NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0357 8.3544 108.0380 46.0794 0.0000 173.7626 4 L 4.3173 7.2327 119.0162 53.4030 46.2962 167.9873 5 V 4.7177 9.0639 126.8869 61.0702 34.3075 173.7712 6 A 4.8982 9.2466 130.5515 50.0721 22.0161 174.8309 7 S 5.2293 8.3559 115.3107 56.2822 66.8752 172.9004 8 N 4.2675 8.8762 113.2681 54.2719 35.5793 176.0195 9 L 3.9259 8.1226 122.3960 56.4373 42.4787 176.1914 10 N 4.2049 8.4668 116.0377 53.9661 38.1074 173.8787 11 L 4.4007 8.0627 118.7370 54.8636 43.1607 175.6721 12 K 5.1349 10.0653 125.4388 53.3713 35.5368 173.7417 13 P 4.0724 0.0000 0.0000 63.5513 31.5142 176.4978 14 G 4.0981 8.7780 109.9185 45.5997 0.0000 174.5484 15 E 4.4450 7.4591 125.8849 56.2230 28.7003 176.6041 *17 L 4.0065 8.3323 127.9932 55.9776 43.1507 176.2329 18 R 4.7301 8.7338 127.3594 54.5056 32.6387 174.6315 19 V 4.6096 8.6126 125.8296 61.0530 34.5335 173.9784 20 R 5.1862 8.4591 127.5565 54.8761 33.4408 174.2746 21 G 3.5955 8.6739 111.0221 45.4610 0.0000 170.8808 22 E 4.9701 8.3746 121.0450 54.0922 32.2655 174.8542 23 V 4.4511 9.1092 127.7688 61.8638 32.6127 175.2607 24 A 4.3244 8.4555 130.1155 52.3042 18.5544 177.4254 25 A 4.0897 8.7500 122.4018 54.9721 18.7097 179.3779 26 D 4.8828 7.6115 113.9098 53.1721 41.6191 176.7749 27 A 4.1380 7.8254 121.3536 53.0308 19.0766 178.0488 28 K 4.4915 10.1767 122.6359 58.2352 34.4432 176.3342 29 S 5.3577 8.1296 111.9739 58.0464 65.8351 173.8857 30 F 5.5503 8.1774 116.9138 55.6986 41.4617 173.1060 31 L 4.7057 9.2432 119.4611 54.4634 44.5482 174.6436 32 L 5.3223 8.8580 119.3197 53.2779 45.2921 175.2467 33 N 5.5549 9.3621 121.9053 51.5392 41.5979 173.9671 34 L 5.2279 9.3391 122.4909 52.5183 45.6646 176.0427 35 G 4.1993 8.4641 111.5106 46.8652 0.0000 174.9448 36 K 4.0762 9.3922 120.7576 58.2749 33.0492 175.9061 37 D 3.8621 7.1047 115.3814 52.0284 41.6761 175.0574 38 D 3.9842 7.5767 117.6914 56.9088 41.2521 176.5792 39 N 4.4866 7.9480 114.5545 53.7046 39.2863 173.9978 40 N 5.4341 7.6794 115.4419 51.1308 40.6211 171.7487 41 L 5.1534 8.6702 122.7995 53.1001 43.6879 176.8270 42 C 4.5208 8.8815 117.8760 59.6746 31.2227 173.6074 43 L 4.5681 8.2882 122.3316 54.2802 45.8211 173.3186 44 H 5.4313 9.3270 127.1220 54.6601 32.2343 172.5189 45 F 4.8268 8.9823 130.0638 56.5952 41.2289 173.8997 46 N 4.9696 8.6678 125.8514 49.5488 40.6376 170.5981 47 P 4.4210 0.0000 0.0000 61.8061 32.9240 175.2479 48 R 4.6407 9.0067 124.1469 54.6392 31.9332 176.9569 49 F 3.6998 9.0857 123.6912 60.2748 40.4099 174.4950 50 N 5.2015 8.6221 112.9980 53.3334 41.1057 173.3849 51 A 4.4939 9.3414 127.2199 51.8632 22.5913 175.9131 52 H 4.1700 9.7476 115.9354 56.7310 26.4093 176.1073 53 G 4.0005 8.5795 108.8953 45.2698 0.0000 174.1943 54 D 4.5829 8.3855 120.5528 53.0284 41.8527 175.4848 55 V 4.4809 7.9499 122.8483 62.3313 34.1301 175.2817 56 N 3.1400 7.8609 125.8343 54.0760 36.5119 174.1592 57 T 4.5667 7.5318 114.2140 61.7220 73.7558 175.1521 58 I 4.2222 8.3517 126.1382 60.2222 38.7027 174.7554 59 V 4.6302 8.1900 127.9115 61.2540 33.7405 174.3065 60 C 5.6227 8.9806 124.6454 57.4346 32.1769 172.8417 61 N 5.3399 8.0225 118.9811 53.2071 42.3544 172.1713 62 S 5.5548 8.9872 112.6103 56.7551 67.5118 172.8510 63 K 4.9173 8.8767 120.5897 55.1688 35.7019 173.9850 64 D 4.8460 8.9015 126.8312 52.3095 43.9569 175.4622 65 A 3.7252 9.6028 131.0137 53.1561 16.6803 177.5770 66 G 3.7001 8.3555 108.9890 45.6953 0.0000 173.7661 67 A 4.4949 7.8935 123.9943 49.9028 20.2076 176.7178 68 W 4.9757 8.7773 123.2553 57.2864 29.7674 176.7773 69 G 4.4643 8.8938 109.7439 46.0477 0.0000 173.1488 70 A 4.5633 8.7117 126.6174 51.0086 19.2204 177.9825 71 E 4.3737 8.9301 122.4223 57.1426 30.7802 176.5210 72 Q 4.6257 9.0159 122.3443 54.5717 32.7230 173.8365 73 R 5.1133 8.7192 124.3845 54.3925 33.2742 174.7937 74 E 4.5180 8.6749 122.3117 54.6385 32.4939 177.2245 75 S 3.8593 8.8736 118.5941 61.2445 62.8537 174.4861 76 A 3.9904 7.7944 120.8032 53.2089 18.6834 177.9450 77 F 4.8725 8.2263 123.6667 56.5431 39.8130 173.4832 78 P 4.4411 0.0000 0.0000 62.5111 31.0892 177.1525 79 F 4.9781 7.4974 116.5423 56.7799 41.6209 174.8506 80 Q 5.0203 8.7108 123.2272 53.3899 31.4707 173.5914 81 P 4.1273 0.0000 0.0000 63.6658 31.9482 177.0710 82 G 3.8645 8.4541 109.2670 45.5946 0.0000 173.0861 83 S 4.8007 7.5619 113.8599 56.3831 65.7209 172.5890 84 V 4.5967 8.2195 122.8151 61.7769 32.3764 175.3545 85 V 4.7326 8.8791 120.8031 59.6447 35.3459 174.1527 86 E 5.2415 8.7038 121.6813 55.1004 32.9459 174.9985 87 V 4.9227 8.2194 118.0506 58.8143 36.1048 173.7997 *89 I 4.4931 8.2923 120.7520 62.0987 38.1991 175.3837 90 S 5.0463 8.8110 120.0658 57.0751 67.3317 172.2211 91 F 5.4395 8.3855 114.1686 56.8205 41.3200 171.8391 92 N 4.6483 8.7685 114.3973 52.2557 39.3235 173.9611 93 Q 4.2263 8.7734 116.0912 59.0268 29.1738 177.1452 94 T 4.4786 9.4064 108.8526 62.8983 71.0750 174.5762 95 D 5.4218 8.2331 119.3581 52.5659 46.3336 174.1174 96 L 5.2884 9.3061 119.7420 53.4754 44.8387 175.8191 97 T 5.0069 8.7434 119.6247 61.7995 71.3448 173.3107 98 I 4.4365 8.4779 127.0903 59.3075 39.6783 174.5074 99 K 4.8234 8.4017 126.7560 54.8125 33.9946 176.0291 100 L 4.5184 8.7900 125.3688 52.3625 44.0237 175.1367 101 P 4.3443 0.0000 0.0000 66.1747 31.1677 178.8101 102 D 4.4670 7.8279 111.6989 54.0783 38.9672 175.7374 103 G 4.2886 9.1462 116.4736 48.0612 0.0000 174.6469 *104 Y 3.9791 7.5162 117.5411 52.5244 37.5441 176.5164 105 E 5.3886 8.4858 124.6783 54.2899 33.1869 173.6397 106 F 5.1768 8.9067 120.5531 55.7209 42.2276 173.0021 107 K 5.2474 8.9397 117.2440 54.9960 35.0645 175.8814 108 F 5.1675 8.9238 123.3604 56.0862 43.1140 171.9046 109 P 4.5924 0.0000 0.0000 62.6589 32.2172 176.5471 110 N 4.6909 9.4691 123.2352 52.4030 37.4176 174.6964 111 R 4.0503 8.2573 122.0418 58.7844 30.5076 178.1643 112 L 4.2086 7.9266 114.1683 54.7129 42.2335 176.0806 113 N 4.2613 7.9694 115.3810 54.1038 36.5327 174.6940 114 L 4.2848 8.1405 116.0879 55.0209 42.5657 177.4243 115 E 4.7474 8.7788 119.4794 56.4951 30.8342 175.8330 116 A 5.2597 7.7982 119.3551 50.6379 22.7549 175.5196 117 I 4.3155 8.8983 122.3030 60.0220 39.0134 175.9774 118 N 4.9463 9.0000 123.7849 53.3134 40.7303 173.9023 119 Y 5.2791 8.2834 120.6725 55.6004 42.4639 173.8456 120 L 5.1981 8.2128 127.0839 53.6555 46.0172 175.0115 121 S 5.1406 8.9963 120.0680 56.9832 67.9169 172.8271 122 A 5.1111 8.9875 122.9738 50.8311 22.6888 175.7166 123 G 3.9834 9.4816 108.5607 45.8771 0.0000 172.1440 124 G 4.1001 8.8794 104.6245 44.6470 0.0000 173.7370 125 D 4.8526 8.9735 116.1286 53.1381 39.2677 176.5666 126 F 5.4094 7.8184 119.5831 56.4645 43.3949 174.1516 127 K 4.4840 8.7090 125.6178 54.6756 34.8988 175.5028 128 I 3.8059 8.2422 125.9092 61.4589 37.0759 175.9494 129 K 4.1947 8.6704 125.8145 56.7349 33.6646 176.6828 *131 V 3.9694 7.6711 119.1677 62.6109 32.3049 174.2999 132 A 4.7486 8.7284 128.5865 50.0661 23.0958 174.7034 133 F 4.8466 8.9132 117.9473 55.8570 41.0658 175.7256 134 E 4.3142 8.7245 122.5719 56.3952 29.8280 176.2386 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 3 G 8.35 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 0.00 0.00 0.00 4 L 7.23 4.32 0.00 1.73 1.47 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.06 4.72 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 0.92 0.00 0.00 0.98 0.00 0.00 6 A 9.25 4.90 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 7 S 8.36 5.23 0.00 3.92 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 8 N 8.88 4.27 0.00 2.90 2.95 0.00 0.00 6.80 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 9 L 8.12 3.93 0.00 1.75 1.97 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.47 4.20 0.00 2.79 2.76 0.00 0.00 7.16 8.53 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 11 L 8.06 4.40 0.00 2.02 1.82 1.17 0.57 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 12 K 10.07 5.13 0.00 1.78 1.63 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.58 7.81 13 P 0.00 4.07 0.00 1.78 1.64 0.00 3.53 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.29 0.00 14 G 8.78 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.46 4.45 0.00 2.14 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 2.36 2.43 0.00 *17 L 8.33 4.01 0.00 1.62 1.60 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.73 4.73 0.00 1.80 1.65 0.00 3.05 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 19 V 8.61 4.61 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 1.06 0.00 0.00 0.89 0.00 0.00 20 R 8.46 5.19 0.00 1.99 1.69 0.00 3.24 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 21 G 8.67 3.60 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 22 E 8.37 4.97 0.00 1.80 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 2.14 2.14 0.00 23 V 9.11 4.45 2.28 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 0.82 0.00 0.00 1.11 0.00 0.00 24 A 8.46 4.32 1.21 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 0.00 0.00 0.00 25 A 8.75 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.61 4.88 0.00 2.63 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 27 A 7.83 4.14 0.74 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 28 K 10.18 4.49 0.00 1.73 1.98 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.38 7.81 29 S 8.13 5.36 0.00 3.88 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 30 F 8.18 5.55 0.00 3.14 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 31 L 9.24 4.71 0.00 1.63 1.64 1.05 0.86 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 32 L 8.86 5.32 0.00 1.72 1.63 0.89 0.61 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 33 N 9.36 5.55 0.00 2.78 2.91 0.00 0.00 6.32 6.53 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 34 L 9.34 5.23 0.00 1.52 1.46 0.91 0.69 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 35 G 8.46 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 0.00 0.00 0.00 36 K 9.39 4.08 0.00 1.78 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.36 7.81 37 D 7.10 3.86 0.00 2.54 2.58 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 38 D 7.58 3.98 0.00 2.34 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 39 N 7.95 4.49 0.00 2.69 2.75 0.00 0.00 6.61 6.31 0.00 0.00 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 N 7.68 5.43 0.00 2.61 2.62 0.00 0.00 6.78 7.27 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 41 L 8.67 5.15 0.00 1.66 1.76 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.88 4.52 0.00 3.03 3.06 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 43 L 8.29 4.57 0.00 1.83 1.53 0.58 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.33 5.43 0.00 3.63 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.98 4.83 0.00 3.03 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 46 N 8.67 4.97 0.00 2.25 2.46 0.00 0.00 7.07 7.73 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 47 P 0.00 4.42 0.00 0.82 0.93 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.70 0.00 48 R 9.01 4.64 0.00 1.59 1.72 0.00 3.14 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 49 F 9.09 3.70 0.00 3.22 3.21 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 0.00 50 N 8.62 5.20 0.00 2.65 2.72 0.00 0.00 7.00 8.82 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 51 A 9.34 4.49 1.07 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 0.00 0.00 52 H 9.75 4.17 0.00 3.26 3.30 0.00 5.69 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 53 G 8.58 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 0.00 0.00 0.00 54 D 8.39 4.58 0.00 2.73 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 55 V 7.95 4.48 1.97 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 0.73 0.00 0.00 0.87 0.00 0.00 56 N 7.86 3.14 0.00 2.43 1.92 0.00 0.00 6.84 6.98 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 57 T 7.53 4.57 4.07 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 1.10 0.00 0.00 58 I 8.35 4.22 1.76 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.81 0.69 0.00 0.00 59 V 8.19 4.63 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 0.80 0.00 0.00 0.79 0.00 0.00 60 C 8.98 5.62 0.00 2.50 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 0.00 0.00 0.00 61 N 8.02 5.34 0.00 2.71 2.82 0.00 0.00 6.64 7.63 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 62 S 8.99 5.55 0.00 4.15 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 0.00 63 K 8.88 4.92 0.00 1.34 1.35 0.00 1.13 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.03 0.31 7.81 64 D 8.90 4.85 0.00 2.73 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 65 A 9.60 3.73 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 66 G 8.36 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 0.00 0.00 0.00 67 A 7.89 4.49 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 68 W 8.78 4.98 0.00 3.27 2.97 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 69 G 8.89 4.46 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 0.00 70 A 8.71 4.56 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.93 4.37 0.00 1.84 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 2.20 2.26 0.00 72 Q 9.02 4.63 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 73 R 8.72 5.11 0.00 1.64 1.71 0.00 3.14 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 74 E 8.67 4.52 0.00 1.57 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 1.78 1.47 0.00 75 S 8.87 3.86 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.79 3.99 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 77 F 8.23 4.87 0.00 3.05 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 78 P 0.00 4.44 0.00 1.69 1.89 0.00 3.03 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 1.36 2.04 0.00 79 F 7.50 4.98 0.00 2.39 3.21 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 0.00 80 Q 8.71 5.02 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 81 P 0.00 4.13 0.00 2.01 1.76 0.00 3.92 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.85 0.00 82 G 8.45 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 83 S 7.56 4.80 0.00 4.08 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 84 V 8.22 4.60 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 0.87 0.00 0.00 0.89 0.00 0.00 85 V 8.88 4.73 2.41 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 1.08 0.00 0.00 1.24 0.00 0.00 86 E 8.70 5.24 0.00 1.95 1.78 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 2.18 2.32 0.00 87 V 8.22 4.92 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 1.21 0.00 0.00 0.80 0.00 0.00 *89 I 8.29 4.49 1.79 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 1.13 0.25 0.90 0.00 0.00 90 S 8.81 5.05 0.00 3.91 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 91 F 8.39 5.44 0.00 3.21 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 92 N 8.77 4.65 0.00 2.71 2.74 0.00 0.00 7.03 7.01 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 93 Q 8.77 4.23 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 94 T 9.41 4.48 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 95 D 8.23 5.42 0.00 2.68 2.60 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 96 L 9.31 5.29 0.00 1.74 1.60 1.12 0.74 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 97 T 8.74 5.01 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 1.16 0.00 0.00 98 I 8.48 4.44 0.58 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.36 0.23 0.00 0.00 99 K 8.40 4.82 0.00 1.63 1.67 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.37 7.81 100 L 8.79 4.52 0.00 1.61 1.54 1.21 1.46 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 0.00 101 P 0.00 4.34 0.00 2.02 2.09 0.00 3.47 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 102 D 7.83 4.47 0.00 2.75 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 0.00 103 G 9.15 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 0.00 0.00 0.00 0.00 *104 Y 7.52 3.98 0.00 2.28 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 0.00 0.00 0.00 0.00 105 E 8.49 5.39 0.00 1.91 1.82 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 0.00 2.24 2.30 0.00 106 F 8.91 5.18 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.94 5.25 0.00 1.75 1.83 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.47 7.81 108 F 8.92 5.17 0.00 3.31 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 0.00 109 P 0.00 4.59 0.00 1.88 1.85 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.62 0.00 110 N 9.47 4.69 0.00 2.68 3.03 0.00 0.00 7.19 7.53 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 0.00 111 R 8.26 4.05 0.00 1.88 2.00 0.00 3.32 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 112 L 7.93 4.21 0.00 1.65 1.72 0.94 1.04 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 0.00 113 N 7.97 4.26 0.00 2.90 2.92 0.00 0.00 6.98 8.02 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 0.00 114 L 8.14 4.28 0.00 1.62 1.75 0.88 0.96 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 0.00 115 E 8.78 4.75 0.00 2.01 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 2.27 2.36 0.00 116 A 7.80 5.26 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 0.00 117 I 8.90 4.32 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.01 0.94 0.00 0.00 118 N 9.00 4.95 0.00 2.68 2.89 0.00 0.00 6.48 7.48 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 0.00 119 Y 8.28 5.28 0.00 3.22 2.82 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 0.00 0.00 0.00 0.00 120 L 8.21 5.20 0.00 1.70 1.34 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 121 S 9.00 5.14 0.00 3.83 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 0.00 122 A 8.99 5.11 1.32 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 0.00 0.00 123 G 9.48 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 0.00 124 G 8.88 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.97 4.85 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.82 5.41 0.00 2.73 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 0.00 127 K 8.71 4.48 0.00 1.65 1.78 0.00 1.30 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.21 7.81 128 I 8.24 3.81 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.47 0.87 0.00 0.00 129 K 8.67 4.19 0.00 1.62 1.75 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.40 7.81 *131 V 7.67 3.97 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 0.52 0.00 0.00 0.90 0.00 0.00 132 A 8.73 4.75 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 0.00 133 F 8.91 4.85 0.00 2.97 3.10 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 0.00 0.00 0.00 134 E 8.72 4.31 0.00 1.92 1.82 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 0.00 2.22 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.