NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4860 8.1744 110.9406 61.1410 71.4371 172.5867 6 Y 4.7378 7.3317 130.2495 55.7931 44.2590 173.1349 7 E 4.7088 9.0827 112.6668 54.7146 32.5352 174.6817 8 I 3.4741 8.0987 123.2851 61.6523 37.7412 176.4450 9 S 4.6608 9.7173 120.2581 56.9598 66.0357 175.2765 10 S 4.3234 8.6079 114.9060 61.6316 61.9753 175.6147 11 A 4.4540 7.8017 121.9626 54.7046 18.0423 179.4023 12 E 3.8502 7.9967 116.2656 58.9804 29.6365 178.8449 13 W 4.2891 7.9023 118.5000 60.1805 29.1831 177.3792 14 E 4.0690 8.2635 119.1126 59.0455 29.0090 178.3515 15 V 3.3302 8.0432 116.3427 64.3870 32.5702 177.6039 *17 N 5.1570 8.1725 116.2477 53.0449 40.5185 176.8996 18 I 3.9956 7.4628 118.1290 64.1750 37.5976 177.5961 19 I 3.8936 7.5864 120.7636 63.9361 36.9911 176.8358 20 W 5.0134 7.2510 119.4583 57.4022 28.8062 177.3421 *22 K 4.2344 8.0498 116.5459 54.8933 33.4462 177.6617 23 K 4.0300 8.0019 121.3019 58.0240 31.8238 175.5911 24 Y 5.1399 7.6406 113.7194 56.5625 41.1960 174.6995 25 A 4.9847 9.4993 125.5032 50.3796 23.4059 175.3387 26 S 4.9898 8.9122 114.0331 56.3842 65.6055 175.1433 27 A 3.9596 8.8554 121.9232 55.4669 18.0665 179.7235 28 N 4.4068 8.1668 114.5248 56.3104 38.8128 177.2156 29 N 4.3803 8.1998 117.5271 56.5167 38.6926 177.3424 30 I 3.7827 8.0578 121.2797 64.3208 37.1642 178.6207 31 I 3.7787 7.6312 120.3997 64.0601 36.6841 178.0338 32 E 3.8611 7.9762 119.2928 59.3877 29.6386 178.2111 33 E 4.0574 7.8490 117.7653 59.3971 29.9509 178.5380 34 I 3.7749 7.8954 119.8903 63.8213 38.0024 177.2335 35 Q 4.9949 8.0986 121.0675 55.1149 25.4641 176.0211 *37 Q 4.2462 7.6778 121.3178 55.0169 31.7327 174.9190 38 K 4.3031 7.8187 116.3537 54.4629 35.1009 175.9841 39 D 4.8019 8.2157 122.4226 53.5738 40.4223 176.6043 40 W 5.0055 7.4767 118.4280 54.9489 31.5401 177.2201 41 S 4.5387 8.4108 116.6238 57.3324 63.7413 173.4539 42 P 4.3290 0.0000 0.0000 65.7692 30.9852 177.9686 43 K 3.7729 8.4056 117.4143 59.8762 31.9489 178.4203 44 T 3.7796 8.0581 114.7368 67.0188 68.8237 176.4775 45 I 3.8401 7.6435 120.9621 64.4192 37.1283 178.8075 46 R 3.9553 8.7232 119.4433 59.2925 29.8784 179.0966 47 T 3.9340 8.4888 116.1044 66.6352 68.4098 176.6104 48 L 3.9464 7.6933 120.5012 57.7047 41.6305 179.6353 49 I 3.5802 7.4975 119.5490 64.2855 36.9348 178.6252 50 T 3.9224 8.3112 117.0436 66.6687 68.4010 176.6942 51 R 3.9028 8.0169 120.5264 59.5463 29.9904 178.5062 52 L 3.9695 7.9427 118.7179 57.7692 41.5263 179.0412 53 Y 4.3836 7.9569 119.4439 60.8552 38.6544 178.0473 54 K 3.8533 8.3934 118.2702 58.6788 32.1886 178.4574 55 K 4.3684 7.8990 116.2845 56.1850 32.3020 177.4702 56 G 3.8797 8.2564 109.4426 44.8654 0.0000 175.4426 57 F 3.8509 8.0322 118.9609 60.2629 39.9366 175.0341 58 I 5.0888 7.4540 109.5295 59.4100 41.3149 173.4436 59 D 5.2578 8.2357 121.1806 52.5049 45.4892 173.9865 60 R 4.6497 8.3049 116.5225 54.1126 31.2033 174.8526 61 K 4.5116 9.1296 126.2374 53.9231 34.2836 176.3364 62 K 4.5532 8.5682 126.4956 56.2869 32.0247 178.9856 63 D 4.9087 9.0357 108.3326 54.6916 39.6404 175.2590 64 N 4.3834 8.5442 123.2614 52.9486 37.5558 176.1898 65 K 3.6832 9.4937 116.2262 60.0107 31.9612 178.8521 66 I 4.5797 8.6186 121.4077 59.6760 40.8871 174.9309 67 F 4.9366 8.5447 121.1947 57.9691 40.0543 174.4431 68 Q 4.9109 8.9504 121.7787 54.4239 32.4257 174.0583 69 Y 5.3960 10.1665 121.9335 56.9596 40.6378 174.2748 70 Y 5.1635 8.6536 119.4478 55.3133 42.2470 173.9888 71 S 4.5896 8.7037 115.0792 58.4578 62.9463 173.5828 72 L 4.7297 8.9286 124.9307 54.3437 43.0680 176.5425 73 V 4.4234 7.5260 117.9015 60.5276 34.1287 175.3587 74 E 4.1596 8.6401 125.9946 55.7764 30.5273 177.1326 75 E 2.6790 8.5379 125.1029 59.4124 29.4528 178.9364 76 S 4.0355 7.8742 114.1981 61.6607 62.7366 176.1055 77 D 4.6257 7.9136 120.3225 56.4566 41.1367 178.4053 78 I 3.9414 7.8123 118.6512 63.4921 37.9497 178.0331 79 K 4.2073 8.1326 119.5361 59.2279 31.8414 178.4965 80 Y 4.1948 7.8962 119.5845 60.8076 38.8102 177.9815 81 K 3.5509 8.4088 120.6825 59.8491 32.1335 178.8761 82 T 4.0233 8.0032 115.9971 66.7298 68.3484 176.9529 83 S 4.2737 8.3253 117.2514 61.3771 62.7370 176.7575 84 K 3.8466 8.1289 121.5014 59.6068 31.8054 178.9518 85 N 4.3066 8.0707 116.4692 56.3167 38.5092 177.1286 86 F 4.1494 8.6547 122.2895 61.5576 39.3454 177.2377 87 I 3.7046 8.2619 119.6988 64.4090 36.6780 178.0107 88 N 4.3000 8.2647 117.1628 56.1312 38.7942 176.2922 89 K 4.0834 7.6919 120.2603 57.9054 32.4953 177.9845 90 V 3.7127 7.1660 116.9383 63.6655 32.5443 175.5222 91 Y 4.4968 6.6909 114.5269 56.7757 39.0833 175.3069 92 K 4.6398 8.5960 122.6903 56.1181 32.7506 176.9575 93 G 4.5592 7.3746 100.9555 43.7623 0.0000 175.0116 94 G 3.9573 8.0473 110.7068 44.4229 0.0000 173.8302 95 F 4.0361 8.9717 118.8183 61.8396 38.9349 177.4591 96 N 4.1579 8.2685 115.1543 56.4036 38.3642 177.1751 97 S 4.0261 7.8629 116.3102 61.5767 62.8842 176.5432 98 L 2.7274 7.1355 122.1980 57.7691 41.6310 179.0423 99 V 3.3262 7.2216 118.0863 65.7119 31.4810 177.8000 100 L 3.8990 7.9206 120.3001 57.9702 41.9445 178.5219 101 N 4.3330 8.3850 117.3957 56.4897 38.9623 176.6766 102 F 3.8282 8.4672 122.3404 61.3726 39.3629 177.0650 103 V 3.7183 7.9527 116.7098 66.3884 31.3332 177.5898 104 E 4.1064 8.0027 116.7746 58.8331 29.3356 178.7999 105 K 4.1396 7.6722 117.6123 56.6250 32.7895 176.6723 106 E 4.3717 7.7036 120.0156 54.2991 30.8280 176.1849 107 D 4.5926 8.3071 126.5329 52.9082 39.5037 175.4215 108 L 4.3373 7.8307 123.1849 54.3195 42.8402 177.4003 109 S 4.7000 8.5745 115.6294 57.1926 66.0408 175.0673 110 Q 3.9186 8.4890 122.9598 59.6640 28.7553 178.3747 111 D 4.4287 8.0238 119.3398 57.0114 40.9596 178.4706 112 E 3.9882 8.3974 119.6607 59.4455 29.7104 179.2497 113 I 3.7481 8.4592 120.2631 64.3398 37.2181 178.1375 114 E 4.0109 8.2672 120.2824 59.1134 29.5639 178.6803 115 E 4.0020 8.2220 118.8361 59.1419 29.3354 178.8454 116 L 3.9419 7.9781 119.0568 58.2745 41.7871 179.6953 117 R 3.9397 7.9229 117.0673 59.5432 29.8993 178.8063 118 N 4.3266 8.0528 115.6041 56.5824 38.3421 177.5029 119 I 3.7159 7.4892 119.6407 64.2056 37.1996 178.0912 120 L 4.2139 7.4560 119.0726 57.2400 41.6650 178.5705 121 N 4.5432 8.1050 115.2441 54.5818 39.3196 175.4791 122 K 4.4423 7.4158 121.5991 54.6550 32.1394 176.7952 123 K 3.9741 7.6608 122.3452 57.9101 31.8258 174.5657 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 5 T 8.17 4.49 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 Y 7.33 4.74 0.00 2.87 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 0.00 0.00 0.00 7 E 9.08 4.71 0.00 2.03 1.65 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 1.86 2.24 0.00 8 I 8.10 3.47 0.78 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.10 -0.11 0.00 0.00 9 S 9.72 4.66 0.00 3.83 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 10 S 8.61 4.32 0.00 4.01 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 11 A 7.80 4.45 1.08 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 12 E 8.00 3.85 0.00 1.67 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 2.08 2.21 0.00 13 W 7.90 4.29 0.00 3.48 3.22 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 0.00 0.00 0.00 0.00 14 E 8.26 4.07 0.00 2.38 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 0.00 2.20 2.37 0.00 15 V 8.04 3.33 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 0.83 0.00 0.00 1.00 0.00 0.00 *17 N 8.17 5.16 0.00 3.19 3.06 0.00 0.00 7.05 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 18 I 7.46 4.00 2.02 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 1.31 0.48 0.92 0.00 0.00 19 I 7.59 3.89 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.80 0.00 0.00 20 W 7.25 5.01 0.00 3.54 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 *22 K 8.05 4.23 0.00 1.84 2.10 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.59 7.81 23 K 8.00 4.03 0.00 2.10 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 24 Y 7.64 5.14 0.00 2.86 2.79 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 0.00 0.00 0.00 0.00 25 A 9.50 4.98 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 26 S 8.91 4.99 0.00 4.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.86 3.96 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 28 N 8.17 4.41 0.00 2.79 2.90 0.00 0.00 7.15 6.92 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 29 N 8.20 4.38 0.00 3.03 2.92 0.00 0.00 7.16 7.34 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 30 I 8.06 3.78 2.05 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.87 0.00 0.00 31 I 7.63 3.78 2.02 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 1.44 0.69 0.97 0.00 0.00 32 E 7.98 3.86 0.00 2.09 2.15 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 2.32 2.32 0.00 33 E 7.85 4.06 0.00 2.18 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 2.33 2.39 0.00 34 I 7.90 3.77 2.04 0.00 0.00 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 1.43 0.46 0.79 0.00 0.00 35 Q 8.10 4.99 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 *37 Q 7.68 4.25 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.72 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 38 K 7.82 4.30 0.00 0.79 0.74 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.78 0.43 7.81 39 D 8.22 4.80 0.00 2.71 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 40 W 7.48 5.01 0.00 3.35 2.92 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 41 S 8.41 4.54 0.00 4.04 4.06 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 0.00 0.00 0.00 0.00 42 P 0.00 4.33 0.00 2.20 2.16 0.00 3.65 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 2.13 2.16 0.00 43 K 8.41 3.77 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.56 7.81 44 T 8.06 3.78 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 0.93 0.00 0.00 45 I 7.64 3.84 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.95 0.00 0.00 46 R 8.72 3.96 0.00 1.93 1.97 0.00 3.15 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 47 T 8.49 3.93 4.37 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 1.16 0.00 0.00 48 L 7.69 3.95 0.00 1.85 1.62 0.82 0.47 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 49 I 7.50 3.58 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.95 -0.05 0.00 0.00 50 T 8.31 3.92 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 1.29 0.00 0.00 51 R 8.02 3.90 0.00 2.13 1.87 0.00 3.15 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 1.59 1.70 0.00 52 L 7.94 3.97 0.00 1.76 1.67 0.49 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.96 4.38 0.00 3.25 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 54 K 8.39 3.85 0.00 1.86 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.79 1.66 7.81 55 K 7.90 4.37 0.00 2.01 2.00 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.70 7.81 56 G 8.26 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 57 F 8.03 3.85 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 58 I 7.45 5.09 2.02 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 1.23 0.90 0.86 0.00 0.00 59 D 8.24 5.26 0.00 2.20 1.77 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 60 R 8.30 4.65 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.54 0.00 61 K 9.13 4.51 0.00 1.51 1.48 0.00 1.30 0.00 0.00 1.17 0.00 0.00 2.29 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.22 7.81 62 K 8.57 4.55 0.00 2.00 1.09 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.53 7.81 63 D 9.04 4.91 0.00 2.68 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 64 N 8.54 4.38 0.00 2.92 2.72 0.00 0.00 7.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 9.49 3.68 0.00 1.72 1.39 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 66 I 8.62 4.58 1.90 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 1.43 0.59 0.99 0.00 0.00 67 F 8.54 4.94 0.00 2.87 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 68 Q 8.95 4.91 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 69 Y 10.17 5.40 0.00 3.03 2.85 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 70 Y 8.65 5.16 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 4.59 0.00 4.00 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 72 L 8.93 4.73 0.00 1.61 1.57 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.53 4.42 2.41 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 0.96 0.00 0.00 0.72 0.00 0.00 74 E 8.64 4.16 0.00 2.08 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 2.42 2.31 0.00 75 E 8.54 2.68 0.00 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 76 S 7.87 4.04 0.00 3.83 3.83 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 77 D 7.91 4.63 0.00 2.81 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 78 I 7.81 3.94 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 1.32 0.00 0.00 79 K 8.13 4.21 0.00 1.92 1.77 0.00 1.56 0.00 0.00 1.42 0.00 0.00 3.15 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.54 1.57 7.81 80 Y 7.90 4.19 0.00 3.03 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 81 K 8.41 3.55 0.00 1.90 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 82 T 8.00 4.02 4.55 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 1.37 0.00 0.00 83 S 8.33 4.27 0.00 4.05 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 84 K 8.13 3.85 0.00 1.72 1.71 0.00 1.38 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.79 0.60 7.81 85 N 8.07 4.31 0.00 3.04 2.92 0.00 0.00 6.73 8.28 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 86 F 8.65 4.15 0.00 3.16 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 87 I 8.26 3.70 2.16 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 1.00 0.00 0.00 88 N 8.26 4.30 0.00 2.69 3.09 0.00 0.00 7.18 7.29 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 89 K 7.69 4.08 0.00 1.77 1.91 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 90 V 7.17 3.71 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 0.09 0.00 0.00 0.61 0.00 0.00 91 Y 6.69 4.50 0.00 2.94 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 92 K 8.60 4.64 0.00 1.68 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.40 7.81 93 G 7.37 4.56 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 0.00 94 G 8.05 3.96 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 0.00 95 F 8.97 4.04 0.00 3.12 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 96 N 8.27 4.16 0.00 2.78 2.83 0.00 0.00 7.12 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 97 S 7.86 4.03 0.00 4.07 3.96 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 98 L 7.14 2.73 0.00 0.65 1.28 1.13 0.61 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 99 V 7.22 3.33 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 0.89 0.00 0.00 0.10 0.00 0.00 100 L 7.92 3.90 0.00 1.80 1.83 0.94 0.39 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 0.00 101 N 8.38 4.33 0.00 2.93 3.08 0.00 0.00 6.84 8.57 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 0.00 102 F 8.47 3.83 0.00 3.20 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 0.00 103 V 7.95 3.72 2.15 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 0.91 0.00 0.00 1.04 0.00 0.00 104 E 8.00 4.11 0.00 2.01 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 2.34 2.56 0.00 105 K 7.67 4.14 0.00 1.87 1.65 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.41 7.81 106 E 7.70 4.37 0.00 1.23 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 2.19 2.09 0.00 107 D 8.31 4.59 0.00 2.63 2.56 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 0.00 108 L 7.83 4.34 0.00 1.71 1.64 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.57 4.70 0.00 4.06 4.05 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 0.00 110 Q 8.49 3.92 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 111 D 8.02 4.43 0.00 2.81 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 0.00 112 E 8.40 3.99 0.00 2.26 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 2.34 2.36 0.00 113 I 8.46 3.75 2.06 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 1.43 1.29 0.92 0.00 0.00 114 E 8.27 4.01 0.00 2.33 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 2.30 2.39 0.00 115 E 8.22 4.00 0.00 2.21 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 2.32 2.35 0.00 116 L 7.98 3.94 0.00 1.88 1.73 0.92 0.68 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 0.00 117 R 7.92 3.94 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 118 N 8.05 4.33 0.00 2.98 2.86 0.00 0.00 7.01 6.81 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 0.00 119 I 7.49 3.72 2.05 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 1.50 0.60 0.90 0.00 0.00 120 L 7.46 4.21 0.00 1.68 1.73 0.94 1.18 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 0.00 121 N 8.10 4.54 0.00 2.84 2.87 0.00 0.00 6.98 7.16 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 0.00 122 K 7.42 4.44 0.00 1.67 1.78 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.74 7.81 123 K 7.66 3.97 0.00 1.81 1.71 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.12 1.19 7.81 * Residues marked with a * may have inaccurate shift predictions.