NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 W 4.4629 8.3745 121.3291 56.4086 29.2877 174.8277 9 D 4.4926 8.1068 123.2579 52.0799 39.2148 171.8260 10 G 3.3983 8.1774 108.7338 46.6243 0.0000 173.2407 *11 E 4.6177 7.7709 117.9445 55.4941 33.5951 180.2468 12 V 4.3784 7.9717 114.1176 60.2833 32.1863 173.3059 13 R 4.5063 8.0359 124.3873 54.9312 31.4164 176.4337 14 Q 4.3142 8.4969 120.9289 55.4770 30.6275 175.1895 15 V 4.2852 8.1224 121.2528 62.4787 32.2800 175.8982 16 S 4.3937 8.8719 123.3496 57.9172 62.8112 174.9676 17 K 4.1401 8.6158 126.0056 59.0068 32.2626 177.4377 18 H 4.6039 8.1514 116.5735 56.8300 29.6612 176.9123 19 A 4.0765 7.7633 124.9993 56.1201 18.3326 179.4501 *20 F 4.1756 8.4279 114.3245 60.4095 38.0541 179.5170 21 S 4.8315 7.7758 115.2461 57.2074 62.5782 175.4297 22 L 4.0276 7.4448 123.3989 55.8747 42.0531 176.1792 23 K 4.2861 8.4888 127.4536 55.3008 33.2556 175.1550 24 Q 4.6611 8.1578 124.5955 53.6560 31.2714 175.2525 25 L 4.1452 8.2372 124.4409 54.8702 42.4351 176.9745 26 D 4.5002 8.6117 121.2002 53.8042 41.9868 175.4712 27 N 4.1352 8.4078 114.6308 53.9169 35.8155 173.1781 28 P 4.4664 0.0000 0.0000 62.3011 32.6381 176.3407 29 A 4.2206 8.4351 122.7395 51.9283 19.1894 177.2203 30 R 4.5847 8.2988 120.3194 55.3756 30.5695 176.1525 31 I 4.3417 8.4307 129.5405 59.8305 37.3457 174.6337 32 P 4.6552 0.0000 0.0000 62.2302 31.8543 174.6130 33 P 4.8191 0.0000 0.0000 63.1429 31.7001 174.9054 34 C 2.9124 7.3485 112.2047 58.0304 31.4953 172.7764 35 G 3.5446 7.5484 105.4176 46.3529 0.0000 174.1643 36 W 4.6292 7.3057 118.3439 55.7869 30.3717 175.7581 37 K 4.8082 8.2096 119.0558 54.8985 34.9131 175.0393 38 C 4.3918 8.8568 126.1239 59.6024 31.8650 174.6718 39 S 4.3945 8.6395 121.1557 59.8633 62.8334 174.7527 40 K 4.4446 7.8253 118.7038 56.3761 33.5151 174.7913 41 C 4.6191 7.4507 111.0994 57.9131 31.9837 173.5781 42 D 4.7851 8.5503 119.9263 54.7067 40.8566 176.6716 43 M 4.2801 7.8756 120.4900 55.6666 32.4082 176.8938 44 R 4.6874 8.6003 119.6236 55.8709 31.9455 175.2234 45 E 4.7160 7.7231 116.2536 54.8392 33.5115 174.4237 46 N 4.1100 8.4648 115.4954 54.9810 37.3754 173.2064 47 L 5.2350 7.2784 117.2927 52.9994 45.2271 177.0759 48 W 5.0044 9.3787 122.4256 54.7569 32.6684 174.1918 49 L 4.8364 8.6630 127.3554 53.5160 43.1235 174.9113 50 N 5.0413 9.0267 127.0101 53.3024 39.3968 175.9480 51 L 4.3742 9.0407 127.1977 57.4109 42.3857 178.6985 52 T 4.0701 8.6718 116.3973 65.6101 68.6847 176.0443 53 D 4.7880 8.1905 116.2937 52.4298 40.0563 176.7369 54 G 3.6237 8.6147 107.7693 45.9049 0.0000 174.2463 55 S 4.3277 8.2663 115.0188 58.2242 64.6530 173.4193 56 I 4.8808 8.3048 122.2380 59.7917 39.7101 174.4275 57 L 5.2676 8.8769 126.5819 52.6726 46.5340 176.1737 58 C 4.8781 8.8346 116.2792 58.0802 31.3545 173.2393 59 G 4.1860 9.1571 108.6932 45.9126 0.0000 173.0657 60 R 4.3290 8.0275 116.3075 55.8739 31.0591 175.3376 61 R 4.5504 7.9697 120.7389 55.4752 30.9907 175.8216 62 Y 4.4574 8.6582 124.4465 57.1690 38.8977 176.6417 63 F 4.0787 9.0534 120.0986 59.6517 39.0990 175.9738 64 D 4.6624 8.2788 118.9290 53.1709 39.6818 177.2378 65 G 3.9401 8.3240 109.7305 45.4162 0.0000 174.0459 66 S 4.4239 8.5817 115.1049 57.6563 64.8950 173.2362 67 G 4.1123 8.8187 106.9292 44.8240 0.0000 173.3333 68 G 4.1160 7.7270 111.7831 45.9450 0.0000 174.6926 69 N 4.6941 8.5396 121.2111 52.8645 39.2402 175.3252 70 N 4.1128 8.3186 113.4788 54.4728 37.2550 176.0752 71 H 4.2357 7.6579 117.0481 58.7691 28.6214 177.6133 72 A 4.0539 8.0762 122.9417 55.1327 18.2605 180.0992 73 V 3.1055 7.6215 117.2626 64.8862 31.4274 178.2498 74 E 3.9054 8.4375 119.5475 59.2945 29.2522 178.8267 75 H 4.2113 8.2133 118.3658 59.2660 29.8974 176.6803 76 Y 3.8493 7.7593 121.3318 60.7693 38.3404 178.2788 77 R 3.6402 7.7334 117.5525 58.8065 30.1158 178.1351 78 E 4.1226 7.2683 115.9449 57.7101 30.0098 177.6533 79 T 3.8416 7.3889 108.3199 60.7226 69.9235 175.9998 80 G 3.4152 7.6521 108.1709 45.2646 0.0000 172.9978 81 Y 4.6942 7.3482 117.7350 56.8766 37.3512 173.6337 82 P 4.5416 0.0000 0.0000 65.1737 32.7025 176.2765 83 L 5.2735 8.0375 119.4564 53.0069 44.0697 175.7140 84 A 5.3688 8.8981 123.8566 50.4181 23.1743 175.1382 85 V 4.8931 8.8003 120.8123 59.5793 34.4892 174.8889 86 K 3.2096 8.3280 125.8948 55.2597 32.8142 176.2681 87 L 3.3836 7.5968 128.8380 55.9656 41.7352 177.5280 88 G 4.1460 9.0177 111.3540 45.5228 0.0000 173.5775 89 T 4.3726 7.4919 107.8726 60.7913 69.7904 173.6902 90 I 4.3169 7.6604 124.0262 61.2487 37.0493 175.0479 91 T 4.7129 8.7140 116.1480 58.6561 71.1841 173.5980 92 P 5.1004 0.0000 0.0000 64.5048 31.6024 176.9582 93 D 4.6976 7.7040 116.8421 55.1871 42.5706 176.6715 94 G 3.8940 7.4739 105.4429 47.7003 0.0000 171.2859 95 A 4.8700 8.0321 121.6166 52.3321 21.7163 175.6519 96 D 4.7074 8.3750 120.0022 53.8529 41.8254 176.2035 97 V 4.9550 8.4681 124.1475 61.1898 33.7986 173.5374 98 Y 5.0093 9.4757 128.9967 55.7303 42.2088 173.9697 99 S 4.5319 7.3798 120.5759 56.5390 63.9032 174.3363 100 Y 3.5021 7.9485 126.2777 60.9001 37.8329 177.3411 101 D 4.5052 7.9282 117.9342 57.4792 41.2570 176.8877 102 E 4.1003 7.7926 114.4421 55.9406 30.3139 175.8485 103 D 4.0683 7.1089 117.1227 52.3786 40.1137 171.5703 104 D 4.6062 6.0778 117.1838 53.7572 45.1616 175.5533 105 M 4.8903 8.9281 122.9750 55.7482 32.7378 175.9236 106 V 4.6918 8.8290 115.6963 59.7357 36.7067 174.1214 107 L 4.6361 9.2682 123.9151 53.5544 44.0922 174.6157 108 D 5.3036 8.5733 126.0462 51.6534 42.1803 174.5038 109 P 4.3723 0.0000 0.0000 64.6857 31.6085 177.4514 110 S 4.6548 8.1815 115.4052 58.2712 63.4554 175.6878 111 L 4.0908 8.3742 126.2886 57.5953 41.6463 178.4818 112 A 3.9848 8.0695 120.1047 55.3718 18.3388 179.0206 113 E 3.8545 8.0559 116.7534 59.9698 29.6453 178.5350 114 H 4.6545 8.0675 116.2372 58.3062 28.9420 177.3811 115 L 4.4624 8.5482 121.2061 57.5077 41.5928 179.0718 116 S 4.1047 8.3349 113.2605 61.6375 61.9862 175.4837 117 H 4.0185 7.8963 119.9468 58.6537 29.6413 175.5535 118 F 4.5805 8.2223 117.3908 56.9337 38.9429 176.4902 119 G 3.5617 8.4538 108.7920 46.4387 0.0000 174.1812 120 I 4.2137 7.9202 123.3586 59.8763 37.3888 175.6660 121 D 4.7371 8.4263 125.6607 52.3696 40.2847 175.7665 122 M 4.6872 8.6066 126.6245 54.5252 31.5655 176.5192 123 L 4.9905 8.3006 117.8395 56.7269 42.7429 177.8398 124 K 4.6364 7.7580 123.9795 54.4955 31.5131 177.9997 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 *8 W 8.37 4.46 0.00 2.53 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 0.00 0.00 0.00 9 D 8.11 4.49 0.00 2.95 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 10 G 8.18 3.40 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 0.00 0.00 0.00 *11 E 7.77 4.62 0.00 1.95 1.69 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 2.13 1.87 0.00 12 V 7.97 4.38 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 0.96 0.00 0.00 0.93 0.00 0.00 13 R 8.04 4.51 0.00 1.70 1.89 0.00 3.20 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 14 Q 8.50 4.31 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 15 V 8.12 4.29 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 16 S 8.87 4.39 0.00 3.90 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 17 K 8.62 4.14 0.00 1.85 1.85 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 0.99 7.81 18 H 8.15 4.60 0.00 3.25 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.76 4.08 1.39 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 *20 F 8.43 4.18 0.00 2.31 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 0.00 0.00 0.00 0.00 21 S 7.78 4.83 0.00 3.61 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 22 L 7.44 4.03 0.00 1.79 1.49 0.91 0.30 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 23 K 8.49 4.29 0.00 1.73 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.40 7.81 24 Q 8.16 4.66 0.00 1.62 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 25 L 8.24 4.15 0.00 1.56 1.61 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.61 4.50 0.00 2.54 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 27 N 8.41 4.14 0.00 2.87 2.88 0.00 0.00 6.96 8.02 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 28 P 0.00 4.47 0.00 1.94 1.69 0.00 3.66 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.30 0.00 29 A 8.44 4.22 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 30 R 8.30 4.58 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 31 I 8.43 4.34 1.94 0.00 0.00 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 1.36 0.65 0.96 0.00 0.00 32 P 0.00 4.66 0.00 2.00 2.09 0.00 3.96 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 33 P 0.00 4.82 0.00 2.23 2.26 0.00 3.79 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 1.92 1.95 0.00 34 C 7.35 2.91 0.00 2.61 2.59 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 0.00 0.00 0.00 0.00 35 G 7.55 3.54 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 0.00 36 W 7.31 4.63 0.00 3.46 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 37 K 8.21 4.81 0.00 1.71 1.67 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.57 7.81 38 C 8.86 4.39 0.00 3.08 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 39 S 8.64 4.39 0.00 4.04 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 40 K 7.83 4.44 0.00 1.42 1.53 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.30 7.81 41 C 7.45 4.62 0.00 3.20 3.04 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 42 D 8.55 4.79 0.00 2.70 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 43 M 7.88 4.28 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 44 R 8.60 4.69 0.00 1.79 1.96 0.00 3.61 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 45 E 7.72 4.72 0.00 1.93 1.85 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 2.22 2.35 0.00 46 N 8.46 4.11 0.00 3.01 2.88 0.00 0.00 6.77 6.66 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 47 L 7.28 5.23 0.00 1.50 1.50 1.15 1.04 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 48 W 9.38 5.00 0.00 3.33 3.19 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 49 L 8.66 4.84 0.00 1.43 1.44 0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.03 5.04 0.00 2.99 3.00 0.00 0.00 6.78 7.25 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 51 L 9.04 4.37 0.00 1.74 1.82 1.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.67 4.07 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 0.08 0.00 0.00 53 D 8.19 4.79 0.00 2.90 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 54 G 8.61 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 0.00 0.00 0.00 55 S 8.27 4.33 0.00 3.84 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 56 I 8.30 4.88 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 1.16 0.77 0.92 0.00 0.00 57 L 8.88 5.27 0.00 1.62 1.58 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.83 4.88 0.00 3.07 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 59 G 9.16 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 60 R 8.03 4.33 0.00 1.61 1.82 0.00 2.42 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.00 61 R 7.97 4.55 0.00 1.79 1.66 0.00 3.35 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 62 Y 8.66 4.46 0.00 3.20 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 63 F 9.05 4.08 0.00 3.12 3.20 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 0.00 64 D 8.28 4.66 0.00 2.82 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 65 G 8.32 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 66 S 8.58 4.42 0.00 4.10 4.10 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 67 G 8.82 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 68 G 7.73 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 0.00 0.00 0.00 69 N 8.54 4.69 0.00 2.53 2.58 0.00 0.00 6.88 6.92 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 70 N 8.32 4.11 0.00 2.84 2.82 0.00 0.00 7.05 7.45 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 71 H 7.66 4.24 0.00 3.32 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.08 4.05 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 73 V 7.62 3.11 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 0.84 0.00 0.00 0.94 0.00 0.00 74 E 8.44 3.91 0.00 2.17 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 2.30 2.51 0.00 75 H 8.21 4.21 0.00 3.34 3.51 0.00 5.79 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 76 Y 7.76 3.85 0.00 2.25 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 77 R 7.73 3.64 0.00 1.86 1.86 0.00 3.16 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 78 E 7.27 4.12 0.00 1.91 1.85 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 2.17 2.35 0.00 79 T 7.39 3.84 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 0.79 0.00 0.00 80 G 7.65 3.42 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 0.00 81 Y 7.35 4.69 0.00 3.11 3.06 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 82 P 0.00 4.54 0.00 1.99 2.27 0.00 3.83 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.76 0.00 83 L 8.04 5.27 0.00 1.68 1.67 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.90 5.37 1.52 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 85 V 8.80 4.89 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 0.73 0.00 0.00 0.87 0.00 0.00 86 K 8.33 3.21 0.00 0.79 1.05 0.00 1.17 0.00 0.00 1.32 0.00 0.00 2.66 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.80 0.21 7.81 87 L 7.60 3.38 0.00 0.79 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.02 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 0.00 0.00 0.00 0.00 89 T 7.49 4.37 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 1.01 0.00 0.00 90 I 7.66 4.32 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.41 0.92 0.00 0.00 91 T 8.71 4.71 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 1.24 0.00 0.00 92 P 0.00 5.10 0.00 2.06 2.23 0.00 3.72 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 93 D 7.70 4.70 0.00 2.68 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 94 G 7.47 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 95 A 8.03 4.87 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 96 D 8.37 4.71 0.00 2.46 2.67 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 97 V 8.47 4.96 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 1.09 0.00 0.00 0.98 0.00 0.00 98 Y 9.48 5.01 0.00 2.95 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 99 S 7.38 4.53 0.00 3.76 3.37 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 0.00 100 Y 7.95 3.50 0.00 1.69 1.44 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 0.00 101 D 7.93 4.51 0.00 2.70 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 0.00 102 E 7.79 4.10 0.00 1.90 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 2.27 2.21 0.00 103 D 7.11 4.07 0.00 2.73 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 0.00 104 D 6.08 4.61 0.00 2.87 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 0.00 105 M 8.93 4.89 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 106 V 8.83 4.69 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 0.60 0.00 0.00 0.97 0.00 0.00 107 L 9.27 4.64 0.00 1.73 1.62 0.94 0.55 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 0.00 108 D 8.57 5.30 0.00 2.86 2.56 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 0.00 109 P 0.00 4.37 0.00 2.21 2.17 0.00 3.79 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 1.98 1.99 0.00 110 S 8.18 4.65 0.00 3.80 3.63 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 0.00 111 L 8.37 4.09 0.00 1.96 1.68 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.07 3.98 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 0.00 113 E 8.06 3.85 0.00 2.02 2.05 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 2.39 2.40 0.00 114 H 8.07 4.65 0.00 3.31 3.42 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.55 4.46 0.00 1.93 1.93 0.95 0.68 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 0.00 116 S 8.33 4.10 0.00 4.01 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 0.00 117 H 7.90 4.02 0.00 3.09 3.15 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.22 4.58 0.00 3.28 3.03 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 0.00 119 G 8.45 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 0.00 120 I 7.92 4.21 2.16 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 1.38 0.81 0.97 0.00 0.00 121 D 8.43 4.74 0.00 2.60 2.56 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 0.00 122 M 8.61 4.69 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 123 L 8.30 4.99 0.00 1.55 1.60 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.76 4.64 0.00 1.78 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.07 7.81 * Residues marked with a * may have inaccurate shift predictions.