NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.8198 8.2676 117.8015 52.0663 38.6038 174.6157 12 V 3.7296 8.2355 125.8941 63.1615 32.1782 178.0494 13 K 4.1811 8.8339 126.4313 59.4342 32.4630 183.9378 14 D 4.5330 7.7503 117.3317 57.4010 40.7770 178.8843 15 V 3.2798 7.6855 118.3733 66.0523 31.5221 177.8902 16 T 3.7912 7.4348 114.1866 66.7247 68.4782 176.4736 17 K 3.9048 7.7971 120.9783 59.0790 31.9278 178.6799 18 L 3.7145 7.5908 120.0038 58.0755 42.3546 178.7509 19 V 3.6577 8.0397 118.2551 66.0127 31.2293 177.8357 20 A 4.1384 8.0658 119.2219 54.1131 18.1843 177.7549 21 N 4.7851 7.5224 112.5309 52.9414 39.0236 174.4429 22 L 4.6904 7.4123 118.6995 52.1687 43.5480 174.9141 23 P 4.3822 0.0000 0.0000 62.6725 31.7499 177.8344 24 K 4.0919 8.8867 122.5688 58.8698 32.1595 177.3516 25 D 4.8358 8.1127 116.2142 53.0989 39.6682 175.5607 26 Y 4.4961 7.5771 122.0826 56.6305 41.0989 173.7908 *28 I 3.7198 7.9791 118.6848 61.4719 38.5747 175.5541 29 T 4.6829 8.3987 124.0713 63.5928 69.5446 174.1434 30 L 4.6168 9.1131 126.7885 54.5606 46.1293 175.1893 31 K 4.7294 8.7914 126.7273 55.0245 30.2206 174.7753 32 Y 4.0761 8.3397 123.8499 57.4275 39.8821 175.2649 33 V 3.6897 7.5909 126.5529 60.9039 31.7772 173.8373 34 P 4.1653 0.0000 0.0000 64.1038 32.0588 177.2940 35 G 4.1273 8.6129 112.3987 46.4598 0.0000 173.2279 *37 D 4.4009 7.9134 120.9713 53.4049 41.5930 178.1622 38 V 4.0752 7.6241 110.5399 61.2634 32.8119 176.1462 39 L 4.6591 7.8643 119.1642 52.3201 43.2313 174.7666 40 P 4.4368 0.0000 0.0000 62.2997 32.0042 177.9221 41 S 2.8161 8.4544 116.2113 61.0460 62.4202 176.3958 42 H 4.1768 7.6918 116.2181 58.3694 28.4571 178.0457 43 C 4.5188 7.8929 117.4585 58.8052 38.6330 174.2746 44 W 5.0395 7.1819 112.8370 56.5988 30.8412 176.6877 45 I 3.4038 7.0555 119.2311 63.9073 37.1874 176.8516 46 S 4.2650 8.1311 114.3389 61.4498 62.5516 176.9408 47 E 3.6782 6.8941 120.8908 55.9915 28.6673 178.8468 *49 V 4.1385 7.8824 112.4412 61.2052 34.1729 178.4906 50 V 3.6009 7.5785 118.1344 66.1347 31.3386 178.1771 51 Q 4.0536 8.0683 117.7993 59.0161 28.4699 178.7729 52 L 4.2014 7.9300 119.5897 57.6657 41.6333 179.1985 53 S 4.1660 8.4533 113.4335 61.6450 62.3591 176.0816 54 D 4.3790 8.2394 121.3860 57.6007 40.4705 179.0335 55 S 4.1694 8.2895 115.6514 61.5889 62.7349 176.7776 56 L 4.1749 8.4436 122.0312 57.8113 41.1309 179.6608 57 T 3.8782 8.0610 115.5183 66.7118 68.5637 176.1628 58 D 4.5015 8.2490 120.8505 57.2178 40.7649 178.5319 59 L 4.0324 8.2463 121.1994 58.1803 42.1934 178.7634 60 L 3.9708 8.3283 120.7282 57.9681 41.7209 178.1552 61 D 4.6438 7.7485 117.3894 55.0621 39.5488 177.8171 62 K 4.0193 8.0509 119.4927 56.8447 32.4261 176.4077 63 F 4.8759 7.3513 116.6721 55.5493 41.8825 174.6319 64 S 4.8760 8.4760 117.4380 56.5603 65.7814 173.7341 65 N 4.3965 7.9533 120.6760 53.0881 39.4342 174.4565 66 I 4.4587 8.0216 124.5043 59.6245 40.1312 176.5677 67 S 4.4719 8.5145 124.0593 58.2583 61.9185 172.3785 68 E 4.5636 7.3611 118.4647 57.2312 33.6933 178.1809 69 G 3.8639 7.3424 114.0518 44.2830 0.0000 171.6862 70 L 4.0405 8.6621 123.3011 54.8646 42.2747 177.0533 71 S 4.8144 8.2680 117.5650 56.1851 67.1445 174.7594 72 N 3.9523 8.3883 119.4971 56.6302 37.9727 176.5983 73 Y 3.7925 7.8538 120.2609 60.9968 38.9198 178.1666 74 S 4.2197 8.1086 115.3191 61.7422 62.9944 177.1805 75 I 3.6451 7.9441 122.5385 64.3582 36.8899 178.5011 76 I 3.5705 7.8953 121.0112 64.2556 36.9145 177.6650 77 D 4.2151 7.9333 119.0188 57.5658 41.0718 178.3993 78 K 3.8834 7.9472 119.6298 59.6689 32.0353 178.6443 79 L 4.1268 7.8282 119.2671 57.4044 41.4704 179.3839 80 V 3.6172 8.1882 118.7521 66.2958 31.6141 177.9289 81 N 4.3664 8.3243 116.0907 56.2713 38.4064 177.5627 82 I 3.7348 7.8034 121.3313 64.3744 37.2156 178.7729 83 V 3.8183 7.9844 119.6068 64.3678 31.3874 178.0933 84 D 4.3792 8.4051 119.7827 57.0841 40.6021 178.2708 85 D 4.5180 7.9677 119.4742 57.1670 40.7882 178.6586 86 L 3.7950 7.7485 119.5226 57.1976 41.5594 179.5496 87 V 3.5786 7.9700 118.5699 66.0801 31.0311 177.7847 88 E 3.9335 7.8631 118.1746 59.7604 29.2422 179.0526 89 C 4.0809 8.0474 118.5053 62.4151 31.3647 175.5132 90 V 3.7923 7.7463 118.3714 64.8235 31.2855 177.3549 91 K 4.2623 7.8078 116.3493 57.9245 32.1869 178.5338 92 E 4.3893 7.8702 120.9510 58.8727 30.0345 176.3519 93 N 4.2145 7.5673 123.9391 52.3745 37.0375 176.8544 94 S 4.2999 8.3355 118.0749 58.1122 62.4947 174.1992 95 S 3.9738 8.1745 119.1397 59.2621 61.9700 174.8189 96 K 3.9683 9.0467 132.6955 58.6471 31.5546 175.1280 97 D 4.4431 8.2828 116.9598 55.8715 39.5894 177.5678 98 L 3.8960 7.0142 124.6946 54.3764 41.6869 176.7155 99 K 3.8658 8.2210 127.2261 56.8753 32.1783 176.5452 100 K 4.6720 8.5125 123.7259 55.9320 34.1204 176.0380 101 S 4.5661 7.6736 113.4898 56.6507 61.7028 172.6647 102 F 4.8695 8.5438 127.8253 55.6023 42.2420 176.2797 103 K 4.2158 8.5830 125.0364 54.1604 32.2207 177.3375 104 S 4.2656 8.6060 119.0953 57.6403 62.7956 172.7318 105 P 4.5723 0.0000 0.0000 62.1691 32.2535 175.8243 106 E 4.2290 8.6797 122.5564 55.3801 30.8902 174.1305 107 P 4.5654 0.0000 0.0000 62.9616 32.1328 175.8630 108 R 4.5974 9.2333 123.1596 54.2480 33.9313 174.4628 109 L 4.8575 8.0415 122.0380 53.6916 43.0184 176.0673 110 F 5.1625 8.7470 121.5259 55.5446 42.8556 175.2567 111 T 4.2308 8.6968 112.2254 60.7440 69.7072 173.6829 112 P 4.5669 0.0000 0.0000 65.9283 31.1545 178.5562 113 E 4.0948 8.3405 117.5578 59.4491 29.6996 178.6259 114 E 4.0128 8.2136 118.1818 59.2551 29.5204 178.9638 115 F 3.5440 8.2900 120.6775 61.3722 39.5084 177.1035 116 F 4.4757 8.3893 116.2519 59.5593 38.7663 177.7516 117 R 4.0323 7.9417 118.9413 59.0930 29.8422 178.5354 118 I 3.5259 7.4188 119.7356 64.2002 37.1219 177.7962 119 F 3.8406 8.0300 121.8944 61.5829 39.0495 177.0431 120 N 4.2647 8.4366 115.7804 56.2733 38.3665 177.3800 121 R 3.9377 7.9781 120.1527 59.5026 29.8672 178.8731 122 S 4.3468 7.8848 114.1619 61.7301 63.2704 176.2407 123 I 3.8492 7.4529 122.5005 64.5618 36.3215 178.0675 124 D 4.5290 8.2630 118.8308 56.4935 40.5055 178.4932 125 A 4.0067 7.7877 120.8797 54.7155 18.4912 179.4335 126 F 4.5870 8.0090 116.1153 60.8520 38.8196 177.7674 127 K 3.8594 7.8757 118.6072 59.8371 32.5304 178.3487 128 D 4.8670 7.2905 115.4181 52.0259 39.0688 178.4432 129 F 4.4030 7.8193 122.0742 56.9140 41.2345 177.0769 *137 D 4.6010 8.5850 122.9019 52.0194 41.9642 174.7511 138 C 4.3154 8.2175 120.1898 57.2788 40.9698 172.9380 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 11 N 8.27 4.82 0.00 2.67 2.83 0.00 0.00 6.53 6.79 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 12 V 8.24 3.73 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 0.70 0.00 0.00 0.97 0.00 0.00 13 K 8.83 4.18 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.09 7.81 14 D 7.75 4.53 0.00 2.98 2.68 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 0.00 0.00 0.00 0.00 15 V 7.69 3.28 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 0.77 0.00 0.00 0.99 0.00 0.00 16 T 7.43 3.79 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 1.20 0.00 0.00 17 K 7.80 3.90 0.00 1.75 1.87 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 18 L 7.59 3.71 0.00 1.45 1.50 0.68 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.04 3.66 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 1.02 0.00 0.00 0.92 0.00 0.00 20 A 8.07 4.14 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 21 N 7.52 4.79 0.00 2.86 2.78 0.00 0.00 6.93 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 22 L 7.41 4.69 0.00 1.75 1.74 1.12 1.15 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 23 P 0.00 4.38 0.00 2.29 2.03 0.00 3.64 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 2.01 2.11 0.00 24 K 8.89 4.09 0.00 1.79 1.93 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.48 7.81 25 D 8.11 4.84 0.00 2.80 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 26 Y 7.58 4.50 0.00 2.96 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 *28 I 7.98 3.72 1.52 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 1.20 0.30 0.13 0.00 0.00 29 T 8.40 4.68 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 1.23 0.00 0.00 30 L 9.11 4.62 0.00 2.14 1.97 1.12 0.38 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 31 K 8.79 4.73 0.00 1.90 1.80 0.00 1.96 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.73 1.33 7.81 32 Y 8.34 4.08 0.00 3.22 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 33 V 7.59 3.69 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 0.74 0.00 0.00 0.69 0.00 0.00 34 P 0.00 4.17 0.00 2.10 2.04 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 35 G 8.61 4.13 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 0.00 0.00 0.00 *37 D 7.91 4.40 0.00 2.76 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 38 V 7.62 4.08 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 39 L 7.86 4.66 0.00 1.94 1.72 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.44 0.00 1.97 1.91 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 41 S 8.45 2.82 0.00 2.96 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.69 4.18 0.00 3.34 3.64 0.00 5.46 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 43 C 7.89 4.52 0.00 3.20 3.31 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 44 W 7.18 5.04 0.00 3.37 3.21 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 0.00 45 I 7.06 3.40 0.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.31 0.58 0.00 0.00 46 S 8.13 4.27 0.00 3.96 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 47 E 6.89 3.68 0.00 1.16 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 1.85 2.04 0.00 *49 V 7.88 4.14 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 0.97 0.00 0.00 1.14 0.00 0.00 50 V 7.58 3.60 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 1.05 0.00 0.00 0.98 0.00 0.00 51 Q 8.07 4.05 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 52 L 7.93 4.20 0.00 1.93 1.93 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.45 4.17 0.00 3.99 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 54 D 8.24 4.38 0.00 2.91 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 55 S 8.29 4.17 0.00 4.07 3.81 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 56 L 8.44 4.17 0.00 1.82 1.75 0.96 1.07 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 57 T 8.06 3.88 4.48 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 1.23 0.00 0.00 58 D 8.25 4.50 0.00 2.93 2.72 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 59 L 8.25 4.03 0.00 1.83 1.87 1.21 0.86 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 60 L 8.33 3.97 0.00 1.80 1.78 0.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.75 4.64 0.00 2.84 2.81 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 62 K 8.05 4.02 0.00 1.46 1.29 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.65 7.81 63 F 7.35 4.88 0.00 3.21 3.11 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 64 S 8.48 4.88 0.00 3.84 3.70 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 65 N 7.95 4.40 0.00 1.74 2.38 0.00 0.00 6.81 7.94 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 66 I 8.02 4.46 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.90 0.00 0.00 67 S 8.51 4.47 0.00 3.96 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 68 E 7.36 4.56 0.00 1.90 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 2.16 2.25 0.00 69 G 7.34 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 70 L 8.66 4.04 0.00 1.61 1.59 0.90 0.73 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 71 S 8.27 4.81 0.00 4.01 3.94 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 72 N 8.39 3.95 0.00 1.75 1.78 0.00 0.00 6.43 7.48 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 73 Y 7.85 3.79 0.00 3.18 2.92 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 74 S 8.11 4.22 0.00 4.04 3.94 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 75 I 7.94 3.65 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.78 0.00 0.00 76 I 7.90 3.57 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.91 0.00 0.00 77 D 7.93 4.22 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 78 K 7.95 3.88 0.00 1.95 2.05 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 79 L 7.83 4.13 0.00 1.86 1.53 0.65 0.77 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 80 V 8.19 3.62 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 1.09 0.00 0.00 0.99 0.00 0.00 81 N 8.32 4.37 0.00 2.80 2.86 0.00 0.00 7.10 6.76 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 82 I 7.80 3.73 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.94 0.00 0.00 83 V 7.98 3.82 2.21 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 0.94 0.00 0.00 1.01 0.00 0.00 84 D 8.41 4.38 0.00 2.83 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 85 D 7.97 4.52 0.00 2.83 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 86 L 7.75 3.80 0.00 1.74 1.36 0.59 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.97 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 1.05 0.00 0.00 1.06 0.00 0.00 88 E 7.86 3.93 0.00 2.13 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 2.46 0.00 89 C 8.05 4.08 0.00 2.93 2.97 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 90 V 7.75 3.79 2.35 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 0.94 0.00 0.00 1.19 0.00 0.00 91 K 7.81 4.26 0.00 1.81 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.62 7.81 92 E 7.87 4.39 0.00 2.07 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 2.52 2.44 0.00 93 N 7.57 4.21 0.00 2.69 2.72 0.00 0.00 7.23 8.46 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 94 S 8.34 4.30 0.00 3.96 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 95 S 8.17 3.97 0.00 3.84 3.81 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 96 K 9.05 3.97 0.00 1.81 1.75 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.05 7.81 97 D 8.28 4.44 0.00 2.69 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 98 L 7.01 3.90 0.00 1.61 1.83 0.84 0.66 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 99 K 8.22 3.87 0.00 1.72 1.74 0.00 1.65 0.00 0.00 1.06 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.44 1.05 7.81 100 K 8.51 4.67 0.00 1.77 1.86 0.00 1.97 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.56 7.81 101 S 7.67 4.57 0.00 3.77 3.66 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 0.00 102 F 8.54 4.87 0.00 3.09 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 0.00 103 K 8.58 4.22 0.00 1.77 1.59 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.03 7.81 104 S 8.61 4.27 0.00 3.89 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 0.00 105 P 0.00 4.57 0.00 1.99 2.13 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.22 0.00 106 E 8.68 4.23 0.00 2.09 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 2.39 2.36 0.00 107 P 0.00 4.57 0.00 1.98 2.00 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 108 R 9.23 4.60 0.00 1.87 1.04 0.00 3.11 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 109 L 8.04 4.86 0.00 1.32 1.43 0.83 0.67 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 0.00 110 F 8.75 5.16 0.00 3.12 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 0.00 111 T 8.70 4.23 4.33 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 1.26 0.00 0.00 112 P 0.00 4.57 0.00 2.36 2.44 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 113 E 8.34 4.09 0.00 2.13 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 2.46 2.48 0.00 114 E 8.21 4.01 0.00 2.43 2.21 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 2.42 2.42 0.00 115 F 8.29 3.54 0.00 3.09 2.97 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 0.00 116 F 8.39 4.48 0.00 3.42 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 0.00 117 R 7.94 4.03 0.00 2.11 2.13 0.00 3.15 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 118 I 7.42 3.53 1.57 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.63 0.00 0.00 119 F 8.03 3.84 0.00 2.63 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 0.00 120 N 8.44 4.26 0.00 2.91 2.89 0.00 0.00 6.69 6.96 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 0.00 121 R 7.98 3.94 0.00 1.92 2.03 0.00 3.18 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 122 S 7.88 4.35 0.00 3.96 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 0.00 123 I 7.45 3.85 1.62 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.31 0.84 0.00 0.00 124 D 8.26 4.53 0.00 2.90 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 0.00 125 A 7.79 4.01 1.13 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 0.00 0.00 126 F 8.01 4.59 0.00 3.42 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 0.00 127 K 7.88 3.86 0.00 2.00 1.94 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.46 7.81 128 D 7.29 4.87 0.00 2.76 2.49 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 0.00 0.00 0.00 129 F 7.82 4.40 0.00 3.29 2.91 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 *137 D 8.59 4.60 0.00 2.72 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 0.00 138 C 8.22 4.32 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.