NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5063 8.1733 122.0763 56.2830 34.1916 173.9743 3 K 4.9588 9.4958 127.6999 54.5371 34.2359 170.3362 4 V 4.7236 8.8141 118.9168 59.4595 35.2351 174.4669 5 V 4.8976 8.5966 125.2813 61.4834 33.3691 174.7513 6 V 4.9942 8.5663 120.9312 59.7032 34.1286 175.5047 7 V 4.4934 8.7693 117.4358 59.4840 35.8802 175.4494 8 G 4.4679 8.2413 107.2251 46.3573 0.0000 171.8721 9 Y 4.6601 7.8978 116.7933 59.0781 39.1022 176.6738 10 S 5.1058 8.7190 116.4812 56.2032 66.5427 172.6233 11 G 3.8551 9.9665 106.6220 43.7189 0.0000 171.1617 12 P 4.5362 0.0000 0.0000 62.5802 31.4793 177.8721 13 V 3.6210 8.4838 122.5573 65.4377 31.6348 176.0580 14 N 4.6889 8.0465 114.5287 52.8639 37.9501 174.1333 15 K 4.6906 7.6252 118.3211 54.2721 36.1512 175.7553 16 S 4.7680 8.6038 115.5033 57.9373 63.0965 172.9705 17 P 4.6768 0.0000 0.0000 63.0132 31.8717 177.7170 18 V 3.8200 7.2852 120.6549 64.6113 31.6437 178.2508 19 S 4.2178 8.1620 115.3511 61.4769 62.7057 176.3086 20 E 4.1252 8.2435 121.2806 58.0665 29.1181 177.9648 21 L 4.7267 7.4391 118.3603 54.6794 42.1920 178.4300 22 R 3.8623 7.9771 120.4929 59.7610 29.8641 178.1513 23 D 4.3726 8.0949 118.2339 57.4280 40.8261 178.8622 24 I 3.7176 7.7137 112.9604 64.2536 37.6084 177.8384 25 C 4.1160 8.1846 118.5558 62.5560 27.9810 176.1829 26 L 3.9770 8.1974 120.7931 57.5888 41.1156 179.1696 27 E 3.9250 8.5073 119.7076 59.0513 29.6011 178.5269 28 L 4.0381 8.2936 120.8689 58.1270 42.1652 179.2280 29 G 3.5905 8.0486 105.5429 47.8946 0.0000 175.9036 30 R 4.0468 8.0557 120.8542 59.3128 30.1110 179.3268 31 T 3.9684 8.1506 115.6469 66.5729 68.3843 176.7628 32 L 4.2373 8.1345 120.7457 57.6713 41.5895 179.3460 33 A 3.9676 7.9859 120.6403 55.3094 18.1801 179.7991 34 K 3.8502 8.2454 115.8685 59.4259 32.2141 178.9355 35 K 4.1183 7.8412 116.0333 56.3552 32.1400 177.8740 36 G 3.7848 7.8508 107.8556 45.6835 0.0000 173.2903 37 Y 4.6920 7.3325 116.6580 57.3294 39.1744 174.9504 38 L 4.4455 9.0597 125.6237 54.3739 43.6030 175.3715 39 V 4.9436 8.3703 126.4728 61.6692 33.5210 174.5253 40 F 5.8380 9.2967 125.6792 55.0924 42.8017 173.7855 41 N 5.1296 8.5099 117.9066 51.7263 40.6378 175.2867 42 G 3.7889 8.9287 105.5262 45.9293 0.0000 175.7520 43 G 4.0781 8.9029 108.0987 46.0750 0.0000 174.7435 44 R 4.6947 7.4563 124.4116 56.4527 30.9042 174.3479 45 D 5.0199 8.6702 127.5537 53.0267 40.5621 176.1349 46 G 3.6940 8.5028 106.9166 46.4674 0.0000 176.2697 47 V 3.9308 8.5786 119.9726 62.7627 31.1856 177.8840 *49 E 4.3589 8.4135 119.8349 55.8456 31.4616 177.5534 50 L 3.8849 7.7425 118.2924 57.7373 41.5928 179.7031 51 V 3.7856 8.0149 118.3487 66.0200 31.3596 178.3057 52 S 4.1042 7.9537 114.4897 61.5521 62.7580 176.0827 53 Q 3.2203 7.9750 122.5278 58.9826 28.4701 178.8016 54 G 3.6021 7.9647 106.5580 47.6323 0.0000 175.9381 55 V 3.7319 7.7099 120.4753 65.9977 31.5835 178.4608 56 R 3.9713 8.2357 118.1182 59.1292 29.6447 178.6688 57 E 3.9728 8.3582 117.8345 59.4096 29.5983 178.5581 58 A 4.4388 7.5281 117.1426 51.7300 18.6318 177.8969 59 G 3.7643 8.2209 106.4755 46.3044 0.0000 174.3702 60 G 4.0203 8.1782 107.8056 45.5372 0.0000 173.3728 61 T 4.9015 8.2954 115.8316 61.6011 71.2068 174.5079 62 V 4.7807 8.6352 124.7732 59.9541 34.8745 174.2783 63 V 4.5195 8.8787 125.7690 60.8268 33.8372 174.2700 64 G 4.3653 8.8503 115.2210 44.6698 0.0000 172.4169 65 I 4.9027 8.6183 125.4966 59.6600 38.9466 174.5687 66 L 4.7811 8.9134 128.4225 52.4483 43.1234 175.3011 67 P 4.1871 0.0000 0.0000 63.6063 32.5612 176.7118 68 D 4.1185 8.9509 121.5954 56.0262 40.0062 174.9291 69 E 4.8935 8.3607 117.0877 56.7452 30.1225 175.6378 70 E 4.1048 7.5742 117.7630 56.6995 30.4332 177.4816 71 A 4.1780 8.6004 121.9181 53.4666 19.5826 179.2872 72 G 4.0989 8.0451 98.4895 45.3293 0.0000 172.8500 73 N 4.5717 8.8044 117.8337 51.8795 37.9309 174.0826 74 P 4.4729 0.0000 0.0000 63.5992 30.8590 176.2821 75 Y 4.6867 8.0717 113.9974 57.9098 38.9325 175.9243 76 L 4.1841 7.4829 120.2677 54.7642 42.1872 177.4104 77 S 4.3625 8.9461 120.9532 61.1567 63.5218 175.2226 78 V 4.4940 7.5965 117.9825 61.0092 35.0843 173.6532 79 A 4.8662 8.6811 128.8760 50.1466 21.1863 175.5775 80 V 4.2404 8.9928 123.7786 61.1142 33.3167 175.2751 81 K 4.6323 8.6683 127.8406 56.5611 32.4803 177.0556 82 T 4.2781 8.1675 110.9863 60.2290 70.9606 175.2536 83 G 3.8591 8.2948 108.0606 45.6701 0.0000 172.6930 84 L 4.6912 7.5117 119.3473 52.1722 43.9488 176.1428 85 D 4.6781 8.2880 120.8493 52.5579 40.8248 176.3255 86 F 4.1833 8.8640 117.4226 61.2366 38.9382 178.8191 87 Q 4.2648 7.9326 114.6481 56.9087 28.0847 178.1111 *89 R 4.2757 8.0266 120.9601 56.5372 31.9291 177.7431 90 S 4.0703 7.8488 113.4487 61.6165 62.8140 176.6995 91 F 3.9820 8.0350 119.8771 60.1213 38.4203 177.9044 92 V 3.9479 7.7660 110.6169 63.3236 31.8672 177.8039 93 L 4.1226 7.7587 120.7864 58.1085 41.8483 178.9149 94 L 4.0063 8.1481 118.9930 57.5284 41.2665 179.4795 95 R 4.0553 7.4834 115.7317 58.0774 29.9190 176.7430 96 N 4.5177 7.4577 115.2398 52.6675 38.7309 174.3781 97 A 4.6614 7.3426 120.6875 50.5382 21.4253 176.8087 98 D 4.8626 8.5542 121.0806 55.2384 42.4935 177.3038 99 V 4.5243 7.2472 115.5131 60.5874 34.5228 172.3110 100 V 4.7958 8.8469 123.4706 61.1502 34.2916 174.1919 101 V 4.7773 8.8140 127.8048 61.1149 34.1632 173.9216 102 S 5.2371 8.7785 122.2902 56.5830 65.4369 172.7337 103 I 4.6152 8.2818 126.6811 59.2284 40.7260 175.3549 104 G 3.6172 10.0432 117.6100 46.5988 0.0000 175.6954 105 G 3.7604 5.3800 108.9482 46.8816 0.0000 172.2622 106 E 5.3217 8.1663 120.9454 55.0245 31.8754 176.0992 107 I 3.6048 8.8471 118.2503 65.3585 37.7986 178.9331 108 G 3.6069 8.0290 105.6932 48.3673 0.0000 175.6637 109 T 4.1287 8.0643 118.9679 65.3856 68.4228 176.6463 110 A 3.6055 7.4589 122.5829 55.0240 18.1533 179.7600 111 I 3.5507 7.6307 118.4402 64.4569 36.7070 178.6088 112 E 3.7185 8.0737 119.4991 59.1341 29.2735 179.4560 113 I 3.6812 7.7656 119.9443 64.4318 37.2160 178.5470 114 L 4.1336 8.0037 119.9868 57.6079 41.5094 179.8580 115 G 3.7469 8.5491 105.9647 47.7465 0.0000 175.3732 116 A 4.0282 8.4053 123.9599 55.2659 18.4802 179.1555 117 Y 3.9670 8.0145 117.1142 60.8077 38.6831 178.0516 118 A 4.0331 8.1893 120.5736 54.2992 18.5632 178.5375 119 L 4.4176 7.5889 114.9337 54.2768 42.1022 177.2962 120 G 3.7340 7.5803 106.8339 45.7313 0.0000 173.1255 121 K 4.5811 7.9700 119.6343 53.5865 33.3160 175.0732 122 P 4.4707 0.0000 0.0000 62.9759 32.7662 175.2438 123 V 4.8719 8.1908 121.9374 61.1702 34.7905 174.1745 124 I 4.9170 9.1421 128.4126 59.5241 39.9638 174.5058 125 L 4.4622 9.0016 128.6489 53.9360 43.0748 176.2390 126 L 4.6681 8.2283 127.1523 53.3893 41.6139 176.2909 127 R 3.7372 8.1880 125.3772 56.7978 30.8114 178.0815 128 G 4.0815 9.0704 109.7925 45.9576 0.0000 174.4839 129 T 4.1972 7.2076 107.7759 60.8362 69.4958 176.6575 130 G 3.8684 8.9508 113.3779 46.2390 0.0000 174.0137 131 G 3.7346 8.3656 106.8050 46.6855 0.0000 175.7864 132 W 4.1623 8.6995 119.4569 59.1618 28.8891 178.4603 133 T 3.8578 7.4186 115.8372 66.3688 68.2163 175.6584 134 D 4.4458 7.8194 119.9642 56.6318 41.4849 178.5661 135 R 3.7339 7.6932 119.0493 59.4271 29.5330 178.3009 136 I 4.0723 8.3776 118.3354 63.2958 37.7733 177.3360 137 S 4.3300 7.7913 113.3522 60.3685 63.2015 175.1848 138 Q 4.4476 7.7039 120.1967 56.2656 28.7197 176.0627 139 V 4.5391 7.2235 112.2015 60.8580 33.1325 175.4987 140 L 4.3866 7.9620 119.6790 54.4010 42.3745 176.6390 141 I 4.0967 8.9319 124.6209 61.7919 38.0402 175.9602 142 D 4.5225 9.5697 124.2947 55.2987 38.3378 174.6984 143 G 3.9566 8.5515 103.2928 46.2120 0.0000 175.0886 144 K 4.3012 7.5976 116.1631 55.6048 36.6118 175.6669 145 Y 5.0793 8.0356 116.2046 56.2548 40.5327 176.0794 146 L 4.3166 7.2309 120.2364 54.3540 42.6503 176.0273 147 D 4.5065 7.2302 116.3879 52.6560 41.2514 176.3169 148 N 4.6429 8.9629 115.3559 54.8369 38.1122 175.9573 149 R 4.2673 8.3796 116.7994 55.6112 31.2383 176.3319 150 R 3.4780 8.0742 117.1202 56.4328 28.1424 176.8199 151 I 3.7058 7.4489 121.1114 63.8652 37.5682 177.3420 152 V 4.5837 6.9859 115.6512 60.0067 33.6532 173.0612 153 E 4.0676 8.7882 122.5483 56.3427 30.9690 175.5943 154 I 4.5599 8.2832 128.3266 60.2688 37.8196 175.4229 155 H 4.5948 9.4056 125.3851 55.4765 30.2929 174.7279 156 Q 5.0189 8.5006 117.9508 54.2623 32.1903 174.8138 157 A 4.9786 8.6566 123.3126 49.3796 22.9596 176.5423 158 W 4.6094 8.9792 119.3708 56.6226 29.9188 176.6876 159 T 4.7215 7.3579 114.2581 61.0279 73.2277 174.5314 160 V 3.5768 8.4115 123.5452 66.3131 31.5309 178.0536 161 E 3.9627 8.2252 118.4944 59.2922 29.0679 178.3039 162 E 3.9448 8.0992 118.6861 58.9914 29.9440 178.2831 163 A 3.9917 8.2416 121.2470 55.4634 18.5464 179.9521 164 V 3.6198 7.9576 116.3650 65.8363 31.5091 178.0321 165 Q 4.1654 7.9091 119.8087 59.2546 28.6810 178.2434 166 I 3.7356 7.5081 119.7095 64.2768 36.8815 178.1840 167 I 3.7600 7.6351 120.4195 64.3370 36.8174 178.3159 168 E 4.1543 8.3276 119.3854 59.4934 29.0959 179.2382 169 Q 4.1736 7.9286 112.8066 55.9717 28.4659 176.5808 170 I 3.9410 7.6678 126.9651 60.8756 37.9463 173.5221 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 2 K 8.17 4.51 0.00 2.07 2.21 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.53 7.81 3 K 9.50 4.96 0.00 1.79 1.75 0.00 1.48 0.00 0.00 1.24 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.55 7.81 4 V 8.81 4.72 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 0.43 0.00 0.00 0.91 0.00 0.00 5 V 8.60 4.90 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 1.01 0.00 0.00 0.89 0.00 0.00 6 V 8.57 4.99 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 0.75 0.00 0.00 0.95 0.00 0.00 7 V 8.77 4.49 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 0.71 0.00 0.00 0.87 0.00 0.00 8 G 8.24 4.47 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 0.00 0.00 0.00 9 Y 7.90 4.66 0.00 2.93 2.80 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 10 S 8.72 5.11 0.00 4.04 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 11 G 9.97 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 12 P 0.00 4.54 0.00 2.46 2.21 0.00 3.68 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 2.05 1.94 0.00 13 V 8.48 3.62 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 0.87 0.00 0.00 1.00 0.00 0.00 14 N 8.05 4.69 0.00 2.85 2.91 0.00 0.00 5.80 7.13 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 15 K 7.63 4.69 0.00 1.70 1.67 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 16 S 8.60 4.77 0.00 3.79 3.71 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 17 P 0.00 4.68 0.00 1.71 1.85 0.00 3.36 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.90 0.00 18 V 7.29 3.82 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 0.88 0.00 0.00 0.95 0.00 0.00 19 S 8.16 4.22 0.00 4.07 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 0.00 20 E 8.24 4.13 0.00 2.08 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 2.40 2.46 0.00 21 L 7.44 4.73 0.00 1.99 1.70 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.98 3.86 0.00 2.08 1.92 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 23 D 8.09 4.37 0.00 2.74 2.72 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 0.00 0.00 0.00 24 I 7.71 3.72 1.88 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 1.72 0.99 0.93 0.00 0.00 25 C 8.18 4.12 0.00 3.22 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 26 L 8.20 3.98 0.00 1.81 1.68 0.89 1.04 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 27 E 8.51 3.93 0.00 2.10 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 2.32 2.32 0.00 28 L 8.29 4.04 0.00 1.84 1.85 0.92 1.23 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 29 G 8.05 3.59 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 0.00 30 R 8.06 4.05 0.00 1.88 1.98 0.00 3.12 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 1.83 1.97 0.00 31 T 8.15 3.97 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 1.26 0.00 0.00 32 L 8.13 4.24 0.00 1.93 1.89 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.99 3.97 1.41 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 34 K 8.25 3.85 0.00 1.68 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.77 7.81 35 K 7.84 4.12 0.00 1.37 1.27 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.66 7.81 36 G 7.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.33 4.69 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.06 4.45 0.00 1.88 1.74 0.96 1.32 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 39 V 8.37 4.94 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 0.94 0.00 0.00 1.01 0.00 0.00 40 F 9.30 5.84 0.00 3.01 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 41 N 8.51 5.13 0.00 2.83 2.97 0.00 0.00 6.07 6.92 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 42 G 8.93 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 0.00 0.00 0.00 43 G 8.90 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.46 4.69 0.00 1.85 1.87 0.00 3.49 0.00 0.00 3.54 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 45 D 8.67 5.02 0.00 2.90 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 46 G 8.50 3.69 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 0.00 0.00 0.00 47 V 8.58 3.93 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 1.01 0.00 0.00 1.05 0.00 0.00 *49 E 8.41 4.36 0.00 2.16 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 2.47 2.65 0.00 50 L 7.74 3.88 0.00 1.70 1.67 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.01 3.79 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 1.04 0.00 0.00 1.02 0.00 0.00 52 S 7.95 4.10 0.00 4.15 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 53 Q 7.98 3.22 0.00 1.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.15 1.42 0.00 54 G 7.96 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 55 V 7.71 3.73 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 1.07 0.00 0.00 0.99 0.00 0.00 56 R 8.24 3.97 0.00 1.89 2.03 0.00 3.39 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 57 E 8.36 3.97 0.00 2.12 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 2.34 2.31 0.00 58 A 7.53 4.44 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 59 G 8.22 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 0.00 0.00 0.00 60 G 8.18 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 61 T 8.30 4.90 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 1.15 0.00 0.00 62 V 8.64 4.78 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 0.88 0.00 0.00 0.94 0.00 0.00 63 V 8.88 4.52 0.68 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 0.69 0.00 0.00 0.58 0.00 0.00 64 G 8.85 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 65 I 8.62 4.90 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.95 0.00 0.00 66 L 8.91 4.78 0.00 1.55 1.54 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.19 0.00 1.27 1.65 0.00 3.78 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 1.93 1.60 0.00 68 D 8.95 4.12 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.60 4.49 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 1.03 0.00 0.00 0.89 0.00 0.00 79 A 8.68 4.87 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 80 V 8.99 4.24 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 0.99 0.00 0.00 0.95 0.00 0.00 81 K 8.67 4.63 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.42 7.81 82 T 8.17 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 1.27 0.00 0.00 83 G 8.29 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 84 L 7.51 4.69 0.00 1.73 1.54 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.29 4.68 0.00 2.83 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 86 F 8.86 4.18 0.00 3.16 3.20 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 87 Q 7.93 4.26 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.39 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 *89 R 8.03 4.28 0.00 1.87 2.19 0.00 3.36 0.00 0.00 3.55 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 90 S 7.85 4.07 0.00 3.96 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.04 3.98 0.00 3.12 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 92 V 7.77 3.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 93 L 7.76 4.12 0.00 1.95 1.79 0.90 0.73 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 94 L 8.15 4.01 0.00 1.82 1.67 0.62 1.14 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 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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 0.96 0.93 0.00 0.00 104 G 10.04 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 0.00 105 G 5.38 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 0.00 0.00 0.00 106 E 8.17 5.32 0.00 2.10 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 2.64 2.35 0.00 107 I 8.85 3.60 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.89 0.00 0.00 108 G 8.03 3.61 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 0.00 109 T 8.06 4.13 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 1.16 0.00 0.00 110 A 7.46 3.61 0.05 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 0.00 111 I 7.63 3.55 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.92 0.00 0.00 112 E 8.07 3.72 0.00 2.04 1.85 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 2.09 2.33 0.00 113 I 7.77 3.68 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.86 0.00 0.00 114 L 8.00 4.13 0.00 1.79 1.73 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.55 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 0.00 116 A 8.41 4.03 1.41 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 0.00 117 Y 8.01 3.97 0.00 3.05 3.18 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 0.00 118 A 8.19 4.03 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 0.00 119 L 7.59 4.42 0.00 1.82 1.72 1.04 0.86 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 0.00 120 G 7.58 3.73 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 0.00 0.00 0.00 121 K 7.97 4.58 0.00 1.71 1.73 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.49 7.81 122 P 0.00 4.47 0.00 2.11 2.22 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 2.12 1.95 0.00 123 V 8.19 4.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 124 I 9.14 4.92 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 1.16 0.77 0.86 0.00 0.00 125 L 9.00 4.46 0.00 1.39 1.44 0.88 0.30 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 0.00 126 L 8.23 4.67 0.00 1.61 1.60 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.19 3.74 0.00 0.67 0.66 0.00 3.10 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.00 128 G 9.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.21 4.20 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 1.28 0.00 0.00 130 G 8.95 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 0.00 131 G 8.37 3.73 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 0.00 0.00 0.00 132 W 8.70 4.16 0.00 3.33 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 0.00 133 T 7.42 3.86 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 1.17 0.00 0.00 134 D 7.82 4.45 0.00 2.64 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 0.00 135 R 7.69 3.73 0.00 1.61 1.38 0.00 2.21 0.00 0.00 2.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.26 0.00 136 I 8.38 4.07 2.27 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.09 1.04 0.00 0.00 137 S 7.79 4.33 0.00 4.09 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 0.00 138 Q 7.70 4.45 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.41 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 139 V 7.22 4.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.07 0.00 0.00 140 L 7.96 4.39 0.00 1.61 1.61 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.93 4.10 2.01 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 1.33 0.76 0.99 0.00 0.00 142 D 9.57 4.52 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.55 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 K 7.60 4.30 0.00 0.79 0.92 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.37 7.81 145 Y 8.04 5.08 0.00 3.01 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 0.00 146 L 7.23 4.32 0.00 0.27 0.97 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.23 4.51 0.00 2.85 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 0.00 148 N 8.96 4.64 0.00 2.74 2.89 0.00 0.00 6.87 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 0.00 149 R 8.38 4.27 0.00 1.92 1.92 0.00 3.28 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 150 R 8.07 3.48 0.00 1.39 0.66 0.00 3.14 0.00 0.00 2.94 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 151 I 7.45 3.71 0.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.23 0.66 0.00 0.00 152 V 6.99 4.58 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 0.59 0.00 0.00 0.98 0.00 0.00 153 E 8.79 4.07 0.00 2.04 1.74 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 2.02 1.93 0.00 154 I 8.28 4.56 1.83 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 1.36 0.88 0.86 0.00 0.00 155 H 9.41 4.59 0.00 3.14 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.50 5.02 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 157 A 8.66 4.98 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 0.00 158 W 8.98 4.61 0.00 3.33 3.31 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 0.00 159 T 7.36 4.72 4.34 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 1.32 0.00 0.00 160 V 8.41 3.58 2.38 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 1.08 0.00 0.00 1.02 0.00 0.00 161 E 8.23 3.96 0.00 2.10 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 0.00 2.40 2.40 0.00 162 E 8.10 3.94 0.00 2.14 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 0.00 2.43 2.43 0.00 163 A 8.24 3.99 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 0.00 164 V 7.96 3.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 165 Q 7.91 4.17 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 166 I 7.51 3.74 1.99 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 1.53 0.83 0.77 0.00 0.00 167 I 7.64 3.76 1.90 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 1.35 1.19 0.51 0.00 0.00 168 E 8.33 4.15 0.00 2.23 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 2.51 2.75 0.00 169 Q 7.93 4.17 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.10 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 170 I 7.67 3.94 1.88 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 1.16 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.