NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 E 4.3964 8.4444 116.7573 55.5164 30.8184 176.2808 14 D 4.5692 9.2598 116.4781 54.4279 45.1986 171.4338 15 C 4.9161 8.4940 115.9004 57.1910 32.2774 171.1561 16 P 4.3434 0.0000 0.0000 62.8096 31.3856 176.8438 17 Q 4.2734 8.4543 120.8967 56.0519 29.4389 176.6596 18 D 4.7529 8.8628 122.5034 51.8979 42.7940 177.4285 19 R 3.8840 8.4190 118.0212 59.9552 29.7935 178.0762 20 E 4.0926 8.2288 117.6067 59.4301 29.5515 179.0923 21 E 4.0093 9.5136 119.4655 59.3514 29.4983 179.0848 22 L 4.1089 8.1853 120.5425 58.0256 42.0375 179.1405 23 G 3.7549 8.3052 105.5518 48.1555 0.0000 175.6268 24 R 4.2730 8.3971 121.5332 59.2041 30.1996 179.0520 25 N 4.5563 8.4296 116.0289 56.5684 38.5331 177.7731 26 T 4.1032 8.4445 117.6943 66.3752 68.6055 176.9852 27 W 4.2320 8.4759 121.1292 59.5064 29.0124 178.3616 28 A 3.3146 8.2321 120.7763 54.9268 17.8488 179.3636 29 F 4.1255 8.2274 118.9825 61.4923 39.4434 177.2458 30 L 3.3178 8.1177 118.6834 58.0638 41.3149 179.4196 31 H 3.7667 7.9253 116.2305 58.7521 28.4143 178.1209 32 T 3.9911 7.3948 117.7936 66.1989 68.0695 176.4949 33 L 3.8396 7.6548 121.6367 58.2490 42.4503 178.7268 34 A 4.3299 8.0515 120.4533 55.1359 18.0353 179.3793 35 A 3.9691 8.1058 118.6820 54.7078 18.4538 178.4369 36 Y 4.3964 7.5546 111.6739 56.9826 39.1723 175.5795 37 Y 4.3788 7.4304 122.2181 56.6461 39.5554 173.6831 38 P 4.4531 0.0000 0.0000 62.6763 32.0314 177.5222 39 D 4.4672 8.5845 121.6607 56.7458 41.5780 176.6831 40 M 4.6846 7.4036 116.9680 53.2891 31.9157 173.2764 41 P 4.3747 0.0000 0.0000 62.5345 32.8633 177.7407 42 T 4.1868 8.5041 111.1973 60.7800 70.9954 173.9547 43 P 4.1889 0.0000 0.0000 65.8633 31.2011 178.6197 44 E 3.9604 8.0728 117.6001 59.3445 29.6461 178.7364 45 Q 4.0153 8.0212 118.2045 58.9851 28.4792 178.7187 46 Q 4.5317 8.2629 120.7097 58.4816 28.6949 178.8313 47 Q 4.0214 8.1674 119.1115 59.0195 28.8192 178.3476 48 D 4.3754 8.3698 120.2717 57.6879 40.8658 178.6418 49 M 3.9658 8.1756 118.4299 58.3222 32.1031 178.1256 50 A 3.7688 7.6116 120.8625 55.1762 18.4809 179.4482 51 Q 3.9575 8.2502 118.1695 59.0408 29.0467 178.0544 52 F 4.1721 8.7322 122.1828 61.5281 39.4760 177.1843 53 I 3.8198 8.0810 119.4063 64.5502 36.6395 177.9367 54 H 4.1580 8.0001 118.1365 59.4944 30.0848 177.1595 55 I 3.7578 8.0919 121.9033 64.0693 36.8917 178.0471 56 F 4.0482 8.4515 122.3322 61.4031 38.9859 177.3930 57 S 3.9843 8.0130 111.9596 60.6566 62.7451 175.7132 58 K 4.0005 7.4831 120.6152 56.8332 32.2393 177.0126 59 F 4.8185 7.3445 114.5676 56.5163 40.6080 174.4823 60 Y 3.8462 7.6650 123.3245 57.6544 38.4441 174.5585 61 P 3.8142 0.0000 0.0000 66.0447 31.8771 177.1643 62 C 4.0380 7.0165 121.7376 56.6568 41.3435 173.4252 63 E 3.8193 8.7522 129.1281 59.6785 29.3275 178.1856 64 E 4.2054 8.0352 119.7163 58.9250 29.6529 179.3100 65 C 4.3508 8.2113 115.7820 59.9607 41.3819 175.7496 66 A 3.9345 8.2425 122.3581 55.2679 17.5362 179.3924 67 E 3.8671 8.1181 117.1031 59.5656 29.6352 179.2542 68 D 4.3243 8.0150 117.5527 57.5010 41.4380 178.1214 69 I 3.7580 8.1353 119.5308 64.0848 37.8311 177.9539 70 R 3.9702 8.2171 119.1321 59.2717 29.7673 179.1684 71 K 4.0063 7.7686 117.0179 59.4987 32.0353 179.7398 72 R 3.9985 7.9784 117.9441 59.3648 30.1531 179.2046 73 I 4.1150 8.5219 120.0208 64.5565 36.8910 178.2813 74 D 4.6842 8.3433 119.2936 57.1173 40.6485 178.4896 75 R 4.3464 7.7342 118.9742 57.8498 30.8408 176.2185 76 S 4.6313 8.0369 113.3494 55.6409 62.9005 172.6816 77 Q 4.3315 8.7753 124.2027 53.9916 29.2392 175.1522 78 P 2.0000 0.0000 0.0000 62.1022 31.2393 175.7003 79 D 4.4702 7.9181 121.9377 53.4015 40.3877 175.5578 80 T 4.3283 7.9855 116.0092 61.1915 69.1605 176.1346 81 S 4.4322 8.6468 119.1872 61.2426 63.0647 174.6129 82 T 4.7476 8.1616 109.7680 58.7637 73.0384 174.6096 83 R 4.2734 8.2560 119.6407 59.7424 29.9976 178.7137 84 V 3.7305 8.0802 119.0043 65.5371 31.6687 177.9417 85 S 4.2283 8.3615 114.1760 61.4668 62.6975 176.3130 86 F 4.6497 8.9617 126.0502 60.5804 38.9415 177.4052 87 S 3.8670 8.6004 114.4091 61.4554 62.6256 176.5531 88 Q 4.0604 8.3676 121.7349 58.3452 28.5006 178.2380 89 W 4.0492 8.4036 129.4961 60.4672 30.6860 177.7878 90 L 3.3429 8.2005 120.4591 57.9755 41.4349 178.0570 91 C 4.1067 8.0718 118.4706 59.7203 43.3483 175.8037 92 R 3.7227 7.8246 118.8882 58.8933 29.9707 178.5350 93 L 3.7924 7.3387 120.0748 58.3413 41.9734 178.4289 94 H 3.4937 7.9561 118.2470 59.2455 29.4984 176.9152 95 N 4.3908 8.1270 118.1400 56.1259 38.2908 177.2760 96 E 3.9166 7.8782 120.0220 59.4400 29.5815 179.5533 97 V 3.6950 7.7215 117.7878 65.7903 31.6864 177.5556 98 N 4.2976 8.3652 116.7423 56.6256 38.3279 177.6148 99 R 4.0875 8.2524 119.4644 59.0452 29.8532 179.0961 100 K 4.0483 7.8653 118.8269 58.6623 32.2092 177.8766 101 L 4.6294 7.5930 116.8603 53.6641 41.7984 176.7540 102 G 3.9146 7.4921 106.2595 46.3910 0.0000 174.3776 103 K 4.4728 8.2575 118.4887 53.8809 33.5563 175.1855 104 P 4.4510 0.0000 0.0000 62.5012 31.9166 176.1724 105 D 4.6501 8.3484 120.8327 53.9803 41.5652 176.0661 106 F 4.3659 9.2982 126.6010 57.0195 40.3678 175.2960 107 D 4.3671 7.4438 126.6177 53.7766 39.9197 177.1926 108 C 4.5175 8.7286 125.5361 59.4639 40.4421 176.2664 109 S 4.0718 8.3182 113.2261 60.0268 62.9655 175.0370 110 R 4.6056 8.0703 120.4525 56.1209 30.4368 178.1546 111 V 3.9454 7.8637 115.4852 64.8643 31.3477 178.2482 112 D 4.3258 8.0381 118.1839 57.1613 40.7346 178.4663 113 E 3.7606 7.8469 118.7465 59.2005 29.2663 179.2186 114 R 2.8429 7.1679 117.4351 58.0503 30.2386 177.6387 115 W 4.8368 7.9602 115.1467 56.3130 30.2236 175.7050 116 R 4.4776 7.6588 116.3301 57.7412 31.3209 175.5713 117 D 4.5059 8.6762 115.3790 53.9865 41.7878 178.2133 118 G 3.8647 7.6393 103.5779 44.7470 0.0000 173.3595 119 W 4.4914 8.0015 119.6128 56.4739 29.5927 177.8995 120 K 3.9900 9.2324 122.4855 59.3188 31.5858 177.9220 121 D 4.4410 8.2213 116.2606 53.7578 39.5679 177.0418 122 G 3.9639 8.6760 109.4594 46.1404 0.0000 175.5067 123 S 4.3618 8.9891 114.5221 59.8628 63.1774 174.2241 124 C 4.3916 7.6637 122.8130 59.9939 28.0462 173.3398 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 *13 E 8.44 4.40 0.00 2.01 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 2.13 1.88 0.00 14 D 9.26 4.57 0.00 2.64 2.63 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 15 C 8.49 4.92 0.00 2.97 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 16 P 0.00 4.34 0.00 2.02 1.98 0.00 3.67 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 2.02 2.11 0.00 17 Q 8.45 4.27 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 18 D 8.86 4.75 0.00 2.95 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 19 R 8.42 3.88 0.00 1.91 2.01 0.00 3.23 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 20 E 8.23 4.09 0.00 2.29 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 2.46 2.54 0.00 21 E 9.51 4.01 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 2.38 2.74 0.00 22 L 8.19 4.11 0.00 1.74 1.89 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.31 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 0.00 0.00 0.00 24 R 8.40 4.27 0.00 2.17 2.17 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 25 N 8.43 4.56 0.00 3.05 2.95 0.00 0.00 7.09 6.72 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 26 T 8.44 4.10 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 1.29 0.00 0.00 27 W 8.48 4.23 0.00 3.49 3.04 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 28 A 8.23 3.31 1.67 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 0.00 0.00 29 F 8.23 4.13 0.00 3.16 3.26 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 30 L 8.12 3.32 0.00 1.50 1.34 0.14 0.60 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 31 H 7.93 3.77 0.00 1.40 1.69 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.39 3.99 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 1.38 0.00 0.00 33 L 7.65 3.84 0.00 0.95 1.54 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.05 4.33 1.01 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 0.00 0.00 35 A 8.11 3.97 1.37 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 0.00 0.00 0.00 36 Y 7.55 4.40 0.00 3.01 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 37 Y 7.43 4.38 0.00 3.28 3.12 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 38 P 0.00 4.45 0.00 1.85 1.76 0.00 2.35 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 39 D 8.58 4.47 0.00 2.63 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 40 M 7.40 4.68 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 41 P 0.00 4.37 0.00 2.01 1.23 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 42 T 8.50 4.19 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 43 P 0.00 4.19 0.00 2.16 2.14 0.00 3.57 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 2.10 2.13 0.00 44 E 8.07 3.96 0.00 2.02 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 2.37 2.39 0.00 45 Q 8.02 4.02 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 46 Q 8.26 4.53 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 47 Q 8.17 4.02 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 48 D 8.37 4.38 0.00 2.86 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 49 M 8.18 3.97 0.00 1.55 1.65 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 0.00 50 A 7.61 3.77 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 51 Q 8.25 3.96 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 52 F 8.73 4.17 0.00 3.23 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 53 I 8.08 3.82 2.03 0.00 0.00 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 1.74 0.86 1.09 0.00 0.00 54 H 8.00 4.16 0.00 3.16 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.09 3.76 1.87 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 1.49 0.93 1.14 0.00 0.00 56 F 8.45 4.05 0.00 2.75 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 57 S 8.01 3.98 0.00 4.06 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 0.00 58 K 7.48 4.00 0.00 1.31 1.18 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.30 7.81 59 F 7.34 4.82 0.00 2.90 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 60 Y 7.66 3.85 0.00 2.11 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 61 P 0.00 3.81 0.00 1.57 1.85 0.00 2.79 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 62 C 7.02 4.04 0.00 2.84 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 63 E 8.75 3.82 0.00 2.02 1.91 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 2.36 2.35 0.00 64 E 8.04 4.21 0.00 2.08 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 2.40 2.28 0.00 65 C 8.21 4.35 0.00 3.42 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 66 A 8.24 3.93 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 67 E 8.12 3.87 0.00 2.20 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 2.31 2.52 0.00 68 D 8.01 4.32 0.00 2.78 2.89 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 0.00 0.00 0.00 69 I 8.14 3.76 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.95 0.00 0.00 70 R 8.22 3.97 0.00 2.04 1.96 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 71 K 7.77 4.01 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.71 7.81 72 R 7.98 4.00 0.00 2.08 2.00 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 73 I 8.52 4.12 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.54 1.12 0.00 0.00 74 D 8.34 4.68 0.00 2.71 2.77 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 75 R 7.73 4.35 0.00 1.91 2.21 0.00 3.24 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 76 S 8.04 4.63 0.00 3.96 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 77 Q 8.78 4.33 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 78 P 0.00 2.00 0.00 1.36 0.49 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 79 D 7.92 4.47 0.00 2.71 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 80 T 7.99 4.33 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 0.64 0.00 0.00 81 S 8.65 4.43 0.00 4.03 4.10 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 0.00 0.00 0.00 0.00 82 T 8.16 4.75 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 1.27 0.00 0.00 83 R 8.26 4.27 0.00 2.21 2.17 0.00 3.29 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 1.71 2.01 0.00 84 V 8.08 3.73 2.14 0.00 0.00 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 0.96 0.00 0.00 85 S 8.36 4.23 0.00 4.20 4.20 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 86 F 8.96 4.65 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 3.87 0.00 4.03 4.11 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 88 Q 8.37 4.06 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 89 W 8.40 4.05 0.00 3.56 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 90 L 8.20 3.34 0.00 1.51 1.51 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.07 4.11 0.00 3.09 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 92 R 7.82 3.72 0.00 1.73 1.84 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 93 L 7.34 3.79 0.00 0.74 1.23 0.84 0.58 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 94 H 7.96 3.49 0.00 2.51 2.88 0.00 5.66 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 95 N 8.13 4.39 0.00 2.92 2.80 0.00 0.00 7.03 7.23 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 96 E 7.88 3.92 0.00 2.23 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 2.44 0.00 97 V 7.72 3.70 2.37 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 1.28 0.00 0.00 1.19 0.00 0.00 98 N 8.37 4.30 0.00 2.86 2.93 0.00 0.00 6.99 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 99 R 8.25 4.09 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 100 K 7.87 4.05 0.00 1.92 2.04 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.50 7.81 101 L 7.59 4.63 0.00 1.73 1.71 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.49 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 0.00 103 K 8.26 4.47 0.00 1.82 1.75 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 104 P 0.00 4.45 0.00 2.04 1.97 0.00 3.68 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 2.03 2.10 0.00 105 D 8.35 4.65 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 4.37 0.00 2.81 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 0.00 107 D 7.44 4.37 0.00 2.47 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 0.00 108 C 8.73 4.52 0.00 3.06 3.37 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 0.00 109 S 8.32 4.07 0.00 3.99 3.98 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 0.00 0.00 0.00 110 R 8.07 4.61 0.00 1.87 2.02 0.00 3.13 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 111 V 7.86 3.95 2.20 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 1.04 0.00 0.00 1.01 0.00 0.00 112 D 8.04 4.33 0.00 2.65 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 0.00 113 E 7.85 3.76 0.00 1.65 1.31 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 2.32 2.28 0.00 114 R 7.17 2.84 0.00 1.47 1.75 0.00 2.81 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 115 W 7.96 4.84 0.00 3.28 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 0.00 116 R 7.66 4.48 0.00 1.56 1.86 0.00 2.77 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.00 117 D 8.68 4.51 0.00 2.57 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 0.00 118 G 7.64 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 0.00 119 W 8.00 4.49 0.00 3.56 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 3.99 0.00 1.81 1.92 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.63 7.81 121 D 8.22 4.44 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 0.00 122 G 8.68 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 0.00 123 S 8.99 4.36 0.00 3.97 4.11 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 0.00 124 C 7.66 4.39 0.00 3.05 2.89 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.