NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3437 8.1727 122.1448 54.5911 34.6174 177.7057 3 S 4.0009 8.0611 112.0226 61.4102 62.4267 174.1364 4 T 3.8390 8.7768 119.3023 67.0789 68.6449 175.6723 5 E 4.1148 8.1525 119.5851 59.1459 29.5225 179.2482 6 K 3.9311 7.8333 119.9499 59.2076 32.2755 178.8987 7 K 3.8603 8.2351 120.1902 59.5904 32.1460 178.7300 8 E 3.4606 8.4758 119.2354 58.9546 29.2319 179.0590 9 L 4.0510 7.9313 120.3846 58.4310 42.1883 179.2514 10 S 4.1560 8.0473 115.0221 61.6566 62.6897 176.2900 11 H 4.0222 7.8432 120.9569 59.2403 29.6082 177.4469 12 F 4.2276 7.6657 119.5800 60.3924 38.6913 177.4812 13 R 4.0625 8.3371 120.1591 58.7470 29.8288 178.1511 14 L 3.9485 7.9695 119.8642 58.2604 42.0783 179.0052 15 K 4.0185 8.0678 118.3075 59.4851 31.8793 179.0780 16 L 4.2257 8.0065 120.5076 57.9638 41.9822 178.6353 17 E 4.0426 8.6529 119.0388 59.8306 29.4636 179.4794 18 T 3.9062 8.1600 115.6285 66.8092 68.5645 176.0365 19 Y 4.1360 8.2552 121.3484 60.8287 38.8057 178.1568 20 L 4.2465 8.6253 120.2482 57.9854 41.5344 179.0573 21 N 4.2422 8.3545 115.7756 56.4884 38.5357 176.8036 22 E 4.0468 7.9084 118.6636 58.4142 29.8282 177.7655 23 H 4.8067 7.8262 113.4258 55.1899 31.9915 174.2282 24 F 4.8936 8.0957 118.5804 55.1140 39.5055 173.0712 25 P 4.2471 0.0000 0.0000 65.7733 31.4320 178.7831 26 E 4.0674 7.8898 114.2495 56.6024 28.5841 177.7357 *28 S 4.4405 8.1209 114.2662 58.6317 64.7314 174.1915 29 G 3.9640 7.9969 108.4963 45.5104 0.0000 174.4707 30 N 4.6290 7.8090 119.9786 51.9974 37.8074 174.5110 31 N 4.3073 8.4607 124.8010 55.9391 39.3448 174.0089 32 P 4.2631 0.0000 0.0000 65.6668 31.3586 178.3727 33 F 4.2021 8.6942 119.1722 61.3363 39.3220 177.2040 34 I 3.4372 7.9012 119.4310 64.6675 36.8796 178.4146 35 T 3.7710 8.1972 116.4407 66.6765 68.3591 176.5760 36 A 3.8829 7.7852 122.4961 55.1361 18.3990 179.7188 37 R 3.5691 8.0777 117.5782 59.3509 29.8780 178.8326 38 S 3.9999 8.0713 115.3312 61.6061 62.8448 176.2688 39 D 4.3373 8.1179 121.5312 57.5014 40.5786 178.7583 40 E 3.8621 8.0889 118.5769 59.3391 29.3737 179.3163 41 A 3.5645 7.7958 120.6386 54.7872 18.3126 179.1657 42 L 4.0216 7.7282 118.7875 58.8876 42.0645 179.2638 43 T 3.8775 7.9469 115.1283 66.6846 68.3381 176.3291 44 A 3.9125 7.8870 122.5043 55.1677 18.3395 178.9664 45 Y 3.8907 8.1558 118.1603 61.2115 38.9548 178.1750 46 C 4.1853 8.7668 117.9778 62.8132 28.2984 175.8450 47 D 4.3384 8.5131 120.6314 57.2900 40.4797 178.6496 48 A 4.1061 8.0067 121.1220 55.2516 18.4922 179.5023 49 V 3.6133 7.6180 116.5192 66.4669 31.2841 178.0976 50 A 4.0515 7.9273 118.5905 54.7936 18.2648 178.6403 51 Q 4.3349 7.5934 113.8308 55.4497 29.3385 176.3797 52 G 3.9468 7.6019 106.9685 45.1659 0.0000 174.5371 53 F 4.4469 7.9719 118.7749 56.8134 39.7031 176.0167 54 S 4.4979 9.4328 119.2614 57.8526 65.0267 174.9021 55 H 4.1845 8.7938 120.8887 59.3202 29.5008 175.2734 56 P 4.2233 0.0000 0.0000 65.4932 30.9751 178.4565 57 E 3.9713 8.0204 116.2475 59.3729 29.4875 178.9690 58 A 3.9770 8.1254 119.9718 55.1025 18.6338 178.9813 59 E 4.5196 8.6659 118.1418 59.4385 29.7612 178.9510 60 S 4.3817 8.0726 108.7075 59.5546 61.9856 175.1350 *62 A 4.0225 7.8920 124.8917 52.0205 20.4447 179.8894 63 S 3.8669 8.1950 112.0330 61.5827 62.6221 176.7461 64 E 4.0358 8.0852 121.2590 59.2149 28.9316 179.5269 65 V 3.4667 7.4665 116.9101 65.8395 31.7439 177.0562 66 L 3.7650 7.5359 119.0304 58.1450 42.0376 177.8724 67 Y 4.6110 7.4316 113.8646 56.6874 38.2177 175.2764 68 Q 4.0188 7.2186 121.9735 57.8705 29.3258 177.1185 69 G 4.0117 9.8122 112.9214 46.1341 0.0000 173.6601 70 L 4.7467 8.1513 118.0716 54.7977 42.0911 177.3829 71 H 4.5003 9.0184 119.1938 57.9839 28.8824 175.6459 72 F 4.5745 8.3727 121.2385 56.6703 40.5310 174.9632 73 S 4.1724 7.1538 121.3575 55.8290 64.4809 174.4012 74 R 3.6669 8.2981 128.9046 59.3488 29.8387 177.9964 75 Y 3.9894 7.7326 118.6097 61.0588 38.7276 177.8756 76 D 4.1384 8.0069 119.4708 57.6401 40.7840 179.1158 77 T 4.0045 7.7773 116.0905 66.6258 68.4094 176.7799 78 L 3.9498 8.0845 120.9403 57.6621 41.5534 179.6471 79 V 3.3782 7.4435 118.1407 65.9585 31.4221 178.0364 80 S 4.0748 8.0842 112.7525 61.3097 62.2549 175.9978 81 V 3.3593 7.9871 121.1882 66.2080 31.1606 177.9812 82 L 4.2421 8.1854 118.7199 57.9752 41.2051 179.4879 83 E 4.0407 8.3491 117.9656 59.3777 29.5113 179.1476 84 R 4.1960 8.5449 117.4461 58.0829 30.4130 177.7711 85 E 4.4312 8.3011 115.9494 55.8338 31.3853 176.5343 86 F 5.6405 7.6628 116.3098 55.9323 40.3749 176.7700 87 E 4.0292 8.5487 123.9712 59.5139 29.7008 178.1362 88 Q 4.1691 8.1413 116.4286 58.8365 29.1436 177.2256 89 E 4.3331 8.2038 116.3673 58.0026 30.5857 176.1182 90 L 5.0882 8.2218 118.1675 52.5753 42.7832 173.9062 91 P 4.5244 0.0000 0.0000 61.5357 32.9190 176.5256 92 S 4.2903 8.5411 113.4569 58.9722 62.5102 172.7878 93 P 4.7896 0.0000 0.0000 63.1209 31.3326 177.6705 94 L 3.9502 7.8109 121.2728 57.9627 41.5201 177.4339 95 P 4.1930 0.0000 0.0000 65.9200 31.0995 178.5038 96 E 4.0690 8.0747 115.1165 59.3544 29.4608 179.0981 97 R 4.1744 7.6787 117.2582 58.8041 30.4827 178.4582 98 L 4.1949 8.4681 118.9020 56.9381 41.6573 178.9712 99 A 3.9507 7.9711 121.0566 54.9565 18.0700 177.9510 100 P 4.2961 0.0000 0.0000 65.6661 31.7361 178.7021 101 I 3.9372 7.6891 118.3233 64.3073 37.1410 178.1006 102 L 4.0079 8.2565 120.2356 57.7867 41.2133 179.3021 103 L 4.0392 8.1259 119.4686 57.5247 42.0254 178.1949 104 K 4.3784 7.5903 115.7172 55.2712 32.9051 175.9124 105 N 4.6471 7.9537 120.4812 52.6564 39.9791 175.9322 106 K 4.0202 8.8365 124.8597 59.4079 31.7878 179.1522 107 A 4.0007 8.0639 120.5319 55.2970 18.3305 179.6140 108 I 3.6450 8.2429 118.1792 64.6792 37.1967 178.4486 109 Q 4.2293 8.5709 119.5840 59.3948 28.4000 179.6194 110 S 4.1638 8.0461 113.6006 61.2004 63.2328 176.6458 111 V 3.7418 7.5586 121.5167 66.1216 31.4268 177.9660 112 F 4.4152 8.2392 117.2982 60.7039 38.5450 177.4850 113 A 4.2030 8.2781 119.2439 54.4386 18.2321 179.1656 114 K 3.9756 7.8785 115.3416 57.2208 32.4981 176.5070 115 Y 4.5887 7.2667 116.4531 56.0103 40.1722 175.5720 116 D 4.5395 8.4193 122.6392 53.1844 40.6993 176.9470 117 L 3.5514 7.7636 131.6844 53.4393 40.5853 176.4428 118 T 4.2959 7.3502 111.4229 60.9744 70.3197 175.8091 119 D 4.5284 8.8124 121.6689 57.2886 41.1564 177.4979 120 D 4.8325 8.0556 116.3392 52.9927 40.1528 177.7107 121 F 4.1660 8.4821 124.8285 61.6640 39.4727 177.0279 122 E 3.4668 8.4382 119.5324 58.8047 29.5747 177.6111 123 A 4.0061 7.4276 119.9249 54.2721 18.7628 177.7390 124 S 4.0334 7.5895 110.5187 58.3100 62.6868 173.4114 125 P 4.2463 0.0000 0.0000 65.8209 31.0819 178.3972 126 E 4.3914 8.0061 114.7703 58.2069 29.6773 177.9618 127 Y 3.8655 7.1080 121.6326 61.0655 38.7581 178.0339 128 E 3.7579 7.7453 117.8257 59.4534 29.4656 179.0658 129 H 4.2052 7.9721 115.7887 58.7720 28.9114 177.0295 130 L 3.4797 7.5979 121.9319 58.3764 41.8023 178.3294 131 Y 3.7699 7.7154 119.2450 61.0740 38.6500 178.3782 132 T 3.9549 8.1131 116.5837 66.5081 68.5443 176.4451 133 E 3.9347 8.2222 121.3415 59.1756 29.6808 178.7618 134 L 3.8234 8.1661 119.4431 57.9675 41.5322 179.5312 135 T 4.0887 7.8366 115.6960 66.7785 68.4512 176.7810 136 G 3.6520 8.1888 107.4353 48.0540 0.0000 175.8033 137 T 3.8308 7.9759 117.9727 66.5484 68.4281 176.7970 138 I 3.5104 7.7964 121.6791 64.2203 36.9350 178.4053 139 V 3.6960 8.2063 119.3941 66.3354 31.1895 178.1778 140 L 3.9954 7.8261 118.3804 57.5933 41.4073 179.3055 141 L 3.9584 8.2175 119.3800 57.8863 41.5870 179.7157 142 I 3.6575 7.9204 119.7611 64.5929 36.8841 178.4882 143 E 4.0645 8.2870 118.4362 58.9081 29.3506 178.6183 144 S 4.4485 8.1583 111.7860 57.3708 63.8872 173.2736 145 N 4.1417 7.9445 119.7467 55.9091 37.5441 173.8432 146 H 4.7846 8.4637 110.0738 54.9567 29.9087 174.1203 147 L 4.0516 7.7699 122.2533 54.0890 42.3848 175.1462 148 P 4.3796 0.0000 0.0000 62.8934 31.8968 175.3987 149 T 4.5349 8.0336 113.0078 60.9345 71.6827 174.8258 150 I 3.5949 8.2673 118.0312 60.6723 35.4448 169.4674 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.17 4.34 0.00 1.70 1.89 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 3 S 8.06 4.00 0.00 3.96 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 4 T 8.78 3.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 5 E 8.15 4.11 0.00 2.03 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 2.50 2.43 0.00 6 K 7.83 3.93 0.00 1.77 1.93 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 7 K 8.24 3.86 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.38 7.81 8 E 8.48 3.46 0.00 1.75 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 2.17 1.57 0.00 9 L 7.93 4.05 0.00 1.86 1.83 0.95 0.85 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 10 S 8.05 4.16 0.00 3.98 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 11 H 7.84 4.02 0.00 3.06 2.95 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 12 F 7.67 4.23 0.00 3.06 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 13 R 8.34 4.06 0.00 1.83 1.92 0.00 3.13 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 14 L 7.97 3.95 0.00 1.87 1.63 0.94 0.61 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 15 K 8.07 4.02 0.00 2.00 1.95 0.00 1.50 0.00 0.00 1.50 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.43 7.81 16 L 8.01 4.23 0.00 1.73 1.81 1.11 0.76 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 17 E 8.65 4.04 0.00 2.19 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 2.37 2.53 0.00 18 T 8.16 3.91 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 19 Y 8.26 4.14 0.00 3.47 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 20 L 8.63 4.25 0.00 1.85 1.84 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.35 4.24 0.00 2.85 2.86 0.00 0.00 7.10 7.36 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 22 E 7.91 4.05 0.00 1.57 1.63 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 2.24 2.42 0.00 23 H 7.83 4.81 0.00 2.76 2.60 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.10 4.89 0.00 2.91 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 25 P 0.00 4.25 0.00 1.94 1.88 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.00 26 E 7.89 4.07 0.00 2.09 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 0.00 2.30 2.26 0.00 *28 S 8.12 4.44 0.00 4.26 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 29 G 8.00 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 30 N 7.81 4.63 0.00 2.80 2.85 0.00 0.00 6.74 6.71 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 31 N 8.46 4.31 0.00 2.89 2.82 0.00 0.00 7.07 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 32 P 0.00 4.26 0.00 2.35 2.13 0.00 3.86 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 2.15 2.18 0.00 33 F 8.69 4.20 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 34 I 7.90 3.44 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 0.90 0.00 0.00 35 T 8.20 3.77 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 1.18 0.00 0.00 36 A 7.79 3.88 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 37 R 8.08 3.57 0.00 0.80 1.17 0.00 3.25 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.37 0.00 38 S 8.07 4.00 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 39 D 8.12 4.34 0.00 2.86 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.09 3.86 0.00 2.02 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 2.26 2.48 0.00 41 A 7.80 3.56 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.73 4.02 0.00 1.92 1.87 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.95 3.88 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 1.19 0.00 0.00 44 A 7.89 3.91 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 45 Y 8.16 3.89 0.00 3.20 3.29 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 46 C 8.77 4.19 0.00 3.04 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 47 D 8.51 4.34 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 48 A 8.01 4.11 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 49 V 7.62 3.61 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 0.98 0.00 0.00 0.43 0.00 0.00 50 A 7.93 4.05 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 51 Q 7.59 4.33 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.96 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 52 G 7.60 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.97 4.45 0.00 3.12 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 54 S 9.43 4.50 0.00 4.05 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 55 H 8.79 4.18 0.00 3.36 3.45 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 56 P 0.00 4.22 0.00 2.23 2.11 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 57 E 8.02 3.97 0.00 2.23 2.06 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 2.42 2.40 0.00 58 A 8.13 3.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.67 4.52 0.00 2.33 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 2.51 2.51 0.00 60 S 8.07 4.38 0.00 4.06 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 *62 A 7.89 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.20 3.87 0.00 4.09 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 64 E 8.09 4.04 0.00 1.97 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 2.49 2.44 0.00 65 V 7.47 3.47 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 0.67 0.00 0.00 0.82 0.00 0.00 66 L 7.54 3.77 0.00 1.30 1.03 0.70 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.43 4.61 0.00 2.96 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 68 Q 7.22 4.02 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 69 G 9.81 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 0.00 0.00 0.00 70 L 8.15 4.75 0.00 1.95 1.80 1.14 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.02 4.50 0.00 3.42 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.37 4.57 0.00 3.28 3.12 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 73 S 7.15 4.17 0.00 3.01 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 74 R 8.30 3.67 0.00 1.53 0.94 0.00 2.22 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.53 0.00 75 Y 7.73 3.99 0.00 2.94 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 D 8.01 4.14 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.78 4.00 4.69 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 1.56 0.00 0.00 78 L 8.08 3.95 0.00 1.75 1.66 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.44 3.38 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.16 0.00 0.00 80 S 8.08 4.07 0.00 3.99 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 81 V 7.99 3.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.24 0.00 0.00 82 L 8.19 4.24 0.00 1.85 1.72 0.87 0.98 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 83 E 8.35 4.04 0.00 1.95 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 2.34 2.64 0.00 84 R 8.54 4.20 0.00 1.99 2.09 0.00 3.34 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 85 E 8.30 4.43 0.00 1.42 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 2.34 2.27 0.00 86 F 7.66 5.64 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.55 4.03 0.00 2.09 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 2.31 2.29 0.00 88 Q 8.14 4.17 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 89 E 8.20 4.33 0.00 2.21 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 2.46 2.44 0.00 90 L 8.22 5.09 0.00 1.55 1.54 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.52 0.00 2.22 2.28 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 92 S 8.54 4.29 0.00 3.85 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 93 P 0.00 4.79 0.00 2.38 2.36 0.00 3.51 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 2.05 2.16 0.00 94 L 7.81 3.95 0.00 1.85 1.76 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.19 0.00 2.12 2.07 0.00 3.54 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 96 E 8.07 4.07 0.00 1.98 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 0.00 2.33 2.41 0.00 97 R 7.68 4.17 0.00 1.75 1.99 0.00 3.16 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 98 L 8.47 4.19 0.00 1.78 1.66 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.97 3.95 1.16 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 0.00 100 P 0.00 4.30 0.00 2.08 2.17 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 101 I 7.69 3.94 2.00 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 1.64 0.91 0.91 0.00 0.00 102 L 8.26 4.01 0.00 1.83 1.74 0.83 0.42 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 0.00 103 L 8.13 4.04 0.00 1.86 1.89 0.82 0.94 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 0.00 104 K 7.59 4.38 0.00 1.96 1.84 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.55 7.81 105 N 7.95 4.65 0.00 2.72 2.90 0.00 0.00 7.15 7.23 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 0.00 106 K 8.84 4.02 0.00 1.81 1.86 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.46 7.81 107 A 8.06 4.00 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 0.00 108 I 8.24 3.64 2.22 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 1.10 0.00 0.00 109 Q 8.57 4.23 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 110 S 8.05 4.16 0.00 4.05 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 0.00 111 V 7.56 3.74 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 0.93 0.00 0.00 0.93 0.00 0.00 112 F 8.24 4.42 0.00 3.32 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 0.00 113 A 8.28 4.20 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 0.00 114 K 7.88 3.98 0.00 1.51 1.43 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.63 7.81 115 Y 7.27 4.59 0.00 2.83 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 0.00 116 D 8.42 4.54 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.76 3.55 0.00 1.56 1.20 0.96 -0.32 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 0.00 118 T 7.35 4.30 4.32 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 1.31 0.00 0.00 119 D 8.81 4.53 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.06 4.83 0.00 2.93 2.91 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 0.00 0.00 0.00 121 F 8.48 4.17 0.00 3.22 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 0.00 122 E 8.44 3.47 0.00 2.06 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 1.47 1.47 0.00 123 A 7.43 4.01 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 0.00 124 S 7.59 4.03 0.00 3.60 3.24 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 0.00 125 P 0.00 4.25 0.00 2.22 2.11 0.00 3.62 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 2.12 2.15 0.00 126 E 8.01 4.39 0.00 2.57 2.47 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 2.40 2.65 0.00 127 Y 7.11 3.87 0.00 2.83 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 0.00 128 E 7.75 3.76 0.00 1.92 1.87 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 2.45 2.42 0.00 129 H 7.97 4.21 0.00 3.61 3.53 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.60 3.48 0.00 0.83 1.56 0.44 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.72 3.77 0.00 2.56 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.11 3.95 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 1.24 0.00 0.00 133 E 8.22 3.93 0.00 2.24 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 0.00 2.31 2.37 0.00 134 L 8.17 3.82 0.00 1.53 1.47 0.53 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.84 4.09 4.33 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 1.13 0.00 0.00 136 G 8.19 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 0.00 137 T 7.98 3.83 4.32 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 1.16 0.00 0.00 138 I 7.80 3.51 1.66 0.00 0.00 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 1.18 0.65 -0.19 0.00 0.00 139 V 8.21 3.70 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 1.18 0.00 0.00 1.24 0.00 0.00 140 L 7.83 4.00 0.00 1.90 1.68 0.91 0.64 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 0.00 141 L 8.22 3.96 0.00 1.74 1.66 0.86 0.71 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 0.00 142 I 7.92 3.66 1.99 0.00 0.00 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 1.41 0.73 0.92 0.00 0.00 143 E 8.29 4.06 0.00 1.93 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 2.37 2.51 0.00 144 S 8.16 4.45 0.00 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 0.00 145 N 7.94 4.14 0.00 2.84 2.86 0.00 0.00 6.90 7.92 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 0.00 146 H 8.46 4.78 0.00 3.09 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.77 4.05 0.00 1.53 1.53 0.79 0.90 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 0.00 148 P 0.00 4.38 0.00 2.07 1.96 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 149 T 8.03 4.53 4.23 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 1.25 0.00 0.00 150 I 8.27 3.59 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 1.27 0.58 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.