NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 4.1572 8.0549 117.9066 61.0174 34.1070 176.6157 23 T 4.0386 7.8430 115.6541 63.9671 68.4865 171.6664 24 C 4.9724 8.4810 115.2691 53.8203 45.6555 172.7457 25 T 4.1022 8.2247 117.5816 64.9021 68.3521 175.4667 26 G 3.7840 8.9454 114.5198 45.1128 0.0000 173.5320 27 C 4.8734 7.4279 117.1397 55.9677 41.7417 174.0255 28 V 4.0437 9.0396 118.5384 60.9529 32.7752 174.6069 29 D 5.1779 8.5721 124.1960 52.7061 42.4968 175.2397 30 L 5.0199 8.4128 125.2484 53.2387 45.4494 174.7586 31 D 4.8626 8.4220 119.8583 52.5866 42.6171 176.7067 32 E 4.0262 8.9751 114.6685 59.1490 29.7018 175.7027 33 L 4.2480 8.1277 118.4670 56.8993 42.1719 178.4864 34 S 4.6344 8.0421 112.3100 58.5007 63.8547 175.7020 35 F 3.8446 8.3880 125.5040 61.6016 39.1243 176.4960 36 E 3.9268 8.3525 117.8115 59.4535 29.4783 178.6830 37 K 3.9052 8.1213 116.4612 59.7343 32.2272 178.9734 38 T 4.1336 7.6594 115.3364 66.5251 68.3735 177.2478 39 V 3.3581 7.3272 119.9773 65.8114 31.1273 177.2936 40 E 4.3801 7.7525 115.7730 57.7999 29.6988 178.2171 41 R 4.0315 8.0113 117.2645 56.4996 30.6727 176.1700 42 F 4.8562 7.1504 117.0997 54.6503 41.5084 173.7769 43 P 4.1565 0.0000 0.0000 65.7710 31.5011 176.0811 44 Y 5.6227 7.5390 112.6437 57.1628 43.1653 174.4160 45 S 5.1957 8.8787 115.7272 57.4639 67.8928 173.1726 46 V 5.2585 9.2642 124.1695 61.2659 34.1374 174.4072 47 V 5.0412 9.3172 127.0076 61.0225 35.0629 173.7660 48 K 4.8949 8.4955 128.7383 54.6375 34.2309 174.7648 49 F 4.6574 9.7926 127.3727 57.2775 40.6557 174.6969 50 D 3.6808 7.9872 123.6853 53.6408 44.9824 174.7707 51 I 4.4217 7.9471 118.7232 60.2420 36.2334 171.7364 52 A 3.8116 8.4137 122.4074 53.0648 18.9499 176.9986 53 Y 3.5752 7.4146 115.2033 58.5747 35.1876 168.7725 54 P 4.5088 0.0000 0.0000 62.6986 32.8515 175.8995 55 K 4.4971 8.2719 118.6306 55.9899 35.3370 175.4984 56 G 3.8437 8.8380 110.6758 44.9683 0.0000 174.2778 57 E 4.0009 8.8727 116.4358 61.2150 29.7727 175.0259 58 K 4.2797 7.9981 119.1362 59.3164 32.2908 178.8444 59 H 4.2554 8.2014 118.1338 59.4479 29.8886 177.0622 60 E 3.9741 8.5363 120.3159 59.3114 29.1610 179.2261 61 A 4.0673 8.0477 120.6745 55.0830 18.3388 179.4746 62 F 4.2061 8.3196 118.8330 61.4081 39.4890 177.5884 63 T 3.8643 8.2086 115.4452 66.6947 68.4141 176.3310 64 A 3.9828 7.9972 122.5278 54.9270 18.3617 179.3140 65 F 4.0084 8.4658 119.4211 61.4591 39.4764 176.8908 66 S 3.5270 8.2614 113.3463 61.6382 61.9495 176.7161 67 K 3.9608 7.8525 120.3926 59.0474 31.2365 179.1304 68 S 4.1208 7.7246 112.8075 60.3513 62.3445 175.9823 69 A 3.7216 7.7921 124.1452 55.3334 17.8023 179.2630 70 H 3.9323 7.7103 113.4628 58.8733 28.8167 177.7193 71 K 4.0226 7.6530 120.3062 59.0213 32.0395 178.1906 72 A 4.2284 7.3725 119.0728 52.8552 19.3782 177.4191 73 T 4.5784 7.5508 112.3511 60.7363 70.4581 174.6804 *74 K 4.1833 8.7792 128.7428 56.9141 32.1615 176.4535 75 D 5.1411 8.1547 115.7014 54.0570 42.0490 175.8199 76 L 5.2162 7.9736 120.2610 53.1481 45.1400 174.9906 77 L 4.1998 8.3201 126.6289 53.3003 44.4946 174.9815 78 I 5.0036 8.0788 125.9288 59.7181 39.4190 174.3829 79 A 5.4148 9.3171 128.5344 50.3566 23.2779 174.3990 80 T 4.9216 8.7976 108.1861 60.0856 73.0217 173.3085 81 V 4.4312 8.1255 122.3702 61.2670 34.9710 173.8310 82 G 4.1641 8.5961 115.1170 44.4421 0.0000 172.5229 83 V 4.6742 8.3092 125.7953 61.1108 33.0299 174.9194 84 K 4.6802 8.9478 127.8844 54.4679 34.1981 177.0517 85 D 4.6629 8.4221 126.3830 53.2616 40.3625 176.6946 *86 Y 4.5972 8.0078 116.9473 59.0642 41.1208 174.6792 87 G 4.2080 8.7970 114.3289 46.3904 0.0000 175.3557 88 E 4.6061 8.8522 118.1795 56.3840 30.4605 175.2392 89 L 3.8462 7.5466 116.4552 54.6662 39.2532 177.1460 90 E 4.0756 8.1677 115.4178 57.9578 29.4041 179.3118 91 N 4.5583 9.2639 122.6006 54.0800 36.4413 177.4125 92 K 4.0646 8.2236 124.3999 60.0806 31.8738 182.3644 93 A 4.1278 8.1302 121.7231 54.8969 17.8474 179.5056 94 L 3.9312 7.8695 117.7158 58.1765 42.6760 178.5204 95 G 3.8506 8.0442 105.4366 48.2286 0.0000 174.8567 96 D 4.3606 8.6470 122.3785 57.1029 40.6765 179.2636 97 R 3.6864 7.3400 117.2025 59.0641 29.9085 176.6698 98 Y 4.0657 7.3357 115.4251 57.1966 38.1216 176.3398 *99 K 3.8292 7.5269 119.5472 55.4615 29.5879 179.4930 100 V 3.8905 7.4810 112.8230 61.1406 32.5143 176.1817 101 D 4.3478 8.5300 125.0730 53.6065 40.5940 175.9207 102 D 3.3700 8.1024 128.5167 53.9373 40.1297 178.0271 *103 K 4.2887 7.6297 119.7679 55.1344 31.5942 182.7285 104 N 4.5768 6.9156 111.7890 53.7490 41.3476 173.6955 105 F 5.3460 8.3228 121.0315 54.8343 42.0612 173.2132 106 P 5.0203 0.0000 0.0000 62.8676 32.8801 175.3349 107 S 4.9381 9.2767 116.2144 56.8536 66.4325 173.3844 108 I 5.1550 7.9879 123.2049 59.6422 40.5958 174.2852 109 F 5.2371 9.7911 125.5325 55.5247 42.8067 173.8238 110 L 5.4011 9.5192 124.3620 53.4804 44.6913 174.9583 111 F 5.4961 9.4402 124.3004 55.3597 42.1395 176.0509 112 K 4.7240 8.2071 119.9520 56.6889 31.8935 177.5798 113 G 3.9723 9.5322 107.2150 45.1557 0.0000 173.6901 114 N 4.9793 8.1195 117.6150 51.5357 40.8967 174.6243 115 A 4.3517 9.6858 130.1216 54.7252 18.6336 177.8781 116 D 4.7789 8.8795 115.0355 55.8065 40.0184 176.0995 117 E 4.8031 8.9455 119.2135 54.7048 32.5721 174.4215 118 Y 5.1656 8.0767 121.7446 55.3780 41.5776 174.4729 119 V 4.4873 8.9827 121.0494 60.0303 33.7206 174.6302 120 Q 4.1731 8.8296 126.9965 54.9110 30.0709 174.9277 121 L 3.6594 7.9216 128.5713 54.0467 42.5410 175.0029 122 P 4.2703 0.0000 0.0000 62.7828 31.9260 177.4961 123 S 4.1032 8.5863 115.9924 61.4223 63.0157 174.9863 124 H 4.4158 8.0671 114.1336 56.1896 28.9111 174.9575 125 V 3.8862 7.2850 123.8457 62.0389 32.1458 175.8528 126 D 4.3997 8.4514 126.4931 53.2129 40.2080 173.8522 127 V 3.9666 8.0945 124.5390 61.0877 30.3838 175.2852 128 T 4.7706 7.6090 115.6622 58.3046 73.4678 174.4587 129 L 3.9777 8.2846 122.2122 58.6525 42.3642 178.8042 130 D 4.4306 8.0544 118.2161 57.3096 40.7751 178.3433 131 N 4.4386 8.0564 116.9611 55.8208 38.3202 177.6176 132 L 3.7172 7.9023 120.5893 57.6238 41.7228 179.2443 133 K 4.0156 8.1149 118.1810 59.8238 32.0770 179.2107 134 A 4.0928 7.9525 120.2774 55.1094 18.0638 179.4481 135 F 4.2725 8.2640 118.4759 61.3606 39.8139 177.3294 136 V 3.4780 7.6645 118.2772 65.7470 31.2150 177.9412 137 S 4.5150 8.0124 111.8800 60.3860 63.2846 175.8241 138 A 4.1342 8.0160 124.1516 54.1915 18.1485 177.5951 139 N 4.7748 7.0916 110.5611 53.0443 39.6644 174.1918 140 T 4.2428 6.9960 106.3368 60.0661 70.8223 171.9096 141 P 4.3509 0.0000 0.0000 63.9341 31.4841 176.9102 142 L 4.2736 7.2055 118.8802 54.7665 42.2241 176.0972 143 Y 4.8004 7.9220 120.3712 56.8657 42.2555 172.8333 144 I 3.2592 8.4421 130.8230 61.6410 35.6266 177.0057 145 G 3.9562 10.0167 111.4262 44.9949 0.0000 171.6410 *146 R 3.9580 8.5392 125.8239 56.5220 28.3626 176.1991 147 D 4.4996 8.5503 122.9052 52.7193 40.1438 170.7741 148 G 4.1185 9.8467 119.8852 45.6645 0.0000 173.4221 149 C 4.3449 8.3158 119.2748 58.0629 28.9526 170.9162 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 22 V 8.05 4.16 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 0.94 0.00 0.00 0.93 0.00 0.00 23 T 7.84 4.04 4.21 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 1.19 0.00 0.00 24 C 8.48 4.97 0.00 3.09 3.18 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 25 T 8.22 4.10 4.21 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 1.17 0.00 0.00 26 G 8.95 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 27 C 7.43 4.87 0.00 2.96 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 28 V 9.04 4.04 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 0.59 0.00 0.00 0.85 0.00 0.00 29 D 8.57 5.18 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 5.02 0.00 1.58 1.59 0.54 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.42 4.86 0.00 2.92 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 32 E 8.98 4.03 0.00 2.01 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 2.23 1.91 0.00 33 L 8.13 4.25 0.00 1.65 1.78 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.04 4.63 0.00 3.97 4.09 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 0.00 0.00 0.00 0.00 35 F 8.39 3.84 0.00 3.30 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 36 E 8.35 3.93 0.00 2.28 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 2.44 2.52 0.00 37 K 8.12 3.91 0.00 2.02 1.87 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.12 7.81 38 T 7.66 4.13 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 1.24 0.00 0.00 39 V 7.33 3.36 1.61 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 0.47 0.00 0.00 -0.24 0.00 0.00 40 E 7.75 4.38 0.00 2.08 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 2.50 2.49 0.00 41 R 8.01 4.03 0.00 1.85 1.71 0.00 3.17 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 42 F 7.15 4.86 0.00 2.95 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 43 P 0.00 4.16 0.00 2.14 1.90 0.00 4.01 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 44 Y 7.54 5.62 0.00 3.08 2.89 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 45 S 8.88 5.20 0.00 3.93 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 46 V 9.26 5.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 1.21 0.00 0.00 47 V 9.32 5.04 2.52 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 0.77 0.00 0.00 1.00 0.00 0.00 48 K 8.50 4.89 0.00 0.79 0.77 0.00 1.43 0.00 0.00 1.08 0.00 0.00 2.57 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.99 1.11 7.81 49 F 9.79 4.66 0.00 3.20 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 50 D 7.99 3.68 0.00 2.41 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 0.00 0.00 0.00 0.00 51 I 7.95 4.42 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 1.28 0.80 0.91 0.00 0.00 52 A 8.41 3.81 1.01 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 0.00 0.00 53 Y 7.41 3.58 0.00 3.13 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 54 P 0.00 4.51 0.00 1.96 2.02 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 55 K 8.27 4.50 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.48 7.81 56 G 8.84 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.87 4.00 0.00 1.99 1.97 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 2.31 1.97 0.00 58 K 8.00 4.28 0.00 1.83 1.91 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.51 7.81 59 H 8.20 4.26 0.00 3.25 3.50 0.00 5.87 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 60 E 8.54 3.97 0.00 2.40 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 0.00 2.33 2.20 0.00 61 A 8.05 4.07 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 62 F 8.32 4.21 0.00 3.21 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 63 T 8.21 3.86 4.42 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 1.20 0.00 0.00 64 A 8.00 3.98 1.38 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 0.00 0.00 0.00 65 F 8.47 4.01 0.00 3.03 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 66 S 8.26 3.53 0.00 3.65 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 67 K 7.85 3.96 0.00 1.80 1.78 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.67 7.81 68 S 7.72 4.12 0.00 3.85 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 69 A 7.79 3.72 0.69 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 0.00 0.00 70 H 7.71 3.93 0.00 3.07 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.65 4.02 0.00 1.80 1.92 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.42 7.81 72 A 7.37 4.23 1.26 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 0.00 0.00 73 T 7.55 4.58 4.20 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 1.16 0.00 0.00 *74 K 8.78 4.18 0.00 1.82 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.03 7.81 75 D 8.15 5.14 0.00 2.69 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 76 L 7.97 5.22 0.00 1.68 1.50 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.32 4.20 0.00 0.92 1.11 0.60 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.08 5.00 1.97 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.55 0.74 0.00 0.00 79 A 9.32 5.41 1.07 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 80 T 8.80 4.92 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 1.23 0.00 0.00 81 V 8.13 4.43 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 0.75 0.00 0.00 0.57 0.00 0.00 82 G 8.60 4.16 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 0.00 83 V 8.31 4.67 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 0.97 0.00 0.00 1.15 0.00 0.00 84 K 8.95 4.68 0.00 1.86 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.39 1.24 7.81 85 D 8.42 4.66 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 Y 8.01 4.60 0.00 2.25 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 0.00 0.00 0.00 87 G 8.80 4.21 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 0.00 88 E 8.85 4.61 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.84 0.00 89 L 7.55 3.85 0.00 1.74 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.17 4.08 0.00 1.88 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 2.33 1.95 0.00 91 N 9.26 4.56 0.00 3.05 2.98 0.00 0.00 7.20 7.34 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 92 K 8.22 4.06 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 93 A 8.13 4.13 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 94 L 7.87 3.93 0.00 1.64 1.92 0.75 0.89 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 95 G 8.04 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.65 4.36 0.00 2.80 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 97 R 7.34 3.69 0.00 1.71 1.77 0.00 3.06 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.37 0.00 98 Y 7.34 4.07 0.00 2.15 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 0.00 0.00 0.00 *99 K 7.53 3.83 0.00 1.89 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.26 7.81 100 V 7.48 3.89 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 0.41 0.00 0.00 1.05 0.00 0.00 101 D 8.53 4.35 0.00 2.62 2.42 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 0.00 102 D 8.10 3.37 0.00 2.52 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 0.00 0.00 0.00 *103 K 7.63 4.29 0.00 1.80 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.03 7.81 104 N 6.92 4.58 0.00 2.69 2.69 0.00 0.00 6.79 7.33 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 0.00 105 F 8.32 5.35 0.00 2.94 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 0.00 106 P 0.00 5.02 0.00 2.00 2.21 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 107 S 9.28 4.94 0.00 4.18 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 0.00 108 I 7.99 5.15 1.64 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.94 0.00 0.00 109 F 9.79 5.24 0.00 3.25 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 0.00 110 L 9.52 5.40 0.00 1.68 1.44 0.45 0.96 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 0.00 111 F 9.44 5.50 0.00 3.17 3.13 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 0.00 112 K 8.21 4.72 0.00 1.72 2.01 0.00 2.01 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.58 1.65 7.81 113 G 9.53 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 0.00 114 N 8.12 4.98 0.00 2.77 2.81 0.00 0.00 7.04 7.76 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 0.00 115 A 9.69 4.35 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 0.00 116 D 8.88 4.78 0.00 2.90 2.85 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 0.00 0.00 0.00 117 E 8.95 4.80 0.00 2.14 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 2.21 2.09 0.00 118 Y 8.08 5.17 0.00 2.43 1.97 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 0.00 119 V 8.98 4.49 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 0.80 0.00 0.00 1.06 0.00 0.00 120 Q 8.83 4.17 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 121 L 7.92 3.66 0.00 0.31 1.01 0.33 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.27 0.00 1.97 2.00 0.00 3.50 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 123 S 8.59 4.10 0.00 3.94 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 0.00 124 H 8.07 4.42 0.00 3.28 3.43 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.28 3.89 1.97 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 0.63 0.00 0.00 0.68 0.00 0.00 126 D 8.45 4.40 0.00 2.74 2.45 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 0.00 0.00 0.00 0.00 127 V 8.09 3.97 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 0.97 0.00 0.00 0.92 0.00 0.00 128 T 7.61 4.77 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 0.00 129 L 8.28 3.98 0.00 1.77 1.73 0.94 1.28 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 0.00 130 D 8.05 4.43 0.00 2.82 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 0.00 131 N 8.06 4.44 0.00 2.70 2.79 0.00 0.00 6.93 8.09 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 0.00 132 L 7.90 3.72 0.00 1.78 0.87 0.71 0.50 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 0.00 133 K 8.11 4.02 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.80 7.81 134 A 7.95 4.09 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 0.00 135 F 8.26 4.27 0.00 2.92 3.32 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 0.00 136 V 7.66 3.48 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 0.99 0.00 0.00 1.18 0.00 0.00 137 S 8.01 4.51 0.00 4.16 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 0.00 138 A 8.02 4.13 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 0.00 139 N 7.09 4.77 0.00 2.47 2.60 0.00 0.00 6.83 7.42 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 0.00 140 T 7.00 4.24 2.82 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 0.84 0.00 0.00 141 P 0.00 4.35 0.00 2.08 2.16 0.00 3.20 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 142 L 7.21 4.27 0.00 1.55 1.58 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.92 4.80 0.00 2.85 2.85 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 0.00 0.00 0.00 144 I 8.44 3.26 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.77 0.00 0.00 145 G 10.02 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 *146 R 8.54 3.96 0.00 2.00 2.01 0.00 3.27 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 147 D 8.55 4.50 0.00 2.69 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 0.00 148 G 9.85 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 0.00 149 C 8.32 4.34 0.00 2.68 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.