NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3626 8.3349 115.4012 57.9918 64.0395 172.9729 4 I 3.4430 7.1814 121.7827 59.7886 38.4814 174.7598 5 S 4.5702 9.0027 118.6926 57.4497 65.3753 174.0892 6 E 4.0663 8.5353 120.6770 59.2008 29.7225 179.6497 7 K 3.7865 7.6101 116.7691 57.1231 31.7265 178.3313 *9 V 4.0160 7.8430 119.2314 62.3880 33.3177 177.1219 10 E 4.0057 8.2782 119.8679 59.0471 29.4559 178.5403 11 A 4.0035 8.1080 120.9757 55.1625 18.4001 179.5405 12 L 4.1212 7.7740 116.8251 57.6053 41.6622 179.1625 13 N 4.4933 8.3961 116.9397 56.2219 38.3983 177.6645 14 R 3.8303 8.2415 119.7345 59.2424 30.0979 178.8972 15 Q 3.9811 8.1368 119.3226 59.0076 29.0083 178.2007 16 I 3.8086 8.0764 121.1744 64.3256 37.1935 177.6761 17 N 4.3846 8.4020 117.6481 56.9377 38.7817 176.7374 18 A 4.3374 8.3554 122.1913 55.2138 18.5026 179.4491 19 E 4.1395 8.7344 117.7405 59.4288 29.5773 179.5101 20 I 3.8243 8.1156 120.1106 64.2458 37.2243 177.4931 21 Y 4.1699 8.6690 120.8384 61.0771 38.6063 178.2530 22 S 3.8699 8.3927 115.6506 61.7141 62.9032 176.8174 23 A 4.2366 7.8930 122.6682 55.6352 18.2672 179.1516 24 Y 4.4583 8.3358 118.0388 60.6491 38.5549 178.0421 25 L 3.6918 7.7210 121.1762 58.3155 42.2569 178.3821 26 Y 4.4542 7.3181 115.2815 60.7719 38.0721 177.7827 27 L 4.0213 8.4116 122.0410 57.8100 42.1907 179.4521 28 S 4.3247 7.8302 110.9100 58.5589 62.2151 175.6027 *30 A 4.5358 7.9600 124.2093 51.8594 20.4689 179.9311 31 S 4.1424 7.8793 109.4790 61.3423 61.8612 175.3176 32 Y 4.2551 8.2858 122.5249 61.2119 38.5165 178.5521 33 F 3.9769 8.0738 117.8108 60.3615 39.0518 176.9253 34 D 4.4135 8.2779 118.1038 57.4540 40.7907 178.5346 35 S 4.2954 7.9883 113.6275 60.0827 63.0490 175.4141 36 I 4.3305 6.8658 114.4289 60.2872 37.7217 176.3174 37 G 3.9156 7.8781 107.2570 46.7155 0.0000 175.8745 38 L 4.5227 7.7076 122.1284 53.6498 39.6638 177.1471 39 K 4.2881 8.1776 121.9319 58.1552 32.6222 178.6631 40 G 3.5820 8.5962 106.8374 47.4293 0.0000 175.9741 41 F 3.6452 8.3656 118.7533 60.3475 38.9986 176.9033 42 S 4.3857 8.0693 111.3634 61.8245 62.3200 175.5682 43 N 4.5803 8.0902 119.0162 55.9565 38.6758 176.7480 44 W 4.0350 7.9408 126.8056 58.6780 30.8432 177.3894 *46 R 4.3771 7.8759 117.6752 56.0294 31.6459 178.0394 47 V 3.6843 7.8817 116.9242 66.0731 31.3261 177.8857 48 Q 3.5850 8.2846 119.6690 58.3701 28.7164 178.0977 49 W 4.3212 8.0848 129.2249 60.7644 30.7324 177.9003 50 Q 3.4676 8.1985 116.8022 58.5353 28.1191 178.1212 51 E 3.9510 8.0169 119.9202 59.4138 29.9950 178.5403 52 E 4.0823 8.4815 118.9310 58.9673 29.2226 179.5689 53 L 3.9453 7.3166 116.6888 55.5150 42.0490 178.0417 *55 H 4.9377 8.1386 116.9320 56.1747 30.4283 176.3050 56 A 4.2078 8.0140 118.4030 52.7150 17.4714 177.6245 *58 K 4.1248 8.0428 118.2610 57.8748 33.6212 177.1114 *60 F 4.6828 7.9906 121.2067 57.8649 41.1726 176.7163 61 D 4.5759 8.2530 119.9102 57.0717 40.6403 178.3994 62 F 3.9262 8.1383 121.0183 60.9152 39.4307 177.2781 63 V 3.1587 7.6309 117.3818 66.2071 31.4172 177.8942 64 S 4.2088 7.5278 113.7265 60.6331 61.9318 175.6365 65 E 3.9217 7.7859 121.3866 58.7455 29.4595 178.3099 66 R 3.9342 7.2610 116.5762 56.8178 30.2667 177.3274 67 G 3.8550 7.6372 106.7195 44.8906 0.0000 173.9064 68 G 3.7574 7.7192 109.2962 44.3685 0.0000 172.5864 69 R 4.5133 7.9702 118.8441 53.8892 31.6085 175.1481 70 V 3.8562 7.9862 125.2297 61.7814 31.9790 174.6592 71 K 4.3759 8.3915 128.2106 54.4298 33.8193 175.0169 72 L 4.5173 8.0664 125.6620 53.6540 43.0582 175.3012 73 Y 4.7033 8.1662 118.6273 55.3821 41.1593 175.3125 74 A 4.0928 8.5841 123.5859 52.5877 18.8784 177.5678 75 V 4.3633 8.0474 119.9172 60.7614 32.2800 175.6528 76 E 4.1872 8.7264 126.9770 56.2073 29.9656 176.6691 77 E 4.2810 8.6964 123.0052 55.2750 30.0786 175.0935 78 P 4.7568 0.0000 0.0000 61.2636 32.3339 173.6538 79 P 4.3765 0.0000 0.0000 62.9281 31.6007 176.0727 80 S 4.5664 7.5164 108.1409 56.4698 64.9369 173.6322 81 E 4.5701 7.0676 119.1803 54.2211 32.7890 174.9060 82 W 4.9603 7.3720 119.0750 54.8701 33.1290 176.2506 83 D 4.6012 8.9627 120.6751 56.4826 40.7272 176.7534 84 S 4.8338 7.5475 111.1067 56.0053 66.0736 176.0267 85 P 4.4834 0.0000 0.0000 65.9362 30.9883 178.6836 86 L 4.0239 8.0250 118.3430 58.1491 41.9874 178.8305 87 A 4.0713 8.4545 120.6819 54.9312 18.2989 179.1001 88 A 3.2026 8.1679 119.5798 55.5779 18.2869 180.0907 89 F 3.9985 8.3502 115.6233 60.3472 38.8572 177.9048 90 E 4.1254 8.4256 118.7722 59.6162 29.1931 178.6433 91 H 4.2425 8.6548 118.5289 59.2653 29.9405 177.2374 92 V 3.7777 7.9975 120.1018 66.3421 31.3135 177.1452 93 Y 4.1930 8.4451 119.1445 61.0922 38.6761 178.1644 94 E 3.9657 8.6352 119.4369 59.6223 29.5599 178.9213 95 H 4.2989 8.8896 118.8428 59.3578 29.9321 177.2678 96 E 4.1905 9.0554 120.7856 59.2081 29.1286 179.4586 97 V 3.6155 7.9176 119.0466 65.9692 31.5341 177.7468 98 N 4.4588 8.1488 115.9849 55.6194 38.3764 177.6992 99 V 3.6168 7.7953 120.2859 66.0597 31.5398 177.8731 100 T 3.8025 8.0528 115.7375 66.7532 68.4601 176.3351 101 K 3.9015 7.7206 121.0023 59.4398 32.2338 178.7489 102 R 4.0411 7.9895 119.0999 59.4019 29.9441 178.4223 103 I 3.6987 7.7145 118.4598 64.4184 38.0197 177.4659 104 H 4.3172 8.3814 117.2998 59.1347 28.2530 177.6160 105 E 4.0568 7.8975 119.2569 59.1270 29.3893 178.7780 106 L 4.1624 7.8147 118.3995 57.8026 41.7534 179.5642 107 V 3.9087 7.5219 116.9510 65.9545 31.6140 179.0812 108 E 4.0854 8.0353 115.4684 56.7203 29.9589 177.4922 *110 A 4.2123 7.8092 119.6022 52.2265 20.1364 179.0138 *112 Q 4.2439 8.0418 120.9432 57.2565 30.6071 175.6982 113 E 4.3448 8.2964 114.4425 55.2563 29.6944 175.7710 114 K 3.5472 7.7598 116.7057 57.2936 29.8698 175.3190 115 D 4.5370 8.4463 119.7286 53.0904 40.4435 176.1997 116 F 4.8147 8.4091 125.6430 59.6412 39.2797 177.2627 117 A 4.2084 8.3085 120.2451 55.9044 18.2733 179.7139 118 T 4.0576 8.7783 114.1396 66.7580 68.2965 176.1024 119 Y 4.1679 8.2026 120.7694 61.2226 38.9706 178.0455 120 N 4.5021 8.7319 117.2926 56.2468 38.1621 177.3054 121 F 4.1507 8.3199 122.1771 61.0034 39.2871 176.9386 122 L 4.0330 7.9105 117.9840 56.8197 41.4949 179.0344 123 Q 3.8645 7.6073 118.6139 58.4012 28.4881 178.5083 124 W 3.9099 7.7786 129.0457 60.6162 30.6863 177.6222 125 Y 4.0373 8.0554 116.1670 60.4473 37.1221 177.9743 126 V 3.5385 8.0728 119.7054 66.0769 31.3985 178.0270 127 A 3.8733 7.8972 120.4204 54.9134 18.0937 179.2253 128 E 3.4348 7.6199 117.9310 59.3453 29.5218 179.1351 129 Q 4.0263 8.0004 118.1638 58.6282 28.7241 178.6755 130 V 3.5619 7.3046 119.3004 66.0468 31.4312 177.7875 131 E 3.9212 7.8273 118.7385 59.1228 29.5375 178.2628 132 E 4.0327 8.4904 119.1526 59.7074 29.5495 179.4420 133 E 4.0673 8.4635 118.0289 59.5660 29.6284 179.3136 134 A 4.0947 8.0631 120.6637 55.2279 18.4868 179.9434 135 S 4.1641 8.5797 113.9265 61.4942 62.9015 176.7063 136 A 4.2194 8.2366 123.3745 55.1539 18.2067 179.0117 137 L 3.5378 8.1960 119.0432 58.5396 41.9564 178.4561 138 D 4.2866 7.9684 117.5310 57.8026 41.0495 178.6996 139 I 3.4508 7.1160 118.4902 63.8029 37.0410 178.1927 140 V 3.4831 7.6501 119.4515 66.4521 31.3754 178.1007 141 E 3.9573 8.8224 118.4891 59.0726 28.9843 179.5275 142 K 3.9301 7.8176 118.0827 59.5414 32.5405 179.1349 143 L 4.1460 8.4158 119.4376 57.5555 40.9550 179.9357 144 R 3.9077 7.9473 118.2516 59.0927 29.9460 178.5459 145 L 4.0336 7.5648 117.6062 57.2739 42.1953 177.9096 146 I 4.2168 7.5324 118.1180 59.9490 38.2576 177.8984 147 G 3.8464 8.2871 106.4388 46.8868 0.0000 175.8764 148 E 4.0641 8.9763 123.3087 58.1566 29.6311 176.7409 149 D 4.3341 8.2077 118.9667 54.7382 41.9724 177.1095 150 K 4.0206 8.6133 126.6878 59.6603 32.4581 179.3508 151 R 3.9291 7.9960 118.2136 59.2970 30.0572 178.1158 152 A 4.3126 7.8407 119.6672 54.3868 18.2591 179.3409 153 L 4.0635 7.6270 119.3368 58.2038 42.2714 178.9458 154 L 4.0667 8.2031 119.0729 57.5841 41.2730 179.2444 155 F 3.9315 8.5511 120.3714 61.1432 39.6508 176.6655 156 L 4.0469 8.1056 119.8885 58.2538 41.9483 178.1530 157 D 4.0457 8.5301 118.3792 57.4406 40.8122 178.3975 158 K 3.8915 7.6401 119.1547 59.1841 32.4135 178.3643 159 E 3.8924 7.6415 119.0754 59.3389 29.5056 179.2093 160 L 4.1337 7.5019 118.3587 57.0297 41.6479 179.0587 161 S 4.2068 7.7595 113.4680 60.8739 62.7756 175.9136 162 L 4.1487 7.4680 121.4974 55.4297 41.9845 177.2686 163 R 4.0035 7.2098 118.8601 56.5150 30.6555 176.2475 164 Q 4.1106 8.2892 121.7414 56.1929 29.7063 175.1210 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 S 8.33 4.36 0.00 3.95 3.95 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 4 I 7.18 3.44 1.80 0.00 0.00 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 1.28 0.23 0.88 0.00 0.00 5 S 9.00 4.57 0.00 3.96 3.89 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 6 E 8.54 4.07 0.00 2.04 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 2.37 2.27 0.00 7 K 7.61 3.79 0.00 1.92 1.77 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.84 4.02 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 0.94 0.00 0.00 0.89 0.00 0.00 10 E 8.28 4.01 0.00 2.10 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 2.39 2.51 0.00 11 A 8.11 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.77 4.12 0.00 1.89 1.80 1.13 0.83 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 13 N 8.40 4.49 0.00 3.08 3.15 0.00 0.00 6.89 7.32 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 14 R 8.24 3.83 0.00 1.94 1.89 0.00 2.99 0.00 0.00 2.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 15 Q 8.14 3.98 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 16 I 8.08 3.81 2.17 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 1.70 0.82 1.09 0.00 0.00 17 N 8.40 4.38 0.00 3.02 3.03 0.00 0.00 7.14 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.36 4.34 1.47 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 19 E 8.73 4.14 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 20 I 8.12 3.82 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.94 0.00 0.00 21 Y 8.67 4.17 0.00 3.16 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 22 S 8.39 3.87 0.00 4.25 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.89 4.24 1.56 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 0.00 0.00 24 Y 8.34 4.46 0.00 3.24 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 25 L 7.72 3.69 0.00 0.94 1.22 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.32 4.45 0.00 3.26 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 27 L 8.41 4.02 0.00 1.41 1.66 0.01 0.26 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 28 S 7.83 4.32 0.00 3.89 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 *30 A 7.96 4.54 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.88 4.14 0.00 3.91 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 32 Y 8.29 4.26 0.00 3.26 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 33 F 8.07 3.98 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.28 4.41 0.00 3.00 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 35 S 7.99 4.30 0.00 4.05 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 36 I 6.87 4.33 1.73 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.63 0.00 0.00 37 G 7.88 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 0.00 0.00 0.00 38 L 7.71 4.52 0.00 1.81 1.82 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.18 4.29 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 40 G 8.60 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 0.00 0.00 0.00 41 F 8.37 3.65 0.00 2.53 1.47 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 42 S 8.07 4.39 0.00 4.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.09 4.58 0.00 2.85 2.95 0.00 0.00 6.78 7.72 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 44 W 7.94 4.03 0.00 3.29 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 *46 R 7.88 4.38 0.00 2.11 2.11 0.00 3.23 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 47 V 7.88 3.68 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 0.85 0.00 0.00 0.94 0.00 0.00 48 Q 8.28 3.58 0.00 1.22 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 1.37 2.18 0.00 49 W 8.08 4.32 0.00 3.69 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 50 Q 8.20 3.47 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 51 E 8.02 3.95 0.00 1.86 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 2.02 2.26 0.00 52 E 8.48 4.08 0.00 2.09 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 0.00 2.75 2.88 0.00 53 L 7.32 3.95 0.00 1.46 1.40 0.57 -0.79 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 *55 H 8.14 4.94 0.00 3.53 3.78 0.00 5.73 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 56 A 8.01 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 K 8.04 4.12 0.00 1.72 2.02 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.35 7.81 *60 F 7.99 4.68 0.00 3.27 2.98 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 D 8.25 4.58 0.00 3.01 2.78 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 62 F 8.14 3.93 0.00 2.59 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 63 V 7.63 3.16 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 0.80 0.00 0.00 0.91 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0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 141 E 8.82 3.96 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 2.27 2.27 0.00 142 K 7.82 3.93 0.00 1.75 1.81 0.00 1.87 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 143 L 8.42 4.15 0.00 1.74 1.73 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.95 3.91 0.00 1.86 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 145 L 7.56 4.03 0.00 1.88 1.78 0.89 0.94 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 0.00 146 I 7.53 4.22 2.00 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 0.60 0.93 0.00 0.00 147 G 8.29 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 0.00 0.00 0.00 148 E 8.98 4.06 0.00 1.97 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 0.00 2.31 2.24 0.00 149 D 8.21 4.33 0.00 2.77 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 0.00 150 K 8.61 4.02 0.00 1.90 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.56 7.81 151 R 8.00 3.93 0.00 1.87 1.94 0.00 3.44 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 152 A 7.84 4.31 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 0.00 153 L 7.63 4.06 0.00 1.80 1.87 0.94 0.54 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 0.00 154 L 8.20 4.07 0.00 1.92 1.75 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.55 3.93 0.00 3.09 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.11 4.05 0.00 1.92 1.90 0.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.53 4.05 0.00 3.16 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 0.00 158 K 7.64 3.89 0.00 1.80 1.56 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.52 7.81 159 E 7.64 3.89 0.00 2.09 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 2.08 1.92 0.00 160 L 7.50 4.13 0.00 1.43 1.69 0.60 -0.70 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 0.00 161 S 7.76 4.21 0.00 4.00 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 0.00 162 L 7.47 4.15 0.00 1.87 1.72 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.21 4.00 0.00 1.90 1.79 0.00 2.68 0.00 0.00 2.70 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 164 Q 8.29 4.11 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.