NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.5580 8.1927 115.5674 58.1065 65.5196 171.9837 21 D 4.6593 8.4382 119.1666 52.8928 41.9690 175.0517 22 A 4.1252 9.7119 129.0003 56.1039 19.0337 179.2995 23 H 4.0038 8.9955 114.7660 58.7707 28.6776 178.3326 24 V 3.5607 7.9566 120.2558 65.8639 31.5024 177.6496 25 L 3.3196 7.8304 119.5640 58.0244 41.8297 178.4474 26 K 4.0657 8.4143 119.5383 60.0198 31.9333 178.8204 27 S 4.3993 7.8679 115.1907 61.7180 62.7802 176.8792 28 R 4.0876 8.0044 120.8458 59.1093 29.4463 179.1858 29 L 4.2897 7.8051 118.1402 57.9395 41.7670 179.0330 30 E 3.9452 8.2443 117.4624 58.1497 29.5319 177.7766 31 W 4.8888 8.6396 115.8390 56.1688 31.4129 175.7637 32 G 4.1408 8.0345 107.2103 44.2702 0.0000 172.9662 33 E 4.3822 8.5178 118.5083 55.2396 30.4792 176.2460 34 P 4.2642 0.0000 0.0000 61.8972 29.6669 175.6904 35 A 4.7507 7.7614 122.7208 52.1047 20.1002 175.7226 36 F 5.3960 7.1452 111.9621 57.1559 41.6411 173.8051 37 T 4.7549 9.3203 115.5027 61.9493 72.5336 172.9783 38 I 5.0493 8.5605 125.9990 59.6812 40.0478 174.2666 39 L 4.6316 8.9607 127.6144 52.9550 43.9522 175.2242 40 D 3.5713 8.5185 125.1341 52.4793 41.4270 175.5149 41 V 4.0032 8.0346 126.1503 62.1471 33.0140 176.9231 42 R 4.4708 7.9931 122.0230 55.6251 33.1012 175.1108 43 D 4.6037 8.6040 118.6573 54.4815 42.1018 177.4970 44 R 3.8807 8.8573 125.7110 60.0484 29.7466 178.9417 45 S 4.1915 8.3348 114.0701 62.0397 62.6927 176.7146 46 T 3.9698 7.7067 117.1832 66.6393 68.1448 175.8691 47 Y 4.2142 8.2746 121.6555 60.8077 38.7147 177.9243 48 N 4.4702 8.2992 117.4286 56.0765 38.5132 176.7637 49 D 4.7111 7.9257 118.8605 53.5883 41.0477 176.2305 50 G 4.6307 5.9066 119.6002 45.5164 0.0000 171.5054 51 H 5.0185 8.0946 120.5255 53.4509 32.8825 174.6197 52 I 3.5065 8.7386 123.0249 63.1184 35.7436 177.9319 *54 G 3.9120 8.8310 117.6049 45.3206 0.0000 174.8774 55 A 4.9574 8.3173 121.2309 51.1081 19.3709 176.7086 *57 A 3.5933 8.4541 115.1342 51.5083 20.0944 175.2043 *59 P 4.6526 0.0000 0.0000 62.4255 32.9268 177.9011 60 I 3.5888 8.2686 126.9785 65.2736 37.3333 178.9234 61 E 3.9800 8.1819 114.5656 58.9944 29.7453 179.4410 62 D 4.8720 8.1806 115.2024 53.2318 43.1952 176.8340 63 L 3.8595 8.1551 123.6243 58.7029 41.8793 179.6885 64 V 3.7145 7.7696 118.0792 64.7419 31.1690 177.9030 65 D 4.3223 8.0110 119.0547 57.2321 40.8020 178.4716 66 R 3.8878 7.8915 118.6840 59.2841 30.0503 178.4088 67 A 3.9081 8.3146 121.0691 55.3165 18.2510 179.6430 68 S 4.2134 8.1547 111.5945 61.5932 62.8820 176.2193 69 S 4.5301 7.8385 116.2583 59.7705 63.4761 175.4101 70 S 4.5087 8.0563 115.4323 57.5731 62.9216 173.3099 71 L 4.8160 7.8534 120.5162 52.4000 44.7459 175.6069 72 E 4.1869 8.3905 122.0896 55.6058 30.5379 177.6402 73 K 4.4536 8.5760 124.1862 58.1308 32.3327 178.5722 74 S 4.5002 7.8865 112.6690 59.1546 63.8965 174.6099 75 R 3.9086 7.7099 121.8573 56.3873 30.1616 175.5903 76 D 4.6375 8.9101 125.1991 55.0780 42.1505 175.3703 77 I 4.9950 8.9557 124.1942 59.7432 40.9134 173.8419 78 Y 5.0040 9.2501 125.4734 56.3216 39.9926 175.0933 79 V 5.0795 8.7407 124.2985 61.4786 35.2142 173.8346 80 Y 5.0701 8.4200 122.6650 56.2352 41.4063 174.1794 81 G 4.6991 8.7537 113.2117 44.2316 0.0000 172.3214 82 A 4.1641 9.0079 122.1939 54.5259 18.7712 178.3837 83 G 4.3750 7.7746 102.7486 42.7935 0.0000 173.5666 84 D 4.4939 8.6043 121.1711 58.1457 39.5790 176.2040 85 E 4.0960 8.0710 119.2490 59.6155 29.8138 178.5302 86 Q 3.9718 8.0721 119.0808 59.3427 29.1117 178.2550 87 T 3.8713 8.0118 117.0392 66.7739 68.5326 176.9269 88 S 4.3040 8.2474 115.9566 61.2311 63.0226 176.2296 89 Q 3.9101 8.3381 123.4551 58.9607 28.9237 177.8745 90 A 3.9955 8.1741 122.1157 54.9221 18.3715 179.8791 91 V 3.4909 7.8107 116.7684 66.1731 31.6737 177.8853 92 N 4.2951 8.3347 116.4248 56.3904 38.3105 177.0184 93 L 3.9828 7.9202 120.1530 58.1711 41.8168 179.8412 94 L 4.2349 7.8411 118.1220 57.8467 41.5275 179.8618 95 R 4.5292 8.8088 120.0821 58.8731 29.8745 179.2504 96 S 4.2639 8.4573 112.4990 60.5700 63.1538 175.3294 97 A 4.3128 7.4349 122.6250 51.9640 18.6455 177.4673 98 G 3.7957 7.7296 104.7439 45.2034 0.0000 174.6100 99 F 4.2217 8.3889 120.4332 57.6829 38.8958 175.7497 100 E 4.3558 8.7355 125.2111 57.5018 30.5589 176.2491 101 H 4.9887 7.7752 115.9152 54.6093 28.9026 172.6866 102 V 4.8532 7.6098 117.7418 61.4831 33.9939 175.7173 103 S 4.8084 8.6751 120.1217 56.9231 66.6022 172.8865 104 E 4.7914 8.6772 119.3160 55.5247 31.5681 176.1341 105 L 4.4619 9.1199 127.2261 54.1048 42.2947 176.0546 106 K 4.1133 8.5423 127.6908 56.3274 32.1408 175.6533 107 G 4.0170 8.9983 113.4040 42.9252 0.0000 174.4303 108 G 4.0838 8.3670 108.8590 45.9089 0.0000 174.4991 109 L 3.7913 8.4853 116.8728 57.8503 41.7137 179.0632 110 A 3.9845 8.0143 120.0582 55.1311 17.1920 179.4012 111 A 4.0083 8.0719 119.2620 54.7174 18.4321 179.7481 112 W 4.1537 8.0390 126.9286 60.7243 30.9937 178.5093 113 K 3.9552 8.5652 118.2006 58.8754 31.2447 179.0595 114 A 4.1670 7.6745 120.0186 53.6411 18.1934 177.9689 115 I 4.1424 6.7495 109.9465 60.5057 37.7663 176.3749 116 G 3.6735 7.9231 107.1361 45.9849 0.0000 174.2931 117 G 2.1998 7.0383 108.9913 43.8299 0.0000 172.8603 118 P 4.5540 0.0000 0.0000 62.8283 32.1850 175.6958 119 T 4.9582 8.1543 115.7316 62.0169 72.3263 173.1487 120 E 4.7033 9.2502 124.2599 54.6890 32.4877 175.3532 121 G 4.3856 8.2399 108.4321 44.6983 0.0000 172.1456 122 I 4.3785 8.5564 123.5916 60.1032 38.6054 176.8434 123 I 4.3711 7.6131 124.4750 61.5439 38.8582 174.8710 *135 N 4.7814 8.0145 124.4499 52.9707 40.2644 179.6216 136 V 3.8910 7.6444 114.5854 62.9129 32.4856 180.3344 137 V 3.8682 7.8734 111.7951 64.8771 31.8812 177.5905 138 S 4.2276 8.3023 115.4411 61.8329 62.9439 176.6094 139 R 4.0590 7.7456 117.4666 57.1845 29.4439 177.8631 *141 Q 4.2655 8.1925 116.9461 55.6212 30.9203 176.9217 142 N 4.2225 8.2691 115.6935 57.1317 38.6985 176.2356 143 H 4.1682 8.1232 117.9920 59.3582 30.2047 176.8671 144 L 4.1201 7.8640 120.2473 57.8658 41.5510 179.1903 145 E 4.0267 8.5738 118.9417 59.2433 29.1994 178.4794 146 N 4.6312 8.0951 114.0780 54.5517 38.7189 176.0281 147 Q 4.4401 7.5106 118.5609 54.7851 30.2191 176.5135 148 K 4.1055 7.3927 121.2413 55.6824 33.9304 177.1748 149 K 3.7972 8.7073 124.5981 60.0179 32.1628 178.8409 150 E 3.9170 8.1197 116.9801 59.4707 29.3394 179.1330 151 V 3.9839 7.5312 119.9344 65.2525 31.8150 177.9054 152 L 4.0601 8.2041 119.0434 57.8190 41.1897 179.3685 153 E 4.0198 8.2980 118.2110 59.4431 29.3943 178.6555 154 H 4.3510 7.8935 117.1634 59.7403 30.1528 176.6727 155 H 4.3065 8.0715 119.4928 59.2739 28.6036 176.3494 *156 H 4.6471 7.9715 124.1347 56.6927 28.2598 178.0608 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 20 S 8.19 4.56 0.00 4.05 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 21 D 8.44 4.66 0.00 2.91 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 22 A 9.71 4.13 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 23 H 9.00 4.00 0.00 3.37 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.96 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 25 L 7.83 3.32 0.00 1.39 1.68 -0.30 0.09 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 26 K 8.41 4.07 0.00 1.62 1.89 0.00 0.98 0.00 0.00 1.33 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.17 7.81 27 S 7.87 4.40 0.00 4.17 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.00 4.09 0.00 1.08 1.72 0.00 3.32 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.31 0.00 29 L 7.81 4.29 0.00 2.04 1.88 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.24 3.95 0.00 1.68 1.12 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 2.12 2.38 0.00 31 W 8.64 4.89 0.00 3.26 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 32 G 8.03 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.52 4.38 0.00 2.06 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 2.37 2.38 0.00 34 P 0.00 4.26 0.00 2.05 1.99 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 35 A 7.76 4.75 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.15 5.40 0.00 3.38 3.27 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 37 T 9.32 4.75 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 1.20 0.00 0.00 38 I 8.56 5.05 1.98 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 1.48 1.78 1.10 0.00 0.00 39 L 8.96 4.63 0.00 1.50 1.42 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.52 3.57 0.00 2.52 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 41 V 8.03 4.00 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 0.77 0.00 0.00 0.88 0.00 0.00 42 R 7.99 4.47 0.00 1.92 1.96 0.00 3.27 0.00 0.00 3.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 43 D 8.60 4.60 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.86 3.88 0.00 1.91 1.93 0.00 3.12 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 45 S 8.33 4.19 0.00 4.17 3.93 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 46 T 7.71 3.97 4.40 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 1.26 0.00 0.00 47 Y 8.27 4.21 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.30 4.47 0.00 2.99 2.91 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 49 D 7.93 4.71 0.00 2.75 2.73 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 50 G 5.91 4.63 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 0.00 0.00 0.00 51 H 8.09 5.02 0.00 3.13 3.10 0.00 5.27 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.74 3.51 1.60 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.24 0.02 0.00 0.00 *54 G 8.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.32 4.96 1.40 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 0.00 0.00 *57 A 8.45 3.59 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 P 0.00 4.65 0.00 2.06 2.00 0.00 3.79 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 60 I 8.27 3.59 1.85 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 1.14 0.95 0.89 0.00 0.00 61 E 8.18 3.98 0.00 1.98 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 2.25 1.95 0.00 62 D 8.18 4.87 0.00 2.72 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 63 L 8.16 3.86 0.00 1.81 1.77 0.80 0.66 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 64 V 7.77 3.71 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 0.84 0.00 0.00 1.01 0.00 0.00 65 D 8.01 4.32 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.89 3.89 0.00 2.04 1.88 0.00 3.02 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 67 A 8.31 3.91 1.18 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 0.00 0.00 68 S 8.15 4.21 0.00 4.07 4.13 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 69 S 7.84 4.53 0.00 4.08 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 70 S 8.06 4.51 0.00 3.90 4.14 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 0.00 0.00 0.00 0.00 71 L 7.85 4.82 0.00 1.81 1.59 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.39 4.19 0.00 2.07 1.84 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 2.40 2.41 0.00 73 K 8.58 4.45 0.00 1.73 1.62 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.24 7.81 74 S 7.89 4.50 0.00 4.03 4.03 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 0.00 0.00 0.00 75 R 7.71 3.91 0.00 1.87 2.12 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 76 D 8.91 4.64 0.00 3.03 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 77 I 8.96 5.00 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 0.77 0.00 0.00 78 Y 9.25 5.00 0.00 2.90 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 79 V 8.74 5.08 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 1.04 0.00 0.00 0.86 0.00 0.00 80 Y 8.42 5.07 0.00 3.06 2.96 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 81 G 8.75 4.70 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 82 A 9.01 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.77 4.38 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 0.00 84 D 8.60 4.49 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.07 4.10 0.00 2.04 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 2.38 2.37 0.00 86 Q 8.07 3.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 87 T 8.01 3.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 88 S 8.25 4.30 0.00 4.07 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 89 Q 8.34 3.91 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 90 A 8.17 4.00 1.37 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 91 V 7.81 3.49 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 1.00 0.00 0.00 0.96 0.00 0.00 92 N 8.33 4.30 0.00 2.90 2.87 0.00 0.00 7.07 7.57 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 93 L 7.92 3.98 0.00 1.90 1.76 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.84 4.23 0.00 1.88 1.72 0.70 0.51 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 95 R 8.81 4.53 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.52 0.00 96 S 8.46 4.26 0.00 3.98 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 97 A 7.43 4.31 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 98 G 7.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.39 4.22 0.00 3.23 2.96 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 0.00 100 E 8.74 4.36 0.00 1.82 1.83 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 2.25 2.39 0.00 101 H 7.78 4.99 0.00 3.04 3.25 0.00 5.59 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.61 4.85 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 0.74 0.00 0.00 0.92 0.00 0.00 103 S 8.68 4.81 0.00 3.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.68 4.79 0.00 2.05 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 2.25 2.33 0.00 105 L 9.12 4.46 0.00 1.89 1.72 1.01 0.69 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 0.00 106 K 8.54 4.11 0.00 1.83 1.62 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.27 7.81 107 G 9.00 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 0.00 108 G 8.37 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 0.00 109 L 8.49 3.79 0.00 1.69 1.73 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.01 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.07 4.01 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 0.00 112 W 8.04 4.15 0.00 3.27 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 0.00 113 K 8.57 3.96 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.56 7.81 114 A 7.67 4.17 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 0.00 115 I 6.75 4.14 1.62 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.31 0.67 0.00 0.00 116 G 7.92 3.67 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 0.00 0.00 0.00 117 G 7.04 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 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.55 0.00 2.14 2.01 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 119 T 8.15 4.96 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 1.22 0.00 0.00 120 E 9.25 4.70 0.00 1.52 1.70 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 2.20 2.19 0.00 121 G 8.24 4.39 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 0.00 122 I 8.56 4.38 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.94 0.00 0.00 123 I 7.61 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.25 0.91 0.00 0.00 *135 N 8.01 4.78 0.00 2.67 2.86 0.00 0.00 6.86 7.67 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 0.00 136 V 7.64 3.89 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 0.91 0.00 0.00 0.93 0.00 0.00 137 V 7.87 3.87 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 0.88 0.00 0.00 0.99 0.00 0.00 138 S 8.30 4.23 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.75 4.06 0.00 1.82 2.03 0.00 3.11 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 *141 Q 8.19 4.27 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 142 N 8.27 4.22 0.00 3.09 2.83 0.00 0.00 6.90 7.26 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 0.00 143 H 8.12 4.17 0.00 3.27 3.35 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.86 4.12 0.00 1.95 1.71 0.94 1.00 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 0.00 145 E 8.57 4.03 0.00 2.10 1.96 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 2.32 2.62 0.00 146 N 8.10 4.63 0.00 2.85 2.87 0.00 0.00 6.94 7.17 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 0.00 147 Q 7.51 4.44 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 148 K 7.39 4.11 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.65 7.81 149 K 8.71 3.80 0.00 1.82 1.79 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.57 7.81 150 E 8.12 3.92 0.00 2.18 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 2.32 2.28 0.00 151 V 7.53 3.98 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 1.31 0.00 0.00 0.96 0.00 0.00 152 L 8.20 4.06 0.00 1.85 1.71 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.30 4.02 0.00 2.17 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 2.35 2.46 0.00 154 H 7.89 4.35 0.00 3.12 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 H 8.07 4.31 0.00 3.17 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 H 7.97 4.65 0.00 3.03 2.81 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.