NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9633 8.3393 109.7325 45.5381 0.0000 176.5242 0 H 4.0791 8.8744 115.0983 57.2538 27.7887 174.6994 2 S 3.6054 8.6412 113.6927 61.6796 63.4136 175.4440 3 L 4.0138 7.5887 123.2414 58.2400 41.5984 178.7306 4 E 4.1089 8.3774 118.0027 59.3179 29.3075 178.9614 5 E 4.0073 8.4371 118.8497 59.2243 29.5215 179.4056 6 W 3.9103 8.6676 118.4939 59.7184 29.1580 178.5642 7 I 3.7865 8.0819 119.8431 64.1104 36.5389 178.2199 8 K 3.9149 8.8453 121.9823 58.9198 32.0482 178.5224 9 A 3.9108 8.0141 120.8433 55.2187 18.1704 179.1427 10 D 4.2618 8.1675 116.7571 57.4497 40.8401 178.5997 11 S 4.0973 8.3029 115.0010 61.3851 62.9041 176.5234 12 L 3.9738 8.0691 122.6477 57.3722 41.3729 178.9981 13 E 3.8408 8.1279 119.1831 59.2009 29.5616 179.0493 14 K 3.4563 8.1264 118.3887 59.2741 32.0118 179.2231 15 A 3.9070 7.9895 121.2233 54.9627 18.2070 179.0085 16 D 4.2983 8.1620 116.6554 57.5680 41.2866 178.1965 17 E 3.9242 7.9537 119.5688 59.5432 29.5973 178.3606 18 Y 4.7713 8.0151 117.1044 61.6964 37.9296 178.3410 19 H 4.4373 8.6368 117.4051 58.8493 28.7314 177.9231 20 K 4.0541 8.4219 120.3469 59.6976 31.9236 179.6046 21 R 4.0110 8.3777 118.2202 59.3316 30.0137 178.5126 22 Y 4.1976 8.5256 119.3167 61.0046 38.8196 177.6820 23 N 4.3655 8.9052 117.8546 56.5822 38.4294 176.7576 24 Y 4.1710 8.2547 119.9725 60.5529 38.9693 177.6783 25 A 3.7921 7.5756 120.5530 55.1272 18.6433 179.5862 26 V 3.6982 7.2983 108.5011 62.3995 32.2265 176.5341 27 T 4.3815 7.2856 109.1314 61.4571 69.3348 175.3354 28 N 4.7860 7.6281 119.7108 51.6329 42.3180 171.4647 29 P 4.1662 0.0000 0.0000 65.7359 31.4060 178.7548 30 V 3.4853 7.7023 117.6849 65.9420 31.5167 178.0407 31 R 3.7279 8.2888 117.9470 59.1951 29.8461 179.1805 32 R 3.8316 8.0991 118.0869 59.1793 29.8309 179.0603 33 K 3.9336 7.8224 118.2771 59.3159 32.2482 178.4337 34 I 3.7945 7.6511 119.5161 64.4944 37.3652 177.8977 35 L 4.1724 7.9379 119.4933 57.8346 41.2827 180.5651 36 R 4.0303 7.8079 114.2307 57.0614 29.7281 178.4750 *38 L 4.2889 7.8640 121.3169 54.9518 43.5212 178.7910 39 D 4.4031 8.1834 116.6210 56.5142 41.2116 176.7139 40 K 4.2348 7.8042 116.6294 56.0018 32.3093 177.2282 41 G 3.9279 8.1259 107.0708 45.9402 0.0000 174.3898 42 R 4.0681 7.8184 117.8871 55.6571 30.8629 177.4870 43 S 4.4340 8.3905 116.2450 58.0900 65.0964 175.1602 44 E 3.9945 8.7412 122.6794 59.6556 29.2777 178.9718 45 E 4.0935 8.1059 117.8809 59.4932 30.0483 178.3416 46 E 4.1878 8.2288 118.5576 59.2328 29.4175 179.7011 47 I 3.9104 7.6700 116.0895 62.3466 36.5758 177.7838 *49 Q 4.2744 7.9857 120.9164 56.4368 30.4362 177.8727 50 T 3.7897 8.0570 113.0179 65.6899 68.5761 175.4719 51 L 4.3522 7.9571 118.6064 53.6211 42.6637 175.8757 52 S 3.6792 7.3471 112.1523 59.5204 60.9626 171.7559 53 L 4.8949 7.5653 118.4698 52.7285 44.1371 177.9744 54 S 4.4248 9.0127 118.8677 57.5208 65.0992 175.3104 55 K 3.8394 8.5733 122.5883 59.7121 31.7421 178.4615 56 K 3.9440 8.0070 119.0994 59.6898 32.2174 178.6068 57 Q 3.9899 8.2001 118.2870 58.8004 28.6307 178.5303 58 L 3.9796 8.3409 121.7399 58.3017 42.1053 178.5661 59 D 4.3727 8.4325 119.2329 57.5444 40.7748 178.2515 60 Y 4.0105 8.1889 119.8336 61.1634 38.7546 177.9400 61 H 3.9205 8.1844 116.9561 58.7346 28.6969 177.8075 62 L 3.4722 8.1346 121.1088 57.4948 41.2562 179.6553 63 K 3.7774 7.9078 118.5348 59.4005 31.9657 179.5834 64 V 3.4018 7.3675 118.3449 65.8621 31.3604 178.1019 65 L 3.8082 7.8234 119.0292 57.5497 41.3754 179.1695 66 E 4.0140 8.2636 119.4398 59.3114 29.4352 178.7955 67 A 3.9555 8.0756 119.8799 54.1884 18.3245 178.7059 68 G 3.6947 7.3005 102.4449 44.1765 0.0000 174.1314 69 F 4.0732 7.0718 116.5648 58.2831 37.0643 175.6969 70 C 4.8157 8.2949 121.0145 61.0228 29.3220 173.5883 71 I 5.3252 7.6543 110.0062 59.3728 40.6451 174.5354 72 E 5.0440 9.4488 121.9702 54.8972 34.3011 174.2713 73 R 4.2769 8.3932 122.6678 55.0643 31.5807 175.8259 74 V 4.1380 8.5140 126.4190 61.6297 33.8045 176.2344 75 G 3.7187 8.1358 119.5622 47.2055 0.0000 173.1651 76 E 4.3535 8.9978 123.3691 55.4239 29.8026 174.9431 77 R 4.6698 7.5657 116.8457 54.0406 32.1885 175.0130 78 W 4.9135 8.7759 122.3930 56.0312 30.2895 175.6287 79 V 4.4779 9.1900 125.2576 60.9075 33.6132 174.6941 80 V 4.3795 8.4599 128.2426 62.9863 32.3237 175.8512 81 T 4.3611 8.8730 118.7515 60.8435 70.3553 175.4574 82 D 4.3617 8.9207 121.1510 57.5653 40.9531 178.3961 83 A 4.1711 8.1656 120.5254 55.0851 18.5086 178.7419 84 G 3.7103 7.9275 103.4428 47.3923 0.0000 173.9415 85 K 4.2228 7.8223 119.5728 55.7905 31.4218 176.1541 86 I 4.3404 8.0274 117.6460 60.5654 39.6968 176.1783 87 V 3.6668 8.4065 116.5216 61.8570 31.4912 173.7217 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 G 8.34 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 0 H 8.87 4.08 0.00 3.45 3.54 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.64 3.61 0.00 4.15 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 0.00 3 L 7.59 4.01 0.00 1.73 1.84 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.38 4.11 0.00 2.07 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 2.45 2.39 0.00 5 E 8.44 4.01 0.00 2.41 1.78 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 2.39 2.60 0.00 6 W 8.67 3.91 0.00 3.56 3.16 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 0.00 7 I 8.08 3.79 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.95 0.00 0.00 8 K 8.85 3.91 0.00 1.85 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.32 7.81 9 A 8.01 3.91 1.23 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 0.00 0.00 10 D 8.17 4.26 0.00 2.92 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 11 S 8.30 4.10 0.00 4.09 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 0.00 12 L 8.07 3.97 0.00 1.83 1.72 0.92 0.65 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 13 E 8.13 3.84 0.00 2.08 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 0.00 2.24 2.30 0.00 14 K 8.13 3.46 0.00 1.85 1.39 0.00 1.49 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.21 7.81 15 A 7.99 3.91 1.32 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 0.00 0.00 0.00 16 D 8.16 4.30 0.00 2.86 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 17 E 7.95 3.92 0.00 2.03 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 0.00 2.32 2.50 0.00 18 Y 8.02 4.77 0.00 3.02 2.82 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 19 H 8.64 4.44 0.00 3.45 3.42 0.00 5.65 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 20 K 8.42 4.05 0.00 2.03 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.67 7.81 21 R 8.38 4.01 0.00 2.18 2.05 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 22 Y 8.53 4.20 0.00 3.37 3.30 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 23 N 8.91 4.37 0.00 2.93 2.96 0.00 0.00 6.75 7.21 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 24 Y 8.25 4.17 0.00 2.98 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 25 A 7.58 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.30 3.70 1.86 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 0.17 0.00 0.00 0.67 0.00 0.00 27 T 7.29 4.38 4.22 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 1.25 0.00 0.00 28 N 7.63 4.79 0.00 2.50 2.44 0.00 0.00 6.81 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 29 P 0.00 4.17 0.00 2.26 2.25 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 30 V 7.70 3.49 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 0.99 0.00 0.00 0.88 0.00 0.00 31 R 8.29 3.73 0.00 1.88 1.77 0.00 2.95 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 32 R 8.10 3.83 0.00 1.92 1.93 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 33 K 7.82 3.93 0.00 1.72 1.89 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 34 I 7.65 3.79 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.80 0.00 0.00 35 L 7.94 4.17 0.00 1.82 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.81 4.03 0.00 1.97 1.93 0.00 3.14 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 *38 L 7.86 4.29 0.00 1.88 1.81 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.18 4.40 0.00 2.79 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 40 K 7.80 4.23 0.00 1.74 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 41 G 8.13 3.93 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 0.00 42 R 7.82 4.07 0.00 1.82 1.89 0.00 3.38 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 43 S 8.39 4.43 0.00 4.07 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 44 E 8.74 3.99 0.00 2.01 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 2.41 2.49 0.00 45 E 8.11 4.09 0.00 1.97 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 0.00 2.30 2.42 0.00 46 E 8.23 4.19 0.00 2.18 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 0.00 2.34 2.50 0.00 47 I 7.67 3.91 2.02 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 1.52 0.82 0.89 0.00 0.00 *49 Q 7.99 4.27 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 50 T 8.06 3.79 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 1.20 0.00 0.00 51 L 7.96 4.35 0.00 1.70 1.67 0.87 0.73 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 52 S 7.35 3.68 0.00 4.01 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 53 L 7.57 4.89 0.00 1.66 1.57 0.93 1.02 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 54 S 9.01 4.42 0.00 4.04 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 55 K 8.57 3.84 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.55 7.81 56 K 8.01 3.94 0.00 1.87 1.79 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 57 Q 8.20 3.99 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 58 L 8.34 3.98 0.00 1.74 1.81 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.43 4.37 0.00 2.98 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 60 Y 8.19 4.01 0.00 3.04 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 61 H 8.18 3.92 0.00 3.29 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.13 3.47 0.00 1.41 0.66 0.67 0.31 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 63 K 7.91 3.78 0.00 1.84 1.74 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.56 7.81 64 V 7.37 3.40 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 0.85 0.00 0.00 0.37 0.00 0.00 65 L 7.82 3.81 0.00 1.56 1.51 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.26 4.01 0.00 1.93 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 2.36 2.54 0.00 67 A 8.08 3.96 1.23 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 0.00 0.00 68 G 7.30 3.69 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 0.00 0.00 0.00 69 F 7.07 4.07 0.00 3.42 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 70 C 8.29 4.82 0.00 2.97 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 71 I 7.65 5.33 2.11 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.90 0.00 0.00 72 E 9.45 5.04 0.00 1.95 1.86 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 2.33 2.35 0.00 73 R 8.39 4.28 0.00 0.67 1.33 0.00 2.21 0.00 0.00 2.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 74 V 8.51 4.14 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 0.89 0.00 0.00 0.90 0.00 0.00 75 G 8.14 3.72 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 0.00 0.00 0.00 76 E 9.00 4.35 0.00 1.91 1.93 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 2.18 2.21 0.00 77 R 7.57 4.67 0.00 1.89 1.99 0.00 2.75 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 78 W 8.78 4.91 0.00 3.21 3.16 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 0.00 79 V 9.19 4.48 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 1.06 0.00 0.00 0.95 0.00 0.00 80 V 8.46 4.38 2.28 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 0.94 0.00 0.00 1.02 0.00 0.00 81 T 8.87 4.36 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 1.30 0.00 0.00 82 D 8.92 4.36 0.00 2.70 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 83 A 8.17 4.17 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 84 G 7.93 3.71 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 0.00 0.00 0.00 85 K 7.82 4.22 0.00 1.95 1.83 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.57 7.81 86 I 8.03 4.34 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.99 0.00 0.00 87 V 8.41 3.67 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.