NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1398 8.0249 121.4524 60.1349 38.6975 175.2020 6 P 4.0345 0.0000 0.0000 62.5984 31.6788 176.5434 7 K 4.0234 8.6586 125.1736 57.4946 32.6542 174.9603 8 I 3.9504 7.5611 109.7300 62.4811 38.0364 175.8928 9 I 3.9669 7.3339 123.2486 60.0694 37.3776 174.7270 10 P 4.5943 0.0000 0.0000 61.5518 33.6857 175.2529 11 P 4.2488 0.0000 0.0000 65.8810 31.2009 178.4951 12 E 3.9543 8.1682 117.5295 59.2841 29.4910 178.5262 13 L 4.0261 7.8717 119.8899 57.7004 42.2159 178.4122 14 L 3.9434 8.0198 120.6190 57.8708 41.9687 178.7540 15 K 3.8793 8.1407 119.5356 59.5656 31.9186 178.6856 16 V 3.9397 7.6882 116.9465 66.3808 31.5429 177.7362 17 L 4.2859 8.0993 117.4569 57.9876 41.4852 179.0194 18 C 4.3756 8.0274 116.4246 61.6472 29.5070 175.1256 19 E 4.2759 8.0366 120.7998 55.1099 26.8660 175.1239 *21 G 3.5547 7.6514 113.3361 45.7583 0.0000 168.6500 22 H 4.2933 8.4907 118.7774 58.3164 29.6677 175.4134 23 G 3.9407 8.8930 116.6715 45.0867 0.0000 173.2951 24 D 4.5768 8.0296 119.9787 54.6087 42.0777 175.4864 25 Q 5.4430 8.7804 120.2008 54.0725 32.2932 174.4467 26 L 5.2803 8.9009 122.0750 53.9474 44.5506 175.1429 27 V 4.6282 8.4569 120.0691 61.2300 34.0822 174.4983 28 I 4.4407 8.9314 129.6034 60.3046 38.2274 174.5475 29 A 4.4516 8.8027 130.9681 50.3055 20.6852 176.6877 30 D 4.7310 8.5836 122.3793 52.6042 40.9748 177.6519 31 G 3.6833 8.9374 107.8976 48.3409 0.0000 174.5495 32 N 4.5934 7.8399 115.5336 53.8064 39.0817 175.3517 33 F 4.3553 8.0047 121.7970 57.3032 40.5823 174.3090 34 P 4.4510 0.0000 0.0000 61.7624 29.7408 176.5094 35 A 4.3568 8.0714 127.9729 56.2305 19.2801 180.2326 36 E 4.0202 8.2279 114.3400 59.3855 29.7350 179.2964 37 S 4.2270 7.8607 113.8407 61.6310 63.1224 176.4146 38 I 3.8339 7.6227 122.7059 63.3755 36.9500 176.9964 39 G 4.0551 8.2380 110.0484 46.0397 0.0000 176.3573 40 K 3.9206 7.7628 124.2832 56.7949 31.6940 181.0981 41 N 4.8197 8.1178 112.7461 52.8990 38.6997 173.3863 42 A 4.7373 7.8268 120.7004 49.9897 22.8280 175.8422 43 I 4.0422 7.9276 119.0559 60.5614 38.3878 175.7406 44 V 4.6159 8.3359 127.8102 61.3446 32.8435 174.8078 45 V 4.3643 8.4891 128.5378 61.2274 33.4621 175.7841 46 R 4.4609 8.4808 126.9020 56.0189 31.1680 175.9298 *48 D 4.5979 8.6733 118.3100 54.2140 43.3687 177.5567 49 G 3.8759 8.1410 102.9354 46.4282 0.0000 173.4425 50 H 5.2411 7.9866 117.4860 53.4264 32.1181 173.7651 51 G 4.3654 9.2951 109.9196 43.7299 0.0000 175.4911 52 G 4.1623 8.6675 109.2137 47.1394 0.0000 176.4440 53 G 3.8004 8.2430 107.7976 47.6638 0.0000 175.2675 54 E 4.0030 8.2688 121.0547 59.2030 29.4612 179.5501 55 I 3.6538 7.7349 119.5629 64.2299 37.1432 178.2323 56 L 3.7790 8.2184 121.5996 57.9078 41.6589 178.7300 57 K 3.8600 8.1121 118.4507 59.5826 32.1443 178.2606 58 A 4.1253 7.8892 120.6173 55.2197 18.2436 179.6772 59 I 3.6215 7.8474 118.4515 64.5795 36.9848 178.7522 60 L 4.0303 7.8771 118.4217 57.3680 41.4187 179.2749 61 T 4.0973 7.5029 109.0928 63.7694 68.7525 175.2259 62 V 4.3043 7.9228 111.9975 60.4725 33.2624 174.9991 63 F 4.6794 7.9988 121.8273 55.3139 40.9780 172.0782 64 P 4.5422 0.0000 0.0000 62.4098 32.6263 175.5837 65 L 4.7038 8.4351 123.1967 54.1369 42.7150 176.2399 66 D 4.5600 8.7317 123.8677 54.9791 41.2898 176.2740 67 T 4.3488 8.8557 114.8840 62.4000 69.5819 174.7394 68 Y 4.2950 8.5761 119.3376 58.6835 38.3374 175.4808 69 V 4.6052 7.3141 112.1463 59.1096 35.7032 175.1787 70 D 4.4929 8.9236 121.6563 57.0113 41.3187 177.1725 71 K 4.6340 7.5240 117.5737 53.7228 32.3676 173.9846 72 P 4.5654 0.0000 0.0000 63.9477 32.8868 176.2617 73 A 5.2649 8.1778 123.3346 50.5454 22.0195 175.5994 74 T 5.0130 8.8884 117.4147 60.8304 72.6702 172.3480 75 L 4.8986 8.9413 126.4168 54.7376 43.1423 178.5342 *77 E 4.3773 8.8152 126.1161 56.6409 30.4170 174.7368 78 K 2.5995 8.5190 122.2544 55.6875 32.8265 177.2949 79 V 3.6697 8.3424 123.3775 62.3066 31.9416 173.6512 80 P 4.3406 0.0000 0.0000 64.6673 31.4705 176.5867 81 G 3.8600 9.0864 111.6804 45.0636 0.0000 172.5651 82 D 4.5967 8.0890 120.0201 53.6227 40.6934 175.5219 83 T 4.3954 8.3199 116.3484 60.9424 69.2667 175.2027 84 V 3.5209 7.3719 120.6428 62.1669 31.5514 176.0912 85 A 3.9578 8.4159 126.3307 52.5882 19.5738 177.4542 86 T 4.3290 7.5628 109.1539 58.8881 68.6329 173.2651 87 P 4.1514 0.0000 0.0000 66.7355 31.5003 178.0892 88 I 3.5428 7.5241 117.5281 63.3210 37.7987 177.6058 89 W 4.4109 7.9888 120.2597 59.9910 28.8643 178.0704 90 D 4.5021 8.1547 118.4434 56.9760 40.2317 179.0380 91 V 3.6114 7.5833 118.5011 66.2851 31.5888 177.4417 92 Y 4.4639 8.3339 116.7109 61.2427 37.6197 178.6576 93 A 4.1900 8.4003 121.8273 55.0213 18.3540 179.8667 94 G 3.6156 8.2987 104.2479 48.0882 0.0000 175.9139 95 L 4.1062 7.9167 120.4381 57.5165 41.9374 179.4535 96 I 3.9166 8.1139 119.9564 64.2504 35.4838 178.2826 97 K 4.1278 8.4182 120.7048 59.7048 31.6860 178.6111 98 E 4.2504 7.8982 117.9618 58.6775 29.3998 177.2944 99 H 4.7844 7.5157 112.5638 55.5268 31.0433 173.8573 100 D 4.6308 8.4584 121.8408 52.9418 43.6690 176.4133 101 E 4.0857 8.9691 122.9626 58.6227 30.2025 174.9323 102 R 4.1167 8.6108 116.5997 57.8158 31.5138 178.4555 103 G 3.7404 8.0753 106.5458 46.2426 0.0000 177.1211 104 A 4.0709 8.6144 126.8943 54.6366 18.2498 179.1097 105 D 4.5030 7.9839 114.2713 56.0538 41.2009 176.9447 106 A 4.4734 8.1322 121.8359 52.4556 19.1181 176.2260 107 I 4.7268 7.5845 117.5878 59.7243 38.9188 175.7045 108 G 4.3323 8.8246 116.9839 44.9906 0.0000 171.7760 109 S 5.2831 8.2534 112.4256 57.1051 66.1129 173.4891 110 L 4.9069 8.6380 119.9824 52.5599 45.3864 176.3630 111 E 4.0451 9.0213 123.2919 56.7966 30.6033 177.2779 112 R 3.5780 9.0699 125.0942 60.1417 30.0029 178.8242 113 F 4.2070 8.6721 116.2621 60.2189 39.0565 177.5911 114 A 4.1361 8.7884 120.9454 54.8465 18.0486 179.3222 115 F 3.9243 8.7476 119.7303 61.7754 39.5371 176.8668 116 Y 4.6581 7.9334 116.2584 61.4359 37.4625 178.6482 117 E 4.0732 8.1903 118.2889 59.5508 29.9048 178.9483 118 Q 4.0518 8.3209 119.3791 59.0855 29.1246 178.0380 119 A 3.9833 8.2902 122.0230 54.9080 18.1968 179.5218 120 K 4.3151 7.9780 115.7544 58.7308 32.1539 178.0294 121 N 4.7098 7.8511 114.9087 52.2065 39.2367 175.1702 122 A 4.2458 7.1914 124.1764 52.1077 19.3952 177.3154 123 Y 4.3101 8.9772 122.7458 60.3922 40.1657 175.3785 124 C 5.1392 8.0601 118.0739 57.6052 35.7413 172.7407 125 V 4.6785 8.7724 125.5847 61.2228 33.8748 174.0853 126 I 4.6357 8.9568 129.4640 60.0676 38.6538 175.0587 127 A 4.7400 8.8737 131.4515 50.8274 18.2855 176.9468 128 S 4.3875 8.7504 116.7910 58.3357 64.9543 174.3459 129 G 4.6000 8.4658 104.5689 45.1603 0.0000 173.6454 130 E 4.1002 8.3775 122.9338 56.3040 29.7921 177.9852 131 S 4.1585 8.6836 120.7974 60.1075 63.9335 174.7179 132 A 4.0482 8.1154 124.3168 52.1784 18.5767 177.2489 133 Q 4.1001 8.3886 120.6758 56.3966 29.6932 174.9522 134 Y 3.6607 7.7113 114.1236 59.7050 35.4458 170.7597 135 A 4.9818 8.3615 117.5569 52.0172 19.9383 178.0454 136 N 4.7906 8.1138 114.8280 54.3800 39.7784 174.6142 137 L 4.9578 8.9863 123.6213 53.9030 46.1262 174.4754 138 I 4.7443 8.8590 127.2533 59.8479 39.3232 174.5547 139 L 5.1819 8.9158 126.6423 52.9277 45.0411 175.0341 140 Q 5.0864 8.9458 124.9215 54.1881 31.3872 174.3934 141 K 3.7440 9.1994 128.7506 56.3262 33.4335 176.6215 142 G 4.1453 8.3303 115.5835 45.2495 0.0000 173.1420 143 V 3.9526 8.1136 119.4623 61.8978 32.7939 177.1839 144 V 3.8918 8.0277 123.3569 62.9742 31.4232 175.4515 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 I 8.02 4.14 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 1.43 1.07 0.92 0.00 0.00 6 P 0.00 4.03 0.00 2.24 2.00 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 7 K 8.66 4.02 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 8 I 7.56 3.95 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.85 0.00 0.00 9 I 7.33 3.97 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.91 0.00 0.00 10 P 0.00 4.59 0.00 2.27 2.18 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 11 P 0.00 4.25 0.00 2.18 2.16 0.00 3.61 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 2.12 2.16 0.00 12 E 8.17 3.95 0.00 2.04 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 2.39 2.38 0.00 13 L 7.87 4.03 0.00 1.80 1.79 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.02 3.94 0.00 1.83 1.84 0.94 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.14 3.88 0.00 1.90 2.02 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.49 7.81 16 V 7.69 3.94 2.30 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 1.11 0.00 0.00 1.07 0.00 0.00 17 L 8.10 4.29 0.00 1.83 1.85 0.94 1.10 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 18 C 8.03 4.38 0.00 3.12 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 19 E 8.04 4.28 0.00 2.11 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 2.60 2.30 0.00 *21 G 7.65 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.49 4.29 0.00 2.89 3.09 0.00 5.90 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 23 G 8.89 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 0.00 0.00 0.00 24 D 8.03 4.58 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.78 5.44 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 26 L 8.90 5.28 0.00 1.76 1.74 0.64 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.46 4.63 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 0.53 0.00 0.00 0.86 0.00 0.00 28 I 8.93 4.44 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.40 0.84 0.00 0.00 29 A 8.80 4.45 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 30 D 8.58 4.73 0.00 3.01 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 31 G 8.94 3.68 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 0.00 32 N 7.84 4.59 0.00 2.68 2.85 0.00 0.00 6.95 7.34 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 33 F 8.00 4.36 0.00 3.20 3.08 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 34 P 0.00 4.45 0.00 1.89 1.89 0.00 2.20 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.20 0.00 35 A 8.07 4.36 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.02 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 37 S 7.86 4.23 0.00 3.96 4.04 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 38 I 7.62 3.83 2.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.28 1.15 0.00 0.00 39 G 8.24 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 0.00 0.00 0.00 40 K 7.76 3.92 0.00 1.74 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.29 7.81 41 N 8.12 4.82 0.00 2.68 2.83 0.00 0.00 6.62 7.35 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 42 A 7.83 4.74 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.93 4.04 1.67 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.30 0.89 0.00 0.00 44 V 8.34 4.62 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 0.83 0.00 0.00 1.01 0.00 0.00 45 V 8.49 4.36 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 1.01 0.00 0.00 0.93 0.00 0.00 46 R 8.48 4.46 0.00 1.75 2.12 0.00 3.47 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.67 4.60 0.00 2.62 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 49 G 8.14 3.88 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 0.00 0.00 0.00 50 H 7.99 5.24 0.00 3.18 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.30 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 52 G 8.67 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 0.00 0.00 0.00 53 G 8.24 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 54 E 8.27 4.00 0.00 2.20 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 2.44 2.46 0.00 55 I 7.73 3.65 1.85 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 0.70 0.84 0.00 0.00 56 L 8.22 3.78 0.00 1.58 1.78 0.72 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.11 3.86 0.00 1.91 2.03 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 58 A 7.89 4.13 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 59 I 7.85 3.62 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.49 0.00 0.00 60 L 7.88 4.03 0.00 1.48 1.38 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.50 4.10 4.28 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 1.36 0.00 0.00 62 V 7.92 4.30 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 0.72 0.00 0.00 1.02 0.00 0.00 63 F 8.00 4.68 0.00 2.88 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 64 P 0.00 4.54 0.00 2.04 2.08 0.00 3.29 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 65 L 8.44 4.70 0.00 1.59 1.68 0.97 1.22 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 66 D 8.73 4.56 0.00 2.95 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 67 T 8.86 4.35 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 1.22 0.00 0.00 68 Y 8.58 4.30 0.00 3.15 3.09 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 0.00 0.00 0.00 69 V 7.31 4.61 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 0.75 0.00 0.00 0.99 0.00 0.00 70 D 8.92 4.49 0.00 2.61 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 71 K 7.52 4.63 0.00 1.72 1.76 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.32 7.81 72 P 0.00 4.57 0.00 2.16 2.48 0.00 3.82 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 73 A 8.18 5.26 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 T 8.89 5.01 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 1.23 0.00 0.00 75 L 8.94 4.90 0.00 1.11 0.29 0.02 0.63 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 *77 E 8.82 4.38 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 78 K 8.52 2.60 0.00 1.53 1.40 0.00 1.61 0.00 0.00 1.30 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.42 1.14 7.81 79 V 8.34 3.67 2.24 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 1.14 0.00 0.00 1.10 0.00 0.00 80 P 0.00 4.34 0.00 2.11 2.03 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 81 G 9.09 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 0.00 0.00 0.00 82 D 8.09 4.60 0.00 2.73 2.77 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 0.00 0.00 0.00 83 T 8.32 4.40 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 1.20 0.00 0.00 84 V 7.37 3.52 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 0.88 0.00 0.00 0.92 0.00 0.00 85 A 8.42 3.96 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 86 T 7.56 4.33 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 0.65 0.00 0.00 87 P 0.00 4.15 0.00 2.20 2.28 0.00 3.62 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 1.97 1.95 0.00 88 I 7.52 3.54 1.69 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.11 0.78 0.00 0.00 89 W 7.99 4.41 0.00 3.51 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 90 D 8.15 4.50 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.58 3.61 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 1.13 0.00 0.00 0.95 0.00 0.00 92 Y 8.33 4.46 0.00 3.19 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 93 A 8.40 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.30 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 95 L 7.92 4.11 0.00 1.90 1.82 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.11 3.92 2.04 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 1.42 1.06 1.00 0.00 0.00 97 K 8.42 4.13 0.00 1.97 2.03 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 98 E 7.90 4.25 0.00 2.11 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 2.35 2.64 0.00 99 H 7.52 4.78 0.00 3.17 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.46 4.63 0.00 2.67 2.49 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 0.00 101 E 8.97 4.09 0.00 2.03 1.86 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 2.23 1.91 0.00 102 R 8.61 4.12 0.00 2.05 2.02 0.00 3.25 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 103 G 8.08 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 0.00 104 A 8.61 4.07 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 0.00 105 D 7.98 4.50 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.13 4.47 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 0.00 107 I 7.58 4.73 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.82 0.00 0.00 108 G 8.82 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 0.00 109 S 8.25 5.28 0.00 3.69 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 0.00 110 L 8.64 4.91 0.00 1.71 1.66 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.02 4.05 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 112 R 9.07 3.58 0.00 1.84 1.85 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.09 0.00 113 F 8.67 4.21 0.00 3.42 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 0.00 114 A 8.79 4.14 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 0.00 115 F 8.75 3.92 0.00 3.16 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 0.00 116 Y 7.93 4.66 0.00 3.34 2.93 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 0.00 117 E 8.19 4.07 0.00 2.20 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 2.71 2.56 0.00 118 Q 8.32 4.05 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 119 A 8.29 3.98 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 0.00 120 K 7.98 4.32 0.00 2.01 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 121 N 7.85 4.71 0.00 2.88 2.86 0.00 0.00 6.93 6.88 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 0.00 122 A 7.19 4.25 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 0.00 123 Y 8.98 4.31 0.00 3.11 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 0.00 124 C 8.06 5.14 0.00 3.07 2.77 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 0.00 0.00 0.00 125 V 8.77 4.68 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 1.01 0.00 0.00 1.00 0.00 0.00 126 I 8.96 4.64 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.89 0.00 0.00 127 A 8.87 4.74 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.75 4.39 0.00 4.12 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 0.00 129 G 8.47 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.38 4.10 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 131 S 8.68 4.16 0.00 4.01 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 0.00 132 A 8.12 4.05 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 0.00 133 Q 8.39 4.10 0.00 1.97 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 134 Y 7.71 3.66 0.00 3.31 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 0.00 135 A 8.36 4.98 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 0.00 136 N 8.11 4.79 0.00 2.04 2.52 0.00 0.00 6.76 7.85 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 0.00 137 L 8.99 4.96 0.00 1.48 1.23 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.86 4.74 1.72 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.12 0.85 0.00 0.00 139 L 8.92 5.18 0.00 1.31 1.60 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.95 5.09 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 141 K 9.20 3.74 0.00 1.48 1.58 0.00 1.33 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.97 0.21 7.81 142 G 8.33 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 0.00 0.00 0.00 143 V 8.11 3.95 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 0.73 0.00 0.00 0.44 0.00 0.00 144 V 8.03 3.89 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 0.80 0.00 0.00 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.