NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9427 8.5298 119.7541 55.6458 33.3176 174.6118 2 F 4.7278 8.3519 118.6143 54.8701 39.8452 172.0592 3 D 4.6046 9.8470 120.3712 54.8640 42.5917 177.0317 4 Q 5.2677 8.8550 115.0450 53.9758 34.0055 173.5283 5 L 5.5237 9.1937 122.2145 53.5247 45.3425 175.1383 6 A 5.2237 9.2877 126.4857 50.3651 23.3061 174.8203 7 V 4.5294 8.9308 121.3752 60.8878 34.1868 174.4823 8 F 5.5044 8.2933 121.9559 55.7217 41.6948 174.1993 9 T 4.6197 8.7466 110.6259 60.2647 69.7765 174.1530 10 P 4.4891 0.0000 0.0000 65.6908 31.3861 177.6427 11 Q 4.1447 8.1511 114.8889 56.4558 28.9163 176.6842 12 G 3.8812 8.4929 106.7424 45.4587 0.0000 173.2967 13 Q 4.2282 7.9738 119.5123 54.8409 29.4135 175.1736 14 V 4.4682 8.4037 125.5467 62.5605 32.3932 176.0079 *15 L 4.3899 8.7304 130.1410 57.5530 41.8051 173.2755 16 Y 5.0255 7.6304 118.3837 56.4480 42.2090 173.6607 17 Q 4.5412 7.4478 122.6322 54.6296 32.1643 173.5485 18 Y 4.8844 8.6369 121.7130 56.3577 42.8313 172.7681 19 N 4.9954 8.5530 125.0741 51.8033 40.6481 175.1751 20 C 3.5707 8.2069 124.6754 62.3272 28.0720 174.4535 21 L 4.3137 7.9306 118.3443 54.1735 41.0849 178.1082 22 G 3.9989 7.7674 105.1269 45.8235 0.0000 175.0113 23 K 4.1193 7.4449 117.6180 55.3488 32.6427 176.8430 24 K 3.8171 8.5072 121.9805 56.7560 32.4209 176.3938 25 F 3.8954 8.7611 128.1053 58.2393 39.6136 174.5567 26 S 4.3627 7.4493 122.7994 56.6365 61.6943 174.3206 27 E 3.8350 8.5237 128.9089 59.1762 29.2593 179.0015 28 I 3.6246 7.6699 119.6464 64.4007 37.1138 177.9799 29 Q 3.7099 7.7945 120.1707 59.2216 28.8717 178.3692 30 I 3.8740 7.1393 120.5121 64.4934 37.1230 178.2305 31 N 4.2688 8.5097 117.7717 56.3167 38.3681 177.6565 32 S 4.1791 8.2421 116.7413 61.3209 62.8571 176.4669 33 F 4.2436 8.3065 122.9584 61.4370 39.2241 177.2477 34 I 2.8698 7.5291 119.2082 64.3272 36.9582 178.7156 35 S 4.0218 7.9495 115.8932 61.4265 62.6340 176.5048 36 Q 3.8966 7.9047 122.2432 59.0998 28.5583 178.1657 37 L 3.9130 7.4418 120.3317 58.0563 42.0938 178.7357 38 I 3.8145 7.4743 118.9877 64.7493 37.1302 178.3222 39 T 4.2518 7.6305 115.2005 65.1551 69.1907 174.9054 40 S 4.5548 7.9213 116.0186 55.4738 63.7752 171.9158 41 P 4.5011 0.0000 0.0000 62.0536 32.0407 177.0561 42 V 4.1306 8.1754 113.8921 61.6090 32.1740 175.4811 43 T 4.7598 8.9241 111.7674 59.6092 72.0806 174.3800 44 R 3.8563 8.8461 122.4550 60.2642 30.0422 179.2064 45 K 3.9924 7.6184 117.1643 57.6124 31.8820 179.7298 46 E 4.3359 8.0447 116.7577 57.4237 29.8948 176.4675 47 S 4.6914 7.7688 114.9810 58.4147 63.4196 173.9361 48 V 4.3924 9.0281 125.8378 61.2829 34.3001 174.1038 49 A 4.7645 8.5264 129.8651 50.5688 21.4395 174.2019 50 N 4.7420 8.4478 119.6025 52.2836 40.6192 174.8072 51 A 3.9539 8.6866 119.5351 55.8242 18.4630 179.6837 52 N 4.5006 8.3376 112.0409 55.7191 38.9555 175.9412 53 T 4.3156 7.8434 107.7711 60.8565 69.1150 174.8207 54 D 4.4287 8.7774 120.3850 55.6454 38.7875 174.9861 55 G 3.7504 8.2017 105.8378 45.3414 0.0000 174.7708 56 F 4.2781 7.1057 117.7739 57.3131 39.4562 174.4188 57 D 4.6840 8.7052 123.6673 53.4694 41.7550 176.0535 58 F 5.4108 8.6961 122.0492 55.9768 42.7623 174.1864 59 N 5.4982 8.6366 115.9766 51.5906 42.8778 173.7324 60 L 5.3968 8.8686 123.0958 53.5289 44.9078 175.5688 61 L 4.9859 9.0832 125.6051 53.2535 45.5740 175.3879 62 T 4.6438 8.4399 118.2716 61.9114 70.4855 173.8081 63 I 4.4887 7.7896 127.9724 59.0912 38.3681 176.0478 64 N 4.6119 8.5289 126.7373 51.6883 37.2999 174.5004 *73 F 4.6646 8.0076 118.3022 56.6769 40.4076 173.5703 74 N 5.1535 8.8287 115.8247 51.2825 41.7966 174.2524 75 A 4.8531 8.7094 122.8446 50.3069 22.1955 174.6652 76 L 5.2063 9.0606 125.6921 54.2380 43.8649 175.5056 77 F 5.5567 9.1836 120.5481 55.3206 42.0945 172.7663 78 Y 5.0162 9.0596 121.0930 55.8001 41.6468 174.2417 79 L 4.5372 7.7235 128.1348 52.9151 43.1815 175.1963 80 N 4.1638 8.6323 126.2322 53.7409 39.6476 175.7444 81 K 4.0461 8.6695 123.6553 57.7480 33.1750 176.6625 82 Q 4.3142 7.4919 117.4483 53.3613 30.2698 173.0872 83 P 4.5906 0.0000 0.0000 61.1015 32.9023 175.8104 84 E 4.4320 8.3723 117.4707 56.0365 29.3480 176.7267 85 L 4.7141 7.9723 123.1338 53.4337 46.7140 174.4776 86 Y 4.8022 8.4939 121.3204 56.5960 39.9537 174.5815 87 F 5.2787 9.2678 122.7910 55.6078 42.1760 174.5815 88 V 4.9275 9.0511 123.6352 59.7880 34.7244 174.6111 89 V 4.9844 8.8729 124.5703 61.3625 33.8102 174.3807 90 T 5.4273 9.0207 118.7466 60.7641 71.7492 173.4833 91 F 5.0088 8.5630 116.9320 56.5164 41.5692 172.6828 92 A 4.6739 8.6582 125.7847 51.9961 18.7218 176.9058 93 E 4.1382 8.6719 115.5027 56.8494 30.2733 176.9593 94 Q 4.3977 8.5637 122.1436 56.3694 29.5667 176.1496 95 T 4.8204 8.2152 111.2093 58.9506 73.7183 174.9919 96 L 3.9864 8.4022 120.0236 58.1537 41.5914 179.6963 97 E 3.9885 8.1166 117.8877 59.3385 29.4761 179.0382 98 L 3.9790 7.9846 120.3457 58.0509 42.1171 178.6177 99 N 4.2028 8.2157 116.4967 55.9981 38.3118 177.3028 100 Q 3.8727 7.9490 120.7155 59.0650 29.3854 177.4301 101 E 3.9102 8.0539 120.6243 59.6992 29.6472 179.0229 102 T 3.6752 7.7691 109.5989 64.7817 68.7330 176.5970 103 Q 4.0769 7.7936 120.7129 58.8954 28.8662 178.7946 104 Q 4.2255 8.3650 119.1402 59.0064 28.6667 178.8823 105 T 3.8560 8.1055 117.2588 66.5459 68.5932 176.4875 106 L 3.8327 7.9673 122.0512 57.9720 42.0163 178.8640 107 A 4.1390 8.0316 120.4741 54.7078 18.1927 179.5045 108 L 3.8842 7.8290 118.6861 58.3742 42.1852 179.1025 109 V 3.8495 7.7895 118.2466 66.3537 31.3329 178.0347 110 L 3.6454 7.6569 118.1778 57.4927 41.4304 179.6357 111 K 4.0786 8.0972 118.5678 59.3571 31.7858 179.2076 112 L 4.0791 8.1923 119.9505 57.8284 42.4544 178.2930 113 W 4.2828 8.8485 128.7967 60.8430 30.3886 177.6092 114 N 4.5814 8.7241 116.1060 55.5690 37.8429 177.4638 115 S 4.2656 7.9436 114.7812 60.2175 63.2640 175.3943 116 L 4.4221 7.2315 119.9543 53.3190 42.2783 175.6685 117 H 4.5749 7.3572 113.5909 55.5344 27.3587 177.3579 118 L 3.6865 7.3692 120.0293 57.7109 41.4503 178.9022 119 S 4.3492 7.9327 114.6888 61.6506 63.0058 176.3408 120 E 4.0006 8.1768 120.7616 59.6214 29.2922 179.3602 121 S 4.1305 7.9516 114.9150 61.7233 62.6344 176.9317 122 I 3.7322 7.4152 120.9423 64.3386 36.6551 178.1988 123 L 4.2152 7.9715 121.9273 58.2848 41.4578 180.3509 124 K 4.0328 8.1235 123.6848 59.9064 31.4723 180.8676 125 N 4.6673 8.1169 116.2947 55.4882 38.5130 177.0100 126 R 4.1628 7.4710 117.2999 56.2963 30.5543 176.1983 127 Q 4.2596 7.5504 119.1670 55.4520 29.9760 177.3092 128 G 3.8730 8.4403 112.5509 45.6185 0.0000 172.4803 129 Q 4.4079 8.2954 115.4053 56.5931 29.8738 177.5565 130 N 4.3728 8.1941 114.8201 55.7098 38.6906 175.4634 131 E 4.4826 7.9170 114.7483 55.7622 30.0002 176.2459 132 K 4.2666 7.6624 119.7078 56.4317 32.8403 176.8384 133 N 4.8839 8.6605 120.5841 51.2097 39.5717 175.6464 134 K 4.0782 8.5558 116.1965 59.8907 32.6496 176.9772 135 H 4.6357 8.3931 116.4066 55.3206 28.4414 174.4242 136 N 4.2728 8.2296 116.2608 54.8073 37.7942 173.0275 137 Y 4.6706 8.0316 115.7047 55.0470 41.3909 174.6161 138 V 3.9281 7.4561 126.4467 61.3916 31.2009 174.6495 139 D 4.5905 8.2456 128.1137 53.3646 41.6893 176.9650 140 I 3.8244 8.4797 127.0610 64.1132 38.1632 176.4237 141 L 4.2555 7.7905 117.3541 55.0241 41.0607 176.4274 142 Q 3.9287 8.5679 123.0961 56.7672 28.8337 176.6282 143 G 3.9622 8.8991 113.1365 46.4699 0.0000 173.7328 144 I 4.2774 7.1924 112.1298 60.4057 37.6905 176.7828 145 E 3.9671 8.1339 125.2716 60.5536 29.3189 179.1212 146 D 4.3704 7.9599 120.5184 58.5251 40.0697 179.7578 147 D 4.4789 8.0041 120.0844 57.0879 40.6646 178.6453 148 L 3.9341 8.0470 123.3923 58.6151 42.1225 179.8306 149 K 4.1300 8.0683 126.0874 60.0162 31.3538 182.0761 150 K 4.2435 7.5981 122.8416 59.8299 31.8044 182.6260 151 F 4.1125 7.9624 121.8539 61.0690 39.0495 176.8453 152 E 3.8339 8.1330 117.3084 59.6407 29.4651 178.8286 153 Q 4.4153 7.6133 113.6615 56.5075 29.6635 176.4953 154 Y 4.8540 7.5989 118.9062 56.5935 37.8301 175.5738 155 F 4.0737 7.8115 122.7323 58.0517 40.0557 174.7923 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.53 4.94 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 2 F 8.35 4.73 0.00 3.52 3.02 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 3 D 9.85 4.60 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.85 5.27 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.53 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 5 L 9.19 5.52 0.00 2.12 1.87 1.15 1.20 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 6 A 9.29 5.22 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 7 V 8.93 4.53 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 -0.42 0.00 0.00 0.69 0.00 0.00 8 F 8.29 5.50 0.00 3.16 3.01 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 9 T 8.75 4.62 4.45 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 1.27 0.00 0.00 10 P 0.00 4.49 0.00 2.17 2.35 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 11 Q 8.15 4.14 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 12 G 8.49 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 13 Q 7.97 4.23 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 14 V 8.40 4.47 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 0.66 0.00 0.00 0.87 0.00 0.00 *15 L 8.73 4.39 0.00 1.47 1.56 0.92 0.81 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 16 Y 7.63 5.03 0.00 3.18 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 17 Q 7.45 4.54 0.00 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.44 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 18 Y 8.64 4.88 0.00 2.70 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 19 N 8.55 5.00 0.00 2.81 2.67 0.00 0.00 7.22 7.65 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 20 C 8.21 3.57 0.00 2.62 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 21 L 7.93 4.31 0.00 1.73 1.58 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.77 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 23 K 7.44 4.12 0.00 2.12 1.69 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.25 7.81 24 K 8.51 3.82 0.00 1.70 1.72 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.40 7.81 25 F 8.76 3.90 0.00 2.99 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 26 S 7.45 4.36 0.00 3.62 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 27 E 8.52 3.84 0.00 2.00 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 2.50 2.37 0.00 28 I 7.67 3.62 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.86 0.00 0.00 29 Q 7.79 3.71 0.00 1.71 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 30 I 7.14 3.87 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.81 0.00 0.00 31 N 8.51 4.27 0.00 2.80 2.80 0.00 0.00 7.02 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 32 S 8.24 4.18 0.00 4.31 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 0.00 33 F 8.31 4.24 0.00 3.25 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 34 I 7.53 2.87 1.60 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.40 0.63 0.00 0.00 35 S 7.95 4.02 0.00 3.89 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 36 Q 7.90 3.90 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 37 L 7.44 3.91 0.00 1.26 1.28 1.07 0.53 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 38 I 7.47 3.81 1.95 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 1.45 0.65 0.87 0.00 0.00 39 T 7.63 4.25 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 1.19 0.00 0.00 40 S 7.92 4.55 0.00 3.80 3.76 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 41 P 0.00 4.50 0.00 2.07 2.02 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 42 V 8.18 4.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 43 T 8.92 4.76 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 1.24 0.00 0.00 44 R 8.85 3.86 0.00 1.84 2.00 0.00 3.37 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 45 K 7.62 3.99 0.00 1.86 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.30 7.81 46 E 8.04 4.34 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 S 7.77 4.69 0.00 3.92 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 48 V 9.03 4.39 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 1.03 0.00 0.00 1.03 0.00 0.00 49 A 8.53 4.76 1.15 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 50 N 8.45 4.74 0.00 2.84 2.90 0.00 0.00 6.46 7.31 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 51 A 8.69 3.95 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 52 N 8.34 4.50 0.00 2.93 2.93 0.00 0.00 7.04 7.15 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 53 T 7.84 4.32 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 1.19 0.00 0.00 54 D 8.78 4.43 0.00 3.05 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 55 G 8.20 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.11 4.28 0.00 2.57 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 57 D 8.71 4.68 0.00 2.62 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 58 F 8.70 5.41 0.00 3.06 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 59 N 8.64 5.50 0.00 1.96 2.64 0.00 0.00 6.81 6.54 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 60 L 8.87 5.40 0.00 1.72 1.60 1.14 0.87 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 61 L 9.08 4.99 0.00 1.81 1.57 1.34 0.60 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 62 T 8.44 4.64 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 1.14 0.00 0.00 63 I 7.79 4.49 0.56 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 1.13 0.82 0.00 0.00 64 N 8.53 4.61 0.00 2.56 2.75 0.00 0.00 7.15 7.45 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 *73 F 8.01 4.66 0.00 3.17 3.13 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 74 N 8.83 5.15 0.00 1.44 1.82 0.00 0.00 7.06 7.28 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 75 A 8.71 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.06 5.21 0.00 2.03 1.63 1.13 0.43 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 77 F 9.18 5.56 0.00 3.35 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 78 Y 9.06 5.02 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.72 4.54 0.00 1.53 1.29 0.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.63 4.16 0.00 3.02 2.83 0.00 0.00 6.88 5.70 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 81 K 8.67 4.05 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.34 7.81 82 Q 7.49 4.31 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 83 P 0.00 4.59 0.00 2.22 2.12 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 84 E 8.37 4.43 0.00 1.98 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 2.41 0.00 85 L 7.97 4.71 0.00 1.52 1.10 1.03 0.80 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 86 Y 8.49 4.80 0.00 1.43 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 0.00 0.00 0.00 87 F 9.27 5.28 0.00 2.87 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 88 V 9.05 4.93 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 1.08 0.00 0.00 0.59 0.00 0.00 89 V 8.87 4.98 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 0.70 0.00 0.00 0.67 0.00 0.00 90 T 9.02 5.43 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 1.31 0.00 0.00 91 F 8.56 5.01 0.00 3.21 3.25 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 92 A 8.66 4.67 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.67 4.14 0.00 2.00 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 2.41 0.00 94 Q 8.56 4.40 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.80 2.39 0.00 95 T 8.22 4.82 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 1.27 0.00 0.00 96 L 8.40 3.99 0.00 1.73 1.78 0.94 0.89 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 97 E 8.12 3.99 0.00 2.08 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 2.42 2.44 0.00 98 L 7.98 3.98 0.00 1.85 1.73 1.06 0.96 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 99 N 8.22 4.20 0.00 3.05 2.89 0.00 0.00 6.65 7.44 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 0.00 100 Q 7.95 3.87 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 101 E 8.05 3.91 0.00 2.21 1.90 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 2.37 2.37 0.00 102 T 7.77 3.68 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 0.46 0.00 0.00 103 Q 7.79 4.08 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 104 Q 8.36 4.23 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 105 T 8.11 3.86 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 106 L 7.97 3.83 0.00 1.46 1.29 0.75 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.03 4.14 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.83 3.88 0.00 1.89 1.95 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.79 3.85 2.32 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 1.50 0.00 0.00 1.36 0.00 0.00 110 L 7.66 3.65 0.00 1.22 0.85 -0.66 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.10 4.08 0.00 2.00 1.94 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.74 1.90 7.81 112 L 8.19 4.08 0.00 1.74 2.15 1.10 1.15 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 W 8.85 4.28 0.00 3.60 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.72 4.58 0.00 2.94 2.91 0.00 0.00 6.84 8.12 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 0.00 115 S 7.94 4.27 0.00 4.08 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 0.00 116 L 7.23 4.42 0.00 1.58 1.47 0.92 0.89 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 0.00 117 H 7.36 4.57 0.00 3.36 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.37 3.69 0.00 0.27 0.47 -0.54 0.20 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 0.00 119 S 7.93 4.35 0.00 4.05 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 0.00 120 E 8.18 4.00 0.00 2.07 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 2.44 2.51 0.00 121 S 7.95 4.13 0.00 3.96 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 0.00 122 I 7.42 3.73 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.58 0.95 0.00 0.00 123 L 7.97 4.22 0.00 1.86 1.73 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.12 4.03 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 125 N 8.12 4.67 0.00 2.67 2.87 0.00 0.00 7.12 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 0.00 126 R 7.47 4.16 0.00 1.95 1.95 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 127 Q 7.55 4.26 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 128 G 8.44 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 0.00 0.00 0.00 129 Q 8.30 4.41 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 130 N 8.19 4.37 0.00 2.70 2.87 0.00 0.00 6.89 7.66 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 0.00 131 E 7.92 4.48 0.00 2.04 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 2.22 2.38 0.00 132 K 7.66 4.27 0.00 1.90 1.76 0.00 1.69 0.00 0.00 2.05 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.36 7.81 133 N 8.66 4.88 0.00 3.00 3.04 0.00 0.00 6.70 6.42 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 0.00 134 K 8.56 4.08 0.00 1.84 1.98 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.25 7.81 135 H 8.39 4.64 0.00 3.36 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.23 4.27 0.00 2.89 2.95 0.00 0.00 6.77 7.50 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 0.00 137 Y 8.03 4.67 0.00 3.03 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 0.00 138 V 7.46 3.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.86 0.00 0.00 139 D 8.25 4.59 0.00 2.95 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 0.00 140 I 8.48 3.82 1.90 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 1.46 0.95 1.02 0.00 0.00 141 L 7.79 4.26 0.00 1.66 1.70 0.96 1.13 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 0.00 142 Q 8.57 3.93 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.97 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 143 G 8.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.19 4.28 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.83 0.00 0.00 145 E 8.13 3.97 0.00 2.15 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 1.95 0.00 146 D 7.96 4.37 0.00 2.72 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 0.00 147 D 8.00 4.48 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.05 3.93 0.00 2.01 1.68 0.75 0.87 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 0.00 149 K 8.07 4.13 0.00 1.75 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 150 K 7.60 4.24 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.31 7.81 151 F 7.96 4.11 0.00 2.97 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 0.00 152 E 8.13 3.83 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 153 Q 7.61 4.42 0.00 2.64 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.41 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 154 Y 7.60 4.85 0.00 2.59 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 7.81 4.07 0.00 2.95 2.39 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 * Residues marked with a * may have inaccurate shift predictions.