NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.2698 8.1744 115.2426 61.7322 68.5958 171.7836 9 K 4.4465 8.1704 119.5999 52.0617 34.8645 175.3532 10 P 4.1925 0.0000 0.0000 66.3031 32.1882 178.0636 11 Q 4.1896 8.0694 112.8283 56.3473 28.0053 177.2705 12 C 4.9116 7.8603 115.4293 56.9285 42.0917 174.3073 13 R 4.2839 8.1604 121.0270 54.7307 30.3991 175.4322 *16 P 4.7058 0.0000 0.0000 62.7647 33.3070 178.3017 17 E 3.9410 8.2634 118.2727 59.3886 29.3852 177.9229 18 D 4.4583 8.1475 116.2149 55.4782 41.5609 176.4106 19 Y 4.5775 8.4395 115.3647 58.1686 38.7023 177.0657 20 A 4.0515 7.6778 122.2777 55.6714 18.5489 180.0952 21 T 3.8735 7.8176 113.7072 66.8382 68.6224 177.1928 22 R 4.2835 7.9509 119.5787 59.0744 30.2451 178.8348 23 L 4.0298 8.1190 119.0297 57.8017 41.5026 179.3786 24 Q 3.9867 8.2286 119.5698 59.0450 29.0096 177.6866 25 D 4.3780 8.5719 120.3578 57.4685 40.8638 178.5903 26 L 4.0240 7.9776 119.2129 58.3121 41.8183 180.1264 27 R 4.0928 8.0088 117.2939 59.0920 29.6767 179.6119 28 V 3.7774 7.9007 112.1705 64.5713 31.6192 178.3713 29 T 4.0575 8.4855 115.9866 66.5609 68.1350 176.5229 30 F 4.1562 8.7470 123.0897 61.5332 39.1758 176.6218 31 H 4.0560 8.0731 116.6126 59.3059 29.6753 177.1902 32 R 4.0075 7.6315 119.0760 58.0607 30.2189 178.2876 33 V 4.1003 7.1145 115.9975 61.0152 31.9733 177.0836 34 K 3.1189 7.1775 122.3167 59.3166 31.7156 176.7686 35 P 4.2445 0.0000 0.0000 66.0630 31.1131 178.2846 36 T 3.9803 7.5595 114.4219 66.5629 68.7028 176.4039 37 L 3.9138 7.4523 119.6972 56.9469 41.4622 178.6180 38 Q 5.1967 7.8031 118.6023 55.6821 29.4572 177.7120 *40 R 4.4160 7.9368 117.7853 56.0634 31.8687 176.5226 41 E 3.5108 8.0690 118.6116 58.2181 30.1610 178.1432 42 D 4.0624 7.8874 118.9829 55.3159 37.7269 173.6390 43 D 4.3957 7.9712 124.7392 52.9525 40.4979 175.4772 44 Y 4.8126 7.6487 115.3951 58.2769 38.4079 176.2391 45 S 4.6861 7.8104 113.4712 57.1788 64.9357 173.2392 46 V 4.4390 8.1810 120.2353 61.0759 33.1156 174.2095 47 W 4.7594 8.8299 135.0000 59.3180 31.5396 177.2696 48 L 4.1735 7.7023 123.5490 53.3154 39.8699 177.4410 49 D 4.6535 7.9430 122.6829 52.7997 41.0268 177.5137 50 G 3.9870 8.6297 110.0652 46.5279 0.0000 174.1721 51 T 4.5508 7.8384 109.9872 61.6971 70.9508 177.7988 52 V 3.1778 7.4084 121.8840 64.4663 32.7040 177.6281 *56 V 4.3588 7.6430 117.5072 61.9350 32.6548 174.5727 57 K 4.5766 9.8545 118.0249 55.7943 34.0298 176.8070 58 G 4.0868 8.3971 104.0626 45.5382 0.0000 174.2168 59 C 3.6100 8.5789 116.4729 62.5344 28.1463 175.6849 60 W 4.7083 8.0660 116.7660 56.5387 29.1115 178.0384 61 G 4.2225 8.5059 110.7976 47.4596 0.0000 173.4362 62 C 4.0608 8.3515 116.0340 58.8219 37.0717 176.1255 63 S 4.2069 8.4915 115.4987 61.1602 61.9744 176.3226 64 V 3.8005 7.8043 120.5547 65.9631 31.3467 177.5048 65 M 4.0717 8.9782 119.2533 58.5380 32.0038 177.8076 66 D 4.4440 8.1676 117.7489 57.0863 41.4289 177.5773 67 W 4.2282 8.1965 128.8638 60.7304 30.6344 177.4937 68 L 3.7864 8.4810 118.7641 58.1193 41.1824 179.5542 69 L 4.0008 7.9437 118.4672 58.0790 41.5076 180.0634 70 R 3.6199 7.9727 117.9854 58.9671 29.8965 178.9075 71 R 3.5533 7.7485 118.8362 59.4099 29.8358 178.3091 72 Y 3.9697 8.0752 116.3680 61.1468 37.8238 178.0784 73 L 4.1115 7.9941 118.5063 57.5210 41.7523 178.7186 74 E 4.3714 8.4609 117.3441 57.3229 30.2220 176.6585 75 I 4.3025 7.8117 116.9118 62.6959 39.2617 177.5717 76 V 3.4280 7.5439 118.0084 66.2937 31.0440 177.8200 77 F 4.1651 8.2467 116.4920 60.2651 39.2136 175.6212 78 P 4.4912 0.0000 0.0000 65.7550 31.1057 178.5879 79 A 4.1085 8.5628 119.8412 54.8676 18.2061 179.8625 80 G 3.7490 8.3414 104.7461 48.1001 0.0000 175.6187 81 D 4.5665 7.9990 119.8403 57.3491 40.8181 178.0666 82 H 4.4751 8.0120 116.1035 58.2343 29.1167 177.7059 83 V 3.6904 7.7033 119.4696 63.2702 33.0031 175.9308 84 Y 4.8615 7.9120 116.6498 54.9264 38.0185 173.9899 85 P 4.4343 0.0000 0.0000 65.5283 31.9942 179.1256 86 G 3.6968 8.1845 107.2748 48.3157 0.0000 174.6406 87 L 4.6614 7.8189 119.5755 53.7935 41.4934 178.4644 88 K 3.8240 8.1154 121.4192 60.1538 31.9131 178.8358 89 T 3.8022 7.7867 114.8818 66.7802 68.1122 176.2619 90 E 4.0031 8.1757 119.8218 59.4132 29.4664 179.2712 91 L 4.2924 8.5267 119.1494 58.3972 41.7219 179.3318 92 H 4.1615 8.4756 116.2560 58.8451 28.6323 177.6878 93 S 4.0689 8.1939 114.8790 61.7268 62.2118 176.2891 94 M 3.9931 7.9215 121.0950 58.3420 31.7832 178.5590 95 R 2.9507 7.2013 118.8047 59.0904 30.0073 178.2178 96 S 3.9779 8.0907 113.0591 61.9761 62.3964 176.4654 97 T 3.8676 7.9069 118.2098 66.4544 68.1065 176.6159 98 L 3.9874 8.4541 122.7553 57.8448 42.0813 178.6249 99 E 3.9406 8.6035 119.7820 59.2978 29.1975 178.4966 100 S 4.1389 8.1720 113.2971 61.6773 62.3412 176.3140 101 I 3.9585 7.9727 122.1917 64.5728 36.9193 177.7038 102 Y 4.1682 8.2850 120.3925 60.8839 38.4253 178.3433 103 K 3.9024 8.0646 117.9065 59.6402 32.0329 178.6983 104 D 4.5609 7.9961 118.5424 57.2878 40.6877 178.7421 105 M 4.1065 8.2729 119.4484 58.2351 32.1280 177.6428 106 R 4.4366 7.5468 116.0827 56.3355 29.8981 176.6726 107 Q 4.4094 7.6486 117.1983 55.6159 30.3600 174.2587 108 C 4.8853 7.8757 117.5128 54.7381 46.1190 172.1435 109 P 4.1846 0.0000 0.0000 65.7017 31.0387 178.6845 110 L 3.9979 7.9142 117.5031 57.6852 42.0300 177.7440 111 L 4.1997 7.7683 117.4896 56.0788 42.6209 177.0633 112 G 4.0555 7.6458 109.2750 44.4578 0.0000 171.8936 *114 C 5.0064 7.8969 115.6069 57.1232 41.5971 174.7594 *116 G 3.7835 8.3791 110.4350 45.1150 0.0000 174.6849 117 D 4.3863 8.2240 119.8512 56.8281 38.5248 178.8149 118 K 3.9137 8.3214 119.3146 59.2300 31.8256 179.2292 119 S 4.1738 8.2681 115.5853 61.3202 62.8950 176.6789 120 V 3.5578 7.6772 120.3236 66.2295 31.3912 177.7899 121 I 3.6854 7.8082 119.4762 64.4314 36.7570 178.4288 122 S 4.0256 7.6875 112.8069 61.5141 61.9845 176.2403 123 R 3.9251 8.2006 121.5157 59.1973 29.7471 178.5776 124 L 4.0065 8.1098 119.0170 57.9358 41.5350 179.4465 125 S 4.1813 7.8248 111.2500 61.1196 62.4154 175.8220 126 Q 4.1582 7.9088 121.0310 58.6299 28.4680 178.2351 127 E 3.9113 7.8803 118.1233 59.3502 29.4840 178.9357 128 A 4.2113 7.7289 117.6365 53.7117 18.4613 177.9519 129 E 4.6129 7.7615 115.0880 55.5609 31.4735 177.1348 130 R 4.3791 7.5711 115.0331 55.2059 30.5609 176.4032 131 K 4.3107 7.2816 119.9376 55.8514 32.9818 177.9711 132 S 4.3358 8.6668 116.8958 60.2775 62.7389 174.3699 133 D 4.7939 7.6118 120.0412 52.8080 39.7135 175.9084 134 N 4.2151 8.9289 113.9891 54.6007 36.5679 174.5700 135 G 3.9162 8.3077 105.1527 47.4371 0.0000 176.9996 136 T 3.9093 7.7535 118.3564 65.9777 68.3755 176.5855 137 R 3.8385 8.6934 121.1209 59.4925 30.3041 178.6301 138 K 4.0817 8.0720 119.0033 59.1339 31.9782 178.8889 139 G 3.5457 7.6253 105.3119 47.8990 0.0000 175.5859 140 L 4.1336 7.9995 121.6585 56.9963 41.3846 179.4323 141 S 4.2185 7.9364 112.5443 60.2176 62.5077 174.9068 142 E 4.7281 7.4167 120.8401 55.3703 29.6483 177.5444 143 L 3.6460 7.3570 122.4122 57.6533 41.0809 179.2642 144 D 4.2164 7.6704 118.5307 56.7470 39.3866 178.6682 145 T 3.8511 7.6224 117.0057 65.9205 68.4495 175.9899 146 L 3.8608 8.0812 122.5516 58.4770 42.1555 179.1964 147 F 4.5666 7.7087 117.1668 60.4113 38.6718 177.9216 148 S 4.2638 7.7386 114.2077 61.3835 62.8245 176.5513 149 R 3.9528 8.1558 120.8819 59.2154 29.7740 178.8172 150 L 4.0165 8.3224 120.2684 58.2565 42.0475 178.6640 151 E 3.9398 8.2100 119.0331 59.1954 29.3785 178.1069 152 E 3.9873 8.7178 118.6934 59.5449 29.9297 177.8452 153 Y 4.1976 8.5835 119.6192 61.0019 38.7030 178.0014 154 L 3.9912 8.0633 118.5498 58.2637 41.8087 178.8686 155 H 4.5346 7.8053 114.1924 57.4274 28.9552 177.3231 156 S 4.2873 8.1531 116.2520 60.0266 62.9651 174.3014 157 R 4.1232 7.4951 123.0166 56.1381 29.4293 174.9568 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 T 8.17 4.27 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 9 K 8.17 4.45 0.00 1.86 1.60 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.48 7.81 10 P 0.00 4.19 0.00 2.20 2.26 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 11 Q 8.07 4.19 0.00 2.07 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 12 C 7.86 4.91 0.00 3.29 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 13 R 8.16 4.28 0.00 1.95 2.10 0.00 3.15 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 *16 P 0.00 4.71 0.00 2.31 2.40 0.00 3.80 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 17 E 8.26 3.94 0.00 2.09 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 2.41 2.39 0.00 18 D 8.15 4.46 0.00 2.62 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 19 Y 8.44 4.58 0.00 3.15 2.95 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 20 A 7.68 4.05 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 21 T 7.82 3.87 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 1.21 0.00 0.00 22 R 7.95 4.28 0.00 1.97 2.02 0.00 3.16 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 23 L 8.12 4.03 0.00 2.00 1.74 0.97 0.47 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 24 Q 8.23 3.99 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 25 D 8.57 4.38 0.00 2.82 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 26 L 7.98 4.02 0.00 1.87 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.01 4.09 0.00 2.14 2.04 0.00 3.29 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 28 V 7.90 3.78 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 0.80 0.00 0.00 1.05 0.00 0.00 29 T 8.49 4.06 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 1.30 0.00 0.00 30 F 8.75 4.16 0.00 3.26 3.30 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 31 H 8.07 4.06 0.00 3.33 3.54 0.00 6.01 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 32 R 7.63 4.01 0.00 1.90 1.93 0.00 3.18 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 33 V 7.11 4.10 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 0.74 0.00 0.00 0.74 0.00 0.00 34 K 7.18 3.12 0.00 1.49 1.58 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.35 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.48 1.14 7.81 35 P 0.00 4.24 0.00 2.21 2.11 0.00 3.52 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 36 T 7.56 3.98 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 1.17 0.00 0.00 37 L 7.45 3.91 0.00 1.51 1.68 0.92 -0.03 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 38 Q 7.80 5.20 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.38 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 *40 R 7.94 4.42 0.00 2.07 1.99 0.00 3.31 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 41 E 8.07 3.51 0.00 1.91 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 2.25 2.30 0.00 42 D 7.89 4.06 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.40 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.81 0.00 3.06 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 45 S 7.81 4.69 0.00 4.04 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 46 V 8.18 4.44 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 0.90 0.00 0.00 1.01 0.00 0.00 47 W 8.83 4.76 0.00 3.20 3.28 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 48 L 7.70 4.17 0.00 1.69 1.53 0.99 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.94 4.65 0.00 2.78 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 50 G 8.63 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 0.00 0.00 0.00 51 T 7.84 4.55 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 52 V 7.41 3.18 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 0.69 0.00 0.00 0.80 0.00 0.00 *56 V 7.64 4.36 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 1.36 0.00 0.00 0.95 0.00 0.00 57 K 9.85 4.58 0.00 1.91 1.73 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 58 G 8.40 4.09 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 0.00 0.00 0.00 59 C 8.58 3.61 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.07 4.71 0.00 3.43 3.22 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 0.00 61 G 8.51 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 0.00 0.00 0.00 0.00 62 C 8.35 4.06 0.00 3.11 3.36 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 63 S 8.49 4.21 0.00 4.41 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 0.00 64 V 7.80 3.80 2.29 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 1.16 0.00 0.00 0.95 0.00 0.00 65 M 8.98 4.07 0.00 2.28 2.15 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 2.64 2.60 0.00 66 D 8.17 4.44 0.00 3.00 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 67 W 8.20 4.23 0.00 3.61 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 68 L 8.48 3.79 0.00 2.01 1.83 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.94 4.00 0.00 1.72 1.52 1.10 1.00 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 70 R 7.97 3.62 0.00 1.88 1.79 0.00 3.30 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.00 71 R 7.75 3.55 0.00 0.77 1.56 0.00 2.87 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.26 0.00 72 Y 8.08 3.97 0.00 3.18 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 73 L 7.99 4.11 0.00 1.51 1.81 0.80 0.87 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 74 E 8.46 4.37 0.00 1.92 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 2.31 2.42 0.00 75 I 7.81 4.30 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.84 0.00 0.00 76 V 7.54 3.43 1.88 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 0.93 0.00 0.00 0.41 0.00 0.00 77 F 8.25 4.17 0.00 3.34 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 78 P 0.00 4.49 0.00 2.18 2.14 0.00 3.75 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 79 A 8.56 4.11 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 80 G 8.34 3.75 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 0.00 0.00 0.00 81 D 8.00 4.57 0.00 2.98 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 82 H 8.01 4.48 0.00 3.15 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.70 3.69 1.87 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 0.84 0.00 0.00 0.12 0.00 0.00 84 Y 7.91 4.86 0.00 3.11 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 4.43 0.00 2.18 2.20 0.00 3.79 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 2.01 1.98 0.00 86 G 8.18 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 0.00 0.00 0.00 87 L 7.82 4.66 0.00 1.69 1.66 0.56 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.12 3.82 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.30 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.59 7.81 89 T 7.79 3.80 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 1.21 0.00 0.00 90 E 8.18 4.00 0.00 2.21 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 0.00 2.39 2.48 0.00 91 L 8.53 4.29 0.00 1.98 2.01 1.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.48 4.16 0.00 3.30 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.19 4.07 0.00 3.90 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 94 M 7.92 3.99 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.66 0.00 95 R 7.20 2.95 0.00 0.91 1.71 0.00 3.07 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 96 S 8.09 3.98 0.00 4.00 4.01 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 97 T 7.91 3.87 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 1.25 0.00 0.00 98 L 8.45 3.99 0.00 1.78 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.60 3.94 0.00 2.25 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 0.00 2.31 2.41 0.00 100 S 8.17 4.14 0.00 3.93 4.09 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 0.00 101 I 7.97 3.96 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.75 0.97 0.00 0.00 102 Y 8.28 4.17 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 103 K 8.06 3.90 0.00 1.82 1.88 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.74 7.81 104 D 8.00 4.56 0.00 3.09 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 0.00 105 M 8.27 4.11 0.00 1.97 2.12 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 2.62 2.10 0.00 106 R 7.55 4.44 0.00 1.55 1.77 0.00 2.39 0.00 0.00 2.80 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.00 107 Q 7.65 4.41 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 108 C 7.88 4.89 0.00 3.08 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 0.00 109 P 0.00 4.18 0.00 2.21 2.09 0.00 3.66 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 2.11 2.09 0.00 110 L 7.91 4.00 0.00 1.57 1.70 0.90 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 0.00 111 L 7.77 4.20 0.00 1.97 1.64 0.94 0.88 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 0.00 112 G 7.65 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 0.00 0.00 0.00 *114 C 7.90 5.01 0.00 3.15 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 *116 G 8.38 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 0.00 117 D 8.22 4.39 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 118 K 8.32 3.91 0.00 1.85 1.96 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.60 1.64 7.81 119 S 8.27 4.17 0.00 3.95 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 0.00 120 V 7.68 3.56 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 1.08 0.00 0.00 0.93 0.00 0.00 121 I 7.81 3.69 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.46 0.92 0.00 0.00 122 S 7.69 4.03 0.00 4.13 4.01 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 0.00 123 R 8.20 3.93 0.00 1.91 2.02 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 124 L 8.11 4.01 0.00 1.87 1.69 0.91 0.53 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 0.00 125 S 7.82 4.18 0.00 3.88 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 0.00 126 Q 7.91 4.16 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 127 E 7.88 3.91 0.00 2.05 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 2.32 2.46 0.00 128 A 7.73 4.21 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 0.00 129 E 7.76 4.61 0.00 2.15 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 2.22 2.31 0.00 130 R 7.57 4.38 0.00 1.97 2.09 0.00 3.05 0.00 0.00 3.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 131 K 7.28 4.31 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.77 1.36 7.81 132 S 8.67 4.34 0.00 3.97 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 0.00 133 D 7.61 4.79 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.93 4.22 0.00 2.91 3.11 0.00 0.00 6.87 6.95 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 0.00 135 G 8.31 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 0.00 0.00 0.00 136 T 7.75 3.91 4.37 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 1.21 0.00 0.00 137 R 8.69 3.84 0.00 2.07 1.91 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 138 K 8.07 4.08 0.00 1.89 1.77 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.54 7.81 139 G 7.63 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 0.00 140 L 8.00 4.13 0.00 1.70 1.72 0.92 0.56 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 0.00 141 S 7.94 4.22 0.00 3.86 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 0.00 142 E 7.42 4.73 0.00 1.98 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 2.19 2.32 0.00 143 L 7.36 3.65 0.00 1.51 1.12 0.98 0.86 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 0.00 144 D 7.67 4.22 0.00 2.88 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 0.00 145 T 7.62 3.85 4.29 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 1.18 0.00 0.00 146 L 8.08 3.86 0.00 1.54 1.45 0.90 1.02 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 0.00 147 F 7.71 4.57 0.00 3.26 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 0.00 148 S 7.74 4.26 0.00 4.11 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 0.00 149 R 8.16 3.95 0.00 1.99 2.02 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 150 L 8.32 4.02 0.00 1.82 1.85 1.01 0.86 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 0.00 151 E 8.21 3.94 0.00 2.17 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 2.41 2.38 0.00 152 E 8.72 3.99 0.00 2.08 2.34 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 2.39 2.38 0.00 153 Y 8.58 4.20 0.00 3.19 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 0.00 154 L 8.06 3.99 0.00 1.71 1.69 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 155 H 7.81 4.53 0.00 3.23 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.15 4.29 0.00 3.91 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 0.00 157 R 7.50 4.12 0.00 1.81 1.76 0.00 2.67 0.00 0.00 2.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.36 0.00 * Residues marked with a * may have inaccurate shift predictions.