NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1783 8.1849 120.6498 54.4434 44.1375 177.0395 *4 K 4.1607 7.5746 117.7012 55.6455 34.4071 176.4496 5 V 3.8242 8.3732 120.4788 66.5480 31.4629 178.3460 6 A 4.0548 8.0633 119.7614 55.1552 18.1746 179.3818 7 E 3.9768 8.0334 116.7461 59.4593 29.6918 179.1993 8 F 4.3862 8.3098 117.8345 60.7850 39.1179 177.4158 9 E 4.1256 8.6475 118.2575 59.6696 29.2725 179.5164 10 R 3.9937 8.2344 118.5163 59.5025 30.0676 178.6012 11 L 4.1413 8.3916 118.9468 57.8153 41.7579 179.4443 12 F 4.0481 8.6873 117.8894 60.3864 38.8292 177.7995 13 R 4.1663 8.1627 119.6537 58.9683 29.7560 178.4103 14 Q 3.9719 8.3743 118.3118 59.2347 29.1909 177.6482 15 A 4.2676 8.3260 120.8604 54.3874 18.5223 178.0654 16 A 4.5245 7.3975 114.9227 51.2562 20.9684 175.8231 17 G 4.0049 8.3543 104.0177 46.8972 0.0000 173.7660 18 L 4.8449 7.7446 118.3383 52.8394 44.2661 175.6897 19 D 4.9918 9.1493 123.5918 52.7368 41.7792 175.5923 20 V 3.7723 8.0564 125.6405 60.8102 32.9129 175.4876 21 D 4.4436 8.3873 122.8779 53.6398 41.8271 177.3015 22 K 3.8821 8.6602 125.9620 59.5023 31.7807 178.9021 23 N 4.3557 8.6243 116.2581 55.4209 38.7272 176.0253 24 D 4.5275 7.8632 118.9194 54.5616 41.2259 178.3559 25 L 3.5594 7.3568 121.1542 57.2912 41.4624 179.1123 26 K 3.8330 7.7687 119.2273 59.4210 32.1228 178.7135 27 R 3.8015 7.7304 118.5309 59.2253 29.9748 178.3853 28 V 3.2805 7.4618 118.0940 65.8788 31.3759 177.8725 29 S 4.1774 8.0252 113.0856 61.6228 62.2492 175.8513 30 D 4.3410 8.2304 121.6173 57.2342 40.5648 178.5515 31 F 4.0918 8.4482 121.3144 61.5036 39.3981 177.3015 32 L 3.9080 8.2690 118.8139 57.4122 41.2545 179.4121 33 R 3.8776 8.3316 119.2918 59.5898 30.0168 178.3006 34 N 4.3061 8.2221 116.2187 56.2717 38.5125 177.5861 35 K 3.9177 7.7101 119.8685 59.2552 32.1286 179.2190 36 L 3.9445 8.1713 120.8706 58.1982 41.9387 178.3133 37 Y 3.9844 8.3923 119.9080 60.9506 38.7591 177.9496 38 D 4.3644 8.4655 119.6720 57.1029 40.8094 178.7993 39 L 3.9608 7.7708 119.8006 57.7884 41.5560 179.4961 40 L 3.8975 7.8355 118.6871 57.4788 41.4480 179.4225 41 A 3.7691 7.8576 121.1679 55.0522 18.2758 179.9057 42 V 3.5207 7.7618 116.5869 65.9210 31.5030 178.0931 43 A 4.5581 7.9914 122.0531 54.5533 18.1923 179.1715 44 E 3.8320 8.3275 117.9868 59.4548 29.7350 179.0554 45 R 3.9299 7.8070 118.2792 59.5559 30.2115 178.2904 46 N 4.4186 8.3575 116.1641 56.1042 38.4451 177.2644 47 A 4.0799 8.4208 122.6227 55.2231 18.4831 179.8493 48 K 4.0571 8.1864 117.0071 59.8105 31.8918 178.9124 49 Y 4.1018 8.0352 118.8399 60.4735 38.6942 176.9416 50 N 4.7185 7.9368 114.9661 52.4563 38.7051 175.3108 51 G 3.8828 7.8218 107.6164 46.5271 0.0000 174.2348 52 R 4.6895 8.0560 117.8202 54.3552 32.2953 175.9353 53 D 4.9337 8.6033 117.3588 52.8836 39.9385 175.4860 54 L 4.8871 7.5482 120.3038 53.6713 45.6392 175.3517 55 I 4.4450 8.3315 126.1402 60.4927 38.7000 175.2420 56 F 4.8280 9.4727 125.8404 55.2799 42.0772 176.4509 57 E 3.9466 9.1677 120.6837 59.2289 29.3211 177.4467 58 P 4.3983 0.0000 0.0000 65.1670 31.9091 177.3371 59 D 4.5136 8.3621 118.4974 56.7051 40.9987 176.6670 60 L 4.3932 7.7966 119.9295 53.9620 42.0731 176.3700 61 P 4.4482 0.0000 0.0000 61.5593 29.6956 173.6468 62 I 4.1614 7.5116 123.7617 60.1033 38.2956 176.2715 63 A 4.2709 8.1650 127.5308 51.0597 20.3946 177.3589 64 K 3.9043 8.6534 121.5616 59.7409 32.1157 179.1020 65 G 3.5904 8.0141 105.2998 47.8863 0.0000 175.3020 66 L 4.0070 7.8310 122.7112 57.6116 42.1639 178.5757 67 Q 3.9575 8.2412 119.7506 59.2509 29.0055 178.1706 68 E 4.0407 8.4816 119.7989 59.6685 29.3953 179.4653 69 T 3.9682 8.0189 115.9436 66.2983 68.4428 176.5730 70 L 4.0341 8.1939 122.7497 58.1857 42.1989 178.7717 71 Q 3.9840 8.2154 119.5360 59.2204 28.7670 177.8725 72 E 3.9412 8.1382 119.2627 59.1858 29.7348 178.2143 73 F 4.2728 8.3279 119.9758 61.4025 39.5564 176.8780 74 R 3.7723 7.9342 116.5234 58.7875 31.1731 178.6927 75 R 4.1130 7.3961 118.0710 55.0499 27.5827 177.1307 *77 D 4.2283 7.5427 118.1728 54.9180 42.4840 178.3472 78 T 4.2200 7.1192 114.7323 61.6130 69.6123 174.7506 79 A 4.2933 8.1962 130.0193 50.9923 17.3624 176.3393 80 L 4.3258 8.1297 120.8994 54.6171 42.7673 177.5372 81 E 4.1789 8.4559 122.3069 56.2042 30.4950 177.6005 82 L 4.0840 8.5560 123.9145 58.0547 42.3167 178.8896 83 K 3.8082 8.1227 119.1855 59.4769 31.9949 176.6317 84 P 4.3235 0.0000 0.0000 65.4244 31.2499 178.8604 85 V 3.5967 7.6559 116.7141 65.9432 31.5501 177.9693 86 L 4.0246 8.0816 118.8244 57.8869 41.2245 179.2202 87 D 4.3371 8.3735 118.0634 57.2953 40.9710 178.3777 88 A 4.1493 8.1438 121.2375 55.2639 18.3934 179.7621 89 L 4.0547 8.1318 117.2595 57.6736 41.4970 179.2454 90 A 4.1920 8.1067 119.2259 54.0860 18.3460 178.9928 91 A 4.0620 7.5986 118.5364 53.3495 18.5894 177.5304 92 L 4.3257 7.0203 116.7622 52.0828 43.5185 174.5372 93 P 4.3296 0.0000 0.0000 62.3516 31.6475 175.2090 94 P 4.4712 0.0000 0.0000 62.6608 31.9187 176.1879 95 L 4.5326 8.0804 120.8648 53.7669 43.0363 176.9635 96 D 4.4767 9.2108 121.1245 56.6267 40.9837 177.3244 97 L 4.6310 7.8013 116.9807 53.0736 43.8060 175.7626 98 E 4.4575 8.2920 120.7694 55.9076 31.6021 175.4533 99 V 4.6955 7.9171 113.2866 59.3875 34.3688 176.0555 100 A 3.9359 8.3868 125.1311 51.6077 19.2869 178.6950 101 E 3.8927 8.8308 118.8033 59.8510 29.2790 179.7573 102 D 4.4228 7.9893 117.4097 57.0490 41.3112 178.5422 103 V 3.7222 7.5193 118.6531 65.7601 31.5416 177.7451 104 R 3.8705 7.9469 118.4919 59.7363 29.7032 178.2923 105 N 4.3963 8.0452 114.6391 55.7475 38.7216 176.7581 106 L 4.1730 7.7659 121.2679 57.1736 42.0691 178.5289 107 L 3.9482 7.5782 119.6425 57.6821 41.5849 177.7606 108 P 4.2157 0.0000 0.0000 65.4770 31.1965 178.5939 109 E 4.1754 8.1416 117.1793 59.3626 29.3988 179.1623 110 L 3.9277 8.2429 119.1280 57.5043 41.6281 179.3399 111 A 3.9943 8.2095 121.1400 55.0806 18.2772 179.9370 112 G 2.2620 7.6935 103.9755 47.3592 0.0000 175.7544 113 A 3.9297 7.6308 123.5528 54.8605 18.2839 179.7486 114 L 4.1019 8.1104 117.7584 57.8952 41.5989 179.9530 115 V 3.5400 7.7277 118.3393 65.8018 31.4831 178.2169 116 V 3.5219 7.9293 117.8969 66.0299 31.3501 177.9056 117 A 4.1068 8.2887 120.5459 55.3269 18.1623 178.9778 118 Y 3.8519 8.6316 118.1902 60.7190 38.8524 178.0918 119 A 3.9847 8.2800 122.1103 55.3402 18.4523 179.9124 120 R 3.9417 8.1321 116.5140 59.0522 30.0851 179.5749 121 V 3.5631 8.0604 118.4972 65.8354 31.3647 177.6973 122 L 3.7841 7.6983 119.1655 57.9700 42.1471 178.5832 123 K 4.0850 8.1499 119.3769 59.7343 32.0054 178.6911 124 E 4.0463 7.9271 117.1624 59.2661 29.3441 179.0838 125 L 4.2700 7.5296 118.0825 56.7994 43.0122 177.3402 126 D 4.7329 8.1219 117.7356 51.9198 42.5379 173.0435 127 P 4.2532 0.0000 0.0000 64.8987 31.7668 177.3557 128 A 4.2790 7.9151 118.3877 52.8103 19.3626 176.7527 129 L 4.2235 7.9087 118.8745 54.5711 42.6870 176.7512 130 K 4.3288 8.6705 125.3300 57.4084 33.0125 175.5780 131 N 5.3921 7.8708 114.9973 48.4885 36.7818 171.8301 132 P 4.1689 0.0000 0.0000 63.6608 32.6865 176.8123 133 Q 4.6842 7.9552 118.8939 54.2994 31.8725 176.0696 134 T 3.9085 8.5503 114.0705 67.4766 68.0814 175.9529 135 E 3.9411 8.2304 120.4077 59.7963 29.6457 178.5388 136 H 4.0964 8.2187 115.6804 59.0667 28.6689 177.5109 137 H 4.1642 8.0860 117.6604 58.7957 28.6760 177.4384 138 E 3.8960 8.0781 120.4583 59.5135 29.2522 179.6819 139 R 3.9216 7.7772 118.0271 59.0491 30.0838 178.9533 140 A 3.9056 7.8876 120.6936 54.9799 18.1603 179.5463 141 E 3.5527 8.1858 117.2691 59.5004 29.2102 179.7166 142 R 3.9801 7.6116 116.5993 59.1816 30.5003 179.0365 143 V 3.8046 7.8806 117.9871 66.2045 31.6379 178.1130 144 F 4.1822 8.7607 117.5922 60.7625 38.5772 177.4012 145 N 4.9626 8.7329 115.3600 56.0388 38.3515 177.0425 146 L 4.2263 7.7797 119.6111 56.6307 41.7722 177.6599 147 L 4.6600 7.9035 115.8897 54.1330 44.3173 176.2692 148 L 4.3168 8.3511 122.9483 54.7340 42.0821 176.0643 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 L 8.18 4.18 0.00 1.70 1.74 1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *4 K 7.57 4.16 0.00 1.83 1.80 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.61 7.81 5 V 8.37 3.82 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 1.17 0.00 0.00 1.00 0.00 0.00 6 A 8.06 4.05 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 7 E 8.03 3.98 0.00 2.06 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 0.00 2.40 2.40 0.00 8 F 8.31 4.39 0.00 3.35 3.15 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 9 E 8.65 4.13 0.00 2.28 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 2.37 2.55 0.00 10 R 8.23 3.99 0.00 1.99 2.22 0.00 3.32 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 11 L 8.39 4.14 0.00 1.98 1.73 0.97 1.17 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 12 F 8.69 4.05 0.00 3.16 3.19 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 13 R 8.16 4.17 0.00 2.08 2.18 0.00 3.18 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 14 Q 8.37 3.97 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 15 A 8.33 4.27 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 16 A 7.40 4.52 1.28 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 0.00 0.00 17 G 8.35 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 18 L 7.74 4.84 0.00 1.87 1.67 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.15 4.99 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.06 3.77 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 0.44 0.00 0.00 0.11 0.00 0.00 21 D 8.39 4.44 0.00 2.63 2.66 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 0.00 0.00 0.00 0.00 22 K 8.66 3.88 0.00 1.79 1.81 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.52 7.81 23 N 8.62 4.36 0.00 2.66 2.82 0.00 0.00 6.96 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.86 4.53 0.00 2.50 2.26 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 25 L 7.36 3.56 0.00 1.55 1.28 0.89 0.28 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 26 K 7.77 3.83 0.00 1.80 1.73 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.51 7.81 27 R 7.73 3.80 0.00 1.88 1.91 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 28 V 7.46 3.28 1.79 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 0.73 0.00 0.00 0.76 0.00 0.00 29 S 8.03 4.18 0.00 3.93 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 30 D 8.23 4.34 0.00 2.86 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 31 F 8.45 4.09 0.00 3.13 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 32 L 8.27 3.91 0.00 1.73 1.71 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.33 3.88 0.00 1.90 2.17 0.00 3.21 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 1.64 1.93 0.00 34 N 8.22 4.31 0.00 2.77 2.76 0.00 0.00 7.08 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 35 K 7.71 3.92 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.02 1.55 7.81 36 L 8.17 3.94 0.00 1.75 1.85 0.91 0.91 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 37 Y 8.39 3.98 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.47 4.36 0.00 2.89 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 39 L 7.77 3.96 0.00 1.86 1.68 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.84 3.90 0.00 1.59 1.51 0.85 0.68 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 41 A 7.86 3.77 1.20 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 42 V 7.76 3.52 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 0.97 0.00 0.00 0.96 0.00 0.00 43 A 7.99 4.56 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 44 E 8.33 3.83 0.00 1.97 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 2.29 2.29 0.00 45 R 7.81 3.93 0.00 1.90 2.07 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 46 N 8.36 4.42 0.00 2.96 2.89 0.00 0.00 6.91 7.69 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 47 A 8.42 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.06 0.00 2.04 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 49 Y 8.04 4.10 0.00 3.05 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.94 4.72 0.00 3.04 2.84 0.00 0.00 7.02 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.82 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 52 R 8.06 4.69 0.00 2.02 1.97 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 53 D 8.60 4.93 0.00 2.74 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 54 L 7.55 4.89 0.00 1.59 1.55 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.33 4.44 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 0.87 0.00 0.00 56 F 9.47 4.83 0.00 2.95 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 57 E 9.17 3.95 0.00 2.05 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 2.41 2.38 0.00 58 P 0.00 4.40 0.00 2.12 2.13 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 59 D 8.36 4.51 0.00 2.93 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 60 L 7.80 4.39 0.00 1.79 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.45 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 62 I 7.51 4.16 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 1.34 0.63 0.95 0.00 0.00 63 A 8.17 4.27 1.25 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 0.00 0.00 64 K 8.65 3.90 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 65 G 8.01 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 66 L 7.83 4.01 0.00 1.72 1.79 0.91 0.79 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 67 Q 8.24 3.96 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 68 E 8.48 4.04 0.00 2.21 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 2.34 2.56 0.00 69 T 8.02 3.97 4.42 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 1.30 0.00 0.00 70 L 8.19 4.03 0.00 1.85 1.92 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.22 3.98 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 72 E 8.14 3.94 0.00 2.05 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 2.36 2.34 0.00 73 F 8.33 4.27 0.00 3.08 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 74 R 7.93 3.77 0.00 2.01 1.94 0.00 3.25 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 75 R 7.40 4.11 0.00 1.78 1.87 0.00 3.18 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 *77 D 7.54 4.23 0.00 2.62 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 78 T 7.12 4.22 4.09 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 1.30 0.00 0.00 79 A 8.20 4.29 1.25 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 0.00 0.00 80 L 8.13 4.33 0.00 1.71 1.60 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.46 4.18 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 82 L 8.56 4.08 0.00 1.71 1.65 0.92 0.58 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 83 K 8.12 3.81 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.56 7.81 84 P 0.00 4.32 0.00 2.34 2.08 0.00 3.71 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 2.10 2.14 0.00 85 V 7.66 3.60 2.19 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 1.06 0.00 0.00 0.93 0.00 0.00 86 L 8.08 4.02 0.00 1.91 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.37 4.34 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.14 4.15 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 89 L 8.13 4.05 0.00 1.90 1.84 0.94 0.88 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 90 A 8.11 4.19 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 A 7.60 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.02 4.33 0.00 1.19 0.83 0.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.33 0.00 2.13 2.03 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 94 P 0.00 4.47 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 95 L 8.08 4.53 0.00 1.58 1.70 0.70 0.92 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 96 D 9.21 4.48 0.00 2.77 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 97 L 7.80 4.63 0.00 1.58 1.54 0.97 0.89 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 98 E 8.29 4.46 0.00 1.86 1.81 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 2.34 2.31 0.00 99 V 7.92 4.70 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 0.61 0.00 0.00 0.86 0.00 0.00 100 A 8.39 3.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.83 3.89 0.00 1.98 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 2.38 2.35 0.00 102 D 7.99 4.42 0.00 2.69 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 0.00 103 V 7.52 3.72 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 0.98 0.00 0.00 0.92 0.00 0.00 104 R 7.95 3.87 0.00 1.89 2.06 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 1.62 1.66 0.00 105 N 8.05 4.40 0.00 2.76 2.88 0.00 0.00 7.05 7.25 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 0.00 106 L 7.77 4.17 0.00 1.95 1.85 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.58 3.95 0.00 1.77 1.71 0.90 0.93 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 0.00 108 P 0.00 4.22 0.00 2.19 2.10 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 109 E 8.14 4.18 0.00 2.22 2.19 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 2.61 2.49 0.00 110 L 8.24 3.93 0.00 1.80 1.68 0.91 0.95 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 0.00 111 A 8.21 3.99 1.28 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 0.00 0.00 112 G 7.69 2.26 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 0.00 113 A 7.63 3.93 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 0.00 114 L 8.11 4.10 0.00 1.87 1.89 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.73 3.54 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 0.95 0.00 0.00 1.09 0.00 0.00 116 V 7.93 3.52 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.11 0.00 0.00 117 A 8.29 4.11 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 0.00 118 Y 8.63 3.85 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 3.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.13 3.94 0.00 2.10 2.02 0.00 3.17 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 121 V 8.06 3.56 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 0.98 0.00 0.00 1.19 0.00 0.00 122 L 7.70 3.78 0.00 1.48 1.86 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.15 4.08 0.00 1.98 1.97 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 124 E 7.93 4.05 0.00 2.15 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 2.57 2.51 0.00 125 L 7.53 4.27 0.00 1.72 1.65 0.83 1.11 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 0.00 126 D 8.12 4.73 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.25 0.00 2.08 2.14 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 128 A 7.92 4.28 1.28 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 0.00 0.00 129 L 7.91 4.22 0.00 1.73 1.72 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.67 4.33 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.42 7.81 131 N 7.87 5.39 0.00 2.74 2.77 0.00 0.00 6.42 7.75 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 0.00 132 P 0.00 4.17 0.00 2.08 2.02 0.00 3.92 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 133 Q 7.96 4.68 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 134 T 8.55 3.91 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 1.18 0.00 0.00 135 E 8.23 3.94 0.00 2.01 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 2.38 2.36 0.00 136 H 8.22 4.10 0.00 3.36 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.09 4.16 0.00 3.36 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.08 3.90 0.00 2.16 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 2.30 2.59 0.00 139 R 7.78 3.92 0.00 1.88 1.90 0.00 3.21 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 140 A 7.89 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.19 3.55 0.00 1.95 1.58 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 1.47 2.05 0.00 142 R 7.61 3.98 0.00 1.99 2.03 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 143 V 7.88 3.80 2.36 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 1.12 0.00 0.00 0.99 0.00 0.00 144 F 8.76 4.18 0.00 3.66 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.73 4.96 0.00 3.01 3.01 0.00 0.00 7.09 8.54 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 0.00 146 L 7.78 4.23 0.00 1.80 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.90 4.66 0.00 1.47 1.58 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.35 4.32 0.00 1.63 1.49 0.55 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.