NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5469 8.3493 120.1934 54.6815 41.9728 174.2761 8 T 4.3611 7.2985 108.8140 59.0611 70.6069 174.1014 9 F 4.3275 8.9472 124.2615 61.6144 40.8325 178.4759 10 V 3.0662 7.8864 119.7971 65.7212 31.3059 178.0416 11 S 3.8708 7.3591 112.0042 60.6619 62.6295 175.1972 12 G 3.9773 7.4785 106.6344 45.2100 0.0000 173.0628 13 Y 4.4481 7.8315 122.2931 56.4892 40.1938 175.5285 14 L 3.8184 8.5770 128.7719 58.5306 42.1961 179.2492 15 L 3.7672 6.3021 118.0723 57.4751 41.4598 178.7310 16 Y 3.9647 7.2231 119.0134 60.7276 38.9135 177.8287 17 L 3.7613 8.0491 120.0538 57.6021 41.6887 179.6021 18 L 3.8219 8.1449 119.0013 57.7692 41.6327 179.5078 19 A 3.8927 7.9248 120.4493 54.9013 18.3107 179.5118 20 A 3.7298 7.8487 119.6686 55.2685 18.4008 179.7967 21 S 3.9616 7.6769 113.6307 61.9844 62.9606 177.0968 22 S 4.0732 8.0440 115.4852 61.1628 62.2267 175.6306 23 E 3.8858 8.1528 121.9385 59.6206 29.2437 178.8280 24 E 3.9971 8.5210 117.2099 59.1667 29.5405 178.9691 25 A 4.1300 8.2593 120.7677 55.2007 18.7499 179.5792 26 S 4.1831 8.2518 113.1983 60.7673 62.7699 176.3908 27 A 3.9708 7.7467 123.9287 55.4499 17.9135 179.4810 28 Q 4.1446 7.9504 118.4557 58.8800 29.2796 177.9748 29 F 4.0621 8.1797 121.2277 61.5443 39.4021 176.6035 30 H 4.1071 8.6999 116.3759 58.8112 28.0992 177.1494 31 D 4.3262 8.3627 121.1060 57.8463 40.7222 178.7528 32 H 4.0627 7.6365 118.1979 59.1665 29.8564 177.1991 33 I 3.2634 7.0276 121.5616 64.2548 36.8470 178.1646 34 R 3.8841 7.9606 119.2075 59.6086 29.6686 178.3154 35 A 3.9552 7.6286 118.8676 55.1477 18.4098 178.8560 36 Q 4.1592 7.5369 113.3399 55.9183 28.6892 176.8660 37 G 3.8867 7.8467 108.0132 46.0167 0.0000 173.5644 38 L 4.7415 7.5721 118.3548 52.7496 44.1628 177.0401 39 R 4.4880 8.2215 120.1661 54.8158 32.8812 178.0851 40 V 3.7181 8.2709 120.8475 66.1284 31.5259 176.7701 41 P 4.2995 0.0000 0.0000 65.4992 31.1712 178.4237 42 E 3.9866 8.0940 117.0685 59.2124 29.3903 178.9930 43 W 4.3895 8.3763 128.3689 60.5695 30.7699 178.2605 44 R 3.0312 7.8240 118.0955 58.7802 29.5454 179.0479 45 V 3.4723 7.7241 118.0080 66.0018 31.3756 178.0303 46 L 3.9287 7.8863 118.2992 57.7648 41.2666 179.2877 47 A 3.6743 7.8172 120.3341 55.4042 18.2105 179.3101 48 C 4.1338 8.1555 114.2274 62.0938 28.2514 175.3356 49 L 4.4195 7.3380 118.2772 54.8575 41.7723 178.6517 50 V 3.7713 7.2307 119.5975 64.9760 31.3464 177.8643 51 D 4.4427 7.8260 117.9154 55.9158 41.4079 176.9952 52 N 4.5950 7.3653 114.7220 53.2236 39.3078 174.9893 53 D 4.4735 8.5930 120.4126 56.8973 41.4907 176.5589 54 A 5.1759 7.2781 117.4581 52.3155 21.9844 175.7182 *57 I 4.2245 8.1473 119.9311 61.5393 39.4787 178.6834 58 T 4.1549 7.7448 112.0927 64.2683 68.4750 176.4898 59 R 3.8683 7.8745 121.1124 58.8485 30.1739 177.8492 60 L 3.8776 7.9371 119.5540 58.0471 41.9266 178.5952 61 A 3.9502 8.3637 120.9095 55.2732 18.1555 179.7005 62 K 3.8917 7.6784 115.3013 59.7552 32.2102 179.3708 63 L 4.1171 8.1460 118.4816 57.3609 41.6182 178.7964 64 S 4.5397 7.9856 112.4850 56.9308 63.8746 172.9210 65 L 3.3804 7.1689 124.2877 54.7018 38.5516 173.4318 *67 E 4.1253 7.9085 120.8816 55.6059 30.7214 176.8472 68 Q 3.9459 8.7561 123.1485 59.4614 29.4679 179.2808 69 S 4.2005 8.0597 111.9762 61.2428 63.5718 176.6595 70 R 3.9340 7.5089 119.6023 56.5824 29.2260 177.8573 *72 T 4.2816 7.9955 112.9478 61.5801 69.4683 175.8588 73 R 3.9483 8.1029 120.5160 59.2479 29.7717 179.0412 74 I 3.8383 7.5847 118.2506 64.4494 37.2330 178.3179 75 V 3.7230 7.6832 117.1119 66.1637 31.6048 177.0670 76 D 4.5811 8.6571 118.9121 57.4811 40.4569 179.1045 77 Q 4.3150 7.7399 115.7411 56.3801 28.4343 177.7565 *79 D 5.1578 8.3071 119.7255 54.4998 42.7907 177.4597 80 A 3.9494 8.0953 120.3394 54.7002 18.3905 178.2364 81 R 4.1027 7.6678 114.5336 56.8024 30.4612 177.2091 82 G 3.9655 8.3690 105.6272 45.8944 0.0000 174.1844 83 L 4.3621 7.7897 120.8068 56.2693 43.3253 176.7974 84 V 4.9822 7.5334 117.4163 61.5395 35.3521 173.6697 85 T 4.9740 9.3666 120.5959 60.2405 71.4156 172.6950 86 R 4.6755 8.4665 124.5171 55.7044 31.1999 176.3629 87 V 3.9514 8.3988 124.1274 62.0371 32.0672 175.9762 88 A 4.1753 8.5860 130.8092 52.7962 18.9519 175.9286 89 D 4.5760 8.1594 118.4245 53.9524 44.6906 174.7269 90 A 4.4701 8.3788 120.7491 53.0199 20.2406 177.2414 *95 R 4.1777 7.6313 111.9202 55.4917 30.7419 176.4384 96 V 3.8332 7.7268 116.5906 62.9137 32.6235 175.2087 97 R 4.8380 8.2321 119.2229 54.6106 34.7359 174.4003 98 V 5.0368 8.0938 119.3349 61.4845 35.4287 173.9969 99 R 5.0554 9.1806 122.2857 54.1562 33.4160 174.2596 100 L 4.6633 8.4600 119.8736 55.1887 42.6128 177.4114 101 T 4.2985 8.5119 113.1958 60.9802 70.9276 175.3649 102 D 4.3468 8.7985 120.2714 57.7468 40.7441 178.6597 103 D 4.4546 8.1722 118.9103 57.3229 40.7959 178.7920 104 G 3.7265 8.2062 106.1929 48.0869 0.0000 175.6931 105 R 3.9114 8.3391 121.3835 58.7838 30.0437 178.4597 106 A 4.0129 8.2577 120.9735 54.9178 18.3034 179.4428 107 L 3.8649 8.0754 118.6008 58.3209 42.2819 178.7571 108 A 4.1406 8.2766 120.9951 55.5178 18.2652 179.5145 109 E 4.0153 8.2937 117.0870 59.6240 29.5753 179.7786 110 S 4.2589 8.2244 114.3587 61.1848 63.1657 176.5747 111 L 4.0550 8.4004 123.0231 57.7453 41.3852 179.5379 112 V 3.9426 8.6520 118.4201 65.8804 31.4407 177.5163 113 A 4.0084 8.1643 120.5497 55.5829 18.1256 179.5659 114 S 4.0906 8.1201 112.7550 61.8016 62.9619 176.7811 115 A 2.6937 8.2638 123.4955 55.0050 17.9274 179.8954 116 R 3.7874 8.2837 116.4571 59.3400 30.0687 179.2219 117 A 3.9705 8.0327 120.5014 55.5243 18.4741 179.3822 118 H 4.0208 8.5192 114.9832 58.9432 28.6479 177.6932 119 E 3.9102 8.3266 121.2482 59.5658 29.4341 179.0723 120 T 3.8666 8.0695 116.0409 66.2614 68.5623 176.4955 121 R 3.8430 8.1480 121.0140 59.5659 30.0733 178.3151 122 L 3.9303 7.7806 119.5293 58.2069 41.9131 178.8293 123 L 3.9882 8.0131 118.1223 57.6651 41.7496 179.0961 124 S 4.1807 8.2571 112.9640 61.6052 62.1519 176.0989 125 A 3.9859 7.6727 121.7003 55.1382 18.2291 179.0176 126 L 4.1701 7.9004 116.6177 56.7351 41.6701 178.7639 127 A 3.9725 7.7738 120.5930 55.7662 18.2641 179.1883 128 D 4.4552 8.0514 115.6255 56.8234 41.4486 176.7664 129 T 4.3922 7.9500 110.1967 60.0912 70.7732 174.8631 130 D 4.2916 8.7882 120.1931 57.8461 40.7755 177.9558 131 A 4.2379 8.2489 119.0128 52.4078 18.5028 178.6090 132 A 3.9747 7.6575 120.5240 55.2941 18.6235 179.7699 133 R 4.6139 7.6938 113.4541 55.9518 31.5458 178.1969 134 I 3.6349 7.8894 121.9585 64.6220 37.7784 177.1190 135 K 4.0664 8.0269 118.5777 59.4395 31.9805 179.5004 136 G 3.5511 7.9920 105.5910 47.4903 0.0000 175.6216 137 V 3.5799 7.8217 120.6000 66.0256 31.4707 178.2539 138 L 3.9439 8.0703 118.5903 57.5302 41.4755 179.0967 139 R 3.8706 8.0997 118.9082 60.0122 29.8970 178.4644 140 T 3.8492 8.4820 115.4044 66.5038 68.3688 176.1595 141 L 3.9169 7.9825 122.1501 58.2937 41.9259 178.9558 142 L 3.9562 7.9732 117.6679 57.8722 41.6357 178.8018 143 D 4.5329 7.8773 117.6003 57.6518 41.2121 178.9713 144 V 3.7613 7.9324 118.4407 65.8587 31.3460 177.3728 145 L 4.2919 7.8895 115.6338 55.7158 41.4249 177.1220 146 D 4.5971 7.7486 123.5855 54.4181 41.3485 175.4763 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 D 8.35 4.55 0.00 2.64 2.62 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 0.00 0.00 0.00 0.00 8 T 7.30 4.36 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 1.20 0.00 0.00 9 F 8.95 4.33 0.00 3.04 3.07 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 10 V 7.89 3.07 1.79 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 0.27 0.00 0.00 0.87 0.00 0.00 11 S 7.36 3.87 0.00 4.00 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 12 G 7.48 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 0.00 0.00 0.00 13 Y 7.83 4.45 0.00 2.25 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 14 L 8.58 3.82 0.00 1.75 1.52 0.87 0.63 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 15 L 6.30 3.77 0.00 0.55 1.42 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.22 3.96 0.00 3.08 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 17 L 8.05 3.76 0.00 1.80 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.14 3.82 0.00 1.67 1.62 0.85 0.55 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 19 A 7.92 3.89 1.29 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 0.00 0.00 20 A 7.85 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.68 3.96 0.00 4.03 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 22 S 8.04 4.07 0.00 3.86 3.95 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 23 E 8.15 3.89 0.00 2.15 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 0.00 2.29 2.40 0.00 24 E 8.52 4.00 0.00 1.96 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 2.33 2.39 0.00 25 A 8.26 4.13 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 26 S 8.25 4.18 0.00 3.99 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.97 1.39 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 0.00 0.00 0.00 0.00 0.00 28 Q 7.95 4.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 29 F 8.18 4.06 0.00 3.08 2.99 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 30 H 8.70 4.11 0.00 3.29 3.29 0.00 5.71 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 31 D 8.36 4.33 0.00 2.86 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 32 H 7.64 4.06 0.00 2.99 2.88 0.00 5.80 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 33 I 7.03 3.26 1.59 0.00 0.00 -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 1.00 -0.12 0.86 0.00 0.00 34 R 7.96 3.88 0.00 1.97 2.00 0.00 3.07 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 1.62 0.00 35 A 7.63 3.96 1.29 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 0.00 0.00 36 Q 7.54 4.16 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 37 G 7.85 3.89 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 0.00 0.00 0.00 38 L 7.57 4.74 0.00 1.76 1.59 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.22 4.49 0.00 1.99 1.84 0.00 3.14 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 40 V 8.27 3.72 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 1.11 0.00 0.00 0.67 0.00 0.00 41 P 0.00 4.30 0.00 2.20 2.08 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 42 E 8.09 3.99 0.00 2.21 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 2.42 2.38 0.00 43 W 8.38 4.39 0.00 3.46 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 44 R 7.82 3.03 0.00 1.94 1.77 0.00 3.19 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.74 0.00 45 V 7.72 3.47 2.19 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 1.00 0.00 0.00 0.89 0.00 0.00 46 L 7.89 3.93 0.00 1.99 1.77 1.06 0.59 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 47 A 7.82 3.67 0.27 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 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.16 4.13 0.00 2.94 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 49 L 7.34 4.42 0.00 1.61 1.68 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.23 3.77 2.22 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 0.81 0.00 0.00 0.96 0.00 0.00 51 D 7.83 4.44 0.00 2.65 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 52 N 7.37 4.59 0.00 2.67 2.73 0.00 0.00 6.92 8.06 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 53 D 8.59 4.47 0.00 2.66 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 54 A 7.28 5.18 1.18 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 0.00 0.00 *57 I 8.15 4.22 1.86 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 1.46 0.56 0.90 0.00 0.00 58 T 7.74 4.15 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 1.28 0.00 0.00 59 R 7.87 3.87 0.00 1.93 1.94 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 60 L 7.94 3.88 0.00 1.85 1.73 0.86 0.95 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 61 A 8.36 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 3.89 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 63 L 8.15 4.12 0.00 1.53 1.67 0.87 0.74 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 64 S 7.99 4.54 0.00 3.86 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 65 L 7.17 3.38 0.00 1.76 1.71 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 *67 E 7.91 4.13 0.00 2.05 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 2.30 2.31 0.00 68 Q 8.76 3.95 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 69 S 8.06 4.20 0.00 4.04 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 70 R 7.51 3.93 0.00 2.01 1.92 0.00 3.17 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *72 T 8.00 4.28 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 1.27 0.00 0.00 73 R 8.10 3.95 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 74 I 7.58 3.84 1.87 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 1.41 0.47 0.91 0.00 0.00 75 V 7.68 3.72 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 0.86 0.00 0.00 0.92 0.00 0.00 76 D 8.66 4.58 0.00 2.85 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 77 Q 7.74 4.32 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 *79 D 8.31 5.16 0.00 2.82 2.90 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 80 A 8.10 3.95 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 81 R 7.67 4.10 0.00 1.87 1.96 0.00 3.27 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 1.61 1.57 0.00 82 G 8.37 3.97 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 0.00 0.00 0.00 83 L 7.79 4.36 0.00 1.63 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.53 4.98 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 0.94 0.00 0.00 0.93 0.00 0.00 85 T 9.37 4.97 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 86 R 8.47 4.68 0.00 1.73 1.84 0.00 3.41 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 87 V 8.40 3.95 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 0.71 0.00 0.00 0.92 0.00 0.00 88 A 8.59 4.18 1.24 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 0.00 0.00 89 D 8.16 4.58 0.00 2.62 2.57 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 0.00 0.00 0.00 90 A 8.38 4.47 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 *95 R 7.63 4.18 0.00 1.95 2.07 0.00 3.04 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 96 V 7.73 3.83 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 0.74 0.00 0.00 0.93 0.00 0.00 97 R 8.23 4.84 0.00 1.73 1.80 0.00 3.22 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 98 V 8.09 5.04 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 1.01 0.00 0.00 0.96 0.00 0.00 99 R 9.18 5.06 0.00 1.87 2.02 0.00 2.82 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 100 L 8.46 4.66 0.00 1.56 1.73 0.94 0.93 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 0.00 101 T 8.51 4.30 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 1.27 0.00 0.00 102 D 8.80 4.35 0.00 2.79 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 0.00 103 D 8.17 4.45 0.00 2.69 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 0.00 104 G 8.21 3.73 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 0.00 0.00 0.00 105 R 8.34 3.91 0.00 2.01 2.10 0.00 3.11 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 106 A 8.26 4.01 1.39 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 0.00 0.00 0.00 0.00 0.00 107 L 8.08 3.86 0.00 1.82 1.88 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.28 4.14 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 0.00 109 E 8.29 4.02 0.00 2.34 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 2.36 2.35 0.00 110 S 8.22 4.26 0.00 4.11 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 0.00 111 L 8.40 4.05 0.00 2.16 1.99 1.13 0.94 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 0.00 112 V 8.65 3.94 2.26 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 1.16 0.00 0.00 1.16 0.00 0.00 113 A 8.16 4.01 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 0.00 114 S 8.12 4.09 0.00 4.20 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 0.00 115 A 8.26 2.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.28 3.79 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 117 A 8.03 3.97 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.52 4.02 0.00 3.27 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.33 3.91 0.00 2.00 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 0.00 2.28 2.32 0.00 120 T 8.07 3.87 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 1.20 0.00 0.00 121 R 8.15 3.84 0.00 2.04 2.01 0.00 3.10 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 122 L 7.78 3.93 0.00 1.82 1.78 0.91 0.63 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 0.00 123 L 8.01 3.99 0.00 1.62 1.71 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.26 4.18 0.00 3.92 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 0.00 125 A 7.67 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.90 4.17 0.00 1.90 1.71 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.77 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 0.00 128 D 8.05 4.46 0.00 2.66 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 0.00 129 T 7.95 4.39 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 1.25 0.00 0.00 130 D 8.79 4.29 0.00 2.68 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 0.00 131 A 8.25 4.24 1.28 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 0.00 0.00 0.00 132 A 7.66 3.97 1.40 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 0.00 0.00 0.00 133 R 7.69 4.61 0.00 1.84 1.91 0.00 3.16 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 134 I 7.89 3.63 1.93 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 1.20 0.94 0.00 0.00 135 K 8.03 4.07 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.49 7.81 136 G 7.99 3.55 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 0.00 0.00 0.00 0.00 137 V 7.82 3.58 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 1.08 0.00 0.00 0.97 0.00 0.00 138 L 8.07 3.94 0.00 1.72 1.68 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.10 3.87 0.00 2.15 1.99 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 140 T 8.48 3.85 4.41 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 1.21 0.00 0.00 141 L 7.98 3.92 0.00 1.73 1.85 0.91 0.70 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 0.00 142 L 7.97 3.96 0.00 1.75 1.71 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.88 4.53 0.00 2.84 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 0.00 144 V 7.93 3.76 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 1.03 0.00 0.00 0.95 0.00 0.00 145 L 7.89 4.29 0.00 1.80 1.69 0.91 1.24 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 0.00 146 D 7.75 4.60 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.