NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3885 8.3044 120.3490 55.0638 33.7248 174.9087 2 N 4.3770 8.3294 123.0566 52.2610 39.8163 172.5275 3 E 4.0056 9.5317 126.0619 59.2105 30.8541 177.5435 4 L 4.1071 8.2784 117.2030 55.2407 42.1723 177.6600 5 V 3.6348 7.8171 122.8925 63.2966 31.5550 172.1767 6 D 4.5428 7.1805 121.7380 51.6890 43.4708 175.4230 7 T 3.8648 8.4152 124.1558 67.0873 68.5190 176.1774 8 T 3.7315 7.8177 116.7526 66.9248 68.3465 176.1875 9 E 4.0128 8.6451 120.1516 59.8319 29.4475 179.2845 10 M 4.1709 8.3984 118.9000 58.6681 32.0680 178.5232 11 Y 3.9749 8.5542 116.8792 61.0098 38.0632 178.3174 12 L 4.0590 8.3285 120.1921 58.1908 41.7741 179.8411 13 R 4.0647 8.5994 118.6347 59.5158 29.9502 178.7397 14 T 3.8952 8.3058 116.1681 66.4634 68.3798 176.6093 15 I 3.6565 8.0308 121.9926 64.5686 37.0994 177.4103 16 Y 3.9515 8.3665 120.6379 61.1358 38.5046 177.9588 17 D 4.4743 8.6152 119.7284 57.5523 40.8916 179.1523 18 L 3.9063 7.9256 119.0868 57.7176 41.6787 178.8530 19 E 3.7943 8.1569 119.3888 59.5653 29.2521 178.5988 20 E 3.8022 7.9456 117.7893 59.1012 29.7494 177.9609 21 E 4.2456 8.1522 116.5673 56.3052 29.7727 177.1048 22 G 3.8089 7.8741 107.2599 46.1250 0.0000 173.3384 23 V 4.3507 7.5955 118.9007 59.4109 33.2910 175.8010 24 T 3.8652 8.5551 120.8785 63.3874 69.1682 171.8279 25 P 4.3718 0.0000 0.0000 63.0281 32.4253 175.4675 26 L 5.1521 8.2669 124.0485 52.0588 45.3797 177.9607 27 R 3.9291 8.6549 119.4323 59.5849 29.8547 179.1978 28 A 4.0192 7.9744 120.0483 55.1890 18.3887 179.7490 29 R 3.8838 7.8993 116.2884 59.3136 30.0363 179.3459 30 I 3.5577 7.5961 119.0420 64.0380 37.2057 178.0018 31 A 3.9314 7.9639 121.6220 55.1990 17.8901 179.4964 32 E 3.8574 8.0313 116.8481 59.8569 29.3969 180.0295 33 R 3.9896 7.9012 116.3600 58.4778 30.2263 177.6007 34 L 4.3670 7.9749 115.0429 53.5530 42.6741 175.4675 35 D 4.3688 7.4950 116.1454 55.8746 39.7038 172.2214 36 Q 4.7726 7.7541 116.4618 53.4783 32.6376 176.9272 37 S 4.5231 8.3316 114.5591 57.9300 65.2291 175.6165 38 G 3.5819 8.4952 109.3718 47.7680 0.0000 174.3855 39 P 4.3688 0.0000 0.0000 65.1005 31.2736 178.9958 40 T 3.9086 7.6929 115.0613 66.7354 68.3265 177.1706 41 V 4.2747 7.5951 115.3016 64.2162 31.6919 178.7944 42 S 4.0350 8.1262 114.8940 61.7146 62.7471 176.9568 43 Q 4.0043 8.2513 120.6824 59.2151 28.5247 178.7994 44 T 3.7507 8.0628 116.7970 66.6652 68.5158 176.8081 45 V 3.6953 8.7009 120.8006 66.2426 31.3282 178.2699 46 S 4.1473 7.9031 114.4015 61.5661 62.6509 176.8439 47 R 3.8978 7.8729 120.3600 59.6009 29.7593 179.0749 48 M 4.0989 8.1432 118.3570 58.1159 31.7623 178.3934 49 E 4.4361 8.0277 120.9190 58.3088 29.6703 178.3399 50 R 3.9386 8.0910 118.2672 59.1667 30.0924 177.1995 51 D 4.8282 7.7789 115.7231 53.6495 41.0558 177.1446 52 G 3.9329 7.7514 106.8753 45.9028 0.0000 174.7175 53 L 4.4939 8.1750 121.7816 56.0970 43.3274 176.0756 54 L 5.0754 7.5039 117.4830 55.4863 43.5035 173.2981 55 R 4.9572 8.5907 114.1579 54.7904 33.2533 174.4295 56 V 4.4832 8.5527 121.1634 61.4998 32.0978 175.8753 57 A 4.2369 9.2280 131.9733 51.7877 19.0115 178.3078 58 G 3.5719 8.6128 108.6758 48.5172 0.0000 174.3586 59 D 4.5708 7.9398 117.0159 53.0519 39.4770 177.1213 60 R 4.0832 8.1192 116.7885 56.9711 28.4366 176.0638 61 H 4.6084 7.6827 115.7688 55.9565 29.9651 174.6306 62 L 4.8398 8.5186 123.2502 54.0797 42.4771 176.1572 63 E 4.6010 9.0011 125.3359 54.2639 31.3269 175.8489 64 L 4.7061 8.5393 125.8400 54.9162 42.4842 177.5717 65 T 4.2101 8.4600 113.7480 60.9865 70.5570 175.3482 66 E 3.9019 8.9067 121.7180 59.4173 29.5191 178.5809 67 K 4.0778 8.1124 119.2552 59.4010 32.3236 178.8386 68 G 3.6213 8.1610 106.0940 47.9020 0.0000 175.7220 69 R 4.0369 8.4439 121.1699 58.6898 30.0432 178.5110 70 A 3.9947 7.9593 120.6215 55.0086 18.5340 179.3366 71 L 3.8892 7.9867 118.7156 58.0683 42.2622 178.9029 72 A 3.9944 8.1576 120.7104 55.4265 18.4208 179.5241 73 I 3.3867 8.1723 118.3685 64.6106 37.0693 178.5921 74 A 4.0157 7.9571 121.3717 54.8504 18.0832 179.8760 75 V 3.5702 7.6390 116.7508 66.1897 31.6289 177.9977 76 M 3.9837 7.6711 117.5180 58.2570 31.8688 178.1203 77 R 3.8454 7.9362 119.0138 59.3955 30.2030 178.6477 78 K 3.9554 7.7452 118.3085 59.6117 32.1714 178.5589 79 H 4.0442 8.5568 118.8963 59.7291 29.9050 177.4762 80 R 4.0895 8.4432 119.7646 58.8069 29.8692 179.0503 81 L 4.0121 8.2391 119.0843 57.6977 41.6371 179.2197 82 A 4.0793 8.3307 120.9442 55.2544 18.1681 179.6040 83 E 3.8624 7.9824 116.8567 59.3460 29.5351 179.7203 84 R 3.8150 7.8368 117.7376 59.1132 30.2189 178.6119 85 L 3.9276 8.0128 120.1548 58.4818 42.0348 179.1930 86 L 3.9371 7.9569 118.3502 56.7020 40.8294 179.0952 87 V 3.8094 7.3338 117.3883 65.1332 31.9985 177.6626 88 D 4.3992 8.4020 117.4531 56.3536 40.6513 176.9572 89 V 4.1869 7.4324 115.6053 64.5835 33.2239 176.7763 90 I 3.8368 7.7349 119.1974 62.4017 37.0620 176.9919 91 G 3.7853 7.4793 103.9284 45.9366 0.0000 173.2660 92 L 4.0283 7.7933 121.4161 53.5867 42.8363 174.9825 93 P 4.2799 0.0000 0.0000 62.5797 31.8527 177.0865 *94 W 4.0746 8.6831 131.4076 60.2404 30.3228 177.0783 95 E 4.1808 8.1963 114.8782 58.1337 29.4397 177.0483 96 E 4.6231 8.1726 117.7634 56.1430 30.6896 178.1515 97 V 3.5611 7.8376 114.3899 64.5151 31.7122 177.6061 98 H 3.9988 8.2813 117.2604 59.1597 29.3388 176.6427 99 A 3.9780 8.0798 122.0236 55.3365 18.1455 179.1378 100 E 3.8012 7.8130 117.3549 59.4112 29.6607 178.8753 101 A 3.8630 8.4270 121.2195 55.1145 18.0683 179.1205 102 C 4.1918 8.1613 116.9751 62.3283 31.6700 175.3295 103 R 4.4432 7.6413 119.7241 58.1593 30.0205 178.8392 104 W 4.1670 8.4606 119.2997 59.6003 28.8841 178.0978 105 E 3.9309 8.3504 116.9278 59.6604 28.6923 178.2824 106 H 5.0068 7.6383 116.1613 55.6043 29.3716 175.9039 107 V 4.3221 7.7580 112.0758 61.0968 33.5251 176.0422 108 M 4.1065 7.9438 120.3958 55.1136 32.4975 176.8786 109 S 4.5716 8.3295 118.4857 57.5287 66.1081 175.2254 110 E 3.9998 8.5192 121.5891 59.3630 29.1895 179.0703 111 D 4.3365 8.1234 118.6440 57.4878 40.9339 178.8445 112 V 3.5285 7.6599 118.2295 66.1708 31.6549 177.4836 113 E 3.9499 8.1355 118.1688 59.9651 28.8575 179.9281 114 R 3.9832 8.5185 117.9280 59.3192 30.0802 179.3709 115 R 4.0564 8.0143 117.6792 58.7524 29.9177 178.8310 116 L 4.1184 7.8379 119.0566 57.1604 41.7235 179.3096 117 V 3.5991 7.6913 118.0640 65.9911 31.4102 178.0138 118 K 3.9661 7.7798 117.3370 59.4841 31.7465 179.3393 119 V 3.6276 7.8724 118.1289 65.7652 31.5299 177.2581 120 L 4.4063 8.0032 115.9754 53.3499 43.0730 175.5793 121 N 3.9227 7.5432 117.5263 56.5669 35.5956 174.9475 122 N 4.0176 8.5607 113.9999 53.9230 36.1895 172.6629 123 P 4.5721 0.0000 0.0000 62.6239 32.9122 177.3282 124 T 4.6335 8.3713 107.2596 61.1063 70.2225 173.2929 125 T 5.0643 7.5054 110.7850 59.5163 72.2097 173.4177 126 S 4.3796 9.5571 117.8697 57.4011 63.0120 173.4236 127 P 4.1326 0.0000 0.0000 65.1703 30.9912 177.4074 128 F 4.5267 8.1349 114.9745 57.2210 39.0559 176.1785 129 G 4.1170 8.0757 110.2075 45.2635 0.0000 174.2939 130 N 4.7404 8.1088 117.6924 52.2632 39.6721 173.1344 131 P 4.5427 0.0000 0.0000 63.0676 32.4908 175.9770 132 I 4.2986 8.2623 123.9530 59.8181 37.3948 174.3462 133 P 4.4839 0.0000 0.0000 63.0646 31.6938 176.5813 134 G 4.0100 8.7783 105.3098 45.9180 0.0000 175.5590 135 L 3.9695 7.8684 120.7799 57.6152 41.1395 179.0689 136 V 3.7890 7.8509 117.8801 66.1789 31.3259 177.3951 137 E 4.2057 7.6298 112.3664 57.6726 29.2383 178.5048 138 L 4.0698 7.6092 122.0883 58.7873 42.3155 176.3953 139 G 3.2445 6.3229 108.3631 45.2343 0.0000 173.3652 140 V 3.9259 7.5929 126.5556 62.5356 31.6096 175.2999 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 M 8.30 4.39 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.33 4.38 0.00 2.83 2.69 0.00 0.00 6.74 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.53 4.01 0.00 1.96 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 0.00 2.31 2.42 0.00 4 L 8.28 4.11 0.00 1.83 1.72 1.05 0.84 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 5 V 7.82 3.63 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 0.71 0.00 0.00 0.99 0.00 0.00 6 D 7.18 4.54 0.00 2.70 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.42 3.86 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 0.87 0.00 0.00 8 T 7.82 3.73 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 9 E 8.65 4.01 0.00 2.27 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 2.37 2.53 0.00 10 M 8.40 4.17 0.00 2.12 2.45 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.92 0.00 11 Y 8.55 3.97 0.00 3.19 3.05 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 12 L 8.33 4.06 0.00 1.93 1.80 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.60 4.06 0.00 1.98 1.96 0.00 3.41 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 14 T 8.31 3.90 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 1.14 0.00 0.00 15 I 8.03 3.66 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.93 0.00 0.00 16 Y 8.37 3.95 0.00 3.09 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 17 D 8.62 4.47 0.00 2.91 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 18 L 7.93 3.91 0.00 1.84 1.84 0.91 0.69 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 19 E 8.16 3.79 0.00 2.10 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 20 E 7.95 3.80 0.00 1.77 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 2.32 2.32 0.00 21 E 8.15 4.25 0.00 2.06 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 2.31 2.51 0.00 22 G 7.87 3.81 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 0.00 0.00 0.00 23 V 7.60 4.35 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 0.75 0.00 0.00 0.90 0.00 0.00 24 T 8.56 3.87 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 25 P 0.00 4.37 0.00 2.10 2.20 0.00 3.53 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 26 L 8.27 5.15 0.00 1.67 1.56 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.65 3.93 0.00 1.86 2.01 0.00 3.17 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 28 A 7.97 4.02 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 29 R 7.90 3.88 0.00 1.95 1.94 0.00 3.27 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 30 I 7.60 3.56 1.79 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 1.39 0.68 0.14 0.00 0.00 31 A 7.96 3.93 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 32 E 8.03 3.86 0.00 2.20 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 2.52 0.00 33 R 7.90 3.99 0.00 1.94 1.94 0.00 3.27 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 34 L 7.97 4.37 0.00 1.56 1.69 0.74 1.15 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 35 D 7.49 4.37 0.00 2.80 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 36 Q 7.75 4.77 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 37 S 8.33 4.52 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.18 2.12 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 40 T 7.69 3.91 4.44 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 1.27 0.00 0.00 41 V 7.60 4.27 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 1.33 0.00 0.00 1.06 0.00 0.00 42 S 8.13 4.03 0.00 3.91 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 43 Q 8.25 4.00 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 44 T 8.06 3.75 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 45 V 8.70 3.70 2.23 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 1.09 0.00 0.00 1.19 0.00 0.00 46 S 7.90 4.15 0.00 4.14 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 47 R 7.87 3.90 0.00 2.00 1.93 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 48 M 8.14 4.10 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 49 E 8.03 4.44 0.00 2.19 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 2.31 2.38 0.00 50 R 8.09 3.94 0.00 1.95 2.18 0.00 3.29 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 51 D 7.78 4.83 0.00 2.77 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 52 G 7.75 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 0.00 0.00 0.00 53 L 8.18 4.49 0.00 1.80 1.74 0.92 0.39 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 54 L 7.50 5.08 0.00 1.87 1.78 0.96 0.59 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 55 R 8.59 4.96 0.00 2.01 2.02 0.00 2.77 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 56 V 8.55 4.48 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 0.76 0.00 0.00 1.02 0.00 0.00 57 A 9.23 4.24 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 58 G 8.61 3.57 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 0.00 0.00 0.00 59 D 7.94 4.57 0.00 2.69 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 60 R 8.12 4.08 0.00 2.00 2.17 0.00 3.17 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 61 H 7.68 4.61 0.00 3.23 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.52 4.84 0.00 1.56 1.66 0.93 0.70 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 63 E 9.00 4.60 0.00 1.91 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 2.29 0.00 64 L 8.54 4.71 0.00 1.56 1.65 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.46 4.21 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 1.29 0.00 0.00 66 E 8.91 3.90 0.00 2.07 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 2.40 2.39 0.00 67 K 8.11 4.08 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.52 7.81 68 G 8.16 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 69 R 8.44 4.04 0.00 1.93 1.98 0.00 3.14 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 70 A 7.96 3.99 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 71 L 7.99 3.89 0.00 1.91 1.70 0.94 1.39 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 72 A 8.16 3.99 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 3.39 2.09 0.00 0.00 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 1.62 1.14 0.91 0.00 0.00 74 A 7.96 4.02 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 75 V 7.64 3.57 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 1.00 0.00 0.00 1.02 0.00 0.00 76 M 7.67 3.98 0.00 1.63 1.46 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 77 R 7.94 3.85 0.00 2.10 2.05 0.00 3.15 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 78 K 7.75 3.96 0.00 1.97 1.88 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.73 7.81 79 H 8.56 4.04 0.00 3.44 3.48 0.00 5.77 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 80 R 8.44 4.09 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 81 L 8.24 4.01 0.00 1.78 1.75 0.96 0.62 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 82 A 8.33 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.86 0.00 2.25 2.04 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 2.31 2.41 0.00 84 R 7.84 3.81 0.00 2.02 1.96 0.00 3.38 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 85 L 8.01 3.93 0.00 1.80 1.87 0.98 0.90 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 86 L 7.96 3.94 0.00 1.58 1.50 0.27 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.33 3.81 2.04 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 0.93 0.00 0.00 0.79 0.00 0.00 88 D 8.40 4.40 0.00 2.76 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 89 V 7.43 4.19 2.25 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 0.85 0.00 0.00 0.94 0.00 0.00 90 I 7.73 3.84 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.92 0.00 0.00 91 G 7.48 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 92 L 7.79 4.03 0.00 1.51 1.50 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.28 0.00 2.39 1.98 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 *94 W 8.68 4.07 0.00 2.70 2.38 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 95 E 8.20 4.18 0.00 2.13 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 0.00 2.28 2.34 0.00 96 E 8.17 4.62 0.00 2.02 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 2.21 2.24 0.00 97 V 7.84 3.56 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 0.94 0.00 0.00 1.16 0.00 0.00 98 H 8.28 4.00 0.00 3.18 3.27 0.00 5.89 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 99 A 8.08 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 0.00 100 E 7.81 3.80 0.00 1.86 1.72 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 1.48 1.47 0.00 101 A 8.43 3.86 1.13 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 0.00 0.00 102 C 8.16 4.19 0.00 3.02 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 0.00 103 R 7.64 4.44 0.00 2.39 2.13 0.00 3.26 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 104 W 8.46 4.17 0.00 3.46 3.28 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 0.00 105 E 8.35 3.93 0.00 2.19 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 0.00 2.27 1.75 0.00 106 H 7.64 5.01 0.00 3.27 3.39 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.76 4.32 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 0.68 0.00 0.00 0.82 0.00 0.00 108 M 7.94 4.11 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 109 S 8.33 4.57 0.00 4.03 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 0.00 110 E 8.52 4.00 0.00 2.03 2.04 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 2.40 2.40 0.00 111 D 8.12 4.34 0.00 2.70 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 0.00 112 V 7.66 3.53 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 1.04 0.00 0.00 0.90 0.00 0.00 113 E 8.14 3.95 0.00 2.29 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 2.36 2.64 0.00 114 R 8.52 3.98 0.00 1.94 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 115 R 8.01 4.06 0.00 2.03 1.98 0.00 3.28 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 116 L 7.84 4.12 0.00 1.93 1.73 0.98 0.82 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 0.00 117 V 7.69 3.60 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 1.04 0.00 0.00 0.97 0.00 0.00 118 K 7.78 3.97 0.00 2.00 1.82 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.59 7.81 119 V 7.87 3.63 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 0.84 0.00 0.00 1.01 0.00 0.00 120 L 8.00 4.41 0.00 1.74 1.67 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.54 3.92 0.00 2.89 2.89 0.00 0.00 7.13 7.62 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 0.00 122 N 8.56 4.02 0.00 2.80 3.05 0.00 0.00 6.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.57 0.00 2.18 2.04 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 124 T 8.37 4.63 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 1.22 0.00 0.00 125 T 7.51 5.06 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 1.23 0.00 0.00 126 S 9.56 4.38 0.00 3.81 4.03 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 0.00 127 P 0.00 4.13 0.00 1.26 1.77 0.00 3.73 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 1.93 1.98 0.00 128 F 8.13 4.53 0.00 3.17 3.07 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 0.00 129 G 8.08 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 0.00 130 N 8.11 4.74 0.00 2.83 2.82 0.00 0.00 6.92 8.03 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 0.00 131 P 0.00 4.54 0.00 2.12 2.09 0.00 3.81 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 2.05 2.04 0.00 132 I 8.26 4.30 1.89 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 1.31 0.52 0.92 0.00 0.00 133 P 0.00 4.48 0.00 2.22 2.17 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 134 G 8.78 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 0.00 135 L 7.87 3.97 0.00 1.71 1.74 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.85 3.79 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 1.10 0.00 0.00 0.94 0.00 0.00 137 E 7.63 4.21 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 138 L 7.61 4.07 0.00 1.90 1.81 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 139 G 6.32 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 0.00 0.00 0.00 140 V 7.59 3.93 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.