NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 3.8970 0.0000 0.0000 62.6779 31.5736 176.6648 6 A 3.9493 7.8502 120.8025 53.2744 18.9344 176.3252 7 G 4.4082 7.4395 105.7572 47.1494 0.0000 169.7444 8 R 4.4694 7.1435 118.4044 55.7211 34.3649 173.4499 *10 P 4.5527 0.0000 0.0000 62.5249 32.7665 177.9361 11 L 3.8592 8.6182 122.4048 58.3499 41.4409 180.0574 12 T 3.7655 7.8446 109.0764 64.6346 68.5030 176.4621 13 V 3.5617 7.4958 120.4104 65.7841 31.7713 177.3805 14 H 4.1565 8.2939 116.0643 58.9199 28.5713 177.5980 15 R 3.5637 7.9652 120.3286 59.4061 29.8654 178.2960 16 N 3.6041 7.4847 115.7585 55.9900 38.2910 177.6017 17 V 3.7364 7.5436 119.7607 65.8339 31.6640 178.0770 18 G 3.3863 7.7532 107.2307 46.9808 0.0000 175.6085 19 R 3.7748 7.3801 120.8294 58.8311 30.1027 178.6083 20 W 4.4201 7.8577 118.7632 59.8918 28.9984 178.4566 21 L 4.0670 8.3288 119.0849 57.9618 40.9912 179.5614 22 S 4.1302 8.2389 113.0000 61.3871 62.0717 176.0287 23 E 3.9937 8.3089 120.6168 59.4365 29.5052 179.1450 24 I 3.8688 7.8329 119.7765 64.3306 37.2147 178.0833 25 L 3.9659 8.1821 121.3373 58.7495 41.6546 178.7940 26 H 4.1243 8.5518 114.8600 58.2616 28.6853 176.7456 27 A 4.5345 7.7876 120.7647 52.6272 19.2638 177.8090 28 S 4.6704 7.8309 109.8398 57.6054 64.7092 175.4970 29 I 3.6334 8.1073 122.6127 64.4728 37.4822 176.4952 30 R 4.3395 8.1973 116.2737 56.3562 30.2565 177.0680 31 D 4.7526 8.1480 121.2391 53.0001 40.5940 176.7831 32 T 4.2762 7.6573 117.7274 63.6482 67.5760 176.7546 33 G 3.6187 8.0103 109.9181 46.8319 0.0000 175.7074 34 V 3.6167 7.6359 120.1321 65.7809 31.7807 178.1737 35 S 4.1710 8.4120 114.6806 61.4235 62.7741 176.4750 36 S 4.2907 8.3868 118.0826 61.2877 62.6915 176.8545 37 R 3.9544 7.5334 120.9003 59.0782 29.8311 178.9703 38 I 3.7577 7.9298 119.6260 64.5386 37.0175 178.3322 39 E 4.0116 8.5849 119.6898 59.3002 29.2890 179.1484 40 F 4.1593 8.3428 120.6999 61.3338 39.4582 177.4055 41 V 3.0974 7.9074 117.7906 65.6768 31.2552 177.9271 42 R 3.5966 8.1698 118.8460 59.3512 30.0314 178.4247 43 R 3.8271 7.9957 118.6450 59.6214 29.9755 178.4845 44 T 3.4201 7.3031 115.3385 66.6166 68.3270 176.6868 45 L 3.3185 7.1075 120.6152 57.4744 41.3558 178.8593 46 H 4.1791 7.7298 118.6236 59.1217 29.5604 177.5442 47 G 3.6583 7.9462 107.1216 47.6610 0.0000 175.5599 48 W 4.6249 8.3708 122.6463 59.5452 29.0821 178.9796 49 V 3.8316 8.4542 119.4117 65.0241 30.4901 178.3484 50 R 3.6376 7.5462 117.9400 59.0806 29.8877 178.0752 51 E 4.1156 7.7629 117.9148 59.2570 29.5584 178.7741 52 E 3.9653 8.3503 117.9830 57.4806 30.0258 176.7480 53 Y 4.7885 7.3925 115.8561 55.3733 41.3033 175.5642 54 S 4.4576 8.8361 118.6831 57.9540 65.2423 175.2290 55 E 4.4347 8.5358 123.5807 58.9014 29.0538 179.1480 56 T 3.8981 7.7554 114.8689 66.8115 68.7870 176.0867 57 E 4.4355 8.2413 119.1398 57.8555 29.7771 176.8396 58 L 4.5526 8.5464 121.0498 51.5225 43.0951 173.5836 59 P 4.8256 0.0000 0.0000 61.0499 33.4246 176.0916 60 N 4.3743 9.5107 119.5546 57.3119 38.5939 176.8832 61 A 4.0017 8.1282 119.8435 55.4331 18.4904 179.3966 62 V 3.6921 7.7456 115.8387 66.1148 31.9030 177.0605 63 Y 4.3743 8.3470 119.8523 61.1780 38.3459 178.7094 64 R 3.7484 8.1575 116.9734 58.5444 30.1687 177.2336 65 N 5.0998 7.8635 112.9714 52.7735 39.6241 176.2346 66 L 3.6592 8.0894 122.0779 58.2583 42.1388 178.0696 67 Y 3.9976 7.6914 111.9045 57.9029 38.8289 175.4506 68 F 4.9260 7.0605 118.1782 55.7149 39.4516 173.0444 69 P 4.4266 0.0000 0.0000 62.4706 32.5096 176.6421 70 V 4.1158 7.9908 119.4237 61.2742 31.6024 175.6532 71 L 4.2181 8.3494 130.0719 54.6717 42.3867 177.6526 72 D 4.3975 8.3412 120.1510 52.7278 40.3803 176.4659 73 A 4.1401 8.5325 125.4438 53.7472 17.6631 178.0718 74 Q 4.5139 8.2913 117.9572 55.9389 31.2012 173.1623 *77 H 4.8137 7.8176 112.8195 56.9376 29.2777 172.5007 78 A 4.7372 8.6946 128.9816 51.7092 20.6021 176.8805 79 G 4.0505 8.4036 108.7688 45.3881 0.0000 175.6019 80 S 4.1007 8.0020 114.3485 59.3303 63.5773 175.5402 81 G 3.9788 7.9861 109.6232 45.2083 0.0000 172.8963 82 K 4.9659 7.5469 117.5537 54.2755 35.1710 175.9828 83 I 4.1311 9.2112 123.9271 60.9586 36.9459 175.8107 84 E 4.6968 8.7841 123.6158 55.5521 31.5972 176.4545 85 T 4.7672 7.4096 109.0185 59.0105 73.2515 174.6129 86 I 3.6972 8.2340 123.0795 64.5859 37.2231 178.4714 87 S 4.0753 8.1033 113.4698 61.5860 62.0821 176.0368 88 E 3.9557 8.2139 121.0319 59.5143 29.1238 178.8964 89 C 4.0337 8.0853 116.7289 63.1393 28.3752 176.0014 90 D 4.3203 8.2616 120.2980 57.3559 40.5258 178.9771 91 R 3.8584 8.0616 119.0465 59.4803 30.0524 178.6118 92 L 3.9888 8.1696 119.1078 57.5472 41.5998 179.2535 93 K 3.8417 8.2888 119.8760 59.7657 32.0549 178.6164 94 N 4.3200 8.0415 116.1675 55.9952 38.4006 177.5219 95 L 3.5878 7.6933 120.1881 57.5968 41.6232 179.5933 96 V 3.5611 7.9657 118.5018 65.9245 31.3525 178.0296 97 R 3.7977 7.9346 118.4117 59.3367 29.8857 178.0959 98 N 3.8709 7.8254 116.2769 56.1371 38.3641 177.4621 99 V 3.7772 7.4500 119.2637 66.3772 31.6209 177.9101 100 T 3.9203 8.1076 115.7156 67.0391 68.3822 176.1771 101 D 4.3828 8.2734 120.5998 57.6974 40.8469 179.0768 102 T 4.0019 8.0442 116.2063 66.7222 68.5042 176.7702 103 L 4.3409 8.2295 120.9171 57.8616 41.4613 179.6699 104 V 3.7034 7.9336 117.3960 66.1490 31.5258 177.6696 105 E 4.1325 8.2883 117.4024 58.9425 29.1463 178.2209 106 N 4.5572 8.2897 115.0755 52.7434 39.4305 174.4034 107 Y 4.8813 7.3741 117.3520 55.0008 41.3054 173.7720 108 P 4.5207 0.0000 0.0000 62.1440 32.2856 175.9282 109 Q 4.0404 8.7179 120.9814 55.6969 29.6614 175.8318 110 G 4.0160 8.0219 112.4817 44.4982 0.0000 173.4716 111 L 4.0736 7.8317 118.4015 57.5620 39.8302 179.7583 112 E 4.0942 8.1311 118.5243 59.5953 29.5090 179.3576 113 S 4.6942 8.1420 113.7549 61.1547 63.2955 175.6632 114 E 3.9251 8.4893 122.9334 59.1849 29.3053 178.5183 115 A 4.0989 8.1166 120.6671 55.4092 18.3702 179.7007 116 L 4.0638 7.5498 116.6323 57.9398 41.6540 179.6747 117 L 4.0367 8.2705 119.1860 57.7807 41.5297 179.6658 118 I 3.6811 8.2794 119.8891 64.3853 37.1212 178.2554 119 A 4.0206 8.0508 121.5257 55.2782 18.2041 179.6942 120 L 3.9813 8.3520 117.8071 57.9356 41.5961 179.1680 121 D 4.4389 8.4551 118.2988 57.2943 41.1353 178.4729 122 G 3.6379 8.5930 106.6907 47.7543 0.0000 175.6680 123 V 3.6173 7.7941 120.4488 65.8634 31.5311 178.2538 124 K 3.9330 7.9747 118.1014 59.3890 31.8838 179.1467 125 L 3.9848 8.2322 119.5401 57.9700 41.4899 179.5112 126 E 3.9759 8.2773 118.2489 59.4019 29.3965 179.3009 127 L 4.0654 8.2081 119.0059 57.8400 41.7042 179.5287 128 A 3.9996 8.1539 120.6149 55.0205 18.3167 179.6848 129 R 3.8278 8.0598 117.1532 59.6374 30.2223 178.6659 130 I 3.6808 8.1354 120.0112 64.4664 37.0674 178.3318 131 R 3.8750 8.3949 119.7819 59.3678 29.6952 178.4202 132 K 3.9245 7.9375 118.1795 59.4102 32.2348 177.8651 133 D 4.6605 7.8940 117.3545 57.5493 41.5049 178.0293 134 I 4.1208 7.8177 120.1997 64.4084 36.8656 178.3698 135 E 3.9321 8.0506 114.5615 58.1115 29.3224 177.5900 *137 Y 4.5629 7.8538 117.6415 56.8616 40.0535 175.5685 138 G 3.7966 8.4746 108.2466 44.6516 0.0000 173.8653 139 D 4.5691 8.5062 117.0132 53.6419 39.7365 172.0274 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 P 0.00 3.90 0.00 1.01 0.49 0.00 3.31 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 1.10 0.44 0.00 6 A 7.85 3.95 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 7 G 7.44 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 0.00 0.00 0.00 0.00 8 R 7.14 4.47 0.00 1.76 1.73 0.00 3.17 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 *10 P 0.00 4.55 0.00 2.15 2.03 0.00 3.94 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 2.02 2.00 0.00 11 L 8.62 3.86 0.00 1.51 1.54 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.84 3.77 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 1.17 0.00 0.00 13 V 7.50 3.56 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 1.16 0.00 0.00 0.93 0.00 0.00 14 H 8.29 4.16 0.00 3.35 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.97 3.56 0.00 1.78 1.90 0.00 2.97 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 16 N 7.48 3.60 0.00 2.13 1.42 0.00 0.00 6.70 8.88 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 17 V 7.54 3.74 2.29 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 1.38 0.00 0.00 1.17 0.00 0.00 18 G 7.75 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 0.00 0.00 0.00 19 R 7.38 3.77 0.00 1.66 1.67 0.00 3.03 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 W 7.86 4.42 0.00 3.64 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 21 L 8.33 4.07 0.00 1.74 1.76 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.24 4.13 0.00 3.96 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 23 E 8.31 3.99 0.00 2.25 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 2.38 2.63 0.00 24 I 7.83 3.87 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.93 0.00 0.00 25 L 8.18 3.97 0.00 1.89 1.87 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.55 4.12 0.00 3.29 3.41 0.00 5.89 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 27 A 7.79 4.53 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 28 S 7.83 4.67 0.00 3.97 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 29 I 8.11 3.63 1.97 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 1.41 0.69 0.91 0.00 0.00 30 R 8.20 4.34 0.00 1.86 1.94 0.00 3.19 0.00 0.00 3.49 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 31 D 8.15 4.75 0.00 2.81 2.62 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 32 T 7.66 4.28 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 33 G 8.01 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 34 V 7.64 3.62 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 1.10 0.00 0.00 0.94 0.00 0.00 35 S 8.41 4.17 0.00 4.08 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 36 S 8.39 4.29 0.00 4.06 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 37 R 7.53 3.95 0.00 2.11 2.06 0.00 3.26 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 38 I 7.93 3.76 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.93 0.97 0.00 0.00 39 E 8.58 4.01 0.00 2.24 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 2.39 2.46 0.00 40 F 8.34 4.16 0.00 3.09 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 41 V 7.91 3.10 2.15 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 0.80 0.00 0.00 1.07 0.00 0.00 42 R 8.17 3.60 0.00 1.87 2.00 0.00 2.86 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.35 0.00 43 R 8.00 3.83 0.00 2.00 1.88 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 44 T 7.30 3.42 3.49 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 0.11 0.00 0.00 45 L 7.11 3.32 0.00 0.49 0.94 0.83 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.73 4.18 0.00 3.13 3.47 0.00 5.78 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 47 G 7.95 3.66 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 0.00 0.00 0.00 48 W 8.37 4.62 0.00 3.49 3.42 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 49 V 8.45 3.83 2.16 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 1.25 0.00 0.00 0.95 0.00 0.00 50 R 7.55 3.64 0.00 1.34 2.07 0.00 2.21 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 51 E 7.76 4.12 0.00 2.11 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 2.34 2.55 0.00 52 E 8.35 3.97 0.00 2.20 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 2.38 2.74 0.00 53 Y 7.39 4.79 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 54 S 8.84 4.46 0.00 4.07 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 55 E 8.54 4.43 0.00 2.08 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 2.38 2.33 0.00 56 T 7.76 3.90 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 57 E 8.24 4.44 0.00 2.13 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 0.00 2.43 2.38 0.00 58 L 8.55 4.55 0.00 1.52 1.66 0.97 1.08 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 59 P 0.00 4.83 0.00 2.23 1.97 0.00 3.97 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 2.12 2.10 0.00 60 N 9.51 4.37 0.00 2.95 2.91 0.00 0.00 7.26 8.08 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 61 A 8.13 4.00 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 62 V 7.75 3.69 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 1.01 0.00 0.00 0.94 0.00 0.00 63 Y 8.35 4.37 0.00 3.04 3.22 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 64 R 8.16 3.75 0.00 1.83 1.96 0.00 3.20 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 65 N 7.86 5.10 0.00 2.74 2.78 0.00 0.00 6.50 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 66 L 8.09 3.66 0.00 1.88 1.62 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.69 4.00 0.00 2.78 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 0.00 0.00 0.00 68 F 7.06 4.93 0.00 3.22 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 69 P 0.00 4.43 0.00 2.12 1.95 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 70 V 7.99 4.12 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 0.85 0.00 0.00 0.95 0.00 0.00 71 L 8.35 4.22 0.00 1.55 1.50 0.76 1.03 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 72 D 8.34 4.40 0.00 2.70 2.46 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 73 A 8.53 4.14 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 74 Q 8.29 4.51 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.48 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 *77 H 7.82 4.81 0.00 3.20 3.17 0.00 5.64 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 78 A 8.69 4.74 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 79 G 8.40 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 80 S 8.00 4.10 0.00 4.00 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 81 G 7.99 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 0.00 0.00 0.00 82 K 7.55 4.97 0.00 1.75 1.69 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 83 I 9.21 4.13 1.88 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 1.30 0.58 0.91 0.00 0.00 84 E 8.78 4.70 0.00 1.91 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 2.20 2.41 0.00 85 T 7.41 4.77 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 86 I 8.23 3.70 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 1.53 0.85 0.95 0.00 0.00 87 S 8.10 4.08 0.00 3.89 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 88 E 8.21 3.96 0.00 2.18 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 2.33 2.50 0.00 89 C 8.09 4.03 0.00 3.14 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 90 D 8.26 4.32 0.00 2.83 2.70 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 91 R 8.06 3.86 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 92 L 8.17 3.99 0.00 1.70 1.69 0.92 1.30 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 93 K 8.29 3.84 0.00 1.91 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 94 N 8.04 4.32 0.00 2.86 2.73 0.00 0.00 7.04 6.14 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 95 L 7.69 3.59 0.00 1.82 1.66 0.94 0.54 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 96 V 7.97 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 1.11 0.00 0.00 0.98 0.00 0.00 97 R 7.93 3.80 0.00 1.93 1.96 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 98 N 7.83 3.87 0.00 1.67 1.42 0.00 0.00 6.68 7.22 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 99 V 7.45 3.78 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 1.15 0.00 0.00 1.22 0.00 0.00 100 T 8.11 3.92 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 1.23 0.00 0.00 101 D 8.27 4.38 0.00 2.65 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 0.00 102 T 8.04 4.00 4.65 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 1.39 0.00 0.00 103 L 8.23 4.34 0.00 1.96 1.94 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.93 3.70 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 0.87 0.00 0.00 1.00 0.00 0.00 105 E 8.29 4.13 0.00 2.18 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 2.37 2.67 0.00 106 N 8.29 4.56 0.00 2.76 2.48 0.00 0.00 6.76 7.47 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 0.00 107 Y 7.37 4.88 0.00 3.18 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.52 0.00 2.20 2.08 0.00 3.94 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 2.02 1.97 0.00 109 Q 8.72 4.04 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 110 G 8.02 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 0.00 0.00 0.00 111 L 7.83 4.07 0.00 1.73 1.78 0.94 0.95 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 0.00 112 E 8.13 4.09 0.00 1.96 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 2.47 2.36 0.00 113 S 8.14 4.69 0.00 4.21 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 0.00 114 E 8.49 3.93 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 115 A 8.12 4.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.06 0.00 1.86 1.64 0.20 0.08 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 0.00 117 L 8.27 4.04 0.00 1.84 1.76 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.28 3.68 2.04 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 1.47 0.71 0.90 0.00 0.00 119 A 8.05 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.35 3.98 0.00 1.71 1.75 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.46 4.44 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.59 3.64 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 0.00 0.00 0.00 123 V 7.79 3.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 124 K 7.97 3.93 0.00 2.07 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 125 L 8.23 3.98 0.00 1.81 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.28 3.98 0.00 2.14 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 2.33 2.49 0.00 127 L 8.21 4.07 0.00 1.83 1.72 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.15 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.06 3.83 0.00 1.91 2.10 0.00 3.12 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 1.64 1.69 0.00 130 I 8.14 3.68 2.06 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 1.42 0.51 0.95 0.00 0.00 131 R 8.39 3.88 0.00 1.88 2.11 0.00 3.09 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 1.63 1.64 0.00 132 K 7.94 3.92 0.00 1.94 1.85 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 133 D 7.89 4.66 0.00 2.89 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 0.00 134 I 7.82 4.12 2.01 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 1.55 0.48 0.93 0.00 0.00 135 E 8.05 3.93 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 2.33 2.50 0.00 *137 Y 7.85 4.56 0.00 3.20 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 0.00 138 G 8.47 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 0.00 139 D 8.51 4.57 0.00 2.71 2.46 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 * Residues marked with a * may have inaccurate shift predictions.