NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.7100 8.5445 117.3758 54.3430 29.3073 173.5476 *0 H 4.3521 8.6210 122.5030 51.3004 28.6723 166.2969 1 V 4.1046 8.0195 123.1924 60.2692 33.3461 175.9852 2 S 4.5534 8.4922 118.6980 57.9830 63.8701 173.4815 3 D 4.6107 9.6381 123.7427 54.3967 41.1426 176.9404 4 I 4.4729 7.9148 123.5214 58.2065 38.4327 172.4722 5 P 4.1113 0.0000 0.0000 62.6985 31.6037 177.9709 6 S 4.3333 8.6394 117.0307 60.2570 63.2561 174.3572 7 D 4.7201 7.8699 119.4834 52.9575 39.4433 175.4446 8 L 4.8634 7.2493 117.5605 53.6903 45.0081 175.3105 9 H 5.1327 8.8668 117.6350 54.7196 31.9132 173.3823 10 Y 5.2426 9.1729 116.7792 56.7730 42.6357 174.6169 11 T 4.9965 8.7546 111.2581 59.7061 71.4162 175.4930 12 A 4.0635 8.8567 125.1918 55.0487 18.5155 178.3094 13 E 4.4538 8.1397 113.5039 56.5397 29.7404 175.5147 14 H 4.4218 8.4284 114.8639 57.9218 26.3520 174.1750 15 E 5.2592 8.1040 117.4908 54.5124 32.4019 175.5284 16 W 5.0357 8.5234 119.1489 54.8230 32.0225 174.7024 17 I 4.8835 8.9790 121.2862 59.9200 40.7440 174.0803 18 R 4.8594 9.5399 128.5998 54.2313 32.3003 175.1536 19 R 4.3910 8.7766 127.1951 56.4018 29.8086 175.7741 20 S 4.4487 8.7511 121.2558 59.2854 64.0161 173.7438 21 G 4.0700 7.4632 108.4504 44.7077 0.0000 173.2799 22 D 4.3686 8.8589 118.8161 56.7156 40.6895 177.5646 23 D 4.9438 8.0753 114.9851 52.8912 40.3738 174.7772 24 T 5.1120 7.7454 116.9062 62.1213 72.3724 173.2970 25 V 4.8827 9.0104 118.6560 59.6059 35.4306 174.5931 26 R 5.2473 9.1165 123.9050 54.1651 32.6477 175.1003 27 V 4.5566 8.3590 124.0884 60.1493 35.3717 174.7669 28 G 3.7217 5.7625 112.0604 45.2473 0.0000 170.8753 29 I 5.1920 8.2223 112.7590 59.2286 40.0719 175.7495 30 T 4.4569 8.9708 114.4892 61.4843 70.1611 174.8575 31 D 4.3106 9.0566 121.4841 57.9046 41.0992 177.9672 32 Y 4.0796 8.3873 118.9961 60.6710 38.7871 177.8157 33 A 3.9810 8.4097 121.8956 55.2099 18.6869 179.6027 34 Q 3.9120 8.2701 116.3344 59.5235 28.4064 178.7238 35 S 4.0244 7.8980 113.9744 60.9248 62.4904 175.7046 36 A 3.9515 7.5602 122.5612 54.8766 18.1375 179.0715 37 L 4.0303 7.8707 118.4086 57.2031 42.4523 176.7918 38 G 3.7597 7.9229 102.3522 43.8786 0.0000 172.4661 39 D 4.4571 8.6583 117.6721 54.6648 40.9209 176.6383 40 V 4.2201 9.4097 125.5791 62.9596 31.7740 175.8422 41 V 4.3329 8.4914 120.5947 62.0786 33.2144 175.9888 42 F 4.9400 7.7650 121.1743 56.9583 42.9108 173.0485 43 V 4.3446 6.9694 124.1271 61.1160 34.1124 174.1700 44 Q 4.0599 8.8556 130.8253 54.7138 30.0273 174.3537 45 L 4.8521 8.0440 126.1219 51.9979 44.8184 174.5152 46 P 4.5317 0.0000 0.0000 61.9187 33.0743 175.9137 47 V 3.7858 8.0927 119.4022 62.0965 32.1710 175.2808 48 I 4.0079 8.0799 127.2527 62.9067 37.3058 176.4203 49 G 4.0308 9.1076 113.5415 45.2758 0.0000 173.7337 50 T 4.1706 7.9495 117.8413 63.0662 69.3860 173.9614 51 A 4.6013 8.7242 129.3461 52.1294 19.1025 176.8454 52 V 4.8194 9.5428 116.7539 59.6554 35.8669 174.8722 53 T 4.9225 9.0896 113.2882 59.2696 71.7700 173.6294 54 A 4.1596 8.4239 126.5372 54.4360 18.6174 178.4809 55 G 3.8641 9.5747 112.8329 44.9186 0.0000 173.2973 56 E 4.1824 7.8945 122.0965 56.0529 30.9002 175.9724 57 T 4.4066 8.6921 124.0740 63.5629 68.8550 173.8979 58 F 4.9249 8.8875 120.6838 55.7760 39.3852 175.0192 59 G 4.0670 7.7498 105.5498 47.5294 0.0000 171.8052 60 E 5.3496 8.3159 116.2886 55.1285 33.3964 174.5848 61 V 4.7784 8.9645 121.0993 59.9506 34.7269 174.0613 62 E 5.1700 9.3444 124.3929 54.7517 32.9097 175.0472 63 S 5.6043 9.6048 122.4327 56.0862 65.6837 175.1604 64 T 3.9411 8.5816 109.4777 64.0408 68.6568 175.4351 65 K 4.2853 7.3800 117.3858 57.8599 33.6973 176.9348 66 S 4.7594 8.7099 114.3783 56.3930 66.7368 172.8723 67 V 4.7978 8.2341 121.4244 61.0833 34.2612 174.7263 68 S 4.7394 9.1972 120.9417 56.3191 65.5477 172.8939 69 D 4.7745 8.9032 126.7142 54.5278 41.6323 175.4376 70 L 4.7511 8.8887 122.4173 53.4241 43.9309 175.1354 71 Y 4.9621 9.3589 120.8394 55.5674 40.9226 175.5428 72 A 3.1963 7.9897 125.1864 51.3833 18.5982 177.0747 73 P 3.6898 0.0000 0.0000 64.7908 31.8602 176.4605 74 I 4.7002 7.1357 109.2524 58.7496 40.7565 174.6160 75 S 4.6191 8.4923 117.1669 57.5331 64.1999 175.6328 76 G 4.0498 7.8925 113.4892 46.8081 0.0000 171.8522 77 K 5.1163 8.3370 124.3643 52.9400 36.2084 173.0107 78 V 4.1938 8.9872 125.6443 62.8915 31.7556 176.3029 79 S 4.9422 9.1267 122.6922 58.8111 64.8919 173.9827 80 E 4.9519 7.9239 118.4517 55.2992 33.9446 174.4005 81 V 4.7026 8.2377 114.0306 59.0079 36.3155 176.1019 82 N 3.6836 8.3736 122.8683 52.1415 38.4799 176.0838 83 S 4.0963 8.2818 124.2461 61.0336 63.1223 175.7620 84 D 4.3770 8.0186 122.3435 57.0437 40.2528 178.1475 85 L 4.0710 7.3754 117.8049 56.3356 41.6604 178.3878 86 D 4.4901 7.7482 118.3462 57.2282 41.3222 177.7503 87 G 3.8985 7.9108 103.4496 45.7052 0.0000 173.8515 88 T 4.7226 7.9909 116.8052 60.6993 69.0674 173.0271 89 P 4.2964 0.0000 0.0000 65.7454 31.8619 177.9869 90 Q 4.4228 7.9608 115.9150 56.9673 28.6229 177.5417 91 L 4.3965 7.8372 122.9353 57.1983 41.3857 179.4377 92 V 3.6124 7.9468 118.0935 66.0899 31.1990 177.9493 93 N 4.9693 8.1146 116.1438 55.8067 39.0634 177.2074 94 S 4.3756 8.7512 115.8613 60.3672 64.5166 173.9335 95 D 5.0124 8.4337 121.9994 52.0555 41.3973 173.7707 96 P 4.4427 0.0000 0.0000 65.0271 31.7773 177.5229 97 Y 3.9056 7.5719 113.5444 57.4407 40.4233 175.4849 98 G 3.8852 8.8376 107.9269 45.6602 0.0000 175.6414 99 A 4.4356 7.1309 129.4364 54.0998 19.0096 179.8522 100 G 3.9665 8.1331 103.6807 44.7558 0.0000 174.0745 101 W 4.6781 8.0660 116.8670 57.3283 28.7676 175.6867 102 L 4.2218 9.0176 120.2856 55.9983 42.8958 176.3196 103 L 5.0562 7.5499 116.0433 55.3928 43.5901 172.6946 104 D 5.4951 9.1403 119.0701 52.7176 44.4310 175.3970 105 I 4.7595 8.9192 122.6240 59.5917 40.4719 174.1976 106 Q 5.0624 9.4435 128.4070 54.4347 31.3876 174.3575 107 V 4.6665 9.3243 120.2854 59.5511 34.3174 174.7644 108 D 4.7719 8.4234 124.3975 53.3747 42.2370 177.5087 109 S 4.0481 8.3834 122.1717 61.6569 63.8481 175.6782 110 S 4.2600 8.1866 116.5852 61.3621 62.7134 175.7793 111 D 4.5032 8.0208 118.1980 56.8088 40.8911 176.6405 112 V 4.4650 7.9601 109.8681 58.9061 35.9691 174.4474 113 A 3.8880 8.6084 122.9942 52.7352 18.6196 178.1387 114 A 4.0924 8.6278 123.7465 52.2565 20.3015 178.4761 115 L 3.8948 8.6522 126.1810 58.9194 42.0843 179.8323 116 E 3.9323 8.1716 116.4655 61.5455 29.8042 181.0236 117 S 4.4045 8.0520 115.2693 61.3450 63.2175 176.1831 118 A 3.9651 8.3214 123.9068 55.6333 18.0771 179.7252 119 L 3.9666 8.3853 117.2383 57.5017 41.3641 179.5715 120 T 4.0189 8.0104 109.7481 64.1808 68.8597 176.0277 121 T 4.1282 7.6838 111.0610 62.3098 69.3182 174.2094 122 L 4.7282 7.0414 121.5811 53.3892 44.1131 176.0255 123 L 4.7202 9.2781 121.4358 54.1446 43.8098 176.5928 124 D 5.0517 8.6160 121.4882 52.2783 41.6878 177.0013 125 A 3.9701 8.8523 119.7965 55.3870 18.0992 179.4339 126 E 3.8257 8.2128 116.9382 59.3666 29.6602 178.7167 127 A 3.9720 8.4197 119.9423 55.1336 18.2317 178.6430 128 Y 4.2050 8.5514 118.3979 60.8978 38.8858 177.9987 129 R 3.6439 8.1935 120.1240 59.6494 29.8347 178.2343 130 G 3.7819 7.8883 104.0352 48.2885 0.0000 175.3483 131 T 3.9325 7.4050 110.5396 62.9784 69.2030 175.0169 132 L 3.6949 7.2525 122.4260 54.3524 42.1731 176.5786 133 T 4.3539 8.3455 122.3268 62.7122 69.0000 175.0735 134 E 4.4798 8.5647 121.6821 55.9062 30.7344 172.9269 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 H 8.54 4.71 0.00 2.95 2.96 0.00 7.17 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 8.62 4.35 0.00 3.01 2.88 0.00 7.16 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.02 4.10 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 0.92 0.00 0.00 0.94 0.00 0.00 2 S 8.49 4.55 0.00 4.26 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 3 D 9.64 4.61 0.00 2.95 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 4 I 7.91 4.47 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.62 0.00 0.00 5 P 0.00 4.11 0.00 1.76 1.79 0.00 2.51 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.55 0.00 6 S 8.64 4.33 0.00 3.96 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 7 D 7.87 4.72 0.00 2.74 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 8 L 7.25 4.86 0.00 1.22 1.12 0.19 0.94 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 9 H 8.87 5.13 0.00 3.04 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 9.17 5.24 0.00 2.79 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 0.00 0.00 0.00 0.00 11 T 8.75 5.00 4.38 0.00 0.00 0.00 0.00 0.00 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 12 A 8.86 4.06 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 13 E 8.14 4.45 0.00 2.05 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 2.02 2.36 0.00 14 H 8.43 4.42 0.00 3.65 3.88 0.00 5.59 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.10 5.26 0.00 1.97 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 0.00 2.37 2.33 0.00 16 W 8.52 5.04 0.00 3.04 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 17 I 8.98 4.88 1.87 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 1.08 0.55 0.91 0.00 0.00 18 R 9.54 4.86 0.00 2.13 2.07 0.00 3.15 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 19 R 8.78 4.39 0.00 1.83 1.87 0.00 3.28 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 20 S 8.75 4.45 0.00 3.94 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 21 G 7.46 4.07 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 0.00 0.00 0.00 22 D 8.86 4.37 0.00 2.67 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 23 D 8.08 4.94 0.00 3.07 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 24 T 7.75 5.11 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 1.24 0.00 0.00 25 V 9.01 4.88 2.09 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 0.67 0.00 0.00 1.00 0.00 0.00 26 R 9.12 5.25 0.00 1.81 1.92 0.00 2.88 0.00 0.00 2.73 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 27 V 8.36 4.56 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 0.59 0.00 0.00 0.88 0.00 0.00 28 G 5.76 3.72 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 0.00 0.00 0.00 29 I 8.22 5.19 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.94 0.00 0.00 30 T 8.97 4.46 4.76 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 1.56 0.00 0.00 31 D 9.06 4.31 0.00 3.01 3.11 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 32 Y 8.39 4.08 0.00 3.23 3.16 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 33 A 8.41 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.27 3.91 0.00 2.33 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 35 S 7.90 4.02 0.00 3.94 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 36 A 7.56 3.95 1.02 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 37 L 7.87 4.03 0.00 1.76 1.83 0.93 1.28 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 38 G 7.92 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 39 D 8.66 4.46 0.00 2.71 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 40 V 9.41 4.22 2.21 0.00 0.00 0.00 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 0.99 0.00 0.00 41 V 8.49 4.33 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 0.75 0.00 0.00 1.04 0.00 0.00 42 F 7.77 4.94 0.00 3.04 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 43 V 6.97 4.34 1.72 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 0.55 0.00 0.00 0.75 0.00 0.00 44 Q 8.86 4.06 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.46 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 45 L 8.04 4.85 0.00 1.28 1.24 0.63 0.75 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 P 0.00 4.53 0.00 2.01 2.09 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.26 0.00 47 V 8.09 3.79 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 0.97 0.00 0.00 0.91 0.00 0.00 48 I 8.08 4.01 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 1.02 0.00 0.00 49 G 9.11 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 0.00 0.00 0.00 50 T 7.95 4.17 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 51 A 8.72 4.60 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 52 V 9.54 4.82 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 1.09 0.00 0.00 1.04 0.00 0.00 53 T 9.09 4.92 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 54 A 8.42 4.16 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 55 G 9.57 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 56 E 7.89 4.18 0.00 2.11 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 2.31 2.30 0.00 57 T 8.69 4.41 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 1.20 0.00 0.00 58 F 8.89 4.92 0.00 2.81 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 59 G 7.75 4.07 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 0.00 0.00 0.00 60 E 8.32 5.35 0.00 2.07 1.98 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 2.21 2.25 0.00 61 V 8.96 4.78 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 0.77 0.00 0.00 0.88 0.00 0.00 62 E 9.34 5.17 0.00 2.07 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 2.28 2.28 0.00 63 S 9.60 5.60 0.00 3.97 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 64 T 8.58 3.94 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 1.21 0.00 0.00 65 K 7.38 4.29 0.00 1.95 1.97 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 66 S 8.71 4.76 0.00 3.93 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 67 V 8.23 4.80 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 0.86 0.00 0.00 0.96 0.00 0.00 68 S 9.20 4.74 0.00 3.86 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 69 D 8.90 4.77 0.00 2.39 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 0.00 0.00 0.00 70 L 8.89 4.75 0.00 1.64 1.79 0.83 1.03 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 71 Y 9.36 4.96 0.00 2.73 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 72 A 7.99 3.20 0.86 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 73 P 0.00 3.69 0.00 2.02 2.09 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.23 0.00 74 I 7.14 4.70 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.88 0.00 0.00 75 S 8.49 4.62 0.00 3.87 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 76 G 7.89 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 77 K 8.34 5.12 0.00 1.35 1.62 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 78 V 8.99 4.19 2.22 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 0.87 0.00 0.00 0.96 0.00 0.00 79 S 9.13 4.94 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 80 E 7.92 4.95 0.00 2.13 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 0.00 2.34 2.36 0.00 81 V 8.24 4.70 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 0.60 0.00 0.00 0.86 0.00 0.00 82 N 8.37 3.68 0.00 1.44 1.78 0.00 0.00 7.07 6.86 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 83 S 8.28 4.10 0.00 4.04 4.07 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 84 D 8.02 4.38 0.00 2.77 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 85 L 7.38 4.07 0.00 1.42 1.53 0.66 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.75 4.49 0.00 2.66 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 87 G 7.91 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 0.00 0.00 0.00 88 T 7.99 4.72 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 1.20 0.00 0.00 89 P 0.00 4.30 0.00 2.30 2.36 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 90 Q 7.96 4.42 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 91 L 7.84 4.40 0.00 1.72 1.84 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.95 3.61 2.13 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 1.02 0.00 0.00 0.90 0.00 0.00 93 N 8.11 4.97 0.00 2.86 2.90 0.00 0.00 7.32 7.57 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 94 S 8.75 4.38 0.00 4.01 4.12 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 95 D 8.43 5.01 0.00 2.71 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 96 P 0.00 4.44 0.00 1.72 2.15 0.00 3.37 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 97 Y 7.57 3.91 0.00 2.81 2.40 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 98 G 8.84 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 99 A 7.13 4.44 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 0.00 100 G 8.13 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 0.00 0.00 0.00 101 W 8.07 4.68 0.00 3.76 3.62 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 0.00 102 L 9.02 4.22 0.00 1.50 1.49 0.79 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.55 5.06 0.00 1.91 1.57 0.98 -0.11 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 0.00 104 D 9.14 5.50 0.00 2.70 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 0.00 105 I 8.92 4.76 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.96 0.00 0.00 106 Q 9.44 5.06 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 107 V 9.32 4.67 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 0.70 0.00 0.00 0.93 0.00 0.00 108 D 8.42 4.77 0.00 2.74 2.65 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 0.00 109 S 8.38 4.05 0.00 4.03 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 0.00 110 S 8.19 4.26 0.00 3.95 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 0.00 111 D 8.02 4.50 0.00 2.67 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 0.00 112 V 7.96 4.47 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 0.66 0.00 0.00 1.04 0.00 0.00 113 A 8.61 3.89 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 0.00 114 A 8.63 4.09 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 0.00 115 L 8.65 3.89 0.00 1.76 1.67 0.91 1.03 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 0.00 116 E 8.17 3.93 0.00 2.10 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 2.25 2.02 0.00 117 S 8.05 4.40 0.00 3.98 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 0.00 118 A 8.32 3.97 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 0.00 119 L 8.39 3.97 0.00 1.71 1.49 0.90 0.47 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 0.00 120 T 8.01 4.02 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 1.28 0.00 0.00 121 T 7.68 4.13 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 1.19 0.00 0.00 122 L 7.04 4.73 0.00 1.62 1.83 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 123 L 9.28 4.72 0.00 1.86 1.73 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.62 5.05 0.00 2.84 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 0.00 125 A 8.85 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.83 0.00 2.05 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 2.36 2.36 0.00 127 A 8.42 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 4.20 0.00 2.88 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 0.00 129 R 8.19 3.64 0.00 1.86 2.03 0.00 3.15 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 130 G 7.89 3.78 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 0.00 0.00 0.00 131 T 7.41 3.93 4.15 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 1.28 0.00 0.00 132 L 7.25 3.69 0.00 1.39 1.21 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.35 4.35 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 0.00 134 E 8.56 4.48 0.00 1.93 1.65 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 2.11 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.