NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.1920 8.2649 123.5837 52.2586 19.7412 176.3058 9 D 4.5310 8.2919 126.8014 54.2902 39.5949 174.5555 10 G 3.9555 8.7343 106.5005 45.3216 0.0000 172.6865 11 S 4.1878 7.7365 115.4833 58.2158 63.3472 173.7033 12 V 4.1722 8.0827 123.9064 60.6695 32.9187 175.2871 13 A 4.2295 8.2821 129.9730 50.8655 19.1082 174.5209 14 P 4.3301 0.0000 0.0000 64.4277 31.6842 177.2523 15 G 3.9754 9.0434 111.2850 45.2093 0.0000 173.3497 16 Q 4.4827 7.6550 117.8340 54.5489 30.3308 174.9553 17 L 4.6670 7.8476 119.5043 52.7547 44.1712 176.5177 18 D 4.5057 8.0760 120.3896 54.5725 41.3983 177.2909 19 D 4.3229 8.3361 120.3511 56.3920 41.5829 176.2764 20 Y 5.0107 7.8330 115.2639 56.5228 42.8976 173.8666 21 Y 4.4924 8.9831 119.1999 57.2245 39.5143 175.1654 22 G 4.3083 8.8856 110.9869 44.4255 0.0000 171.9189 23 F 5.5015 8.9985 123.2226 55.6995 41.0857 174.7612 24 W 4.8362 9.8443 125.2054 55.0701 31.2161 176.7480 25 S 5.0031 8.4925 118.8829 57.7266 64.4740 173.9734 26 S 4.7218 8.2412 110.2171 57.0159 65.3364 174.7867 27 G 3.7795 8.0952 110.8376 46.7372 0.0000 176.8156 28 Q 4.1316 8.8454 121.4514 58.2043 28.4680 177.9202 29 S 4.1721 8.0552 114.7023 59.5640 63.1284 175.1525 30 G 4.1611 8.7355 108.4322 45.8713 0.0000 172.3590 31 E 5.0094 8.2311 116.6051 54.3771 32.9460 174.5570 32 M 4.8769 8.7205 119.5163 53.9044 34.8143 174.5707 33 R 5.1539 9.0167 124.0088 54.5036 33.9810 174.7045 34 I 4.8326 8.8189 123.6060 59.6885 39.6200 174.9391 35 L 4.9318 8.9151 126.7618 52.7445 45.7738 175.3180 36 G 4.3002 8.4723 107.4412 43.9165 0.0000 172.7114 37 I 4.9603 8.4751 125.1956 58.6588 40.0469 174.3923 38 P 4.6483 0.0000 0.0000 62.7385 31.6041 177.0355 39 S 4.2118 7.9812 114.8364 59.5901 63.0108 175.0357 40 M 2.9850 8.3848 118.4567 55.8089 29.7954 176.3820 41 R 4.1622 7.3674 118.3453 55.4892 31.7663 175.5209 42 E 4.2124 8.5061 124.7104 56.0676 29.3742 176.1263 43 L 4.2644 8.8927 128.8613 57.5927 42.6608 176.8657 44 M 4.6678 7.5780 115.6608 54.6637 35.8086 173.4696 45 R 4.9941 8.5190 121.1592 54.2816 33.4626 175.1004 46 V 4.2659 8.8328 124.6156 60.1156 33.5570 172.9720 47 P 4.1432 0.0000 0.0000 63.1129 31.4838 174.8330 48 V 3.7971 8.2724 120.5721 62.9814 32.3071 175.6325 49 F 5.2509 8.8772 120.7558 57.5893 40.2169 175.5467 50 N 4.8082 8.2942 115.9479 51.5665 38.7546 174.4122 51 R 4.3938 8.4327 119.8148 55.4108 30.6069 175.5262 52 C 4.4906 8.9507 127.4016 57.8175 31.2085 173.7688 53 S 4.1057 8.8142 122.9608 61.3591 62.3595 175.5721 54 A 4.1470 8.1865 122.2478 55.2179 18.2310 178.3102 55 T 4.2325 7.9887 102.8074 61.8423 69.8364 175.7946 56 G 3.9332 8.3627 111.3108 44.6387 0.0000 172.9088 57 W 4.2462 7.8901 131.0096 58.6645 30.8328 176.2256 58 G 3.9613 8.1676 114.5540 45.4903 0.0000 174.1844 59 Q 4.4255 8.1588 115.0406 55.2600 30.4674 176.6516 60 T 4.0796 7.5887 109.4693 61.4953 71.0182 175.0273 61 N 4.3027 8.6198 120.0522 56.4210 38.2939 177.6673 62 E 3.9788 8.0545 120.1053 59.2795 29.6740 179.2602 63 S 3.5433 7.6213 114.1495 60.9391 63.0191 176.5585 64 V 3.4279 7.6715 121.9216 65.7519 31.1727 177.9414 65 R 3.8776 7.7849 118.1223 59.5482 29.6821 178.6201 66 I 3.7566 7.0753 117.2021 64.5520 37.1393 177.9159 67 H 4.3328 7.9166 116.1138 58.9733 28.8250 177.4148 68 E 4.1831 8.7211 119.6015 57.6771 29.1401 178.7570 69 R 3.9166 7.3959 119.5305 59.3867 29.9817 177.1180 70 T 4.4780 7.6579 103.0435 61.1094 69.2762 173.7999 71 M 4.0759 7.6603 123.1710 56.0020 32.7625 176.2729 72 S 4.3417 8.4017 120.1335 58.1164 64.6735 174.5481 *860 E 4.3102 8.5296 119.8853 56.6954 31.4814 178.7507 861 R 4.0029 7.9562 117.3386 59.5739 30.0129 179.0875 862 T 3.9669 7.9460 115.5078 66.4157 68.4599 176.6758 863 K 3.9175 8.2981 121.7522 59.4390 32.1581 178.7469 864 K 3.9460 8.6484 120.2230 59.3521 32.2976 178.5362 865 F 4.0859 8.4460 120.9904 61.3578 39.2780 177.0785 866 L 3.8301 8.3649 118.6203 57.7094 41.5371 179.3138 867 A 3.8970 8.0240 120.4644 55.1288 18.0682 179.4083 868 A 4.0591 7.6050 117.4744 53.9852 18.3878 178.5061 869 N 4.7644 6.9110 112.4704 52.1532 39.2581 174.7588 870 G 3.9146 7.7476 107.0672 46.6055 0.0000 174.2816 871 K 4.6455 8.0922 117.4221 54.2375 35.5189 176.3193 872 R 4.3408 8.5452 120.9818 57.3891 31.2044 176.2617 873 I 4.2021 7.3552 114.6835 61.0194 37.6368 174.5282 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 8 A 8.26 4.19 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 9 D 8.29 4.53 0.00 2.92 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 10 G 8.73 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 11 S 7.74 4.19 0.00 3.86 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 12 V 8.08 4.17 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 0.80 0.00 0.00 0.93 0.00 0.00 13 A 8.28 4.23 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 14 P 0.00 4.33 0.00 2.03 2.00 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 2.01 2.07 0.00 15 G 9.04 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 16 Q 7.66 4.48 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 17 L 7.85 4.67 0.00 1.53 1.45 0.87 0.99 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 18 D 8.08 4.51 0.00 2.59 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 19 D 8.34 4.32 0.00 2.39 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 0.00 0.00 0.00 20 Y 7.83 5.01 0.00 2.94 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 21 Y 8.98 4.49 0.00 2.83 2.39 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 22 G 8.89 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 0.00 0.00 0.00 23 F 9.00 5.50 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 24 W 9.84 4.84 0.00 3.36 3.02 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 0.00 0.00 0.00 25 S 8.49 5.00 0.00 3.90 3.87 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 26 S 8.24 4.72 0.00 4.04 4.17 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 27 G 8.10 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.85 4.13 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 S 8.06 4.17 0.00 4.13 4.02 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 0.00 0.00 0.00 30 G 8.74 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 0.00 0.00 0.00 31 E 8.23 5.01 0.00 2.07 1.94 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 2.23 2.25 0.00 32 M 8.72 4.88 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 33 R 9.02 5.15 0.00 1.92 1.77 0.00 3.23 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 34 I 8.82 4.83 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.87 0.00 0.00 35 L 8.92 4.93 0.00 1.11 1.23 -0.41 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.47 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 0.00 0.00 0.00 0.00 37 I 8.48 4.96 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 1.03 0.00 0.00 38 P 0.00 4.65 0.00 2.20 2.20 0.00 3.76 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 2.10 1.97 0.00 39 S 7.98 4.21 0.00 3.97 4.02 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 0.00 0.00 0.00 40 M 8.38 2.98 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.83 0.00 41 R 7.37 4.16 0.00 1.64 1.74 0.00 3.06 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 42 E 8.51 4.21 0.00 1.82 1.77 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 2.21 2.22 0.00 43 L 8.89 4.26 0.00 1.56 1.66 0.77 0.72 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 44 M 7.58 4.67 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 45 R 8.52 4.99 0.00 1.67 1.90 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 46 V 8.83 4.27 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 0.81 0.00 0.00 0.91 0.00 0.00 47 P 0.00 4.14 0.00 1.75 1.94 0.00 3.46 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.86 0.00 48 V 8.27 3.80 1.77 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 -0.30 0.00 0.00 0.62 0.00 0.00 49 F 8.88 5.25 0.00 3.17 3.10 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 50 N 8.29 4.81 0.00 2.93 3.11 0.00 0.00 5.98 7.66 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 51 R 8.43 4.39 0.00 1.83 1.96 0.00 3.51 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 52 C 8.95 4.49 0.00 3.12 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 53 S 8.81 4.11 0.00 3.90 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 54 A 8.19 4.15 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 0.00 0.00 0.00 0.00 0.00 55 T 7.99 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 1.24 0.00 0.00 56 G 8.36 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 57 W 7.89 4.25 0.00 3.43 3.01 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 58 G 8.17 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 59 Q 8.16 4.43 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 60 T 7.59 4.08 4.40 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 1.24 0.00 0.00 61 N 8.62 4.30 0.00 2.76 2.88 0.00 0.00 6.99 7.66 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 62 E 8.05 3.98 0.00 2.05 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 2.42 2.43 0.00 63 S 7.62 3.54 0.00 2.72 3.41 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 64 V 7.67 3.43 2.13 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 0.93 0.00 0.00 0.88 0.00 0.00 65 R 7.78 3.88 0.00 2.01 2.05 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 66 I 7.08 3.76 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 1.03 0.00 0.00 67 H 7.92 4.33 0.00 3.20 3.32 0.00 5.65 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 68 E 8.72 4.18 0.00 2.03 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 2.32 2.40 0.00 69 R 7.40 3.92 0.00 1.92 2.01 0.00 3.23 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 70 T 7.66 4.48 4.26 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 1.23 0.00 0.00 71 M 7.66 4.08 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 72 S 8.40 4.34 0.00 4.06 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 *860 E 8.53 4.31 0.00 2.06 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 0.00 2.31 2.29 0.00 861 R 7.96 4.00 0.00 1.86 2.00 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 862 T 7.95 3.97 4.42 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 1.29 0.00 0.00 863 K 8.30 3.92 0.00 1.98 2.01 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 864 K 8.65 3.95 0.00 1.94 2.00 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 865 F 8.45 4.09 0.00 3.21 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 0.00 866 L 8.36 3.83 0.00 1.73 1.75 1.04 1.26 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 0.00 867 A 8.02 3.90 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 0.00 868 A 7.60 4.06 1.21 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 0.00 0.00 869 N 6.91 4.76 0.00 2.46 2.62 0.00 0.00 6.95 7.53 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 0.00 870 G 7.75 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 0.00 871 K 8.09 4.65 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.47 7.81 872 R 8.55 4.34 0.00 1.73 1.90 0.00 3.16 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 873 I 7.36 4.20 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.70 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.