NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7175 8.1476 118.3416 55.4292 33.7655 173.2397 2 I 4.9335 8.6370 111.4570 58.9804 41.6289 172.5687 3 I 5.0410 8.9578 123.6318 59.5238 41.0888 176.1157 4 V 4.9108 9.0832 125.5460 61.2875 34.5939 173.3463 5 Y 5.3787 9.2823 129.2959 56.2647 41.2206 174.2268 6 T 5.1923 8.5152 119.8194 60.2337 71.6066 172.1255 7 T 4.9133 7.8814 114.0163 59.7921 71.8869 172.9617 8 F 4.6996 8.7913 120.9585 54.8807 42.7146 174.6222 9 P 4.2238 0.0000 0.0000 65.1671 31.8940 176.0826 10 D 4.5259 7.2679 117.4899 51.1231 43.0430 176.0651 11 W 3.9718 8.6226 119.5845 59.4482 28.9825 178.2790 12 E 3.9351 8.3090 119.3103 59.4933 29.1582 178.9888 13 S 3.9850 9.0691 114.2663 61.1478 63.0599 176.1032 14 A 2.0000 7.3283 123.8164 54.2414 17.9301 179.5052 15 E 3.8251 8.2066 117.2907 59.2288 29.5584 179.3420 16 K 3.7954 7.7516 119.5932 59.5537 32.2742 178.8797 17 V 3.5304 7.5428 118.2113 66.0000 31.4919 178.0865 18 V 3.6059 7.6187 117.8751 66.0824 31.3007 178.1701 19 K 4.0401 8.3556 118.5096 59.6442 31.7974 179.5727 20 T 3.8643 7.9830 116.1772 66.6262 68.3160 176.7927 21 L 4.0514 8.0787 120.9039 57.6135 41.4972 179.6982 22 L 3.9819 7.9363 119.0593 57.8162 41.4316 179.6492 23 K 3.9752 8.1287 117.2800 58.9482 32.0074 178.2297 24 E 4.3515 7.9565 116.2523 55.2174 29.8905 176.2320 25 R 3.8930 7.9678 117.7200 57.2654 28.2866 177.9573 26 L 4.2935 8.0789 118.5697 55.9083 42.1950 177.1444 27 I 4.7027 7.2403 110.0257 58.9836 40.5680 174.7439 28 A 3.9943 8.7218 123.5703 54.1083 19.0963 177.7145 *30 A 4.4811 7.8240 115.1787 52.0551 20.3224 175.9726 31 N 5.0803 9.2722 116.8505 51.5158 41.7069 173.6605 32 L 5.5170 8.7508 123.6875 53.0247 44.7040 176.1154 33 R 5.0226 8.6303 118.0214 54.9917 33.0668 174.4684 34 E 4.7445 9.0761 120.5609 57.1317 30.7050 175.4341 35 H 4.8979 8.6937 115.6763 54.8702 32.5281 172.2198 36 R 4.7532 8.7465 120.0532 55.1074 31.0254 175.0554 37 A 4.9904 9.2292 128.7996 50.4380 21.7599 175.4684 38 F 5.2373 8.9415 119.2506 55.9167 42.1863 173.9033 39 Y 4.9916 8.6001 121.0391 55.3778 41.8027 174.0434 40 W 4.8841 8.9691 120.4267 56.4321 30.2229 176.7207 41 W 4.9002 9.8336 134.5599 57.3622 31.9125 174.0232 42 E 3.4984 9.2807 128.6407 57.3677 26.0398 175.8359 43 G 4.0284 8.4745 101.9731 45.4650 0.0000 171.9678 44 K 4.6631 7.9993 119.8841 54.6348 36.1040 175.6993 45 I 4.0110 8.0898 127.7770 60.2123 36.7465 175.1462 46 E 4.0511 8.7935 127.7386 55.7027 30.8829 175.5493 47 E 4.6142 8.2650 123.1491 54.3705 32.1433 174.2501 48 D 4.7001 8.8183 125.2206 52.9563 45.5831 173.7150 49 K 4.7458 8.5135 122.6302 55.6737 33.3056 175.8565 50 E 4.7723 8.9657 123.7208 54.3552 34.3284 174.6592 51 V 4.1036 8.3776 120.1622 61.0685 33.8382 174.6981 52 G 4.2843 9.0160 116.2484 45.4626 0.0000 171.8959 53 A 5.3863 9.0514 125.3656 49.9373 22.3648 174.9631 54 I 4.8591 9.1449 124.1390 59.8700 39.3496 174.7314 55 L 5.1371 9.3898 127.9995 52.9404 44.4431 175.8607 56 K 5.1565 8.4612 121.0567 55.2787 35.5876 175.2770 57 T 4.7469 8.3803 117.5589 61.7253 71.6263 172.4709 58 R 4.6309 8.4749 120.3168 55.3099 31.5188 177.7051 59 E 4.0527 8.8391 120.4174 59.6945 29.5872 178.9834 60 D 4.6263 8.1155 115.6116 54.9335 39.7986 177.0369 61 L 4.4897 7.8313 119.3610 54.6320 42.0080 177.5571 62 W 4.6354 8.0607 129.2139 61.0199 30.5493 177.2498 63 E 3.3912 8.1536 117.2905 59.4742 29.0673 179.0888 64 E 3.8435 8.0149 118.5060 59.0795 29.6736 178.4616 65 L 3.8934 8.1049 120.7254 57.7875 42.1711 178.7400 66 K 3.4983 8.0094 119.8918 59.5651 31.8807 178.6874 67 E 3.8966 7.9779 118.7149 59.1622 29.3354 179.4046 68 R 3.8708 7.8603 118.9100 59.3890 30.1365 178.6321 69 I 3.7475 7.8890 119.7385 64.3694 36.8763 178.4534 70 K 3.9785 7.7746 118.2620 59.6119 31.8953 178.9143 71 E 4.1230 7.7637 118.1792 59.1879 29.5038 178.8034 72 L 4.2520 7.7224 117.6341 55.9011 42.2701 177.2598 73 H 4.2022 8.1256 119.6732 55.4019 30.2154 173.6012 74 P 4.3868 0.0000 0.0000 65.5172 31.6325 176.6056 75 Y 4.5880 7.7848 116.0201 57.7115 38.4680 175.4951 76 D 4.5586 8.7349 123.3055 56.7283 41.3811 176.9797 77 V 4.3152 7.1523 117.6693 60.0769 31.3383 172.7271 78 P 4.2281 0.0000 0.0000 61.5508 32.8670 176.2358 79 A 4.3820 8.0162 121.1341 51.0644 20.3770 176.2899 80 I 4.3191 8.3893 123.6575 59.4554 38.5274 173.3753 81 I 4.4093 8.9384 126.9631 59.6804 39.1014 174.2410 82 R 4.6186 8.3706 127.4984 54.4947 31.5748 175.0942 83 I 4.4492 8.4572 127.0007 59.3077 40.2808 174.8121 84 D 4.6765 8.6788 127.3693 54.2327 41.7033 176.0277 85 V 4.0554 8.1541 122.8586 61.8299 31.7216 175.9754 86 D 4.4588 8.9128 128.3586 57.3405 41.1045 175.6562 87 D 4.5676 7.6040 114.8961 53.9028 43.8464 174.3351 88 V 4.4463 7.8711 120.4556 59.0050 34.0664 173.6433 89 N 4.4473 8.5640 119.8307 52.9983 38.7580 175.4239 90 E 3.9944 8.9507 124.5015 59.6897 29.7593 178.8612 91 D 4.4086 8.1774 118.5440 56.7119 39.3014 177.8659 92 Y 4.0190 8.0490 120.4513 60.2118 38.9117 177.2336 93 L 4.0915 8.1128 121.0720 58.2921 42.2516 179.0650 94 K 3.9498 8.3530 118.5096 59.2538 32.0216 179.0916 95 W 4.0196 8.2405 128.6056 60.3468 30.4736 177.8072 96 L 3.2001 8.1597 120.6340 57.9099 41.2616 179.0609 97 I 3.6420 7.5881 119.0647 64.2562 37.1056 177.7313 98 E 3.9562 7.7967 119.2472 59.1596 29.5018 178.3975 99 E 3.8281 7.4492 117.8061 57.3708 29.8093 177.0535 100 T 4.5469 6.5116 108.8347 59.1940 70.5959 174.8125 101 K 3.8329 8.2063 122.9998 58.2032 33.0730 177.1478 102 K 4.1746 8.5547 119.1492 57.1441 31.8872 175.7040 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.15 4.72 0.00 2.20 2.53 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 2 I 8.64 4.93 1.76 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 1.42 0.87 0.89 0.00 0.00 3 I 8.96 5.04 1.88 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 1.18 0.87 0.97 0.00 0.00 4 V 9.08 4.91 2.25 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 1.25 0.00 0.00 1.18 0.00 0.00 5 Y 9.28 5.38 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.52 5.19 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 7 T 7.88 4.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 8 F 8.79 4.70 0.00 2.73 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 9 P 0.00 4.22 0.00 2.06 1.91 0.00 3.47 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.49 0.00 10 D 7.27 4.53 0.00 2.94 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 11 W 8.62 3.97 0.00 3.39 3.26 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 12 E 8.31 3.94 0.00 2.09 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 0.00 2.36 2.40 0.00 13 S 9.07 3.99 0.00 3.95 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 14 A 7.33 2.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.21 3.83 0.00 2.17 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 2.43 2.67 0.00 16 K 7.75 3.80 0.00 1.88 1.85 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 17 V 7.54 3.53 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 1.11 0.00 0.00 1.00 0.00 0.00 18 V 7.62 3.61 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 1.01 0.00 0.00 0.92 0.00 0.00 19 K 8.36 4.04 0.00 1.97 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 20 T 7.98 3.86 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 1.23 0.00 0.00 21 L 8.08 4.05 0.00 1.89 1.75 1.00 0.49 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 22 L 7.94 3.98 0.00 1.88 1.72 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.13 3.98 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.76 7.81 24 E 7.96 4.35 0.00 2.00 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 2.29 2.47 0.00 25 R 7.97 3.89 0.00 1.95 2.03 0.00 3.38 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 26 L 8.08 4.29 0.00 1.64 1.73 0.96 0.71 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 27 I 7.24 4.70 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.98 0.00 0.00 28 A 8.72 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 A 7.82 4.48 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 31 N 9.27 5.08 0.00 2.71 2.79 0.00 0.00 7.04 6.28 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 32 L 8.75 5.52 0.00 1.71 1.53 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.63 5.02 0.00 1.98 2.11 0.00 3.04 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 34 E 9.08 4.74 0.00 2.04 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 2.46 2.95 0.00 35 H 8.69 4.90 0.00 3.22 3.43 0.00 5.25 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.75 4.75 0.00 1.91 2.09 0.00 3.29 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.31 0.00 37 A 9.23 4.99 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 38 F 8.94 5.24 0.00 2.83 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 39 Y 8.60 4.99 0.00 3.07 2.99 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 40 W 8.97 4.88 0.00 3.34 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 41 W 9.83 4.90 0.00 3.39 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.28 3.50 0.00 1.82 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 1.47 1.47 0.00 43 G 8.47 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 0.00 0.00 0.00 44 K 8.00 4.66 0.00 1.85 1.65 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.27 1.39 7.81 45 I 8.09 4.01 1.51 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 46 E 8.79 4.05 0.00 1.16 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 2.15 2.20 0.00 47 E 8.27 4.61 0.00 1.67 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 1.68 1.47 0.00 48 D 8.82 4.70 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.51 4.75 0.00 1.66 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.51 7.81 50 E 8.97 4.77 0.00 1.58 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 2.26 2.23 0.00 51 V 8.38 4.10 1.62 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 -0.04 0.00 0.00 -0.44 0.00 0.00 52 G 9.02 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 0.00 0.00 0.00 0.00 53 A 9.05 5.39 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 54 I 9.14 4.86 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 1.01 0.00 0.00 55 L 9.39 5.14 0.00 1.67 1.67 1.05 0.91 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 56 K 8.46 5.16 0.00 1.94 1.92 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.58 7.81 57 T 8.38 4.75 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 58 R 8.47 4.63 0.00 1.94 1.95 0.00 3.19 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 59 E 8.84 4.05 0.00 2.06 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 2.39 2.32 0.00 60 D 8.12 4.63 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.83 4.49 0.00 1.96 1.77 0.93 0.66 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 62 W 8.06 4.64 0.00 3.39 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 63 E 8.15 3.39 0.00 1.94 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 0.00 2.45 2.33 0.00 64 E 8.01 3.84 0.00 1.99 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 2.34 2.33 0.00 65 L 8.10 3.89 0.00 1.88 1.91 0.96 1.08 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 66 K 8.01 3.50 0.00 0.79 1.19 0.00 1.54 0.00 0.00 1.15 0.00 0.00 2.52 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.12 1.07 7.81 67 E 7.98 3.90 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 68 R 7.86 3.87 0.00 2.05 2.03 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 69 I 7.89 3.75 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.60 0.95 0.00 0.00 70 K 7.77 3.98 0.00 1.86 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.68 7.81 71 E 7.76 4.12 0.00 2.01 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 2.33 2.66 0.00 72 L 7.72 4.25 0.00 1.68 1.74 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.13 4.20 0.00 3.27 3.20 0.00 5.95 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 74 P 0.00 4.39 0.00 2.06 2.09 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 75 Y 7.78 4.59 0.00 2.85 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 76 D 8.73 4.56 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.15 4.32 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 0.88 0.00 0.00 1.06 0.00 0.00 78 P 0.00 4.23 0.00 1.74 1.51 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 79 A 8.02 4.38 1.14 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 80 I 8.39 4.32 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 1.04 0.00 0.00 81 I 8.94 4.41 2.16 0.00 0.00 1.00 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 0.67 0.95 0.00 0.00 82 R 8.37 4.62 0.00 0.67 0.76 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.95 0.00 83 I 8.46 4.45 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.86 0.00 0.00 84 D 8.68 4.68 0.00 2.50 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 85 V 8.15 4.06 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 0.80 0.00 0.00 0.95 0.00 0.00 86 D 8.91 4.46 0.00 2.69 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 87 D 7.60 4.57 0.00 2.58 2.47 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 88 V 7.87 4.45 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 0.82 0.00 0.00 0.99 0.00 0.00 89 N 8.56 4.45 0.00 3.12 3.01 0.00 0.00 5.65 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 90 E 8.95 3.99 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 91 D 8.18 4.41 0.00 2.97 2.97 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 92 Y 8.05 4.02 0.00 3.07 3.29 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 0.00 93 L 8.11 4.09 0.00 1.97 1.92 1.00 0.64 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 94 K 8.35 3.95 0.00 2.05 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.73 7.81 95 W 8.24 4.02 0.00 3.35 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 96 L 8.16 3.20 0.00 1.73 1.80 1.12 1.06 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 97 I 7.59 3.64 1.96 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 1.39 0.83 0.87 0.00 0.00 98 E 7.80 3.96 0.00 1.88 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 2.20 2.28 0.00 99 E 7.45 3.83 0.00 1.40 1.53 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 1.47 1.47 0.00 100 T 6.51 4.55 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 1.12 0.00 0.00 101 K 8.21 3.83 0.00 1.86 1.84 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.41 7.81 102 K 8.55 4.17 0.00 1.92 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.