NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2461 8.2644 123.5785 52.2648 19.4924 177.0167 6 Q 4.1429 9.0761 124.1762 54.6954 29.9791 172.7006 7 N 4.7551 7.9956 114.4693 54.9957 39.8134 174.1328 8 T 4.4349 7.5009 112.5508 61.3986 69.4232 173.1167 9 I 4.1577 7.7891 118.2909 60.2119 41.3669 173.0598 10 S 4.1050 8.1496 122.4933 57.2625 66.7305 172.9385 11 G 4.3689 6.9272 106.3079 44.6070 0.0000 173.1460 12 K 4.3923 8.9503 122.5262 56.3961 34.0942 176.1117 13 E 3.8369 7.6736 118.1623 52.5683 27.9632 176.9799 14 G 4.3295 9.3146 110.3727 44.9994 0.0000 171.0850 15 R 5.0602 8.7063 117.6403 54.0498 34.2471 174.5906 16 L 5.4075 8.0012 122.6265 54.1392 42.7990 175.6135 17 F 5.0362 9.7639 122.3652 55.6450 41.6679 174.3182 18 L 4.4529 9.1410 127.1550 54.2321 43.0564 175.8713 19 D 4.5917 9.5562 126.0773 55.1066 39.8842 173.3887 20 G 3.9046 8.3852 110.6427 45.2736 0.0000 174.9376 21 E 4.3424 8.8343 121.7266 54.8715 30.2293 176.1086 22 E 3.4976 8.3448 124.4668 55.3450 30.9303 175.2594 *24 A 3.8696 8.2122 121.4497 52.0976 20.0768 176.0495 25 H 4.8429 8.7219 120.9022 55.1805 28.3194 173.0785 26 I 3.7717 8.1882 123.1943 60.0815 38.8016 173.9683 27 K 4.8976 8.4429 135.0000 56.3341 34.0486 176.3094 28 T 4.0358 8.6433 111.8561 62.6354 68.4447 172.8994 29 F 5.3616 8.4042 120.8682 55.7212 42.3125 173.2154 30 E 4.3449 9.7877 121.9674 55.3968 32.6884 174.1577 31 A 5.1266 8.7630 131.2739 51.4718 22.1572 176.5857 32 N 4.8144 8.9865 112.3124 52.1397 41.7253 173.6934 33 V 3.9373 8.2943 115.5500 61.8428 32.3944 175.2849 34 E 4.0010 8.6710 127.4653 55.9513 30.1755 176.9956 35 K 4.3140 8.6941 129.0611 54.5835 31.1111 173.5961 36 N 4.9921 8.0720 121.1538 52.0772 42.3197 175.7854 37 K 3.4830 8.5771 123.8350 57.6601 30.7776 178.8437 38 S 4.3371 8.5103 113.2286 58.2313 60.6009 172.0923 39 E 4.5460 8.1518 122.2477 55.7730 30.9665 175.5573 40 V 3.1072 8.3974 122.4268 64.7404 30.5718 176.9939 41 N 4.8162 8.4325 121.3347 50.4368 39.3623 174.3013 42 I 3.8041 8.1887 120.2083 62.7548 37.6279 177.2341 *44 G 4.1912 8.3026 109.1398 45.4153 0.0000 174.6629 45 R 4.4525 7.2296 117.1363 53.5148 27.9347 176.8628 46 R 4.4730 7.4816 115.8035 58.5225 32.0146 175.1166 *48 T 4.0868 7.7322 110.9346 58.8716 67.3341 172.4557 49 G 4.3518 7.4129 113.4661 43.8579 0.0000 169.1031 50 H 4.6614 8.1968 121.1285 54.7962 30.5061 174.4810 51 K 4.4588 8.2408 124.5189 55.6130 35.4816 175.0792 52 T 3.9621 8.3406 112.5390 62.8840 67.4864 174.5218 53 T 4.5556 8.4751 120.3883 64.3372 67.9500 176.4440 54 G 4.0490 7.9196 115.9400 43.6822 0.0000 175.1427 55 A 4.1513 9.1449 125.5380 52.6798 16.0774 177.6516 56 N 4.5482 7.5950 116.2727 54.1822 37.0008 174.8277 57 G 3.7410 6.3787 105.9450 46.1148 0.0000 171.6900 58 T 4.7027 6.9242 115.1577 61.5356 71.8060 172.8403 59 G 3.8441 7.2575 106.0485 47.0809 0.0000 171.7487 60 T 4.8651 7.1817 111.3742 61.6038 71.3229 173.3938 61 A 5.1497 8.8946 125.9496 51.5243 23.7100 175.1942 62 T 5.3345 8.6395 109.6422 59.0600 71.6057 173.5903 63 F 4.4809 9.1959 123.1908 57.4753 39.9381 174.5427 64 Y 4.6593 8.6781 123.6316 58.7685 38.3136 175.3772 65 K 4.2410 7.5390 117.8176 54.5320 35.6175 175.7993 66 V 4.1797 7.7717 118.4441 60.5115 33.3938 175.4997 67 T 4.0430 8.4411 122.6047 61.6410 68.3315 174.2649 68 S 4.0782 8.8436 125.1806 62.1204 62.8739 176.5661 69 K 3.8428 8.2041 120.0177 59.8435 31.5596 178.2230 70 F 4.5078 7.7279 118.5030 61.9245 39.3728 176.8812 71 V 3.3251 7.5048 115.9131 66.2223 31.2832 177.0337 72 L 4.0907 8.0100 119.5772 57.5912 43.2676 178.1315 73 L 4.1364 8.2824 122.4854 55.6622 38.4886 176.4581 *76 D 4.5456 8.0222 122.1070 53.9296 43.7054 177.9159 77 Y 4.1658 7.8940 117.2285 60.9997 38.0596 178.3483 78 V 3.7880 7.8704 119.2163 64.4156 31.2116 178.0195 79 K 3.9638 8.0363 118.7989 59.3080 32.1342 178.5923 80 K 4.1789 7.7530 116.1648 56.9374 33.1375 176.5301 81 G 3.9749 8.1490 107.9693 47.0553 0.0000 173.4495 82 S 4.7099 8.1873 112.0893 56.5373 67.3372 173.8451 83 D 4.7673 8.3086 121.7940 51.7976 42.5812 174.9159 84 P 3.9126 0.0000 0.0000 62.2872 32.2316 175.2649 85 Y 4.9102 7.8346 116.8362 56.8619 38.6880 175.5775 86 F 4.9331 9.3902 123.9092 56.6245 42.0644 175.4762 87 T 4.8426 8.6550 117.0160 61.9632 70.7914 173.6203 88 L 4.5182 8.2577 130.2323 54.1884 43.2307 175.3221 89 Q 4.8547 9.4975 129.8569 54.6162 30.4318 173.8148 90 A 5.2237 8.5453 129.8368 49.9764 23.0369 173.9572 91 V 4.5168 7.7104 115.4382 60.9830 33.1894 176.0074 92 L 4.2730 8.7013 131.0981 54.7877 42.6135 176.6688 93 D 4.8735 8.2197 123.2771 52.5100 39.3060 175.8621 94 D 4.5764 7.8287 119.5302 54.3420 41.7632 176.2760 95 Q 3.9904 8.5877 128.5472 58.6643 29.4769 176.7559 96 S 4.0606 7.9873 111.8660 59.5514 62.6510 173.7637 97 S 3.6747 7.9343 113.5065 58.2879 60.9800 173.7566 98 G 3.8921 8.2604 108.3032 48.1779 0.0000 173.5305 99 R 4.5756 7.0666 116.7672 55.3680 34.8340 176.5695 100 G 3.9199 7.5474 112.7174 46.0358 0.0000 176.4196 101 T 4.4455 9.1244 122.4055 62.0653 71.7414 172.3941 102 E 5.6057 8.4759 124.8704 53.3707 33.9082 175.1684 103 R 4.6043 8.5788 121.4626 56.0409 31.8950 175.1402 104 V 5.0413 8.9604 125.5006 61.3005 34.3875 174.3468 105 T 4.9550 8.7016 117.6673 59.9063 71.8654 173.4043 106 L 4.5851 8.3798 122.9895 52.6885 43.9893 175.1352 107 Y 4.4843 8.3605 122.6729 58.5895 39.3378 176.4357 108 D 4.5088 9.0626 122.6365 54.9885 38.7974 174.0230 109 V 4.2235 7.3729 117.4326 62.4369 33.1851 175.3012 110 N 4.9714 8.4530 120.4772 53.4433 42.2223 173.9480 111 F 5.2771 8.7793 125.9006 56.1742 41.9550 174.3394 112 D 5.0325 8.7550 118.8141 53.6257 41.4364 176.2125 113 S 4.1063 9.4959 123.5594 62.0059 62.7677 176.5463 114 A 3.9972 7.9500 122.1373 55.7328 18.0486 179.4810 115 K 3.7456 7.6794 114.9507 59.9155 32.3018 179.2010 116 I 3.6401 8.3854 120.0610 64.0153 37.3113 178.0632 117 A 3.8675 7.8460 121.0698 55.1060 17.9251 178.7346 118 S 4.3247 7.9827 109.1711 59.5857 62.5347 175.3831 119 L 4.1630 7.8139 120.7921 57.1196 42.1504 176.9122 120 D 4.4398 7.3837 117.5480 52.6300 41.6643 173.1308 *127 E 4.2177 7.7386 118.0907 56.5730 31.0510 175.7343 128 E 4.2356 8.4374 116.6942 58.3704 30.0787 175.9233 129 E 4.6784 8.1668 117.6965 56.1746 29.6333 176.1606 130 V 4.4892 9.1037 126.1086 60.8111 33.5950 173.7580 131 P 5.1848 0.0000 0.0000 62.7515 32.1410 174.9261 132 F 4.9856 7.8212 113.8485 56.7909 40.4028 173.3558 133 T 4.7457 8.7779 109.5883 59.9710 71.0842 173.5263 134 F 5.2422 9.0187 120.5541 56.5174 39.4480 175.6794 135 E 4.5593 8.6992 117.8581 55.8207 30.6305 175.6348 136 D 5.3038 7.9362 117.1622 54.1392 44.4475 174.4609 137 F 5.3309 9.0369 119.0527 55.4074 41.3626 173.2501 138 D 3.7845 8.1952 116.0708 53.2086 44.8104 174.8647 139 V 5.3877 8.3353 121.4552 59.3158 31.5248 173.1501 140 P 4.3781 0.0000 0.0000 64.8949 31.9342 177.0522 141 E 4.9087 7.7118 115.4696 53.3550 34.4564 177.8552 142 K 4.3178 8.6005 123.8287 56.2010 30.3063 179.8586 143 L 4.4044 9.4109 125.0033 57.0310 45.1471 173.4742 144 S 3.6233 7.8689 116.5077 59.8533 60.0844 171.6295 145 D 4.4088 7.6031 122.6601 56.1568 41.4864 177.8376 146 T 3.4583 8.8150 118.1162 63.6053 66.2608 171.7797 147 F 4.6246 8.3908 129.6029 59.2038 40.4844 173.3888 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 5 A 8.26 4.25 1.17 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 0.00 0.00 6 Q 9.08 4.14 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.61 7.18 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 7 N 8.00 4.76 0.00 2.71 2.76 0.00 0.00 7.04 7.70 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 8 T 7.50 4.43 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 1.18 0.00 0.00 9 I 7.79 4.16 1.57 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.28 0.74 0.00 0.00 10 S 8.15 4.10 0.00 3.66 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 11 G 6.93 4.37 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 0.00 12 K 8.95 4.39 0.00 1.63 1.76 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.53 7.81 13 E 7.67 3.84 0.00 1.86 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 2.24 2.32 0.00 14 G 9.31 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 0.00 0.00 0.00 0.00 15 R 8.71 5.06 0.00 1.95 1.52 0.00 3.13 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 16 L 8.00 5.41 0.00 1.82 1.60 0.92 0.69 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 17 F 9.76 5.04 0.00 2.96 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 18 L 9.14 4.45 0.00 1.91 1.69 0.99 1.28 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 19 D 9.56 4.59 0.00 2.81 2.79 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 20 G 8.39 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 21 E 8.83 4.34 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 22 E 8.34 3.50 0.00 1.55 1.62 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 1.73 1.47 0.00 *24 A 8.21 3.87 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.72 4.84 0.00 3.45 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.19 3.77 1.20 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.40 0.72 0.00 0.00 27 K 8.44 4.90 0.00 1.92 1.58 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.40 7.81 28 T 8.64 4.04 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 1.24 0.00 0.00 29 F 8.40 5.36 0.00 3.37 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 30 E 9.79 4.34 0.00 1.79 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 2.10 2.10 0.00 31 A 8.76 5.13 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 32 N 8.99 4.81 0.00 2.80 2.72 0.00 0.00 7.44 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.29 3.94 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 0.64 0.00 0.00 0.88 0.00 0.00 34 E 8.67 4.00 0.00 1.95 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 2.30 2.23 0.00 35 K 8.69 4.31 0.00 1.90 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.41 7.81 36 N 8.07 4.99 0.00 2.85 2.63 0.00 0.00 7.37 6.68 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 37 K 8.58 3.48 0.00 1.91 1.61 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 38 S 8.51 4.34 0.00 3.98 3.91 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 39 E 8.15 4.55 0.00 1.87 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 2.14 2.29 0.00 40 V 8.40 3.11 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 0.75 0.00 0.00 0.94 0.00 0.00 41 N 8.43 4.82 0.00 2.74 2.72 0.00 0.00 6.89 7.82 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 42 I 8.19 3.80 1.93 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 1.38 0.67 0.99 0.00 0.00 *44 G 8.30 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 0.00 0.00 0.00 0.00 45 R 7.23 4.45 0.00 1.99 2.00 0.00 3.10 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 46 R 7.48 4.47 0.00 1.97 2.05 0.00 3.20 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.00 *48 T 7.73 4.09 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 1.28 0.00 0.00 49 G 7.41 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 0.00 0.00 0.00 0.00 50 H 8.20 4.66 0.00 3.08 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.24 4.46 0.00 1.85 1.91 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.45 7.81 52 T 8.34 3.96 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 1.33 0.00 0.00 53 T 8.48 4.56 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 1.27 0.00 0.00 54 G 7.92 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 0.00 0.00 0.00 55 A 9.14 4.15 1.80 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 56 N 7.60 4.55 0.00 2.95 2.90 0.00 0.00 6.77 6.84 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 57 G 6.38 3.74 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 0.00 0.00 0.00 58 T 6.92 4.70 4.18 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 1.16 0.00 0.00 59 G 7.26 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.18 4.87 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 1.26 0.00 0.00 61 A 8.89 5.15 1.53 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 0.00 0.00 62 T 8.64 5.33 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 1.34 0.00 0.00 63 F 9.20 4.48 0.00 2.86 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.68 4.66 0.00 2.88 3.39 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 65 K 7.54 4.24 0.00 1.46 0.74 0.00 1.33 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.77 1.13 7.81 66 V 7.77 4.18 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 0.83 0.00 0.00 0.85 0.00 0.00 67 T 8.44 4.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 68 S 8.84 4.08 0.00 3.89 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 69 K 8.20 3.84 0.00 1.86 1.95 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.55 7.81 70 F 7.73 4.51 0.00 2.94 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 71 V 7.50 3.33 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 0.73 0.00 0.00 0.97 0.00 0.00 72 L 8.01 4.09 0.00 1.61 1.96 0.89 1.32 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 73 L 8.28 4.14 0.00 1.86 1.77 1.20 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *76 D 8.02 4.55 0.00 2.89 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 77 Y 7.89 4.17 0.00 2.96 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 78 V 7.87 3.79 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 0.90 0.00 0.00 0.94 0.00 0.00 79 K 8.04 3.96 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.49 7.81 80 K 7.75 4.18 0.00 1.92 1.92 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.74 1.55 7.81 81 G 8.15 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.19 4.71 0.00 3.91 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 83 D 8.31 4.77 0.00 2.55 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 84 P 0.00 3.91 0.00 1.25 0.53 0.00 3.57 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.14 0.00 85 Y 7.83 4.91 0.00 2.85 2.94 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 86 F 9.39 4.93 0.00 3.01 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 87 T 8.66 4.84 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 1.32 0.00 0.00 88 L 8.26 4.52 0.00 1.41 1.14 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 9.50 4.85 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.27 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 90 A 8.55 5.22 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 91 V 7.71 4.52 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 0.91 0.00 0.00 0.93 0.00 0.00 92 L 8.70 4.27 0.00 1.77 1.62 0.95 1.13 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 93 D 8.22 4.87 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.83 4.58 0.00 2.67 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 95 Q 8.59 3.99 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 96 S 7.99 4.06 0.00 3.89 4.02 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 97 S 7.93 3.67 0.00 4.01 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 98 G 8.26 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 0.00 0.00 0.00 99 R 7.07 4.58 0.00 1.68 1.81 0.00 3.26 0.00 0.00 3.23 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 100 G 7.55 3.92 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 0.00 0.00 0.00 101 T 9.12 4.45 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 102 E 8.48 5.61 0.00 1.89 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 2.28 2.10 0.00 103 R 8.58 4.60 0.00 1.91 1.77 0.00 3.02 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 104 V 8.96 5.04 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 1.15 0.00 0.00 1.04 0.00 0.00 105 T 8.70 4.96 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 1.22 0.00 0.00 106 L 8.38 4.59 0.00 1.23 1.45 0.36 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.36 4.48 0.00 3.02 2.79 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 0.00 108 D 9.06 4.51 0.00 2.75 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 0.00 0.00 0.00 0.00 109 V 7.37 4.22 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 0.80 0.00 0.00 0.09 0.00 0.00 110 N 8.45 4.97 0.00 3.37 2.93 0.00 0.00 7.26 7.59 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 0.00 111 F 8.78 5.28 0.00 3.01 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 0.00 112 D 8.76 5.03 0.00 2.85 2.63 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 0.00 0.00 0.00 113 S 9.50 4.11 0.00 3.88 3.91 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 0.00 114 A 7.95 4.00 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 0.00 115 K 7.68 3.75 0.00 2.04 1.95 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.55 7.81 116 I 8.39 3.64 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.89 0.39 0.00 0.00 117 A 7.85 3.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.98 4.32 0.00 3.83 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 0.00 119 L 7.81 4.16 0.00 1.59 1.59 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.38 4.44 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 E 7.74 4.22 0.00 2.06 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 2.23 2.36 0.00 128 E 8.44 4.24 0.00 2.09 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 2.40 2.36 0.00 129 E 8.17 4.68 0.00 1.92 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 2.38 2.36 0.00 130 V 9.10 4.49 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.11 0.00 0.00 131 P 0.00 5.18 0.00 2.08 1.99 0.00 3.92 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 132 F 7.82 4.99 0.00 2.39 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 0.00 133 T 8.78 4.75 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 1.21 0.00 0.00 134 F 9.02 5.24 0.00 3.36 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.70 4.56 0.00 1.72 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 2.14 2.21 0.00 136 D 7.94 5.30 0.00 2.82 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 0.00 137 F 9.04 5.33 0.00 2.78 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 0.00 138 D 8.20 3.78 0.00 2.16 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 0.00 0.00 0.00 139 V 8.34 5.39 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 0.80 0.00 0.00 1.09 0.00 0.00 140 P 0.00 4.38 0.00 2.21 2.17 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 141 E 7.71 4.91 0.00 2.11 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 2.23 2.28 0.00 142 K 8.60 4.32 0.00 1.85 1.21 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.42 7.81 143 L 9.41 4.40 0.00 1.88 1.49 0.90 0.90 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 0.00 144 S 7.87 3.62 0.00 3.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 7.60 4.41 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.82 3.46 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 1.23 0.00 0.00 147 F 8.39 4.62 0.00 2.77 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.