NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4045 0.0000 0.0000 62.7882 32.7056 175.6790 8 A 4.2584 8.3074 120.7758 53.2617 20.9541 175.2654 9 T 4.1124 7.6104 114.2300 62.4266 70.5063 176.0417 10 A 4.3204 6.9178 126.0407 52.8341 23.6376 175.8621 11 E 4.2354 8.5133 115.2023 56.5771 30.2291 176.0087 12 E 4.5991 8.3466 120.2541 54.7452 31.3731 177.2696 13 S 4.3531 8.4152 118.8243 57.7689 65.3564 175.1159 14 V 3.5753 8.4408 123.3251 66.6580 31.0442 177.9856 15 D 4.3598 8.1150 117.5536 57.8026 40.8391 179.3542 16 V 3.6346 7.5017 111.8349 64.2290 31.4738 178.8862 17 I 3.7358 7.7380 119.5730 64.5521 36.9571 178.5258 18 T 3.8571 8.3256 116.9350 66.8098 68.3456 176.3154 19 D 4.3568 8.3188 120.6845 57.4891 40.8616 178.9357 20 A 3.9875 7.8670 120.6185 55.1225 18.2799 179.7360 21 L 3.8244 7.9989 117.5818 57.4580 41.6713 179.4443 22 L 3.8738 8.2834 120.8374 58.5333 42.2092 179.2408 23 T 3.8381 7.8352 115.3569 66.5648 68.3901 176.4225 24 A 4.0019 8.0134 122.9528 55.2647 18.3475 179.8580 25 S 4.0725 8.2260 112.9283 61.6150 63.0017 177.0198 26 R 3.9281 7.8801 121.2652 58.9248 29.7623 178.7546 27 L 3.9761 7.8799 119.8865 57.9323 41.9589 179.0173 28 L 4.0372 7.9464 119.2236 57.4517 41.5081 179.4564 29 V 3.5415 7.9350 118.1145 65.8977 31.4608 177.7400 30 A 3.9617 8.1303 120.5370 55.4099 18.1595 179.7459 31 I 3.6822 7.7438 118.0631 64.6459 37.1672 178.9289 32 S 4.0607 8.4110 116.0891 61.3485 62.6468 176.4975 33 A 3.8787 8.6072 123.8374 55.4431 18.0253 178.8277 34 H 3.9888 8.1067 116.6836 59.7817 29.9853 177.5566 35 S 3.8531 7.8445 116.4480 61.4981 62.6407 176.7452 36 I 3.4571 8.1393 122.4954 64.3166 36.6242 178.4204 37 A 3.7976 7.5895 120.1293 55.1479 18.2226 179.0973 38 Q 3.9135 7.5237 117.4052 58.7171 29.0604 178.0388 39 V 4.2202 6.9818 116.8857 63.5570 32.1172 175.5950 40 D 4.3974 8.5570 121.5198 52.9985 42.4271 175.1608 41 E 3.9048 8.7578 125.3266 57.9320 30.1459 177.3079 42 N 4.6773 7.9782 116.0223 54.0949 40.1117 175.5578 43 I 3.8238 7.1267 117.6777 61.7567 38.5644 176.0930 44 T 4.4535 8.3486 117.5533 60.4307 71.8736 176.0629 45 I 3.7536 8.0969 120.7897 64.2196 37.1623 176.9616 46 P 4.3403 0.0000 0.0000 65.6838 31.1364 178.4729 47 Q 3.9355 7.8504 117.7590 58.9731 28.6447 178.3374 48 F 4.2511 8.3044 121.6085 61.3592 39.3288 177.2340 49 R 3.7839 8.2265 117.7038 59.4453 29.8650 178.9192 50 T 3.8093 7.8134 115.4051 66.7860 68.5253 176.2852 51 L 3.8940 7.7288 120.5457 57.9544 41.6048 179.9851 52 V 3.3548 7.5213 118.0190 65.7928 31.3408 177.8504 53 I 3.6981 7.7745 119.7812 64.7345 36.9772 178.4273 54 L 3.9969 7.9188 119.4713 57.6269 41.1635 179.4680 55 S 4.0643 7.8162 112.4348 61.5819 62.4072 175.7715 56 N 4.4455 8.3449 118.3934 55.6611 38.4011 176.2024 57 H 4.7641 8.5084 115.3838 55.5753 30.7664 175.6196 58 G 3.8166 8.4654 109.4367 43.6397 0.0000 170.6834 59 P 5.1198 0.0000 0.0000 62.5199 31.6653 176.2784 60 I 4.8172 8.1599 116.6374 59.0551 41.4130 174.1789 61 N 5.1432 8.6201 120.8949 52.1531 38.5038 175.9430 62 L 3.9728 8.6394 119.2062 57.6297 41.6579 179.3722 63 A 3.9778 8.0524 120.3950 55.6669 18.2783 179.7263 64 T 3.7294 8.4355 114.0585 66.6166 68.4914 176.3751 65 L 3.8583 7.8999 122.1119 58.4525 42.0143 178.7879 66 A 3.9777 8.3370 120.5821 55.5778 18.0535 179.6762 67 T 3.7882 7.5681 112.6724 66.9533 68.6679 176.5960 68 L 4.1094 7.7358 119.2587 57.7907 41.6567 179.3679 69 L 4.1937 8.0490 118.7064 55.4398 41.5810 177.7301 70 G 3.8174 8.1377 105.9324 46.3767 0.0000 173.1745 71 V 4.4844 7.4481 116.9546 59.9578 34.1958 175.6151 72 Q 4.1863 8.3031 122.7791 55.2207 30.4116 175.9390 73 P 4.3083 0.0000 0.0000 65.6116 31.3772 179.1447 74 S 4.0252 7.9927 111.3837 61.4490 62.2990 175.9847 75 A 4.0829 7.8877 121.0595 54.9624 18.1991 179.2728 76 T 4.1053 7.4671 113.3508 66.5322 68.8052 176.7574 77 G 3.8479 7.8800 107.5890 47.7220 0.0000 175.7870 78 R 3.7301 7.3180 116.6521 57.3401 29.9533 177.8539 *80 V 4.0031 7.8272 117.7166 62.8102 33.3925 176.8942 81 D 4.3275 8.0930 118.6518 57.3450 40.8533 178.4208 82 R 3.9264 7.8797 118.1124 59.4732 30.1926 179.1650 83 L 4.0262 7.8820 117.8032 57.3008 41.6130 179.6382 84 V 4.0229 7.5469 120.6189 65.4514 31.2689 178.3320 85 G 3.6248 7.9951 104.1982 47.4332 0.0000 174.7017 86 A 4.2655 8.0976 120.1586 51.4162 18.7564 176.8344 87 E 3.8533 7.9819 115.9522 57.7055 27.7867 175.3926 88 L 4.6154 8.4130 119.4419 55.1564 43.9677 177.0213 89 I 5.0601 7.6479 118.6127 59.4910 41.3194 174.2929 90 D 4.9991 9.3122 125.2076 52.7602 43.9732 175.3020 91 R 5.2169 8.4583 119.2551 54.5892 32.5068 175.5454 92 L 5.0261 9.0350 122.7109 51.9400 45.8631 174.4382 93 P 4.6887 0.0000 0.0000 62.9207 32.3248 175.6256 94 H 4.3479 8.8850 121.5768 55.6940 31.2671 172.8742 95 P 4.7802 0.0000 0.0000 61.1535 29.8680 173.3967 96 T 5.1825 7.6418 111.2822 59.8143 70.9441 174.1943 97 S 4.6997 8.4353 123.6173 57.0387 64.7315 173.0715 98 R 3.7685 8.5275 117.3170 59.2449 29.9894 174.6002 99 R 3.6854 7.8126 128.6651 56.1177 28.4332 175.1730 100 E 4.2561 8.0210 128.8976 55.8387 31.3073 177.0848 101 L 4.2413 9.0563 121.6608 56.6095 40.6019 173.1998 102 L 5.0727 9.0186 124.4749 52.5357 45.8841 175.2653 103 A 5.2846 8.8302 123.6556 50.4600 21.6799 175.6926 104 A 4.8926 8.6586 121.8415 50.0939 23.3096 175.6216 105 L 4.5496 8.4178 119.6942 54.9168 42.6672 177.4680 106 T 4.1092 8.5806 119.9191 62.9655 69.6946 175.4436 107 K 3.8425 8.8255 122.8626 59.9180 31.8695 178.7458 108 R 3.9942 8.0233 117.7737 59.3018 30.2154 178.7736 109 G 3.8027 8.2010 104.8968 48.2079 0.0000 175.5786 110 R 3.9681 8.1813 120.3259 59.0623 30.0102 178.8667 111 D 4.3811 8.3262 118.8236 57.2319 40.7782 178.7827 112 V 3.6217 8.0693 118.9794 66.2402 31.5202 178.2175 113 V 3.7565 7.6887 117.1261 66.2968 31.3690 178.2830 114 R 4.0291 8.1452 117.7578 59.2255 29.9049 179.0708 115 Q 4.0218 8.4584 118.3179 58.8609 28.6281 178.9279 116 V 3.6325 7.9546 119.3850 66.1896 31.5659 178.2015 117 T 3.8996 8.0106 115.5552 66.7719 68.4500 176.2286 118 E 4.0119 8.4102 121.1940 59.4191 29.6132 178.5943 119 H 4.1392 8.3383 116.2745 58.8696 28.7723 177.7510 120 R 3.9846 8.1967 120.1589 59.5157 29.9706 179.4545 121 R 4.0503 8.4834 115.9315 59.4245 29.3917 179.0116 122 T 3.8821 7.8499 116.3184 66.3521 68.5448 176.4021 123 E 3.9236 8.3379 121.3013 59.1966 29.6923 178.7951 124 I 3.6684 8.1747 120.0738 64.4204 37.1894 178.1041 125 A 4.0053 8.1316 121.5650 55.1929 17.9326 179.5591 126 R 3.8192 7.7345 115.9796 59.7282 30.4632 178.5372 127 I 3.8442 7.6317 119.1966 64.4488 36.8944 178.6672 128 V 3.6298 8.0373 118.3287 65.9690 31.3857 177.5818 129 E 4.1185 8.2014 117.6734 58.8728 29.7095 177.3172 130 Q 4.1572 7.7210 118.0138 55.7524 28.9566 175.9488 *132 A 4.1272 7.7786 119.5872 51.2248 20.4152 176.3917 133 P 4.2005 0.0000 0.0000 66.1164 31.3751 178.9246 134 A 4.0713 7.9550 118.6855 54.9505 18.3501 179.4464 135 E 3.9437 8.3534 117.4986 59.3814 29.6504 179.3572 136 R 3.9256 8.0182 117.7075 59.7458 30.2199 178.3522 137 H 4.1428 8.2208 117.4257 59.2890 29.8627 177.4962 138 G 3.6964 8.1521 107.4814 47.5590 0.0000 175.5082 139 L 3.9464 7.9752 122.6021 57.9095 42.1794 178.9146 140 V 3.5643 7.6157 118.1029 66.1032 31.3958 177.7985 141 R 3.8748 8.0346 117.9089 59.4782 30.0455 178.2760 142 A 4.0128 8.1299 120.3991 55.3414 18.4651 179.6346 143 L 4.1453 8.0894 117.2312 57.8328 41.7034 179.8506 144 T 3.9567 8.1679 115.9544 66.4100 68.3578 176.6904 145 A 4.0275 8.2626 122.8829 55.0545 18.2562 179.4785 146 F 4.1072 8.2435 118.8610 61.8523 39.2778 177.5721 147 T 3.7180 7.8489 114.2625 66.3441 68.2321 176.1031 148 E 4.0233 8.0439 120.4996 59.7489 29.7952 177.9132 149 A 4.0082 8.0587 119.7223 52.9491 18.4916 178.3287 150 G 3.9034 7.0363 105.1566 42.8100 0.0000 173.9660 151 G 3.6859 8.6359 108.1910 47.6777 0.0000 173.6015 152 E 4.1215 7.9327 121.4410 55.8917 29.7263 175.5150 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 7 P 0.00 4.40 0.00 2.19 2.12 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 8 A 8.31 4.26 1.25 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 0.00 0.00 0.00 9 T 7.61 4.11 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 10 A 6.92 4.32 1.27 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 11 E 8.51 4.24 0.00 1.98 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 2.32 2.33 0.00 12 E 8.35 4.60 0.00 1.95 1.88 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 2.24 2.28 0.00 13 S 8.42 4.35 0.00 4.05 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 14 V 8.44 3.58 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 1.08 0.00 0.00 0.95 0.00 0.00 15 D 8.11 4.36 0.00 2.73 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 16 V 7.50 3.63 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 0.89 0.00 0.00 0.98 0.00 0.00 17 I 7.74 3.74 2.02 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 1.54 1.02 0.94 0.00 0.00 18 T 8.33 3.86 4.40 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 1.23 0.00 0.00 19 D 8.32 4.36 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 20 A 7.87 3.99 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 21 L 8.00 3.82 0.00 1.80 1.41 0.77 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.28 3.87 0.00 1.80 1.83 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.84 3.84 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 A 8.01 4.00 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 25 S 8.23 4.07 0.00 4.01 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 0.00 26 R 7.88 3.93 0.00 2.09 2.00 0.00 3.11 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 27 L 7.88 3.98 0.00 1.78 1.81 0.91 0.42 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 28 L 7.95 4.04 0.00 1.88 1.70 0.90 0.80 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 29 V 7.94 3.54 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 1.00 0.00 0.00 1.00 0.00 0.00 30 A 8.13 3.96 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 31 I 7.74 3.68 2.03 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 1.52 0.69 0.94 0.00 0.00 32 S 8.41 4.06 0.00 3.95 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 33 A 8.61 3.88 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.11 3.99 0.00 3.25 3.60 0.00 5.78 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 35 S 7.84 3.85 0.00 3.98 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 36 I 8.14 3.46 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.57 0.62 0.00 0.00 37 A 7.59 3.80 1.29 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 0.00 0.00 0.00 38 Q 7.52 3.91 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 39 V 6.98 4.22 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 0.95 0.00 0.00 0.90 0.00 0.00 40 D 8.56 4.40 0.00 2.62 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 41 E 8.76 3.90 0.00 2.09 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 2.26 2.31 0.00 42 N 7.98 4.68 0.00 2.88 2.89 0.00 0.00 6.88 7.06 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 43 I 7.13 3.82 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.90 0.00 0.00 44 T 8.35 4.45 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 1.22 0.00 0.00 45 I 8.10 3.75 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 1.73 0.82 0.96 0.00 0.00 46 P 0.00 4.34 0.00 2.28 2.33 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 47 Q 7.85 3.94 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 48 F 8.30 4.25 0.00 3.13 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 49 R 8.23 3.78 0.00 2.14 1.95 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 50 T 7.81 3.81 4.43 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 1.19 0.00 0.00 51 L 7.73 3.89 0.00 1.73 1.51 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.52 3.35 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 0.98 0.00 0.00 0.23 0.00 0.00 53 I 7.77 3.70 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.89 0.00 0.00 54 L 7.92 4.00 0.00 1.67 1.70 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.82 4.06 0.00 3.83 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 N 8.34 4.45 0.00 2.83 2.69 0.00 0.00 6.94 7.72 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 57 H 8.51 4.76 0.00 3.11 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.47 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 59 P 0.00 5.12 0.00 1.94 2.01 0.00 3.71 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 60 I 8.16 4.82 1.86 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 1.60 0.55 0.91 0.00 0.00 61 N 8.62 5.14 0.00 2.93 3.09 0.00 0.00 6.75 6.67 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 62 L 8.64 3.97 0.00 1.67 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.05 3.98 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 64 T 8.44 3.73 4.35 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 1.17 0.00 0.00 65 L 7.90 3.86 0.00 1.89 1.82 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.34 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 67 T 7.57 3.79 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 1.19 0.00 0.00 68 L 7.74 4.11 0.00 1.76 1.70 0.86 0.87 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 69 L 8.05 4.19 0.00 1.83 1.72 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.14 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 71 V 7.45 4.48 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 0.88 0.00 0.00 0.93 0.00 0.00 72 Q 8.30 4.19 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 73 P 0.00 4.31 0.00 2.15 2.10 0.00 3.59 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 2.11 2.14 0.00 74 S 7.99 4.03 0.00 3.88 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 75 A 7.89 4.08 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.47 4.11 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 1.21 0.00 0.00 77 G 7.88 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 78 R 7.32 3.73 0.00 1.99 2.04 0.00 3.13 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 *80 V 7.83 4.00 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 1.00 0.00 0.00 0.95 0.00 0.00 81 D 8.09 4.33 0.00 2.97 2.86 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 82 R 7.88 3.93 0.00 1.94 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 83 L 7.88 4.03 0.00 1.83 1.73 0.93 0.86 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 84 V 7.55 4.02 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 1.26 0.00 0.00 1.01 0.00 0.00 85 G 8.00 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 86 A 8.10 4.27 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.98 3.85 0.00 2.14 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 2.25 2.43 0.00 88 L 8.41 4.62 0.00 1.55 1.71 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.65 5.06 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 1.34 0.84 0.91 0.00 0.00 90 D 9.31 5.00 0.00 2.52 2.54 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 91 R 8.46 5.22 0.00 1.67 1.82 0.00 3.15 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 92 L 9.04 5.03 0.00 1.49 1.50 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.69 0.00 2.08 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 94 H 8.89 4.35 0.00 3.37 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.78 0.00 2.16 2.01 0.00 3.08 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 96 T 7.64 5.18 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 1.23 0.00 0.00 97 S 8.44 4.70 0.00 3.62 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 98 R 8.53 3.77 0.00 1.83 1.96 0.00 3.39 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 99 R 7.81 3.69 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 100 E 8.02 4.26 0.00 1.98 1.88 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 2.26 2.31 0.00 101 L 9.06 4.24 0.00 1.73 2.01 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.02 5.07 0.00 1.78 1.50 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.83 5.28 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 0.00 104 A 8.66 4.89 1.20 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 0.00 0.00 105 L 8.42 4.55 0.00 1.54 1.61 0.93 0.91 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 0.00 106 T 8.58 4.11 4.41 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 1.30 0.00 0.00 107 K 8.83 3.84 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 108 R 8.02 3.99 0.00 1.97 1.97 0.00 3.38 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 109 G 8.20 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.18 3.97 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 111 D 8.33 4.38 0.00 2.86 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 0.00 112 V 8.07 3.62 2.32 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 1.15 0.00 0.00 1.01 0.00 0.00 113 V 7.69 3.76 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 0.95 0.00 0.00 0.96 0.00 0.00 114 R 8.15 4.03 0.00 1.90 1.98 0.00 3.35 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 115 Q 8.46 4.02 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 116 V 7.95 3.63 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 1.05 0.00 0.00 0.89 0.00 0.00 117 T 8.01 3.90 4.43 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 1.24 0.00 0.00 118 E 8.41 4.01 0.00 2.17 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 2.28 2.34 0.00 119 H 8.34 4.14 0.00 3.43 3.29 0.00 5.88 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 0.00 120 R 8.20 3.98 0.00 2.07 2.02 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 121 R 8.48 4.05 0.00 2.01 2.21 0.00 2.77 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 122 T 7.85 3.88 4.39 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 1.22 0.00 0.00 123 E 8.34 3.92 0.00 2.13 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 0.00 2.30 2.38 0.00 124 I 8.17 3.67 1.96 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 1.46 0.53 0.92 0.00 0.00 125 A 8.13 4.01 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 0.00 126 R 7.73 3.82 0.00 1.98 2.15 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 127 I 7.63 3.84 2.00 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 1.39 0.59 0.90 0.00 0.00 128 V 8.04 3.63 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 0.83 0.00 0.00 0.95 0.00 0.00 129 E 8.20 4.12 0.00 2.16 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 0.00 2.35 2.59 0.00 130 Q 7.72 4.16 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 *132 A 7.78 4.13 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 0.00 133 P 0.00 4.20 0.00 2.16 2.16 0.00 3.60 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 2.13 2.20 0.00 134 A 7.95 4.07 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.35 3.94 0.00 2.19 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 0.00 2.33 2.35 0.00 136 R 8.02 3.93 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 137 H 8.22 4.14 0.00 3.39 3.31 0.00 5.59 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 0.00 138 G 8.15 3.70 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 0.00 0.00 0.00 139 L 7.98 3.95 0.00 1.93 1.85 0.91 0.65 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 0.00 140 V 7.62 3.56 2.17 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 0.91 0.00 0.00 0.92 0.00 0.00 141 R 8.03 3.87 0.00 1.95 2.12 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 142 A 8.13 4.01 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 0.00 143 L 8.09 4.15 0.00 1.75 1.77 0.92 0.43 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 0.00 144 T 8.17 3.96 4.43 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 1.23 0.00 0.00 145 A 8.26 4.03 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 0.00 146 F 8.24 4.11 0.00 3.11 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 0.00 147 T 7.85 3.72 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 1.22 0.00 0.00 148 E 8.04 4.02 0.00 2.11 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 0.00 2.31 2.35 0.00 149 A 8.06 4.01 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 0.00 150 G 7.04 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 0.00 151 G 8.64 3.69 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 0.00 152 E 7.93 4.12 0.00 2.00 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 0.00 2.11 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.