NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.3793 0.0000 0.0000 62.8673 32.1511 174.9733 23 F 4.2678 8.2171 119.8896 55.8717 41.4411 173.8586 24 R 4.1438 6.5222 123.6718 55.9998 33.2914 173.2114 25 F 5.1710 8.4452 121.1643 56.0324 40.9650 176.1120 26 S 4.3530 8.3368 119.4480 57.6156 63.2566 173.7240 27 P 4.4506 0.0000 0.0000 63.3338 30.9422 175.6017 28 E 5.0484 7.6046 117.8609 55.4481 32.1796 174.8457 29 P 4.6784 0.0000 0.0000 62.5074 31.9842 177.4628 30 T 4.2612 8.4149 113.4559 61.0475 70.8308 175.5242 31 L 4.0248 8.3117 120.0344 57.7050 41.3772 179.2990 32 E 4.0582 8.1028 119.0541 59.1645 29.5590 178.0782 33 D 4.3166 7.8885 119.0093 57.2062 40.3076 178.4500 34 I 3.6872 7.7390 119.9209 64.5064 36.8679 178.5399 35 R 4.0986 7.6599 118.6896 59.2416 29.7613 178.6381 36 R 4.0625 7.5061 114.7118 59.1557 29.6511 178.4622 37 L 4.1394 8.3395 118.9637 56.6298 41.7164 177.0883 38 H 4.6538 7.4624 116.9214 56.1388 31.5865 174.5738 39 A 3.8701 7.1472 122.5519 52.3933 18.2928 176.5583 *49 Q 4.2815 8.2357 123.6930 55.8559 30.5359 176.4695 50 F 4.3548 7.5978 114.9498 61.8571 39.8932 177.8108 51 H 4.5125 8.2865 120.9322 55.9534 27.6435 175.2707 52 Q 4.6269 7.7257 118.4594 53.5728 32.7969 173.8917 53 P 4.2936 0.0000 0.0000 66.2323 30.7831 178.4371 54 R 4.3660 7.7693 113.9883 57.0773 30.0652 177.9974 55 N 4.4845 7.9422 116.7666 55.5774 38.7026 176.9470 56 L 4.0643 7.5974 119.1083 57.0721 41.6380 178.8248 57 L 4.0095 7.4125 119.2709 57.4219 41.5193 178.5098 58 L 4.0251 7.5874 117.6065 56.7555 41.4559 178.5525 59 A 3.8331 7.2794 119.6133 53.5942 18.4263 179.4167 60 L 3.7876 7.2616 119.4281 58.2990 42.0689 179.2267 61 V 3.7122 7.3019 116.8155 65.4596 31.5770 178.1090 62 G 3.6074 7.4455 104.8575 47.9663 0.0000 175.7523 63 E 4.1288 7.7632 121.7600 58.7214 29.4549 179.6025 64 V 3.8568 7.9187 118.2830 65.3143 31.2835 178.0623 65 G 3.6593 8.1287 105.2292 47.0462 0.0000 175.4378 66 E 4.1905 7.9037 120.4038 59.0227 29.6544 178.6053 67 L 4.0415 8.6054 120.5264 58.2059 41.8213 178.9584 68 A 4.0155 8.1650 120.5295 54.9739 18.3586 179.4110 69 E 4.1009 8.0349 116.8093 58.9389 29.1759 178.0937 70 L 4.4765 7.5451 117.7385 54.9858 42.3296 177.5213 71 F 4.7308 8.3217 117.7408 57.8639 43.0131 176.8416 72 Q 3.7105 7.6787 118.1053 58.8284 27.8298 178.6595 73 W 5.3508 7.4772 116.1755 56.4138 30.3956 177.0485 74 K 4.5555 7.4540 122.3477 56.4871 31.4977 176.0129 75 S 4.5295 7.9680 118.0697 58.9157 64.6951 176.3062 76 D 4.6387 8.8031 121.2933 55.2543 40.6315 175.8386 77 T 4.1427 8.0032 124.6787 63.7106 73.9336 171.8614 *80 G 3.8780 8.5397 114.1108 46.5608 0.0000 171.3890 81 P 2.9700 0.0000 0.0000 62.2324 31.7636 177.1637 82 Q 3.8973 7.5860 115.4584 57.2980 28.9728 176.0627 83 A 4.7707 7.0816 122.4724 51.6902 19.5901 176.0554 84 W 4.9183 8.0132 118.4577 56.4155 30.8825 175.3255 85 P 4.4528 0.0000 0.0000 62.2265 32.6857 176.1270 86 P 4.2766 0.0000 0.0000 65.9739 31.2126 179.3438 87 K 4.2583 8.0855 115.0287 59.0146 32.1751 178.7318 88 E 4.2171 8.1108 118.9059 59.0508 29.8398 178.1998 89 R 4.0513 8.3287 118.3447 59.9474 29.9558 178.3225 90 A 4.0597 8.8263 120.2292 54.9258 18.2712 179.0892 91 A 4.1760 8.6092 119.0683 54.2170 18.8950 179.3941 92 L 4.1002 7.8954 118.7999 58.0453 42.3770 178.6433 93 Q 4.1571 8.2039 118.0714 58.2643 28.9660 177.9540 94 E 3.9485 7.9488 119.8738 59.6169 29.5052 179.1236 95 E 4.0601 8.5648 119.2359 58.9728 29.5283 178.9482 96 L 4.0476 7.6083 119.1175 57.6195 41.7132 179.4870 97 S 4.0692 8.0013 113.9089 61.4331 62.8430 175.8736 98 D 4.3104 7.9160 122.6473 57.2002 40.6589 179.1726 99 V 3.6433 7.5105 118.2995 66.3408 30.7587 177.1479 100 L 3.8357 7.6624 119.6287 58.6338 41.8623 178.8542 101 I 4.1725 8.2315 119.7621 64.5101 36.9413 177.5352 102 Y 4.1837 7.5527 116.6719 60.0626 38.4170 177.6140 103 L 3.7799 8.4661 121.7128 58.5888 42.1331 178.3917 104 V 3.5036 9.3881 117.9405 65.6608 31.0139 177.3940 105 A 3.9700 8.1959 119.6442 55.4894 18.2280 179.1058 106 L 3.9151 8.6377 117.9269 58.5925 42.4139 178.9723 107 A 4.1402 8.0029 119.8625 54.9697 18.2168 179.1338 108 A 4.1026 8.0658 117.3052 53.8819 18.4981 178.4353 109 R 4.3185 7.4075 115.1719 56.4764 31.3706 176.5526 110 C 4.3966 7.9304 114.3053 59.3343 29.5693 172.4409 111 H 3.9818 8.1186 116.1182 57.1761 25.1200 175.0326 112 V 4.3670 7.3561 117.1289 60.9495 34.5879 175.9074 113 D 4.6920 8.7009 127.7540 54.3707 39.0095 176.1507 114 L 3.8008 7.6838 125.4682 57.4881 43.1214 176.7705 115 P 4.3487 0.0000 0.0000 65.6912 31.1840 178.3866 116 Q 3.9290 8.2333 115.5598 59.2582 28.7042 178.9019 117 A 3.9647 7.8497 119.9460 54.8346 18.4649 179.4588 118 V 3.7946 7.7501 117.1149 65.7726 31.8339 178.2004 119 I 3.7719 7.9529 113.2282 63.8725 37.2011 178.2145 120 S 4.2455 8.0257 114.8829 61.3228 62.8046 176.2531 121 K 4.1329 7.6588 120.7321 58.3444 31.8704 177.4732 122 M 4.3148 8.1635 123.8361 55.3490 32.2572 175.6258 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 22 P 0.00 4.38 0.00 2.21 2.07 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 23 F 8.22 4.27 0.00 3.11 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 24 R 6.52 4.14 0.00 1.61 1.51 0.00 3.22 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 25 F 8.45 5.17 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 26 S 8.34 4.35 0.00 3.90 3.80 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 27 P 0.00 4.45 0.00 2.17 2.18 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 28 E 7.60 5.05 0.00 2.09 1.96 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 2.04 2.03 0.00 29 P 0.00 4.68 0.00 2.01 2.01 0.00 3.67 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 30 T 8.41 4.26 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 31 L 8.31 4.02 0.00 1.71 1.75 0.93 0.73 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 32 E 8.10 4.06 0.00 2.07 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 2.45 0.00 33 D 7.89 4.32 0.00 2.89 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 34 I 7.74 3.69 1.83 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 1.36 0.92 0.85 0.00 0.00 35 R 7.66 4.10 0.00 2.02 2.10 0.00 3.08 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 36 R 7.51 4.06 0.00 1.96 2.15 0.00 3.11 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 37 L 8.34 4.14 0.00 1.58 1.76 0.90 0.94 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 38 H 7.46 4.65 0.00 3.15 3.21 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.15 3.87 1.30 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 0.00 0.00 *49 Q 8.24 4.28 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 50 F 7.60 4.35 0.00 3.00 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 51 H 8.29 4.51 0.00 3.18 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.73 4.63 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.82 0.00 0.00 0.00 0.00 0.00 2.99 2.31 0.00 53 P 0.00 4.29 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 54 R 7.77 4.37 0.00 1.85 1.94 0.00 3.11 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 55 N 7.94 4.48 0.00 2.97 2.84 0.00 0.00 7.14 6.74 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 56 L 7.60 4.06 0.00 1.97 1.74 0.98 0.56 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 57 L 7.41 4.01 0.00 1.84 1.62 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.59 4.03 0.00 1.67 1.60 0.89 0.72 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 59 A 7.28 3.83 0.54 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 0.00 0.00 60 L 7.26 3.79 0.00 1.82 1.76 0.98 0.77 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 61 V 7.30 3.71 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 0.82 0.00 0.00 0.96 0.00 0.00 62 G 7.45 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.76 4.13 0.00 2.00 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 2.48 2.70 0.00 64 V 7.92 3.86 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 0.96 0.00 0.00 0.92 0.00 0.00 65 G 8.13 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 0.00 0.00 0.00 66 E 7.90 4.19 0.00 2.22 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 2.39 2.44 0.00 67 L 8.61 4.04 0.00 1.80 1.73 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.16 4.02 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 69 E 8.03 4.10 0.00 2.29 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 2.40 2.59 0.00 70 L 7.55 4.48 0.00 1.97 1.85 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.32 4.73 0.00 3.24 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 72 Q 7.68 3.71 0.00 0.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.50 0.00 0.00 0.00 0.00 0.00 2.09 1.39 0.00 73 W 7.48 5.35 0.00 3.23 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 74 K 7.45 4.56 0.00 1.94 1.69 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 75 S 7.97 4.53 0.00 3.96 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 0.00 76 D 8.80 4.64 0.00 2.71 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 77 T 8.00 4.14 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 1.27 0.00 0.00 *80 G 8.54 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 0.00 0.00 0.00 81 P 0.00 2.97 0.00 1.56 0.49 0.00 3.34 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 82 Q 7.59 3.90 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.51 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 83 A 7.08 4.77 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 84 W 8.01 4.92 0.00 3.22 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 85 P 0.00 4.45 0.00 2.16 2.02 0.00 3.77 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 2.07 2.21 0.00 86 P 0.00 4.28 0.00 2.19 2.12 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 87 K 8.09 4.26 0.00 1.74 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 88 E 8.11 4.22 0.00 2.31 2.15 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 2.25 2.28 0.00 89 R 8.33 4.05 0.00 2.23 2.03 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 90 A 8.83 4.06 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 91 A 8.61 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.10 0.00 2.03 1.90 1.23 0.42 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 93 Q 8.20 4.16 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 94 E 7.95 3.95 0.00 2.16 2.02 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 2.28 2.71 0.00 95 E 8.56 4.06 0.00 2.27 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 2.43 0.00 96 L 7.61 4.05 0.00 2.11 1.71 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.00 4.07 0.00 4.03 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 0.00 98 D 7.92 4.31 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 3.64 2.27 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 0.93 0.00 0.00 1.04 0.00 0.00 100 L 7.66 3.84 0.00 1.70 1.84 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.23 4.17 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 0.30 0.00 0.00 102 Y 7.55 4.18 0.00 3.12 2.88 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 0.00 103 L 8.47 3.78 0.00 1.72 1.94 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 V 9.39 3.50 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 0.98 0.00 0.00 0.89 0.00 0.00 105 A 8.20 3.97 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 0.00 106 L 8.64 3.92 0.00 1.62 1.83 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.00 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 0.00 108 A 8.07 4.10 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 0.00 109 R 7.41 4.32 0.00 1.88 2.08 0.00 3.28 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 110 C 7.93 4.40 0.00 3.14 2.98 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 0.00 111 H 8.12 3.98 0.00 3.28 3.39 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.36 4.37 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 0.82 0.00 0.00 0.95 0.00 0.00 113 D 8.70 4.69 0.00 2.73 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 0.00 114 L 7.68 3.80 0.00 1.63 1.68 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.35 0.00 2.20 2.06 0.00 3.90 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 2.11 2.18 0.00 116 Q 8.23 3.93 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.61 2.39 0.00 117 A 7.85 3.96 1.38 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 0.00 0.00 0.00 118 V 7.75 3.79 2.31 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 1.06 0.00 0.00 1.03 0.00 0.00 119 I 7.95 3.77 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 1.58 0.89 0.92 0.00 0.00 120 S 8.03 4.25 0.00 4.04 4.05 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 0.00 121 K 7.66 4.13 0.00 1.91 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 122 M 8.16 4.31 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.