NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9670 8.1545 120.3088 61.7266 32.7384 175.0996 *2 H 4.7614 8.4599 119.6502 52.4232 29.8321 171.5059 3 F 4.8911 8.4757 121.6088 55.4014 42.2470 176.1093 4 T 4.3739 8.4926 115.2278 60.8117 71.1517 176.0079 5 A 4.0864 8.5411 125.4783 55.9839 18.3881 180.4940 6 E 3.9973 8.1308 116.4516 61.1377 29.7832 181.6406 7 E 4.1988 8.0638 118.8534 59.4564 29.7332 179.5912 8 K 3.8743 8.2073 118.2354 58.9221 31.9192 179.4175 9 A 3.9115 7.7067 121.1893 55.1369 18.5296 179.2712 10 A 3.9643 7.8698 119.2281 55.4116 18.5040 180.1023 11 V 3.3198 7.4313 116.0852 66.5423 31.0945 178.5827 12 T 4.0729 7.7284 114.8483 66.4487 67.9527 177.0472 13 S 4.2258 8.1336 116.9464 61.5770 63.2730 176.2362 14 L 4.0857 7.8340 120.2985 57.1718 41.6458 179.0398 15 W 4.5114 8.5639 128.1992 60.7319 30.3091 178.2610 16 S 4.3165 7.8747 113.6325 61.0343 62.3521 175.7313 17 K 4.4553 7.6874 117.9958 55.5366 32.3812 176.1735 18 M 4.5899 6.7498 115.8238 53.2085 33.4693 176.7838 19 N 4.5554 8.1451 119.8593 52.9455 36.7475 175.4660 20 V 3.4728 7.6826 122.1487 63.9736 31.1920 178.3571 21 E 4.0915 7.7066 123.3632 59.6801 29.3572 179.1740 22 E 4.1146 8.7011 118.9226 60.8525 29.7603 181.0279 23 A 4.4603 8.2240 119.4786 54.4482 18.4408 180.0512 24 G 3.6472 7.6443 105.3456 48.0152 0.0000 176.4807 25 G 3.7221 8.0319 108.1144 46.7692 0.0000 175.4950 26 E 3.9493 7.7895 119.9843 59.2243 29.4721 179.1773 27 A 3.9242 7.6576 120.1603 55.1770 18.5975 179.4417 28 L 4.0030 7.9038 118.8205 58.0656 42.0622 179.4118 29 G 3.5402 8.1423 105.6722 48.0059 0.0000 175.9402 30 R 3.9008 7.8024 120.5882 58.4821 29.9536 178.9527 31 L 4.0092 7.9699 120.1926 58.3472 41.9476 179.1880 32 L 3.9576 7.5732 117.3447 57.4247 41.5208 179.4729 33 V 3.6822 7.3374 117.6699 65.8963 31.6743 178.0388 34 V 3.5852 7.6536 116.9334 64.2190 32.6997 175.5009 35 Y 4.0572 7.3248 116.7195 53.8912 38.0187 173.7177 36 P 4.2973 0.0000 0.0000 65.3786 31.6786 177.5431 37 W 4.4061 8.1353 114.5146 59.1433 27.9164 177.7409 38 T 4.4042 7.4625 110.5060 64.0063 68.2482 176.2981 39 Q 4.2600 8.3007 121.2862 58.3743 28.4307 178.1277 40 R 3.7436 7.4492 119.7639 59.1957 30.0588 177.9884 41 F 4.2865 7.5345 116.2255 58.8285 39.0725 176.8252 42 F 4.3757 7.2657 116.7561 57.0076 39.5109 176.8071 43 D 4.3799 8.1638 121.5303 57.6335 40.5992 178.1940 44 S 4.4679 8.0464 111.9537 60.4983 63.3634 175.0730 45 F 4.4908 8.4886 119.8315 58.7009 39.7806 175.4173 46 G 4.0409 7.3231 103.7624 43.9686 0.0000 176.0819 47 N 4.5488 8.8092 127.4725 53.4653 38.2703 174.1439 48 L 4.9416 8.2097 127.7803 54.5049 43.1008 178.4642 49 S 4.3352 8.3275 116.0288 60.5754 63.7407 174.3771 50 S 4.7085 7.5963 114.2070 55.0246 67.2630 172.7634 51 P 4.3373 0.0000 0.0000 65.9394 30.9973 179.2662 52 S 4.1013 7.9779 113.2788 61.4848 63.0444 176.3631 53 A 4.0365 7.9911 123.5302 55.0364 17.8585 179.8644 54 I 3.6803 8.0168 117.8913 64.6886 37.3551 178.5358 55 L 4.2232 7.8155 118.4174 57.2899 41.4866 179.1995 56 G 3.8237 7.9768 104.3907 45.0758 0.0000 173.7039 57 N 4.3662 7.5137 120.6502 53.3061 39.7357 173.7566 58 P 4.2747 0.0000 0.0000 65.5440 31.4530 178.5316 59 K 3.8955 8.2372 118.0106 58.5331 31.9692 179.1791 60 V 3.7665 7.8874 118.5713 66.1155 31.4631 177.9348 61 K 3.9990 7.7931 116.9862 59.1738 31.9804 179.3301 62 A 3.9791 7.8310 120.9224 55.5967 18.4550 179.3142 63 H 4.4460 8.6983 117.0552 58.9979 29.8967 177.6720 64 G 3.6735 8.2462 108.0389 47.7449 0.0000 175.8053 65 K 4.0613 7.9034 121.0994 59.1094 32.1472 179.5843 66 K 4.0229 7.7219 117.5643 59.4007 31.7511 179.6028 67 V 3.6576 7.5482 117.2592 66.0185 31.9071 177.4197 68 L 4.5170 8.2662 120.1238 58.6198 41.8804 179.0882 69 T 4.1538 8.2650 115.9362 66.7574 68.3049 176.6514 70 S 4.3906 7.9362 113.7198 60.7502 63.0792 175.8722 71 F 4.4547 8.2902 121.7513 60.1332 38.3207 177.9471 72 G 3.2600 8.2768 105.5315 47.5250 0.0000 175.5361 73 D 4.3982 8.0114 119.5079 56.7062 41.2353 178.1495 74 A 4.2175 7.6454 121.7967 55.1712 18.2275 179.6896 75 I 3.3774 7.3440 116.7897 64.2600 37.2072 178.3035 76 K 4.1543 7.4776 116.9916 57.8024 32.2423 177.2629 77 N 5.0047 7.6622 117.1321 52.5846 39.3073 176.4425 78 M 3.8819 8.2392 120.1815 58.5789 31.9195 177.8578 79 D 4.3768 7.5256 119.4170 56.8480 41.2191 177.6050 80 N 4.9104 7.6034 123.2174 50.4878 38.5242 176.4292 81 L 4.2672 8.4887 127.4232 57.7392 42.3985 180.2692 82 K 3.9338 8.3970 119.7793 57.3806 31.5548 178.7276 83 P 4.1960 0.0000 0.0000 65.0621 31.5567 177.8047 84 A 3.9759 8.0288 120.8410 54.7816 18.4560 178.6019 85 F 4.6056 7.8166 112.7514 57.6752 39.0377 177.9576 86 A 4.1071 8.0398 126.3596 55.5015 18.0456 181.3131 87 K 4.0062 7.9216 122.2286 59.9591 31.9141 183.1517 88 L 4.3782 7.8796 119.8008 57.2775 41.5936 179.2462 89 S 4.2323 8.3955 113.6473 61.3472 62.2590 175.8959 90 E 4.0019 8.0578 122.0886 59.0304 29.4852 178.4238 91 L 3.9292 7.7602 120.2173 58.7092 42.2291 178.7529 92 H 4.3996 8.5961 115.8082 58.9470 28.5328 176.2838 93 C 3.6442 8.1892 121.4155 61.5173 31.1705 174.9206 94 D 4.2983 8.2669 124.9912 56.9483 40.9406 178.8262 95 K 4.2079 7.8370 119.6174 56.3290 32.3842 180.9380 96 L 4.4146 7.6094 117.6456 54.2120 43.2511 176.1383 97 H 3.9210 7.3929 113.8370 56.5753 25.9469 174.9947 98 V 4.0074 7.4111 118.1264 60.9016 33.1680 174.8163 99 D 4.5422 8.3863 126.5456 53.3520 42.0034 175.1296 100 P 3.5450 0.0000 0.0000 65.3781 31.3796 178.4122 101 E 3.9409 8.0608 118.2612 59.2391 29.5562 178.4383 102 N 4.5288 8.1223 116.4314 55.6242 38.7114 177.3876 103 F 4.5831 7.5259 119.8038 60.4334 38.9503 177.7746 104 K 4.1197 8.0868 117.8513 59.3143 31.9229 179.2219 105 L 3.9585 7.5459 118.3142 57.7574 41.5366 179.3549 106 L 4.2221 8.1007 120.1192 57.9335 41.9998 179.2578 107 G 3.7922 8.2117 105.5605 47.8759 0.0000 175.4492 108 N 4.4184 8.3851 119.1856 56.1731 38.7527 177.7200 109 V 3.6697 8.0672 119.5389 65.9624 31.6320 177.7281 110 M 3.8879 8.1033 118.0961 58.7200 32.1551 178.3591 111 V 3.4806 7.7806 118.2772 66.1260 31.5028 178.0340 112 I 3.7815 7.7176 119.4934 63.9567 36.9859 178.5461 113 I 3.5266 7.3567 120.7149 64.3049 36.9605 178.4257 114 L 3.7298 7.3383 119.0970 57.4310 41.2047 179.5015 115 A 3.7687 7.1056 120.6974 55.1247 18.0712 179.7744 116 T 3.8784 7.3133 107.4871 64.9237 68.9632 176.4437 117 H 4.1916 7.6555 118.0037 57.9298 29.1526 176.7905 118 F 4.6856 8.2747 117.6543 55.5745 39.8525 177.7863 119 G 3.8703 8.6927 108.3426 45.9888 0.0000 176.3256 120 K 3.9370 9.1384 122.1060 59.2388 31.8616 177.4398 121 E 4.0779 8.1948 118.7971 58.9900 30.0222 177.3553 122 F 4.6251 8.1247 122.5556 57.1676 37.6988 174.9800 123 T 4.1320 7.3732 115.6602 60.5199 71.3161 173.5259 124 P 4.1363 0.0000 0.0000 65.7094 31.1437 178.9229 125 E 3.9474 7.9737 117.1143 59.2719 29.5787 179.3326 126 V 3.7036 7.3595 118.5063 65.8858 31.5080 177.8555 127 Q 3.6808 7.9606 119.5053 59.0095 28.8677 177.9777 128 A 3.9711 8.0077 121.5820 55.1075 18.3955 179.5154 129 A 3.9358 7.6838 117.6615 55.3275 18.4671 180.0173 130 W 4.0927 8.2965 117.2041 59.8573 29.0464 178.8951 131 Q 4.1306 8.6511 118.4970 58.8289 28.1764 178.5579 132 K 3.8593 7.9643 120.2211 59.3144 32.1902 178.6120 133 L 4.2412 8.0378 120.4227 58.4121 42.2449 178.9579 134 V 3.8621 8.2685 118.4785 66.4274 31.4803 178.1878 135 S 4.1878 8.4796 114.6998 61.3483 62.5187 176.5280 136 A 3.9751 7.9403 123.2075 55.1302 18.1194 179.8620 137 V 3.0478 7.8408 116.5906 65.7888 31.2815 178.0763 138 A 3.8475 7.8022 120.4487 54.9701 18.1022 179.1615 139 I 3.7045 7.3447 108.1614 62.4958 38.0566 177.6048 140 A 4.0724 7.1710 122.6333 54.9536 18.4782 179.1394 141 L 3.9016 7.1860 115.3515 56.3653 41.4479 177.9302 142 A 3.9014 7.0316 122.9984 52.6651 19.3108 179.7078 *143 H 3.9788 8.0626 121.6676 59.7779 28.3435 180.9541 144 K 4.3457 7.9335 121.4354 56.3878 31.8497 178.2549 145 Y 4.5669 7.6638 120.5877 57.1180 37.9316 175.3559 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 V 8.15 3.97 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 0.85 0.00 0.00 0.70 0.00 0.00 *2 H 8.46 4.76 0.00 3.02 2.87 0.00 7.16 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.48 4.89 0.00 2.90 2.93 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 4 T 8.49 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 1.25 0.00 0.00 5 A 8.54 4.09 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 6 E 8.13 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 7 E 8.06 4.20 0.00 2.26 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 2.34 2.36 0.00 8 K 8.21 3.87 0.00 1.77 1.75 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.71 7.81 9 A 7.71 3.91 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 10 A 7.87 3.96 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 11 V 7.43 3.32 1.70 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 0.24 0.00 0.00 0.28 0.00 0.00 12 T 7.73 4.07 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 1.26 0.00 0.00 13 S 8.13 4.23 0.00 4.05 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 14 L 7.83 4.09 0.00 2.09 1.73 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.56 4.51 0.00 3.74 3.23 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 16 S 7.87 4.32 0.00 4.15 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 17 K 7.69 4.46 0.00 2.06 1.99 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.71 7.81 18 M 6.75 4.59 0.00 2.49 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 19 N 8.15 4.56 0.00 2.68 2.64 0.00 0.00 6.80 7.71 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 20 V 7.68 3.47 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 0.69 0.00 0.00 0.89 0.00 0.00 21 E 7.71 4.09 0.00 2.18 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 0.00 2.35 2.28 0.00 22 E 8.70 4.11 0.00 1.93 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 0.00 2.24 2.19 0.00 23 A 8.22 4.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.64 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 0.00 0.00 0.00 25 G 8.03 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 26 E 7.79 3.95 0.00 2.18 1.93 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 2.29 2.44 0.00 27 A 7.66 3.92 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 28 L 7.90 4.00 0.00 1.81 1.64 0.61 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.14 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 30 R 7.80 3.90 0.00 2.10 1.95 0.00 3.08 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 7.97 4.01 0.00 1.83 1.86 1.07 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 32 L 7.57 3.96 0.00 1.77 1.69 0.74 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.34 3.68 1.99 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 0.72 0.00 0.00 0.95 0.00 0.00 34 V 7.65 3.59 1.49 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 0.05 0.00 0.00 0.74 0.00 0.00 35 Y 7.32 4.06 0.00 2.69 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 36 P 0.00 4.30 0.00 2.27 2.15 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 37 W 8.14 4.41 0.00 3.58 3.55 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 38 T 7.46 4.40 4.47 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 1.01 0.00 0.00 39 Q 8.30 4.26 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 40 R 7.45 3.74 0.00 1.58 1.50 0.00 3.10 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.44 0.00 41 F 7.53 4.29 0.00 2.39 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 0.00 0.00 0.00 0.00 42 F 7.27 4.38 0.00 2.76 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 0.00 0.00 0.00 0.00 43 D 8.16 4.38 0.00 2.79 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 44 S 8.05 4.47 0.00 4.17 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 45 F 8.49 4.49 0.00 3.17 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 46 G 7.32 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 0.00 0.00 0.00 0.00 47 N 8.81 4.55 0.00 2.72 2.80 0.00 0.00 6.59 7.78 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 48 L 8.21 4.94 0.00 1.65 1.62 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.33 4.34 0.00 3.98 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 50 S 7.60 4.71 0.00 4.00 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 51 P 0.00 4.34 0.00 2.15 2.12 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 S 7.98 4.10 0.00 3.86 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 53 A 7.99 4.04 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 54 I 8.02 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.89 0.00 0.00 55 L 7.82 4.22 0.00 1.68 1.71 0.92 0.97 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 56 G 7.98 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 0.00 0.00 0.00 57 N 7.51 4.37 0.00 3.00 2.89 0.00 0.00 7.03 7.05 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 58 P 0.00 4.27 0.00 2.15 2.05 0.00 3.63 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 2.09 2.12 0.00 59 K 8.24 3.90 0.00 1.49 0.96 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.78 1.12 7.81 60 V 7.89 3.77 2.27 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 1.00 0.00 0.00 1.10 0.00 0.00 61 K 7.79 4.00 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 62 A 7.83 3.98 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 63 H 8.70 4.45 0.00 3.54 3.56 0.00 5.79 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 64 G 8.25 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 65 K 7.90 4.06 0.00 1.94 1.91 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.70 7.81 66 K 7.72 4.02 0.00 2.01 1.87 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 67 V 7.55 3.66 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 1.00 0.00 0.00 1.05 0.00 0.00 68 L 8.27 4.52 0.00 2.12 1.84 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.26 4.15 4.55 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 1.29 0.00 0.00 70 S 7.94 4.39 0.00 4.10 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 71 F 8.29 4.45 0.00 3.55 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 72 G 8.28 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 0.00 0.00 0.00 73 D 8.01 4.40 0.00 2.61 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 74 A 7.65 4.22 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.34 3.38 1.58 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.23 0.64 0.00 0.00 76 K 7.48 4.15 0.00 2.08 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.35 7.81 77 N 7.66 5.00 0.00 2.73 2.88 0.00 0.00 6.81 7.29 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 78 M 8.24 3.88 0.00 1.45 1.86 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.98 0.00 79 D 7.53 4.38 0.00 2.70 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 80 N 7.60 4.91 0.00 2.70 2.60 0.00 0.00 6.69 7.79 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 81 L 8.49 4.27 0.00 1.74 1.79 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.40 3.93 0.00 1.67 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.08 7.81 83 P 0.00 4.20 0.00 2.02 2.13 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 84 A 8.03 3.98 1.19 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 85 F 7.82 4.61 0.00 2.79 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 86 A 8.04 4.11 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 87 K 7.92 4.01 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.09 7.81 88 L 7.88 4.38 0.00 1.84 1.88 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.40 4.23 0.00 4.00 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 90 E 8.06 4.00 0.00 2.24 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 2.40 2.34 0.00 91 L 7.76 3.93 0.00 1.85 1.81 0.91 1.49 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 92 H 8.60 4.40 0.00 3.64 3.76 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.19 3.64 0.00 3.42 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 94 D 8.27 4.30 0.00 2.64 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 95 K 7.84 4.21 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.02 7.81 96 L 7.61 4.41 0.00 1.77 1.68 0.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.39 3.92 0.00 3.34 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.41 4.01 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 0.28 0.00 0.00 0.35 0.00 0.00 99 D 8.39 4.54 0.00 2.80 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 0.00 0.00 0.00 0.00 100 P 0.00 3.54 0.00 2.16 2.00 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 101 E 8.06 3.94 0.00 2.08 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 2.28 2.39 0.00 102 N 8.12 4.53 0.00 2.61 2.81 0.00 0.00 6.91 8.99 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 0.00 103 F 7.53 4.58 0.00 3.14 2.90 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 0.00 104 K 8.09 4.12 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.56 7.81 105 L 7.55 3.96 0.00 1.87 1.38 0.62 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.10 4.22 0.00 1.95 1.98 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.21 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.39 4.42 0.00 3.03 2.98 0.00 0.00 6.69 7.21 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 0.00 109 V 8.07 3.67 2.30 0.00 0.00 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 0.00 0.00 1.13 0.00 0.00 110 M 8.10 3.89 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 111 V 7.78 3.48 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 1.31 0.00 0.00 1.21 0.00 0.00 112 I 7.72 3.78 1.98 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 1.55 1.26 0.87 0.00 0.00 113 I 7.36 3.53 1.81 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 1.73 1.18 0.62 0.00 0.00 114 L 7.34 3.73 0.00 0.69 0.97 -0.57 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.11 3.77 1.37 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 0.00 0.00 116 T 7.31 3.88 4.17 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 1.14 0.00 0.00 117 H 7.66 4.19 0.00 2.64 2.51 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.27 4.69 0.00 3.19 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 0.00 119 G 8.69 3.87 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 0.00 0.00 0.00 120 K 9.14 3.94 0.00 2.07 1.96 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.02 7.81 121 E 8.19 4.08 0.00 2.27 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 0.00 2.38 2.33 0.00 122 F 8.12 4.63 0.00 3.05 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 0.00 123 T 7.37 4.13 4.34 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 1.30 0.00 0.00 124 P 0.00 4.14 0.00 2.14 2.11 0.00 3.55 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 2.09 2.15 0.00 125 E 7.97 3.95 0.00 2.02 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 2.38 2.40 0.00 126 V 7.36 3.70 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 1.18 0.00 0.00 0.92 0.00 0.00 127 Q 7.96 3.68 0.00 1.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 128 A 8.01 3.97 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 0.00 129 A 7.68 3.94 1.40 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 0.00 130 W 8.30 4.09 0.00 3.77 3.48 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 0.00 0.00 0.00 0.00 131 Q 8.65 4.13 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 132 K 7.96 3.86 0.00 1.91 1.91 0.00 1.39 0.00 0.00 1.09 0.00 0.00 2.33 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.86 1.21 7.81 133 L 8.04 4.24 0.00 1.81 1.82 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.27 3.86 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 1.12 0.00 0.00 1.23 0.00 0.00 135 S 8.48 4.19 0.00 4.06 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 0.00 136 A 7.94 3.98 1.45 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 0.00 0.00 137 V 7.84 3.05 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 0.05 0.00 0.00 0.92 0.00 0.00 138 A 7.80 3.85 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 0.00 0.00 139 I 7.34 3.70 1.82 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 1.61 0.58 0.94 0.00 0.00 140 A 7.17 4.07 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 0.00 141 L 7.19 3.90 0.00 0.85 0.66 0.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.03 3.90 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 *143 H 8.06 3.98 0.00 2.94 2.99 0.00 7.21 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 0.00 144 K 7.93 4.35 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.25 7.81 145 Y 7.66 4.57 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.