NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6903 8.4249 118.1137 53.8816 39.5404 173.7146 3 T 4.2708 7.1569 112.8669 62.5907 71.8067 173.6259 4 A 2.5800 6.9398 124.3780 52.0726 20.0021 175.8803 5 Y 5.3158 8.0927 119.3766 56.3561 41.8229 173.5857 6 R 4.7971 8.1868 114.7884 55.0577 32.0525 174.6523 7 V 4.4488 8.5052 115.1464 59.2242 34.9900 175.1355 8 W 4.8498 9.1400 134.4545 55.6455 31.9110 176.0196 9 D 4.2908 8.1686 127.5715 54.1725 39.3475 176.4974 10 G 2.3390 5.8441 109.1299 44.7578 0.0000 174.3335 11 E 4.5165 8.4319 118.8968 57.0525 31.9636 175.4551 12 Q 4.4227 7.2226 119.8948 55.6158 32.1780 175.8984 *14 H 4.7955 8.7906 114.6672 55.7584 30.5322 171.1670 15 Y 4.3050 8.5057 121.7079 55.6515 39.2752 176.8688 16 W 3.8067 8.1309 122.0673 59.5406 27.9103 177.1281 17 D 4.1225 6.0734 115.4281 53.6823 39.2697 176.0948 18 D 4.2668 7.8733 123.0113 55.1712 41.5374 177.2202 19 E 3.9918 8.5420 118.5246 57.2418 30.5776 177.0846 20 G 4.2661 8.9642 111.8947 45.2236 0.0000 173.8771 21 L 4.7854 7.3391 118.4314 55.1035 42.5499 177.3623 22 S 4.7834 9.3049 116.5356 57.2174 66.5882 172.6807 23 L 4.7693 8.7422 126.0074 53.8252 43.8111 175.6394 24 I 4.5761 8.4761 125.5227 59.7527 40.5445 174.2544 25 I 4.8258 8.5199 128.3672 60.1845 38.4172 175.8808 26 K 4.5884 9.3659 126.9224 54.6442 34.1490 177.7614 27 S 4.3083 8.9107 118.3240 61.5767 62.8221 175.3681 28 N 4.7041 8.2119 115.4212 52.3703 37.1813 176.0902 29 G 4.0605 8.6446 108.8336 45.9853 0.0000 174.3247 30 D 4.7001 8.0802 119.8663 54.1431 42.2513 175.3238 31 W 5.6022 7.9785 117.0748 55.5510 32.5432 174.5152 32 T 4.7948 8.7789 115.9429 62.6541 73.0209 172.7184 33 L 4.7155 8.9238 129.9596 54.3916 43.6021 175.5108 34 K 5.2155 9.3152 125.5227 54.6288 35.7756 175.1398 35 R 5.0224 9.1247 124.0675 54.5266 33.4514 174.5575 36 L 4.5385 7.9633 125.3244 53.9586 42.3121 175.2871 37 Y 4.1424 8.9973 131.1343 58.5528 40.6380 178.0730 38 T 4.0770 8.5920 116.5341 61.8405 68.4068 177.7176 39 D 5.0699 9.1922 113.8933 53.0026 42.4421 177.7784 40 V 4.4602 7.6691 119.4903 61.7952 33.7407 174.1540 41 L 4.8741 8.5116 126.9713 54.1483 42.6435 176.2404 42 V 4.3870 9.3460 118.9095 58.7288 34.1973 173.4440 43 P 4.5419 0.0000 0.0000 63.1364 31.0938 176.4384 44 V 3.9555 8.6300 126.0891 65.1724 31.9595 176.0430 45 V 4.5414 7.4364 117.1862 61.1087 35.4191 171.8620 46 D 4.1459 8.2591 117.7950 52.6415 43.6871 175.8296 47 S 3.5092 6.5251 120.2013 61.2988 62.5483 175.9378 48 T 3.7616 7.6876 108.6145 63.1614 68.8726 174.3764 49 N 4.4807 8.0978 122.5195 52.2888 37.3836 175.3791 50 R 4.0943 8.3756 123.5050 57.8810 30.4514 177.4506 51 N 4.6514 8.9422 114.8860 54.4249 39.2813 175.2697 52 A 4.7386 8.2391 119.8171 51.8513 19.8564 176.5623 53 A 4.8108 9.0668 119.2234 50.8985 23.0011 175.4490 54 L 4.3152 8.1889 121.8415 52.6165 45.5349 175.3031 *56 W 4.8717 8.3355 119.6173 56.5377 30.1588 174.4997 57 G 4.1878 9.0287 107.7668 43.6486 0.0000 172.7300 58 A 4.5007 7.4843 124.3595 49.3798 21.8517 175.2262 59 K 4.7623 8.5041 123.7692 55.6316 33.1442 176.7038 60 V 4.0719 8.6550 124.4379 62.2071 34.5312 173.1012 61 R 3.7497 8.9282 122.9169 57.2093 26.7464 178.1673 62 G 3.8627 8.2315 104.2377 45.8971 0.0000 173.9732 63 K 4.6010 7.1868 119.2482 54.5862 35.6785 174.4069 64 F 6.0812 8.8815 118.3936 55.3005 41.9836 174.8320 65 I 4.5351 8.1360 116.1942 59.7855 40.6713 174.5316 66 Y 5.4167 8.5753 116.8673 57.3356 39.7123 177.5874 67 D 5.2125 7.7394 118.5925 54.6140 42.3270 175.8261 68 R 4.7625 8.2325 118.3021 56.3175 32.1246 177.2216 69 S 5.2352 8.6317 112.1575 58.4958 65.5207 174.0802 70 I 5.1520 8.3834 115.6974 59.3349 41.8992 174.3166 71 V 4.9945 8.7731 125.5651 60.2630 33.1787 175.9175 72 K 4.6277 8.8032 133.1571 54.5343 32.6738 171.9554 73 I 4.8342 8.2307 129.3649 58.5774 36.2181 173.8410 74 T 4.2918 9.5668 122.8398 61.2384 68.7789 172.3461 75 S 4.3534 9.1366 124.1588 61.1620 63.7089 176.3327 76 D 4.3314 7.6026 118.5911 55.3454 38.2485 181.1775 77 D 4.8285 8.0551 117.1652 54.1948 43.7930 179.9976 78 K 4.5695 7.7877 116.1898 56.1047 35.3155 180.0714 79 E 4.1339 8.3090 119.2710 60.6057 29.5863 182.2381 80 S 4.9081 7.6369 112.0014 58.5797 67.0587 179.4592 81 S 5.2375 7.9128 116.0845 58.4120 65.5211 173.2617 82 D 4.3687 7.7138 119.3305 54.2239 44.6156 174.6764 83 V 5.3663 8.4187 119.8874 60.3100 33.6999 174.1687 84 C 4.9405 8.4350 125.1267 57.6038 32.1883 173.1176 85 E 4.4952 8.7814 124.5173 55.9580 30.3657 176.0924 86 V 4.0879 9.4673 128.7358 62.8448 32.6273 174.8937 87 K 4.8778 8.9357 127.3468 54.5500 35.6278 175.3044 88 F 5.0894 8.5690 124.9615 56.9373 40.6579 174.3872 89 S 4.3394 8.9733 119.9472 57.9599 65.4465 173.5072 90 D 4.2472 9.5387 122.7830 55.3169 38.1437 174.3967 91 G 3.9718 9.3771 104.6734 45.6502 0.0000 174.2607 92 V 4.4541 7.7732 117.8741 59.8657 34.5635 173.3276 93 F 4.6128 9.0318 122.6682 57.3741 39.6956 174.4158 94 Q 5.6441 9.4935 122.4792 53.6335 32.2237 174.7157 95 V 4.8029 7.8445 117.1628 60.0033 35.1725 173.3186 96 D 4.7719 8.7898 122.4323 54.3475 41.5643 176.7958 97 V 4.4576 8.9239 124.3460 60.4108 31.4055 177.4563 98 S 4.6621 7.7653 117.9092 56.7033 61.7003 175.8702 99 K 5.3781 7.5104 127.7256 55.7762 35.4395 176.7482 *104 Y 4.7627 7.5095 116.4523 59.2881 38.5467 175.0485 105 D 4.9882 8.9974 118.3636 56.2468 44.4285 176.6359 106 V 5.3800 7.5023 108.2947 59.1729 35.9377 174.8990 107 T 4.3231 8.1921 114.9011 60.8283 70.8685 172.1349 108 A 4.3061 8.3079 127.2710 52.4190 18.7657 179.4008 109 V 3.6169 8.5110 114.4010 63.8757 31.8031 177.7503 110 G 3.9437 7.7954 106.3468 45.4815 0.0000 173.8099 111 W 4.8514 7.8407 120.4178 56.6831 29.8731 176.6420 112 V 3.7005 7.9784 119.2787 61.6512 30.4503 180.1254 113 E 4.2668 8.3501 126.8328 57.2037 30.3832 172.9888 *114 Y 4.5145 7.6543 114.7404 56.9121 38.0223 176.8070 115 A 5.2561 7.7164 121.0436 51.4507 23.3549 176.1306 116 T 4.5592 8.5999 113.1365 60.4497 70.1109 172.5845 117 I 4.8330 8.4665 129.2837 59.6333 39.4175 174.5990 118 E 4.6207 8.6277 126.7142 54.0498 32.4782 174.9079 119 V 4.1682 8.6677 127.8663 63.1321 31.8717 175.3918 120 I 4.4253 8.9582 119.6129 59.7783 39.0420 176.9349 121 G 4.1087 7.4828 110.3551 46.5590 0.0000 170.9796 122 D 4.9052 8.3849 121.9575 52.5137 42.4509 177.4946 123 V 3.4080 7.4176 116.1254 64.3690 31.6844 178.1180 124 Y 3.5301 7.3437 115.6595 61.1595 37.6750 176.9779 125 Q 4.3107 8.8888 116.3419 57.2031 29.6031 176.1140 126 N 5.3131 8.4323 116.3020 50.0523 39.6538 174.1632 127 P 4.1560 0.0000 0.0000 65.7215 31.7680 177.3079 128 E 4.1839 8.0243 115.6363 57.5843 30.2697 177.9422 129 L 3.9914 7.8123 121.4168 57.8541 42.4308 177.3255 130 L 4.3718 7.1533 118.6802 53.7282 40.8359 175.8267 131 E 4.5718 8.1027 115.0125 56.3840 33.9076 176.2985 132 G 3.9345 8.5356 108.0400 46.9658 0.0000 172.7580 133 V 3.9118 7.4589 113.8053 61.8130 33.3176 177.9449 134 K 4.0666 8.1883 121.0628 55.7277 32.3772 172.2167 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 N 8.42 4.69 0.00 2.63 2.75 0.00 0.00 6.73 6.65 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 3 T 7.16 4.27 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 1.09 0.00 0.00 4 A 6.94 2.58 -0.32 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 5 Y 8.09 5.32 0.00 2.39 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 6 R 8.19 4.80 0.00 0.91 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.26 0.00 7 V 8.51 4.45 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 -0.11 0.00 0.00 0.94 0.00 0.00 8 W 9.14 4.85 0.00 2.89 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 9 D 8.17 4.29 0.00 2.73 2.75 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 10 G 5.84 2.34 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 0.00 11 E 8.43 4.52 0.00 1.71 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 2.18 2.20 0.00 12 Q 7.22 4.42 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 *14 H 8.79 4.80 0.00 3.25 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.51 4.30 0.00 2.86 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 16 W 8.13 3.81 0.00 3.13 1.78 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 17 D 6.07 4.12 0.00 2.17 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 18 D 7.87 4.27 0.00 2.67 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 19 E 8.54 3.99 0.00 1.89 1.83 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 2.31 1.88 0.00 20 G 8.96 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 21 L 7.34 4.79 0.00 1.56 1.75 1.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.30 4.78 0.00 3.91 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 23 L 8.74 4.77 0.00 0.94 1.28 0.66 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.48 4.58 1.92 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 1.27 1.04 0.95 0.00 0.00 25 I 8.52 4.83 1.96 0.00 0.00 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 1.51 0.63 1.02 0.00 0.00 26 K 9.37 4.59 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.55 7.81 27 S 8.91 4.31 0.00 3.86 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 28 N 8.21 4.70 0.00 2.82 2.89 0.00 0.00 6.13 7.00 0.00 0.00 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 G 8.64 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 30 D 8.08 4.70 0.00 2.85 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.98 5.60 0.00 3.22 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 T 8.78 4.79 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 1.22 0.00 0.00 33 L 8.92 4.72 0.00 1.87 1.67 1.04 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.32 5.22 0.00 1.83 1.67 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81 35 R 9.12 5.02 0.00 1.85 1.78 0.00 3.13 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 36 L 7.96 4.54 0.00 1.75 1.60 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 9.00 4.14 0.00 2.98 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 38 T 8.59 4.08 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 39 D 9.19 5.07 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.46 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 0.99 0.00 0.00 0.97 0.00 0.00 41 L 8.51 4.87 0.00 1.59 1.63 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 V 9.35 4.39 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 0.72 0.00 0.00 1.05 0.00 0.00 43 P 0.00 4.54 0.00 1.91 2.00 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 44 V 8.63 3.96 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 0.64 0.00 0.00 0.97 0.00 0.00 45 V 7.44 4.54 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 0.92 0.00 0.00 0.95 0.00 0.00 46 D 8.26 4.15 0.00 2.60 2.28 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 47 S 6.53 3.51 0.00 3.15 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 48 T 7.69 3.76 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 49 N 8.10 4.48 0.00 2.57 2.80 0.00 0.00 7.03 7.67 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 50 R 8.38 4.09 0.00 1.84 2.02 0.00 3.42 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 51 N 8.94 4.65 0.00 2.84 2.89 0.00 0.00 6.91 7.67 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 52 A 8.24 4.74 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.07 4.81 1.11 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 0.00 0.00 54 L 8.19 4.32 0.00 0.43 0.90 -0.04 -0.04 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 *56 W 8.34 4.87 0.00 3.80 3.26 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 57 G 9.03 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 58 A 7.48 4.50 -0.14 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 59 K 8.50 4.76 0.00 1.74 1.65 0.00 1.29 0.00 0.00 1.04 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.29 7.81 60 V 8.66 4.07 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 0.89 0.00 0.00 61 R 8.93 3.75 0.00 2.01 2.09 0.00 3.40 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 62 G 8.23 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 63 K 7.19 4.60 0.00 1.83 1.75 0.00 1.48 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.43 7.81 64 F 8.88 6.08 0.00 2.98 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 4.54 1.91 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.93 0.00 0.00 66 Y 8.58 5.42 0.00 2.91 2.99 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 67 D 7.74 5.21 0.00 2.90 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 68 R 8.23 4.76 0.00 1.55 1.82 0.00 3.27 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 69 S 8.63 5.24 0.00 3.76 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 70 I 8.38 5.15 1.90 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 1.32 0.75 1.00 0.00 0.00 71 V 8.77 4.99 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 0.91 0.00 0.00 0.99 0.00 0.00 72 K 8.80 4.63 0.00 1.46 1.77 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.00 7.81 73 I 8.23 4.83 1.87 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 1.09 0.62 0.91 0.00 0.00 74 T 9.57 4.29 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 75 S 9.14 4.35 0.00 3.92 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 76 D 7.60 4.33 0.00 2.67 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 77 D 8.06 4.83 0.00 2.63 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.57 0.00 1.63 1.73 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 0.99 7.81 79 E 8.31 4.13 0.00 1.98 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 2.24 1.90 0.00 80 S 7.64 4.91 0.00 3.40 3.68 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 81 S 7.91 5.24 0.00 3.82 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 82 D 7.71 4.37 0.00 2.71 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 83 V 8.42 5.37 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 0.99 0.00 0.00 0.93 0.00 0.00 84 C 8.43 4.94 0.00 2.88 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 85 E 8.78 4.50 0.00 1.95 1.84 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 2.28 2.28 0.00 86 V 9.47 4.09 2.25 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 1.04 0.00 0.00 0.99 0.00 0.00 87 K 8.94 4.88 0.00 1.74 1.66 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.49 7.81 88 F 8.57 5.09 0.00 2.16 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 89 S 8.97 4.34 0.00 3.80 3.58 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 90 D 9.54 4.25 0.00 2.83 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 91 G 9.38 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 92 V 7.77 4.45 1.96 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 0.72 0.00 0.00 0.74 0.00 0.00 93 F 9.03 4.61 0.00 2.74 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 94 Q 9.49 5.64 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 95 V 7.84 4.80 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 0.69 0.00 0.00 0.95 0.00 0.00 96 D 8.79 4.77 0.00 2.71 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 97 V 8.92 4.46 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 0.84 0.00 0.00 1.08 0.00 0.00 98 S 7.77 4.66 0.00 3.83 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 99 K 7.51 5.38 0.00 1.83 1.69 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.12 0.77 7.81 *104 Y 7.51 4.76 0.00 2.93 2.95 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 0.00 105 D 9.00 4.99 0.00 2.66 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 0.00 106 V 7.50 5.38 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 0.95 0.00 0.00 107 T 8.19 4.32 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 1.23 0.00 0.00 108 A 8.31 4.31 0.33 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 0.00 109 V 8.51 3.62 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 0.75 0.00 0.00 0.85 0.00 0.00 110 G 7.80 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 0.00 111 W 7.84 4.85 0.00 3.37 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 0.00 112 V 7.98 3.70 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 0.70 0.00 0.00 0.93 0.00 0.00 113 E 8.35 4.27 0.00 1.98 1.73 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 2.23 1.87 0.00 *114 Y 7.65 4.51 0.00 2.23 2.28 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 0.00 115 A 7.72 5.26 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.60 4.56 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 1.27 0.00 0.00 117 I 8.47 4.83 1.89 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 1.25 0.76 0.93 0.00 0.00 118 E 8.63 4.62 0.00 2.01 1.77 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 2.20 2.23 0.00 119 V 8.67 4.17 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 0.93 0.00 0.00 1.00 0.00 0.00 120 I 8.96 4.43 1.88 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 1.36 0.86 0.95 0.00 0.00 121 G 7.48 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 0.00 0.00 0.00 0.00 122 D 8.38 4.91 0.00 2.82 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 0.00 123 V 7.42 3.41 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 0.73 0.00 0.00 0.93 0.00 0.00 124 Y 7.34 3.53 0.00 2.48 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 0.00 125 Q 8.89 4.31 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.39 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 126 N 8.43 5.31 0.00 2.81 2.68 0.00 0.00 6.94 7.58 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 0.00 127 P 0.00 4.16 0.00 2.12 2.13 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 128 E 8.02 4.18 0.00 2.20 2.23 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 2.33 2.34 0.00 129 L 7.81 3.99 0.00 1.72 1.74 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.15 4.37 0.00 1.78 1.63 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.10 4.57 0.00 1.88 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 2.12 2.15 0.00 132 G 8.54 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 0.00 0.00 0.00 133 V 7.46 3.91 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 0.69 0.00 0.00 0.93 0.00 0.00 134 K 8.19 4.07 0.00 1.71 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.14 0.86 7.81 * Residues marked with a * may have inaccurate shift predictions.