NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2987 8.2644 123.5823 51.4537 20.6504 177.6104 2 K 3.8726 8.0381 118.5927 58.2318 32.7034 176.2119 3 Q 4.2042 8.0183 118.2977 56.3147 31.9401 178.7194 4 S 3.5457 7.9388 108.1579 58.6722 64.4547 171.4699 5 M 4.3233 8.2020 121.0149 54.8129 34.3326 177.1112 6 K 3.7740 7.9174 119.8987 60.4002 32.1711 177.7629 7 A 4.0010 8.1399 120.0223 55.4390 17.9487 179.2069 8 R 4.1787 8.0235 114.3687 57.9354 30.5995 178.7245 9 E 4.0658 8.2095 118.8194 59.3885 29.6063 178.9374 10 V 3.5225 7.6369 118.1155 66.2425 31.5417 178.3469 11 K 4.0203 7.9352 116.6013 58.5928 32.0152 177.7215 12 R 4.8750 7.7043 111.9576 55.0757 31.1382 177.2235 13 V 3.5856 8.2087 119.1365 64.7824 31.2566 177.1138 14 A 4.3264 7.9698 120.4940 52.7698 19.1490 177.3335 15 L 4.6625 7.8252 114.7402 53.9125 42.6951 177.9255 16 A 4.2513 8.4254 123.7920 55.7849 17.8973 179.9190 17 D 4.3854 8.1946 116.7767 56.4237 39.1071 178.5557 18 K 3.9502 7.5883 118.0517 58.4954 32.4849 178.1591 19 Y 4.5035 7.6600 116.7075 60.3702 38.0735 175.4712 20 F 4.7966 8.6619 120.6597 59.5687 46.5970 175.5393 21 A 4.2832 8.1300 119.5513 53.1145 18.6038 177.6935 22 K 4.3234 8.2168 115.4378 57.0562 34.8562 178.3241 23 R 3.7258 8.1818 117.6480 59.3717 30.0886 177.2117 24 A 3.8210 7.5553 120.2136 54.9569 18.2637 178.8846 25 E 3.9934 7.7868 112.4827 57.8742 29.3775 176.7051 26 L 4.5580 8.0307 120.5766 56.3458 45.3018 178.5169 27 K 3.8744 8.0176 115.9959 59.2419 32.7424 177.4788 28 A 4.4006 7.7262 120.5444 52.7409 19.8194 178.7876 29 I 3.8473 7.4048 116.2417 63.5324 37.9928 178.5045 30 I 3.7662 7.5011 113.6458 63.6835 37.5689 177.3345 31 S 4.5558 7.3613 112.5136 59.0686 62.2898 173.3906 32 D 4.6882 7.6392 118.2120 54.4414 41.6212 177.3878 33 V 3.7449 8.2119 115.7470 64.0391 31.6418 177.7657 34 N 4.3246 8.9870 120.1430 56.5108 38.4249 176.9480 *39 D 4.7393 7.8154 114.3300 52.1538 41.9616 181.6006 40 R 4.2643 8.4596 115.8200 56.8830 28.9215 176.9932 41 W 4.3348 8.1684 117.5404 56.5035 27.1834 176.1541 42 N 4.1111 8.5297 121.8844 55.4877 38.8307 175.7986 43 A 4.3051 8.0142 119.0423 53.6608 19.0752 178.8967 44 V 3.9020 7.5415 115.6081 65.3439 31.5660 177.8112 45 L 3.9150 7.8990 119.9690 57.8243 41.9244 178.5206 46 K 4.0192 8.0637 115.3551 58.6340 32.5073 177.1696 47 L 4.6933 7.4323 117.8598 54.8369 43.0683 176.4907 48 Q 4.5878 8.3096 117.4204 56.4542 30.2838 176.9098 49 T 4.0545 7.8989 106.6574 63.2092 69.4369 175.2029 50 L 4.0817 8.1081 122.9569 57.5767 41.8648 177.2352 51 P 4.1433 0.0000 0.0000 64.1069 32.4539 181.3105 52 R 3.1115 7.9858 114.3159 57.1243 31.9481 176.5023 53 D 4.3887 8.9052 122.7908 56.4488 42.0977 176.2152 54 S 4.5172 7.6861 113.0702 57.6830 63.1421 174.1283 55 S 4.2141 7.7068 117.1407 57.9443 61.5027 171.9854 56 P 4.4229 0.0000 0.0000 62.8349 31.7871 175.9229 57 S 4.6777 8.1634 116.7894 57.2674 64.3599 174.3577 58 R 4.1813 8.0666 117.5547 55.6868 30.8837 174.4344 59 Q 4.3835 8.4520 124.7677 54.2037 30.4621 174.0640 60 R 3.7772 8.7241 127.3452 57.2933 30.2516 177.2993 61 N 4.0699 7.8553 115.5510 52.2861 38.0895 173.5216 62 R 4.4595 7.9031 118.0208 55.2609 31.3342 174.2499 63 C 4.4155 8.9247 121.0464 58.5823 29.7392 173.9991 64 R 3.9776 7.6852 119.1572 57.8582 29.9426 176.5820 65 Q 4.1231 7.9613 119.0019 58.4943 29.4768 176.7473 66 T 4.4753 7.3423 114.4139 62.1088 69.6824 175.1117 67 G 3.9040 8.6156 113.8687 46.5775 0.0000 173.7446 68 R 5.0974 7.7078 114.5647 53.2943 32.5258 174.1264 69 P 4.6032 0.0000 0.0000 62.6313 30.3214 175.7889 70 H 4.4553 8.0769 132.0635 56.3955 29.7570 174.8216 71 G 4.2534 9.1550 107.9370 45.2641 0.0000 172.3075 72 F 4.4411 8.2189 120.5569 57.0260 40.7428 174.6700 73 L 4.3883 8.6770 130.6963 54.2091 39.2308 178.2989 74 R 4.3977 8.4772 120.0015 57.6163 30.4156 177.6448 75 K 4.0587 7.8374 118.6269 57.3824 32.6318 176.9481 76 F 4.8794 7.9963 114.6087 56.4271 41.2491 175.7643 77 G 3.7361 10.1698 108.5292 44.8868 0.0000 172.6703 78 L 4.5179 6.9136 117.5388 53.6190 43.9802 174.7476 79 S 4.5143 8.4650 114.7038 58.2419 64.1085 174.7776 80 R 4.3419 8.4936 120.9383 57.8027 29.4507 176.7287 81 I 4.3617 7.5842 109.3834 61.1703 39.1830 177.0425 82 K 4.0448 8.2879 122.5214 58.8175 31.8332 178.4931 83 V 3.4386 7.8644 118.4821 66.2605 31.0162 177.7270 84 R 3.7978 7.8575 117.0995 59.5555 30.3892 177.6811 85 E 4.0485 7.9205 115.3776 58.6807 29.4933 178.7253 86 A 3.8822 8.1493 122.5125 55.1849 18.2675 179.1714 87 A 4.0039 7.9705 116.9158 54.5294 18.3760 177.7680 88 M 4.7204 7.6161 114.5080 54.7305 33.2385 176.3740 89 R 4.5477 7.7452 111.8149 56.1522 33.7864 174.1975 90 G 3.3778 7.6837 109.3610 45.2531 0.0000 174.7111 91 E 4.0199 7.9647 120.3276 58.1871 29.7991 176.6300 92 I 4.4126 7.3640 119.0513 58.3769 38.1796 174.0240 93 P 4.2664 0.0000 0.0000 65.0816 31.4763 177.8832 94 G 3.8604 8.0686 105.8689 45.8975 0.0000 174.2680 95 L 4.2660 7.1512 124.1116 53.3215 40.3879 175.8487 96 K 4.0980 7.5596 122.4187 54.4074 34.2842 174.5486 97 K 3.5448 8.5272 120.4440 56.2609 31.9084 176.2907 98 A 3.6119 8.1706 129.4638 52.3261 18.4825 178.0354 99 S 4.3144 8.1183 113.7118 59.1541 63.8431 174.4649 100 W 4.5381 7.1169 122.7193 56.6125 28.0618 175.8180 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 1 A 8.26 4.30 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 2 K 8.04 3.87 0.00 1.89 1.82 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.50 7.81 3 Q 8.02 4.20 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.63 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 4 S 7.94 3.55 0.00 4.10 3.74 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 5 M 8.20 4.32 0.00 2.05 2.06 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 2.57 2.49 0.00 6 K 7.92 3.77 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 7 A 8.14 4.00 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 8 R 8.02 4.18 0.00 1.77 1.97 0.00 3.15 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 9 E 8.21 4.07 0.00 1.97 1.97 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 2.38 2.28 0.00 10 V 7.64 3.52 2.33 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 1.04 0.00 0.00 1.00 0.00 0.00 11 K 7.94 4.02 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.62 7.81 12 R 7.70 4.87 0.00 2.15 2.12 0.00 2.83 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.00 13 V 8.21 3.59 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 0.76 0.00 0.00 0.94 0.00 0.00 14 A 7.97 4.33 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 15 L 7.83 4.66 0.00 1.33 1.18 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.43 4.25 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 17 D 8.19 4.39 0.00 2.87 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 18 K 7.59 3.95 0.00 1.44 1.66 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.37 7.81 19 Y 7.66 4.50 0.00 2.98 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 20 F 8.66 4.80 0.00 3.08 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 21 A 8.13 4.28 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 22 K 8.22 4.32 0.00 1.83 1.71 0.00 1.82 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.27 7.81 23 R 8.18 3.73 0.00 1.80 1.89 0.00 3.39 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 24 A 7.56 3.82 0.38 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 25 E 7.79 3.99 0.00 1.98 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 2.34 2.32 0.00 26 L 8.03 4.56 0.00 1.60 1.46 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.02 3.87 0.00 1.81 1.84 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 28 A 7.73 4.40 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 29 I 7.40 3.85 1.81 0.00 0.00 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 1.34 1.11 0.89 0.00 0.00 30 I 7.50 3.77 0.90 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.31 0.56 0.00 0.00 31 S 7.36 4.56 0.00 4.00 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 32 D 7.64 4.69 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.21 3.74 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 0.78 0.00 0.00 0.95 0.00 0.00 34 N 8.99 4.32 0.00 2.84 2.90 0.00 0.00 6.91 8.53 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 *39 D 7.82 4.74 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 40 R 8.46 4.26 0.00 1.97 2.27 0.00 3.32 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 41 W 8.17 4.33 0.00 3.44 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 42 N 8.53 4.11 0.00 2.69 2.86 0.00 0.00 7.21 7.96 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 43 A 8.01 4.31 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 44 V 7.54 3.90 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 1.04 0.00 0.00 1.14 0.00 0.00 45 L 7.90 3.91 0.00 1.80 1.68 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.06 4.02 0.00 1.96 1.96 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.58 7.81 47 L 7.43 4.69 0.00 1.63 1.73 0.95 0.85 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 48 Q 8.31 4.59 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 49 T 7.90 4.05 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 50 L 8.11 4.08 0.00 1.79 1.79 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.14 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 52 R 7.99 3.11 0.00 2.04 1.77 0.00 3.23 0.00 0.00 3.05 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 53 D 8.91 4.39 0.00 2.59 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 54 S 7.69 4.52 0.00 3.55 3.46 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 55 S 7.71 4.21 0.00 3.80 3.79 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 56 P 0.00 4.42 0.00 2.28 2.12 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 57 S 8.16 4.68 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 58 R 8.07 4.18 0.00 1.83 1.84 0.00 3.04 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 59 Q 8.45 4.38 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.13 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 60 R 8.72 3.78 0.00 1.94 1.93 0.00 3.47 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 61 N 7.86 4.07 0.00 2.67 2.41 0.00 0.00 6.68 7.33 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 62 R 7.90 4.46 0.00 1.71 1.80 0.00 3.27 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 63 C 8.92 4.42 0.00 3.24 3.40 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 64 R 7.69 3.98 0.00 2.01 1.95 0.00 3.29 0.00 0.00 3.32 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 65 Q 7.96 4.12 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 66 T 7.34 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 1.27 0.00 0.00 67 G 8.62 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 0.00 0.00 0.00 68 R 7.71 5.10 0.00 1.89 1.87 0.00 2.66 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 69 P 0.00 4.60 0.00 2.25 2.17 0.00 3.88 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 2.00 2.06 0.00 70 H 8.08 4.46 0.00 3.21 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.16 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 0.00 0.00 0.00 0.00 72 F 8.22 4.44 0.00 2.96 2.87 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 73 L 8.68 4.39 0.00 1.82 1.78 1.02 0.73 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 74 R 8.48 4.40 0.00 1.88 2.09 0.00 3.24 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.02 0.00 75 K 7.84 4.06 0.00 1.45 1.23 0.00 1.38 0.00 0.00 0.85 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.47 1.08 7.81 76 F 8.00 4.88 0.00 2.95 2.86 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 77 G 10.17 3.74 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 0.00 0.00 0.00 78 L 6.91 4.52 0.00 1.63 1.62 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.47 4.51 0.00 3.93 4.03 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 0.00 0.00 0.00 0.00 80 R 8.49 4.34 0.00 1.89 2.20 0.00 3.25 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 81 I 7.58 4.36 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.63 0.00 0.00 82 K 8.29 4.04 0.00 1.92 1.77 0.00 1.53 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.56 7.81 83 V 7.86 3.44 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 0.92 0.00 0.00 0.84 0.00 0.00 84 R 7.86 3.80 0.00 1.79 1.93 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 85 E 7.92 4.05 0.00 2.24 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 2.40 2.28 0.00 86 A 8.15 3.88 1.25 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 0.00 0.00 0.00 87 A 7.97 4.00 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 88 M 7.62 4.72 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 89 R 7.75 4.55 0.00 1.85 1.95 0.00 3.01 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 90 G 7.68 3.38 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 0.00 91 E 7.96 4.02 0.00 1.92 2.00 0.00 0.00 0.00 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 2.25 0.00 92 I 7.36 4.41 1.66 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.87 0.69 0.00 0.00 93 P 0.00 4.27 0.00 2.19 2.19 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 94 G 8.07 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 95 L 7.15 4.27 0.00 1.44 1.63 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.56 4.10 0.00 1.71 1.66 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.37 7.81 97 K 8.53 3.54 0.00 1.64 1.71 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.43 7.81 98 A 8.17 3.61 0.02 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 0.00 0.00 99 S 8.12 4.31 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.12 4.54 0.00 3.48 3.24 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 * Residues marked with a * may have inaccurate shift predictions.