NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0808 8.2431 120.8611 54.4960 31.9527 176.4643 4 G 3.7739 8.0895 106.4566 43.9706 0.0000 166.7820 5 V 4.3597 8.1852 117.6028 60.8487 35.2198 172.9654 6 N 4.8273 8.6197 123.4438 51.6976 40.4313 173.0636 7 K 4.8799 8.3758 125.9088 54.6963 35.8454 175.3630 8 V 4.5014 8.6031 125.5864 61.1731 34.9664 174.0256 9 I 4.9284 8.3215 127.2124 59.5188 40.3561 174.7958 10 L 4.6735 8.2813 125.1637 53.0990 46.5158 175.5940 11 V 4.6029 8.0598 121.5001 61.8604 34.2793 174.3199 12 G 4.0647 8.3275 114.5648 46.1749 0.0000 170.8808 13 N 5.6005 7.9035 115.2947 51.0412 41.2648 175.2774 14 L 4.4109 8.4561 121.3307 55.3388 42.5024 177.9939 15 G 4.2484 8.6918 107.8632 47.7357 0.0000 174.2251 16 Q 4.7497 8.1499 115.2984 54.5805 31.0626 173.5104 17 D 4.5988 8.7498 120.4259 53.5331 41.6882 175.1077 18 P 4.4614 0.0000 0.0000 63.2301 32.1589 176.7040 19 E 4.6047 8.9451 123.2077 55.2584 27.9799 175.5064 20 V 4.3456 7.5973 114.0750 61.4133 33.1455 177.2732 21 R 4.5792 9.3532 123.6637 55.1213 34.0861 174.2850 22 Y 4.4921 8.9373 123.2600 57.8868 38.4608 175.7856 23 M 3.9129 8.8381 125.1640 58.4469 32.6182 175.3407 *28 A 4.2306 7.4788 116.7151 52.4754 20.4299 175.3177 29 V 4.4525 7.7664 112.7722 62.4817 35.6336 172.2074 30 A 5.2183 8.7831 129.6879 50.2702 22.3901 174.7470 31 N 5.4953 8.5760 116.8313 51.3733 42.0802 173.8448 32 I 4.8239 8.8662 116.5062 59.5204 41.9667 174.2895 33 T 5.7017 8.3514 119.0546 59.5254 68.0798 172.6879 34 L 4.6767 8.4049 127.1435 54.2853 43.1685 175.4957 35 A 4.8638 8.8924 124.0462 50.1098 22.0346 175.1920 36 T 4.2252 8.2576 112.9237 59.9393 71.0345 174.4824 37 S 4.4156 8.2706 123.6198 58.2390 64.0461 172.4270 38 E 4.6026 7.7096 118.6323 55.5712 33.4752 174.4140 39 S 5.2549 8.2532 116.9589 58.6301 63.9519 177.1452 *50 E 4.2627 8.0147 121.9695 56.8459 31.2558 176.7900 51 Q 2.9032 7.6849 117.9613 56.8761 25.8974 175.8631 52 T 3.6588 7.8448 117.6812 64.5504 69.3075 173.7440 53 E 4.7600 8.0636 125.9679 54.3659 32.6651 174.2630 54 W 5.3114 8.6083 121.0856 55.1595 33.1021 174.7316 55 H 4.8900 10.1542 119.8858 54.2347 32.6740 173.0148 56 R 4.6991 8.6771 122.9178 55.0905 30.3086 173.8780 57 V 4.5717 9.0674 126.0624 61.1228 33.8048 174.4234 58 V 4.4108 8.8656 127.9323 61.2928 33.7439 174.5509 59 L 4.5408 8.3413 130.0302 52.7482 41.8148 177.7236 60 F 4.9374 8.6060 129.3716 58.7742 39.2754 174.8396 61 G 3.8994 8.1340 109.9698 44.4206 0.0000 175.9898 62 K 3.8456 8.5990 119.6205 60.1588 32.0967 178.8458 63 L 3.8664 8.1526 119.2212 57.2220 41.4553 179.3271 64 A 4.0263 7.9271 120.9478 54.8808 18.6018 179.0019 65 E 3.7699 8.0517 117.5605 59.8274 29.5996 179.9170 66 V 3.2026 7.7396 116.9797 65.7880 31.5791 177.3919 67 A 3.9741 7.4728 119.4054 55.2771 17.9883 179.6181 68 S 4.0006 7.7253 110.8688 61.7495 63.1189 175.8361 69 E 3.9763 8.0690 122.2066 58.1656 29.2140 178.1920 70 Y 4.9226 7.6103 111.0657 56.4195 40.2838 175.4065 71 L 3.7518 8.5497 124.0034 53.9422 41.3826 173.3738 72 R 3.8480 7.9245 128.9101 56.8758 30.6173 175.5876 73 K 4.4433 9.0662 124.5169 56.1823 32.3696 173.4474 74 G 4.2487 8.3823 114.5562 45.3218 0.0000 174.2916 75 S 4.1752 7.5499 114.6130 58.9677 64.0173 174.0997 76 Q 4.6380 8.7544 125.3292 56.0826 30.3470 174.7332 77 V 4.9469 8.9150 117.7548 60.3506 37.0373 172.7062 78 Y 4.9122 8.6902 122.8927 56.0594 41.6765 174.5246 79 I 4.9386 7.7761 125.5687 59.5631 42.1106 173.6412 80 E 4.8490 8.7763 126.6571 54.7708 32.8320 174.9180 81 G 4.4317 8.4538 112.5402 46.1162 0.0000 171.7060 82 Q 5.0322 8.3291 118.0178 53.8382 33.4391 174.8178 83 L 4.7173 9.0060 122.2241 54.4784 42.4140 176.6019 84 R 4.5721 9.5301 124.4607 54.8028 32.9896 173.8605 85 T 5.3546 8.7258 123.1106 61.9407 71.3880 172.9314 86 R 4.9295 8.9830 124.2695 54.1130 32.1658 175.1326 87 K 4.8576 8.6366 121.8772 55.2659 34.3328 176.0168 88 W 5.0931 9.9257 122.4414 54.6262 30.8647 174.4283 89 T 3.8800 8.4949 116.0802 61.8649 68.5954 173.4774 90 D 4.6573 8.9399 125.6735 51.4227 42.2433 177.1741 91 Q 4.0230 8.8912 117.2236 59.6521 28.4911 179.6057 92 S 4.1590 8.0056 108.0225 59.0605 62.3985 174.7365 93 G 3.8602 9.0619 108.9811 45.9188 0.0000 173.4848 94 Q 4.5819 7.4330 117.7148 54.0160 31.2903 174.5866 95 D 4.6375 8.4972 121.7059 54.3363 41.3533 175.8609 96 R 4.8725 7.7593 120.9700 54.4386 34.0726 174.3606 97 Y 5.5119 9.0174 117.9908 56.6480 41.7896 174.7112 98 T 4.6724 9.4459 117.7859 60.5584 70.3028 172.3086 99 T 5.0964 8.9029 123.5631 59.7870 68.8367 173.0555 100 E 4.8997 10.0292 126.9119 54.8415 34.3521 174.6794 101 V 4.6637 8.3242 113.3584 59.9367 33.6045 175.7079 102 V 4.2252 8.4300 119.8577 59.9588 33.0828 176.0573 103 V 4.3543 8.0852 124.1093 62.8071 30.6625 174.9658 104 N 4.5858 8.6406 124.9809 54.5439 37.4725 176.9151 105 V 4.3219 9.0580 104.1327 60.3503 34.4896 173.9238 106 G 3.8178 8.3420 114.1932 44.3891 0.0000 175.3404 107 G 4.0622 7.6036 107.6263 46.0784 0.0000 171.1292 108 T 4.7691 8.6823 112.9775 61.4287 71.4597 171.5804 109 M 5.3471 8.5620 123.0291 53.9898 35.8592 174.5370 110 Q 4.5172 8.7117 125.9755 55.0900 32.5852 173.6433 111 M 4.5246 8.8958 126.7015 55.5863 33.0342 176.5253 112 L 4.4430 7.9667 120.0237 54.9930 42.3410 176.4621 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 3 R 8.24 4.08 0.00 1.79 2.03 0.00 3.36 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 1.52 1.64 0.00 4 G 8.09 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 5 V 8.19 4.36 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 0.84 0.00 0.00 0.94 0.00 0.00 6 N 8.62 4.83 0.00 2.66 2.67 0.00 0.00 6.73 6.68 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 7 K 8.38 4.88 0.00 1.74 1.58 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.41 7.81 8 V 8.60 4.50 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 0.83 0.00 0.00 0.90 0.00 0.00 9 I 8.32 4.93 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.80 0.00 0.00 10 L 8.28 4.67 0.00 1.38 1.28 0.60 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.06 4.60 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 0.85 0.00 0.00 1.04 0.00 0.00 12 G 8.33 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 0.00 0.00 0.00 13 N 7.90 5.60 0.00 2.66 2.82 0.00 0.00 7.47 6.62 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 14 L 8.46 4.41 0.00 1.75 1.66 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.69 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 0.00 0.00 0.00 16 Q 8.15 4.75 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 17 D 8.75 4.60 0.00 2.70 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 18 P 0.00 4.46 0.00 2.08 2.07 0.00 3.76 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 2.00 2.16 0.00 19 E 8.95 4.60 0.00 2.02 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 2.24 2.26 0.00 20 V 7.60 4.35 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 0.72 0.00 0.00 1.04 0.00 0.00 21 R 9.35 4.58 0.00 1.71 1.86 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 22 Y 8.94 4.49 0.00 2.77 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 23 M 8.84 3.91 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 *28 A 7.48 4.23 0.65 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 0.00 0.00 29 V 7.77 4.45 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 0.79 0.00 0.00 1.15 0.00 0.00 30 A 8.78 5.22 1.22 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 0.00 0.00 31 N 8.58 5.50 0.00 2.74 2.66 0.00 0.00 6.63 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 32 I 8.87 4.82 1.89 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 1.25 0.95 0.91 0.00 0.00 33 T 8.35 5.70 4.30 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 1.26 0.00 0.00 34 L 8.40 4.68 0.00 1.68 1.58 0.84 0.78 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 35 A 8.89 4.86 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.23 4.16 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 1.17 0.00 0.00 37 S 8.27 4.42 0.00 3.81 3.78 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 38 E 7.71 4.60 0.00 1.99 1.80 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 2.20 2.22 0.00 39 S 8.25 5.25 0.00 4.12 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 *50 E 8.01 4.26 0.00 2.14 2.39 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 2.26 2.24 0.00 51 Q 7.68 2.90 0.00 2.14 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 52 T 7.84 3.66 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 0.87 0.00 0.00 53 E 8.06 4.76 0.00 2.15 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 2.11 2.32 0.00 54 W 8.61 5.31 0.00 3.17 3.18 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 55 H 10.15 4.89 0.00 3.15 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.68 4.70 0.00 1.90 1.81 0.00 3.14 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 57 V 9.07 4.57 2.05 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 0.94 0.00 0.00 0.91 0.00 0.00 58 V 8.87 4.41 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 0.65 0.00 0.00 0.85 0.00 0.00 59 L 8.34 4.54 0.00 1.62 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.61 4.94 0.00 3.26 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 61 G 8.13 3.90 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 0.00 0.00 0.00 62 K 8.60 3.85 0.00 1.93 2.06 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 63 L 8.15 3.87 0.00 1.69 1.81 0.95 0.92 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 64 A 7.93 4.03 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 65 E 8.05 3.77 0.00 1.95 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 2.09 2.40 0.00 66 V 7.74 3.20 2.24 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 1.19 0.00 0.00 0.97 0.00 0.00 67 A 7.47 3.97 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 68 S 7.73 4.00 0.00 4.08 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 69 E 8.07 3.98 0.00 1.52 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 2.00 2.12 0.00 70 Y 7.61 4.92 0.00 2.92 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 71 L 8.55 3.75 0.00 1.64 1.51 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.92 3.85 0.00 2.10 2.00 0.00 3.27 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 73 K 9.07 4.44 0.00 2.04 1.92 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.58 7.81 74 G 8.38 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 0.00 0.00 0.00 75 S 7.55 4.18 0.00 3.93 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 76 Q 8.75 4.64 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 77 V 8.91 4.95 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 0.72 0.00 0.00 0.96 0.00 0.00 78 Y 8.69 4.91 0.00 3.00 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 79 I 7.78 4.94 1.70 0.00 0.00 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 1.05 0.48 0.79 0.00 0.00 80 E 8.78 4.85 0.00 2.08 1.76 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 2.20 2.25 0.00 81 G 8.45 4.43 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 0.00 82 Q 8.33 5.03 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 83 L 9.01 4.72 0.00 1.70 1.62 0.93 0.84 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 84 R 9.53 4.57 0.00 1.80 1.72 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 85 T 8.73 5.35 4.31 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 1.38 0.00 0.00 86 R 8.98 4.93 0.00 1.91 2.06 0.00 2.77 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 87 K 8.64 4.86 0.00 0.79 1.44 0.00 1.19 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.15 7.81 88 W 9.93 5.09 0.00 3.29 3.25 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 T 8.49 3.88 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 1.15 0.00 0.00 90 D 8.94 4.66 0.00 2.53 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 0.00 0.00 0.00 0.00 91 Q 8.89 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.33 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 92 S 8.01 4.16 0.00 4.24 3.86 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 93 G 9.06 3.86 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 0.00 0.00 0.00 94 Q 7.43 4.58 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 95 D 8.50 4.64 0.00 2.54 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 96 R 7.76 4.87 0.00 0.67 1.59 0.00 3.16 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.30 0.00 97 Y 9.02 5.51 0.00 2.70 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 98 T 9.45 4.67 4.15 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 1.20 0.00 0.00 99 T 8.90 5.10 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 1.24 0.00 0.00 100 E 10.03 4.90 0.00 1.80 2.07 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 2.14 2.40 0.00 101 V 8.32 4.66 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 0.69 0.00 0.00 0.93 0.00 0.00 102 V 8.43 4.23 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 0.68 0.00 0.00 0.95 0.00 0.00 103 V 8.09 4.35 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 0.98 0.00 0.00 0.87 0.00 0.00 104 N 8.64 4.59 0.00 3.02 2.57 0.00 0.00 7.18 7.71 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 0.00 105 V 9.06 4.32 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 0.80 0.00 0.00 0.96 0.00 0.00 106 G 8.34 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.60 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 0.00 0.00 0.00 108 T 8.68 4.77 4.30 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 1.36 0.00 0.00 109 M 8.56 5.35 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 110 Q 8.71 4.52 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 111 M 8.90 4.52 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 112 L 7.97 4.44 0.00 1.73 1.52 0.99 0.88 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 * Residues marked with a * may have inaccurate shift predictions.