NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3378 8.2393 119.0589 54.9473 31.9814 175.5410 8 P 2.9700 0.0000 0.0000 60.8882 33.3460 174.0690 9 N 4.9495 8.1550 117.5019 52.3382 42.9764 175.2187 10 H 4.4509 9.0572 120.6806 58.9522 30.0861 175.4910 11 T 4.9739 8.3548 114.5603 62.2047 70.6306 174.1969 12 I 4.9056 8.5000 118.3841 59.3134 40.9227 173.6316 13 Y 4.3688 8.6439 126.2387 56.3216 40.3230 173.9924 14 I 4.8127 7.8746 128.3819 59.5403 40.1036 174.6999 15 N 5.2612 8.3600 123.7361 50.6476 41.1729 174.5423 16 N 4.0758 8.9071 115.4554 54.5634 37.3325 174.3084 17 L 4.3526 7.6513 115.1894 53.8538 42.7760 176.1629 18 N 4.5074 8.6700 119.7912 53.5175 39.1401 175.8790 19 E 4.1828 8.7024 125.4718 58.6407 29.9418 178.2808 20 K 4.0489 7.7605 117.6028 58.1541 32.2935 177.0099 21 I 3.9541 6.7897 119.8789 59.5348 37.8882 176.6227 22 K 4.1368 8.3211 125.0858 56.2741 34.6261 177.4955 23 K 3.7601 8.6249 121.4416 60.3297 31.9472 178.2615 24 D 4.4307 8.0284 117.0703 56.6305 41.3224 177.6570 25 E 3.9512 8.1083 119.6629 59.2843 29.8385 178.4183 26 L 4.2484 7.9948 120.3815 57.9032 41.9616 178.8752 27 K 3.9904 7.9547 119.2772 59.6618 32.0429 179.1013 28 K 4.1450 8.1501 117.1516 59.0875 32.3034 179.5002 29 S 4.4504 8.3972 115.9114 61.7192 62.8659 176.5472 30 L 4.0830 8.1117 121.2528 58.1381 40.8903 179.0988 31 H 4.1726 8.3104 117.8811 58.9194 29.5040 177.0713 32 A 3.8729 7.9241 121.7258 54.1703 18.6154 178.6404 33 I 4.0404 7.5728 117.2816 63.1620 38.3690 177.3287 34 F 5.0021 8.3131 116.6780 58.6381 38.6653 177.4998 35 S 4.2415 7.6024 114.5132 60.9126 62.9266 175.6357 36 R 4.0141 7.2694 117.9572 58.7495 29.6785 178.0083 37 F 4.2947 7.8365 116.6444 58.2129 39.0730 175.8708 38 G 4.6624 8.1729 110.6397 44.4185 0.0000 171.8140 39 Q 4.1891 8.1017 119.0909 56.5261 29.6519 175.1937 40 I 4.2870 8.2377 124.0483 60.3838 37.7832 175.7578 41 L 4.2125 9.2206 128.4057 57.6609 42.0900 176.7625 42 D 4.6081 7.5573 115.2831 53.3760 44.8375 174.1125 43 I 4.8471 8.2584 122.8878 59.5817 40.0600 175.1020 44 L 4.5447 8.5371 128.3063 53.3991 42.9099 175.9664 45 V 4.4610 8.3907 123.9882 61.0808 33.9370 174.5735 46 S 4.8094 8.8301 121.1941 56.6106 65.1648 172.9029 47 R 4.5864 8.2456 118.3382 55.3355 31.1621 174.9359 48 S 4.3538 7.7825 112.1567 58.1512 63.6061 174.7455 49 L 3.9203 8.5799 122.9251 58.0379 41.6309 178.1976 50 K 4.3615 7.9730 115.1972 57.2829 32.7912 176.9334 51 M 4.7425 7.4709 115.1682 54.6884 32.6888 175.9882 52 R 4.1656 7.9702 116.2893 56.7002 30.7206 176.2399 53 G 3.9600 8.8222 106.5857 46.6986 0.0000 172.8318 54 Q 4.8774 7.8712 115.5385 53.9400 33.1082 174.4364 55 A 4.7424 8.4712 122.4726 50.7366 23.4142 175.4253 56 F 5.2708 8.5741 119.1655 54.4499 41.0400 173.6224 57 V 3.6809 7.8163 123.0522 62.1101 32.4678 174.8628 58 I 4.4003 8.5367 131.4164 60.4773 37.8660 176.2744 59 F 4.7360 8.4081 126.9613 56.7075 40.0888 175.8002 60 K 4.3393 8.4314 119.6493 57.4296 33.0051 176.4094 61 E 4.8235 7.8861 117.6119 53.9766 32.1673 177.1106 62 V 3.6137 8.3580 122.2247 65.7364 31.3558 177.8766 63 S 4.0497 8.1883 112.8360 61.8620 61.9083 176.4130 64 S 4.0706 7.9368 117.2137 61.2828 62.5304 176.4673 65 A 3.5639 7.4438 122.9921 55.1758 18.1435 179.7454 66 T 3.9510 8.1193 115.9432 66.3294 68.5417 176.7456 67 N 4.2818 7.6630 116.7638 56.2982 38.5833 177.3403 68 A 2.5800 7.5148 122.1650 54.3910 18.1032 179.5137 69 L 3.7406 7.3581 118.0029 58.2385 42.2156 179.0629 70 R 4.0121 8.0472 117.3437 59.0593 30.0345 178.7904 71 S 4.4446 8.0699 114.5473 61.3319 63.2866 175.8849 72 M 4.2529 7.6675 118.9251 54.4530 31.7437 175.9476 73 Q 3.9455 7.1266 121.9591 57.2336 29.5243 176.0812 74 G 3.9060 8.9159 113.0639 46.1548 0.0000 172.8568 75 F 4.2487 7.9552 123.2597 56.5038 39.5941 172.9025 76 P 4.3644 0.0000 0.0000 62.6359 30.9611 175.9847 77 F 4.5262 8.8861 126.4440 57.1437 40.9452 174.0958 78 Y 3.3020 8.2308 128.2661 59.3322 34.3524 171.1909 79 D 4.5825 8.1541 115.1275 54.5889 39.6617 174.4135 80 K 4.8085 7.6012 118.2033 53.5605 35.8370 173.9113 81 P 4.7592 0.0000 0.0000 62.9328 32.0984 176.3041 82 M 4.4402 9.1439 123.6068 55.3715 33.6668 175.1999 83 R 5.0138 8.7254 121.2706 54.7242 33.2288 174.1011 84 I 5.0238 8.6702 126.3275 59.7607 40.5046 174.5929 85 Q 4.6643 8.8732 124.8477 53.9758 32.7160 174.2946 86 Y 4.8108 8.2985 116.7207 57.4084 39.7762 175.1625 87 A 4.4407 8.7538 126.0717 52.4514 18.5037 179.0492 88 K 4.1038 9.0388 124.1010 56.9983 32.1028 175.0279 89 T 4.8425 7.4291 106.2004 59.1445 71.9177 173.1535 90 D 4.5031 8.4925 122.1427 54.3396 41.5575 177.6251 91 S 4.3158 8.4937 119.2653 58.1388 64.9070 175.0611 92 D 4.3696 8.6594 124.4112 58.0191 40.4120 179.4615 93 I 3.7308 7.6679 116.7034 63.3816 38.0420 177.4259 94 I 3.9876 7.5254 119.3023 63.8458 37.6335 177.3549 95 A 4.1929 8.3372 122.9478 54.7798 18.2467 178.1383 96 K 4.1589 8.2555 122.7891 54.6863 32.5232 178.2125 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 *7 R 8.24 4.34 0.00 1.85 1.72 0.00 3.22 0.00 0.00 3.22 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 P 0.00 2.97 0.00 1.87 1.48 0.00 3.28 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 9 N 8.16 4.95 0.00 2.75 3.01 0.00 0.00 7.05 7.89 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 10 H 9.06 4.45 0.00 3.26 3.44 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.35 4.97 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 1.43 0.00 0.00 12 I 8.50 4.91 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.89 0.00 0.00 13 Y 8.64 4.37 0.00 3.00 2.75 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 0.00 0.00 0.00 0.00 14 I 7.87 4.81 1.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.29 0.80 0.00 0.00 15 N 8.36 5.26 0.00 2.62 2.55 0.00 0.00 6.51 6.60 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 16 N 8.91 4.08 0.00 2.88 3.08 0.00 0.00 6.91 7.78 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 17 L 7.65 4.35 0.00 1.72 1.71 0.90 1.31 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 18 N 8.67 4.51 0.00 2.88 2.59 0.00 0.00 6.96 7.65 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 19 E 8.70 4.18 0.00 1.98 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 2.31 2.33 0.00 20 K 7.76 4.05 0.00 1.85 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.79 3.95 1.36 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.58 0.00 0.00 22 K 8.32 4.14 0.00 1.96 1.91 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 K 8.62 3.76 0.00 1.81 1.89 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.49 7.81 24 D 8.03 4.43 0.00 2.80 2.65 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 25 E 8.11 3.95 0.00 2.09 2.06 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 2.50 2.44 0.00 26 L 7.99 4.25 0.00 1.94 1.88 1.24 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.95 3.99 0.00 2.11 2.01 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.51 7.81 28 K 8.15 4.14 0.00 1.84 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.31 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.77 7.81 29 S 8.40 4.45 0.00 4.37 4.29 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 30 L 8.11 4.08 0.00 1.79 1.82 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.31 4.17 0.00 3.35 3.48 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.92 3.87 1.46 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 0.00 0.00 0.00 33 I 7.57 4.04 1.44 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 1.55 1.00 0.41 0.00 0.00 34 F 8.31 5.00 0.00 3.17 3.24 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 35 S 7.60 4.24 0.00 3.91 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 36 R 7.27 4.01 0.00 1.76 1.87 0.00 2.21 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 37 F 7.84 4.29 0.00 3.29 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 38 G 8.17 4.66 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 39 Q 8.10 4.19 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 40 I 8.24 4.29 1.66 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.62 0.62 0.00 0.00 41 L 9.22 4.21 0.00 1.59 1.71 0.98 1.22 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 42 D 7.56 4.61 0.00 2.66 2.42 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 43 I 8.26 4.85 1.87 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 1.16 0.69 0.88 0.00 0.00 44 L 8.54 4.54 0.00 1.73 1.67 0.95 0.90 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 45 V 8.39 4.46 2.11 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 0.81 0.00 0.00 0.96 0.00 0.00 46 S 8.83 4.81 0.00 3.86 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 47 R 8.25 4.59 0.00 1.73 1.83 0.00 3.48 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 48 S 7.78 4.35 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 49 L 8.58 3.92 0.00 1.61 1.79 0.93 0.60 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 50 K 7.97 4.36 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.54 7.81 51 M 7.47 4.74 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 52 R 7.97 4.17 0.00 1.95 2.11 0.00 3.24 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 53 G 8.82 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 54 Q 7.87 4.88 0.00 2.03 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 1.91 2.27 0.00 55 A 8.47 4.74 1.04 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 0.00 0.00 0.00 0.00 0.00 56 F 8.57 5.27 0.00 2.93 2.95 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 0.00 0.00 0.00 57 V 7.82 3.68 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 -0.08 0.00 0.00 0.26 0.00 0.00 58 I 8.54 4.40 1.82 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 1.26 0.84 0.93 0.00 0.00 59 F 8.41 4.74 0.00 3.15 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 60 K 8.43 4.34 0.00 1.64 1.91 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 61 E 7.89 4.82 0.00 2.02 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 2.34 2.23 0.00 62 V 8.36 3.61 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 1.09 0.00 0.00 0.60 0.00 0.00 63 S 8.19 4.05 0.00 3.91 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 64 S 7.94 4.07 0.00 3.61 3.51 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 65 A 7.44 3.56 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 66 T 8.12 3.95 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 1.28 0.00 0.00 67 N 7.66 4.28 0.00 2.93 3.03 0.00 0.00 6.96 6.97 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 68 A 7.51 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.36 3.74 0.00 1.44 1.63 -0.05 0.89 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 70 R 8.05 4.01 0.00 1.94 1.96 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 71 S 8.07 4.44 0.00 4.02 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 72 M 7.67 4.25 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.30 0.00 73 Q 7.13 3.95 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 74 G 8.92 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 75 F 7.96 4.25 0.00 3.02 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 76 P 0.00 4.36 0.00 1.75 1.86 0.00 2.91 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 77 F 8.89 4.53 0.00 3.10 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 78 Y 8.23 3.30 0.00 3.04 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 79 D 8.15 4.58 0.00 2.83 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 80 K 7.60 4.81 0.00 1.78 1.85 0.00 1.70 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 81 P 0.00 4.76 0.00 2.10 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 82 M 9.14 4.44 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.58 0.00 83 R 8.73 5.01 0.00 1.88 1.96 0.00 3.09 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 84 I 8.67 5.02 1.81 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 1.29 0.77 0.77 0.00 0.00 85 Q 8.87 4.66 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 86 Y 8.30 4.81 0.00 2.94 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 87 A 8.75 4.44 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 88 K 9.04 4.10 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.43 4.84 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 1.21 0.00 0.00 90 D 8.49 4.50 0.00 2.70 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 91 S 8.49 4.32 0.00 3.87 3.75 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 0.00 0.00 0.00 0.00 92 D 8.66 4.37 0.00 2.72 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 93 I 7.67 3.73 1.85 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 1.63 0.73 0.90 0.00 0.00 94 I 7.53 3.99 1.85 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 1.56 0.94 0.79 0.00 0.00 95 A 8.34 4.19 1.33 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 96 K 8.26 4.16 0.00 1.72 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.