.00 4.33 0.00 2.32 2.23 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 46 R 7.72 4.48 0.00 1.78 1.96 0.00 3.62 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 47 R 8.95 4.80 0.00 1.78 1.94 0.00 3.36 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 *52 S 8.03 4.49 0.00 3.98 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 53 D 7.95 4.91 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 54 N 8.25 4.49 0.00 2.73 2.94 0.00 0.00 7.07 7.69 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 55 P 0.00 4.63 0.00 2.33 2.38 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 56 V 7.96 3.71 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 0.77 0.00 0.00 1.06 0.00 0.00 *58 I 7.95 3.98 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.80 0.68 0.00 0.00 59 A 8.70 4.13 1.54 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 60 E 8.28 3.96 0.00 2.23 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 0.00 2.25 2.21 0.00 61 L 8.02 4.41 0.00 1.87 1.51 0.66 0.55 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 62 L 7.93 3.64 0.00 1.70 1.71 0.84 -0.27 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 63 R 7.73 4.09 0.00 2.17 2.17 0.00 3.44 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 1.71 1.76 0.00 64 E 8.14 4.53 0.00 2.45 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 0.00 2.56 2.89 0.00 65 F 8.59 5.53 0.00 3.32 3.65 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 66 P 0.00 4.69 0.00 2.08 2.18 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 67 Q 7.90 3.92 0.00 1.66 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 68 F 7.68 4.47 0.00 1.51 2.32 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 69 D 8.09 4.76 0.00 2.64 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 70 W 7.71 4.71 0.00 3.23 3.14 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 71 Q 9.11 4.91 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 72 V 8.17 4.71 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 -0.58 0.00 0.00 0.56 0.00 0.00 73 A 8.56 5.17 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 74 V 9.05 5.06 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 1.53 0.00 0.00 1.12 0.00 0.00 75 A 8.50 5.29 1.31 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 0.00 0.00 0.00 76 D 8.43 4.04 0.00 2.14 1.82 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 77 L 7.80 3.49 0.00 1.21 1.37 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.95 3.97 0.00 2.08 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 2.35 0.00 79 Q 7.87 4.13 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 80 S 7.36 4.32 0.00 3.85 3.51 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 81 E 8.00 4.05 0.00 1.87 2.15 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 2.35 2.34 0.00 82 A 7.96 4.31 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 83 I 7.77 4.44 2.12 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 1.39 0.71 1.11 0.00 0.00 84 G 8.19 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 0.00 0.00 0.00 0.00 85 D 7.65 4.36 0.00 2.81 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 86 R 7.93 3.71 0.00 1.67 1.94 0.00 3.08 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 87 F 8.07 4.69 0.00 3.09 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 88 N 9.56 4.02 0.00 2.82 2.84 0.00 0.00 6.96 7.59 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 89 V 9.18 3.92 2.20 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 0.54 0.00 0.00 0.97 0.00 0.00 90 R 8.20 4.18 0.00 1.70 1.85 0.00 3.22 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 91 R 7.32 4.43 0.00 1.59 1.68 0.00 3.08 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 92 F 8.12 5.25 0.00 2.93 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 93 P 0.00 4.91 0.00 2.14 2.06 0.00 3.58 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 2.18 2.19 0.00 94 A 8.93 5.21 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 95 T 9.67 4.96 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 1.09 0.00 0.00 96 L 8.92 4.46 0.00 1.54 0.99 0.43 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.90 4.38 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 0.83 0.00 0.00 0.67 0.00 0.00 98 F 9.26 4.57 0.00 3.19 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 99 T 8.37 4.20 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 1.19 0.00 0.00 100 D 8.39 4.54 0.00 2.79 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 0.00 101 G 7.66 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 0.00 0.00 0.00 *106 A 8.07 4.08 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 0.00 107 L 9.10 4.52 0.00 1.45 1.53 0.73 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.47 4.39 0.00 3.61 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 0.00 109 G 8.70 3.67 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 0.00 0.00 0.00 110 I 7.71 4.26 1.86 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 1.41 0.93 0.88 0.00 0.00 111 H 8.33 5.00 0.00 3.05 3.05 0.00 5.95 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 0.00 112 P 0.00 4.50 0.00 2.19 2.03 0.00 3.66 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 2.14 2.17 0.00 113 W 8.77 4.41 0.00 3.48 3.14 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 0.00 114 A 8.24 3.67 1.34 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 0.00 0.00 115 E 8.02 3.75 0.00 1.99 2.02 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 2.15 2.26 0.00 116 L 7.24 3.71 0.00 1.56 1.47 0.86 1.04 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 0.00 117 L 6.71 3.74 0.00 0.57 1.36 1.06 1.14 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 0.00 118 T 7.43 4.04 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 1.16 0.00 0.00 119 L 7.53 3.81 0.00 1.72 1.53 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 7.95 4.45 0.00 2.20 2.14 0.00 3.22 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 122 S 7.96 4.16 0.00 3.86 3.99 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 0.00 123 I 7.59 3.81 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.81 0.00 0.00 124 V 7.83 3.77 2.31 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 1.26 0.00 0.00 0.91 0.00 0.00 125 D 7.98 4.61 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.