NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.9262 8.1232 119.7165 52.9346 40.9880 175.9071 2 L 4.2717 8.3743 118.5956 56.6569 41.1757 178.0544 3 W 4.3690 9.1824 129.3579 60.7715 31.2779 177.5884 4 Q 3.4181 8.7485 117.8817 58.6190 28.1113 178.2626 5 F 4.5427 9.0336 122.2496 61.5385 39.3394 177.2754 6 G 3.4850 8.7189 105.9515 48.1490 0.0000 175.4181 7 Q 3.8387 7.6230 121.1246 58.7185 28.5996 179.3227 8 M 4.0076 7.8588 119.5323 58.3597 32.0278 178.8513 9 I 3.5635 7.3962 119.9044 64.1437 37.2565 178.1781 10 L 4.6694 7.6959 122.3995 57.7992 41.7512 179.2037 11 K 4.3158 8.2280 116.7133 58.2711 32.0581 177.9101 12 E 4.4856 7.8576 118.1586 56.3644 30.7214 176.5760 13 T 4.4979 8.1509 107.1934 60.2214 70.2656 175.0924 14 G 3.6563 8.3212 110.1811 46.1897 0.0000 173.3916 *16 K 4.3136 7.4624 118.0881 55.7133 32.8024 175.4160 17 L 4.4959 7.9200 122.9808 53.9801 42.6575 176.1468 18 P 4.4080 0.0000 0.0000 65.4634 31.4976 176.2109 19 F 4.9329 8.4406 118.2953 55.7845 40.2519 173.2506 20 P 3.8368 0.0000 0.0000 62.4513 31.8460 176.8660 21 Y 4.1216 7.0012 117.6493 60.2053 38.2241 176.6699 22 Y 4.6844 7.6971 115.8303 59.4160 40.1694 177.9342 23 T 4.1853 9.0679 110.9618 63.8820 69.1113 175.4074 24 T 4.6726 7.6900 111.0619 61.1432 69.5451 173.0930 25 Y 4.3219 8.0948 125.1376 58.6323 39.8975 176.2971 26 G 3.3257 8.6876 116.3505 46.5626 0.0000 172.9427 27 C 4.8266 8.8909 115.6664 57.1784 41.3331 173.0880 28 Y 4.3720 8.2431 118.5833 58.8557 41.1408 176.4952 29 C 4.4486 9.2845 117.8855 60.2728 40.5253 175.6628 30 G 4.3448 8.5117 105.3168 46.0656 0.0000 173.5481 31 W 5.1481 7.6218 130.2313 57.1374 31.4406 175.9471 32 G 3.8502 9.3238 102.0423 45.5818 0.0000 174.5421 33 G 2.3480 7.6417 105.8044 45.8864 0.0000 175.3570 34 Q 3.7526 7.2469 120.1233 56.0268 29.2051 175.8732 35 G 4.5711 7.8811 103.3806 43.8629 0.0000 173.0997 36 Q 4.3578 9.0960 119.3425 54.7995 29.4688 175.1949 37 P 4.5037 0.0000 0.0000 63.1606 31.1814 176.7969 38 K 3.9412 10.1164 127.3231 59.0842 32.5291 175.5704 39 D 4.6027 7.5295 115.7414 51.5557 41.7906 175.4100 40 A 4.0686 8.6421 119.7029 55.6472 17.9626 179.9319 41 T 3.9842 8.0504 113.2133 66.9675 68.9759 175.5238 42 D 4.8783 9.3493 120.2789 57.8700 41.1957 178.5857 43 R 4.0339 8.4888 118.9287 59.3119 30.0162 177.7810 44 C 4.1799 8.1774 116.7163 60.0736 39.6795 175.3035 45 C 4.4297 8.4477 118.3310 59.8403 41.0285 175.8898 46 F 3.3214 7.6992 121.9711 60.9354 38.9528 177.3131 47 V 3.0856 7.8797 118.3524 65.6633 31.1451 177.5650 48 H 3.6970 7.9225 118.1088 59.1805 29.7363 176.7508 49 D 4.2703 8.1384 120.9145 57.7117 40.6131 178.3629 50 C 4.0985 7.8595 116.6737 59.9869 39.9245 175.2277 51 C 4.0731 7.9485 118.9938 60.0560 41.7468 174.8324 52 Y 4.3574 8.1764 118.6451 61.1307 37.2029 178.7334 53 G 3.7696 8.1881 105.8861 48.1164 0.0000 175.3326 54 K 4.2014 8.2335 118.4625 57.1294 33.3267 177.2676 55 L 4.7327 8.0346 119.9110 53.7769 41.0609 176.8048 56 T 3.8088 7.4131 114.4480 64.8108 68.3590 175.0300 *59 N 4.7815 7.9454 116.4883 53.3308 40.3960 174.1318 *61 C 5.2788 7.5345 115.3328 57.1460 38.6797 173.2228 *67 K 4.5583 7.8293 117.7618 55.6097 31.6080 174.6376 68 P 3.8494 0.0000 0.0000 65.3659 31.5327 178.6515 69 K 4.3735 7.7923 115.3752 57.8065 32.4423 178.3907 70 T 4.4268 7.5634 106.3485 61.6609 70.6964 174.0444 71 D 4.2748 8.4994 122.6503 54.1968 41.4237 175.5511 72 R 4.7631 8.7815 125.8978 54.6353 30.1056 175.7934 73 Y 4.6968 7.7382 122.3883 55.6106 40.3955 174.2767 74 S 5.1534 8.7289 113.4104 56.9611 65.8486 172.7473 75 Y 5.4906 8.6863 120.1521 55.8396 41.7232 173.8333 76 S 4.3848 9.7429 114.2504 55.8853 66.0805 173.9251 77 R 5.1491 8.0366 127.7836 55.3964 30.0313 175.6362 78 E 4.3672 7.8550 111.6851 56.7268 30.5864 178.8784 79 N 4.9852 7.7096 114.1188 53.2813 38.4464 176.2873 80 G 4.0208 8.5855 107.1831 45.5551 0.0000 173.7130 81 V 4.4137 7.0796 119.2198 60.7382 33.9929 174.7923 82 I 4.3085 8.5256 129.2528 61.5779 37.8944 175.4991 83 I 4.5591 9.2200 127.6556 59.4723 40.5659 174.1729 84 C 4.7102 9.0090 125.8773 56.9573 40.6008 174.6939 85 G 3.9050 9.1547 113.5824 45.4811 0.0000 172.6680 86 E 4.3177 8.9130 120.4069 55.2242 30.3559 176.6963 87 G 3.9903 7.9806 110.3598 45.4606 0.0000 171.9976 88 T 3.9337 7.8086 109.6676 61.3411 69.3920 173.3266 *90 P 4.3776 0.0000 0.0000 62.9389 33.6468 179.8066 91 C 4.1812 8.2687 115.1601 60.1876 37.5127 175.6674 92 E 4.0336 7.9428 119.4785 59.5417 29.0377 179.6915 93 K 3.8896 7.8958 117.7843 59.7646 32.2089 179.5021 94 Q 3.9202 8.1941 118.2513 58.9082 28.4773 179.0121 95 I 3.6350 8.1888 121.3130 64.3873 37.1628 177.6178 96 C 2.9086 8.1127 119.6964 59.2929 41.0834 175.5297 97 E 3.9365 8.1617 120.0549 58.9780 29.0102 178.8631 98 C 4.1344 7.6970 116.5701 60.0259 40.8911 175.5105 99 D 4.1089 8.1740 120.7333 57.3265 40.4140 178.8745 100 K 3.8146 8.4090 120.0568 59.5669 32.1720 178.7013 101 A 3.8705 7.9762 120.7459 54.6969 18.1332 179.6363 102 A 3.4982 7.7808 118.8226 55.0379 18.5361 179.6254 103 A 3.8860 8.1113 119.4402 55.4521 18.5260 179.8655 104 V 3.5010 8.3098 117.0750 66.3100 31.2313 177.4176 105 C 4.1255 7.6142 117.1700 59.5331 43.1329 175.1154 106 F 4.4684 8.1115 119.7695 60.6747 38.5142 177.3266 107 R 3.9096 7.9941 118.0184 59.8383 29.6997 178.3162 108 E 4.1273 8.6240 116.7993 58.4090 29.7628 177.6255 109 N 5.0301 8.0954 115.6431 52.8991 39.5240 176.5348 110 L 4.2676 8.1611 121.7081 57.3497 41.8277 179.5975 111 R 4.0784 8.0853 114.3983 58.1870 29.6050 177.1506 112 T 4.5072 7.5751 106.0786 60.9497 69.4823 173.5309 113 Y 3.9576 8.0702 127.1688 58.6084 39.4391 175.4527 114 K 4.5523 8.8667 128.7986 52.3124 34.0607 174.6077 115 K 4.3385 8.7107 125.4474 58.3060 32.4327 178.3274 116 R 4.2567 7.8649 112.8722 57.6470 29.2516 176.3463 117 Y 4.4741 7.5975 116.6011 58.5498 38.4912 175.3025 118 M 4.1575 7.8390 120.6473 56.1549 32.6507 175.9609 119 A 4.0553 8.5559 123.5716 52.6950 17.1000 176.6474 120 Y 3.7420 7.4968 118.9239 58.5369 39.2826 174.0836 121 P 3.9050 0.0000 0.0000 63.2353 31.3400 177.0828 *122 D 4.2686 8.2721 126.3598 56.6808 39.9311 176.9391 *124 V 4.1260 7.7357 113.6098 60.7784 33.6093 179.4720 125 L 4.3857 7.9658 117.5761 54.8352 41.6728 175.8261 126 C 4.6289 8.0554 118.5718 56.1838 37.3586 173.9172 127 K 4.5168 8.7662 124.0193 56.2936 32.9421 176.1452 128 K 5.0681 8.4591 122.2164 54.3825 36.2691 174.0852 129 P 4.5474 0.0000 0.0000 61.5944 32.8286 175.5805 130 A 4.1314 8.1636 120.8458 51.7747 18.7902 177.1980 131 E 4.0575 8.3870 124.2256 56.7285 30.3975 177.1152 *132 K 4.4960 8.2129 123.6382 53.1553 33.3010 178.5495 133 C 4.5862 8.8648 116.3251 57.7985 41.0723 174.0330 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 D 8.12 4.93 0.00 3.15 3.07 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 2 L 8.37 4.27 0.00 1.92 2.00 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.18 4.37 0.00 3.53 3.57 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 4 Q 8.75 3.42 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 2.58 2.86 0.00 5 F 9.03 4.54 0.00 3.31 3.39 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 6 G 8.72 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.62 3.84 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 8 M 7.86 4.01 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.19 0.00 9 I 7.40 3.56 1.70 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.10 0.60 0.00 0.00 10 L 7.70 4.67 0.00 1.77 1.78 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.23 4.32 0.00 1.96 1.88 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 12 E 7.86 4.49 0.00 2.01 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 2.26 2.31 0.00 13 T 8.15 4.50 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 1.21 0.00 0.00 14 G 8.32 3.66 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 0.00 0.00 0.00 *16 K 7.46 4.31 0.00 1.64 0.74 0.00 1.18 0.00 0.00 0.71 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 1.23 7.81 17 L 7.92 4.50 0.00 1.94 1.74 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.41 0.00 2.26 2.11 0.00 3.64 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 1.97 0.00 19 F 8.44 4.93 0.00 3.09 3.05 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 20 P 0.00 3.84 0.00 1.67 0.91 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 21 Y 7.00 4.12 0.00 2.83 2.31 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 22 Y 7.70 4.68 0.00 2.92 2.54 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 23 T 9.07 4.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 24 T 7.69 4.67 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 1.14 0.00 0.00 25 Y 8.09 4.32 0.00 3.28 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 26 G 8.69 3.33 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 0.00 27 C 8.89 4.83 0.00 3.22 3.34 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 0.00 28 Y 8.24 4.37 0.00 3.21 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 29 C 9.28 4.45 0.00 3.59 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 30 G 8.51 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 0.00 0.00 0.00 0.00 31 W 7.62 5.15 0.00 3.38 3.34 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 0.00 32 G 9.32 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 33 G 7.64 2.35 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 0.00 34 Q 7.25 3.75 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 35 G 7.88 4.57 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 0.00 0.00 0.00 36 Q 9.10 4.36 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 37 P 0.00 4.50 0.00 1.89 2.05 0.00 3.40 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 38 K 10.12 3.94 0.00 1.23 1.42 0.00 1.54 0.00 0.00 1.41 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.94 7.81 39 D 7.53 4.60 0.00 2.96 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 40 A 8.64 4.07 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.05 3.98 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 0.84 0.00 0.00 42 D 9.35 4.88 0.00 3.21 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 43 R 8.49 4.03 0.00 2.04 2.11 0.00 3.19 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 44 C 8.18 4.18 0.00 2.97 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.45 4.43 0.00 3.58 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 46 F 7.70 3.32 0.00 1.73 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 47 V 7.88 3.09 1.89 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 0.73 0.00 0.00 0.90 0.00 0.00 48 H 7.92 3.70 0.00 3.17 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.14 4.27 0.00 3.01 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 50 C 7.86 4.10 0.00 2.69 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 51 C 7.95 4.07 0.00 2.86 3.03 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 52 Y 8.18 4.36 0.00 3.07 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 53 G 8.19 3.77 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 0.00 0.00 0.00 54 K 8.23 4.20 0.00 1.89 1.84 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.55 7.81 55 L 8.03 4.73 0.00 1.58 1.52 0.83 0.45 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 56 T 7.41 3.81 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 1.20 0.00 0.00 *59 N 7.95 4.78 0.00 2.80 2.85 0.00 0.00 7.59 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 *61 C 7.53 5.28 0.00 3.05 3.01 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 *67 K 7.83 4.56 0.00 1.81 1.78 0.00 1.96 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.40 7.81 68 P 0.00 3.85 0.00 0.77 0.51 0.00 3.37 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 1.75 1.79 0.00 69 K 7.79 4.37 0.00 1.85 1.94 0.00 1.72 0.00 0.00 2.03 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.45 7.81 70 T 7.56 4.43 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 1.24 0.00 0.00 71 D 8.50 4.27 0.00 2.73 2.67 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 72 R 8.78 4.76 0.00 1.84 1.87 0.00 3.51 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.52 0.00 73 Y 7.74 4.70 0.00 3.13 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 74 S 8.73 5.15 0.00 3.96 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 75 Y 8.69 5.49 0.00 3.22 3.09 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 0.00 76 S 9.74 4.38 0.00 3.77 3.66 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 77 R 8.04 5.15 0.00 1.95 1.87 0.00 3.19 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 78 E 7.85 4.37 0.00 1.90 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 2.26 2.11 0.00 79 N 7.71 4.99 0.00 2.80 2.97 0.00 0.00 6.21 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 80 G 8.59 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 81 V 7.08 4.41 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 0.98 0.00 0.00 0.94 0.00 0.00 82 I 8.53 4.31 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.98 0.00 0.00 83 I 9.22 4.56 1.92 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 1.26 1.42 0.94 0.00 0.00 84 C 9.01 4.71 0.00 2.97 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 85 G 9.15 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 86 E 8.91 4.32 0.00 1.95 1.89 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 2.31 2.39 0.00 87 G 7.98 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 0.00 0.00 0.00 88 T 7.81 3.93 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 1.27 0.00 0.00 *90 P 0.00 4.38 0.00 2.22 2.16 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 91 C 8.27 4.18 0.00 2.96 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 92 E 7.94 4.03 0.00 2.29 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 0.00 2.51 2.59 0.00 93 K 7.90 3.89 0.00 1.98 1.83 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 94 Q 8.19 3.92 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 95 I 8.19 3.63 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 1.00 0.00 0.00 96 C 8.11 2.91 0.00 1.89 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 97 E 8.16 3.94 0.00 2.07 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 2.45 2.43 0.00 98 C 7.70 4.13 0.00 3.31 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 99 D 8.17 4.11 0.00 2.70 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 0.00 100 K 8.41 3.81 0.00 1.73 1.71 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.43 7.81 101 A 7.98 3.87 1.29 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 0.00 0.00 102 A 7.78 3.50 1.29 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 0.00 0.00 103 A 8.11 3.89 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 0.00 104 V 8.31 3.50 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 0.94 0.00 0.00 0.93 0.00 0.00 105 C 7.61 4.13 0.00 3.01 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 0.00 106 F 8.11 4.47 0.00 2.95 2.59 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 0.00 107 R 7.99 3.91 0.00 1.99 2.16 0.00 3.10 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 108 E 8.62 4.13 0.00 2.05 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 2.61 0.00 109 N 8.10 5.03 0.00 2.91 2.87 0.00 0.00 6.84 6.86 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 0.00 110 L 8.16 4.27 0.00 1.74 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.09 4.08 0.00 1.92 2.08 0.00 3.07 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 112 T 7.58 4.51 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 1.24 0.00 0.00 113 Y 8.07 3.96 0.00 3.13 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 0.00 114 K 8.87 4.55 0.00 1.65 1.64 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.21 7.81 115 K 8.71 4.34 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.55 7.81 116 R 7.86 4.26 0.00 2.05 2.06 0.00 3.08 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.86 0.00 117 Y 7.60 4.47 0.00 1.75 1.63 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 0.00 118 M 7.84 4.16 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.62 0.00 119 A 8.56 4.06 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 0.00 120 Y 7.50 3.74 0.00 2.84 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 0.00 121 P 0.00 3.90 0.00 1.76 1.71 0.00 2.34 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 *122 D 8.27 4.27 0.00 2.59 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 *124 V 7.74 4.13 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 0.00 125 L 7.97 4.39 0.00 1.44 1.74 0.56 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.06 4.63 0.00 2.81 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 0.00 127 K 8.77 4.52 0.00 1.73 1.74 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.44 7.81 128 K 8.46 5.07 0.00 1.75 1.97 0.00 1.66 0.00 0.00 2.18 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.67 1.51 7.81 129 P 0.00 4.55 0.00 2.19 2.13 0.00 3.77 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 1.99 1.96 0.00 130 A 8.16 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.39 4.06 0.00 1.59 1.57 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 2.24 2.38 0.00 *132 K 8.21 4.50 0.00 1.81 1.57 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.31 1.02 7.81 133 C 8.86 4.59 0.00 2.93 2.91 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 * Residues marked with a * may have inaccurate shift predictions.