NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5937 8.2833 118.1263 52.3354 39.0077 174.8491 2 T 3.5579 7.6803 115.3973 66.8734 68.0999 175.0157 3 Y 4.0956 7.9051 119.3259 61.1721 38.2977 178.4813 4 Q 4.0155 8.5287 119.1315 58.8930 28.8325 178.3954 5 F 4.4070 8.1392 121.7245 61.3899 39.4575 177.0370 6 R 3.4287 7.9394 118.3540 59.3081 29.6223 178.3396 7 N 4.3808 7.8395 116.2616 56.5173 38.5304 177.1314 8 M 4.1584 8.1309 120.1206 58.5596 32.0720 178.8730 9 I 3.5967 7.4987 119.5067 64.6619 37.1331 178.6452 10 Q 4.3743 7.8068 116.8690 58.7628 28.3840 178.0085 11 C 4.4511 8.4791 120.5594 60.0162 43.6268 175.6883 12 T 4.0064 8.2046 110.3659 63.1226 68.9065 174.8597 13 V 4.5022 8.2195 121.4269 60.2519 31.3629 173.7502 14 P 4.5845 0.0000 0.0000 65.0357 31.9442 177.9491 15 S 4.2602 7.5957 108.2741 59.0423 62.7406 173.7646 *17 R 4.2968 7.5606 118.1716 56.3500 31.1557 175.0595 18 S 4.4964 8.1213 115.4386 57.3720 63.3945 175.1505 19 W 4.8096 8.9562 124.3328 58.9678 27.7050 178.2802 20 W 3.3753 7.4566 119.7061 59.0857 28.1849 177.5428 21 D 4.2989 8.2055 118.2108 55.8182 40.1076 176.7944 22 F 4.9090 7.6731 116.0389 57.1362 39.8796 175.7303 23 A 4.5025 8.2879 123.6379 53.4260 19.6187 178.0399 24 D 4.7536 7.7911 114.5330 53.5028 42.0990 173.7678 25 Y 4.7712 8.0863 122.0837 56.6684 41.9152 176.1606 26 G 3.9410 8.3760 116.6741 46.5680 0.0000 172.3940 27 C 4.4220 9.1746 114.8468 57.8302 37.5965 174.7272 28 Y 4.3614 8.9289 116.5544 58.4062 39.5173 174.7006 29 C 4.8836 8.0856 117.4792 58.6340 38.6520 172.6112 30 G 3.1400 8.8253 113.1406 45.4856 0.0000 172.5184 *32 C 4.6934 7.3062 117.3086 56.4845 41.1206 173.1144 33 G 4.2322 8.2966 114.7377 45.4696 0.0000 173.9335 34 S 4.8372 7.9953 116.1817 58.5932 65.5482 172.0330 35 G 3.6350 8.6401 105.0405 44.4081 0.0000 172.9444 36 T 4.2987 8.3691 117.7012 61.8311 68.4753 173.0809 37 P 4.6033 0.0000 0.0000 63.3189 31.7438 177.0854 38 V 3.7182 8.9250 122.4855 65.1301 32.0285 174.6556 39 D 4.4503 7.6303 117.1667 51.8233 41.6485 176.1718 40 D 4.4006 8.5383 118.2899 57.8181 40.4732 178.8628 41 L 3.9497 7.9512 119.9839 58.2245 42.0282 178.3474 42 D 4.4973 8.8899 118.2455 57.5345 41.1338 178.4434 43 R 3.8491 8.2918 118.6160 59.1654 30.0785 178.2629 44 C 4.2830 8.1719 116.5271 60.5608 41.4560 175.7148 45 C 4.3990 8.1248 117.8202 59.7915 33.8926 175.9916 46 Q 3.3541 8.0121 121.4972 59.0665 28.5964 178.5957 47 V 3.5678 7.9873 119.4589 65.8942 31.4803 177.5847 48 H 3.9824 8.0019 118.0822 59.2489 29.7007 176.6324 49 C 4.1617 8.2354 118.3647 60.0872 34.2993 175.6684 50 N 4.1510 7.9779 118.1144 56.6408 38.5065 176.1242 51 C 4.2748 7.9957 120.1095 59.8678 39.7601 175.1992 52 Y 4.0292 8.0604 118.3849 61.0894 37.1644 178.6199 53 R 4.0261 7.9958 118.4250 59.2417 30.4084 178.7988 54 Q 4.1236 8.0927 117.3966 58.7568 28.7491 178.3783 55 A 4.1090 8.0052 121.5177 54.9203 18.1460 179.7772 56 G 3.6875 7.8589 103.2167 46.6494 0.0000 174.9598 57 E 4.3771 7.8534 118.9536 56.3945 29.9108 176.5120 58 I 4.0935 7.4461 122.3209 59.4889 37.5113 175.2249 59 S 4.1246 8.6682 120.3617 60.4187 62.5663 174.7941 60 G 3.7205 9.0348 112.7554 45.4415 0.0000 173.1577 61 C 4.4950 8.1302 120.7208 55.0963 41.6165 172.8246 62 R 4.6456 8.0441 128.0209 53.3997 29.0469 175.0099 63 P 3.8106 0.0000 0.0000 65.2503 31.8035 178.8725 64 K 3.6283 8.0242 117.7463 58.0879 32.2876 177.6129 65 F 4.5190 7.3183 114.6655 57.3014 41.1784 175.3548 66 K 3.8504 8.5551 122.2691 56.9258 32.0286 176.0467 67 T 4.1388 8.4031 123.8604 62.9363 69.1886 173.5596 68 Y 4.9151 8.4365 123.7310 55.3479 41.2799 174.4896 69 T 4.9173 9.1275 116.9754 62.2821 70.1857 173.9650 70 Y 5.4043 8.5971 123.2638 55.8605 41.6770 173.5947 71 E 4.3220 9.8836 121.1807 54.4408 33.2048 173.3436 72 C 5.2332 8.7933 126.2740 55.1809 41.9652 173.5361 73 S 4.4570 9.5306 124.5260 56.8729 63.6676 173.0120 74 G 4.2216 9.6283 111.4288 46.4922 0.0000 171.9562 75 G 3.9827 8.2110 108.8834 46.2304 0.0000 171.4560 76 T 4.4697 7.5070 117.5781 62.0476 69.6208 173.4555 77 L 5.3208 8.4052 125.7472 53.2562 44.9486 176.1759 78 T 4.6310 9.5095 119.7594 62.1673 72.6053 172.1795 79 C 5.0425 8.8398 124.1715 55.8057 39.9402 173.7414 80 K 4.3169 9.0100 123.6557 55.6865 32.8575 178.6104 81 G 3.7307 8.9266 112.7127 48.7624 0.0000 175.1545 82 D 4.4412 7.4095 112.5168 54.4200 39.1459 175.8280 83 N 4.7410 8.3257 118.2746 52.4585 39.7171 175.5555 84 N 4.7000 8.4412 120.2665 51.6769 40.2219 175.8130 85 A 3.9742 8.4975 121.2958 55.6763 18.1896 180.2631 86 C 4.1442 8.2172 115.8175 59.9065 44.2886 175.5036 87 A 3.9421 8.7682 122.5973 54.9815 17.9949 179.5181 88 A 3.8591 8.7350 120.1884 55.3102 18.5315 180.1420 89 S 3.9575 8.1017 113.6757 61.6205 62.9229 176.7441 90 S 3.8828 8.0066 115.7941 61.5691 62.0997 175.2386 91 C 2.8691 7.9117 121.1723 59.5497 42.5261 175.3928 92 D 4.0216 7.8251 119.9882 57.1917 40.1893 177.9947 93 C 4.1549 7.7976 117.2091 59.9618 35.7753 175.5461 94 D 3.5534 7.7512 120.1292 57.1935 40.3718 178.9385 95 R 3.7820 7.8068 118.9828 59.6393 30.0544 178.5675 96 L 3.8888 7.8155 118.3491 57.6099 41.4701 179.4632 97 A 3.7585 8.1293 120.8656 54.8595 18.1248 179.5173 98 A 3.3937 8.3160 119.5907 55.1865 18.2016 180.0041 99 I 3.6378 7.6969 117.6478 64.4184 37.4770 177.4318 100 C 4.3843 8.4279 119.7777 59.8821 37.7155 175.5196 101 F 4.3050 8.3877 119.4130 60.8420 38.2753 177.5866 102 A 4.3019 7.8555 119.0526 54.1052 18.2194 178.7583 103 G 3.9755 7.9794 101.6095 43.4821 0.0000 173.0465 104 A 4.8166 7.3456 123.7383 49.1840 21.0817 175.1154 105 P 4.3405 0.0000 0.0000 62.9179 31.9952 175.4303 106 Y 4.2394 8.5096 122.3763 55.9095 39.5093 174.8865 107 N 4.8271 9.0239 128.1166 52.0703 38.8918 174.9917 108 D 4.7741 9.0751 127.2982 57.7458 41.2904 179.3514 109 N 4.3104 8.7981 116.2637 56.4898 38.6455 175.8090 110 N 4.2705 8.3094 113.4729 53.5878 38.4116 173.7801 111 Y 4.3157 7.3356 120.1342 57.5200 40.1496 174.6225 112 N 4.1487 8.3862 124.5267 53.0630 37.8980 173.8196 113 I 3.8820 7.0175 109.4123 59.8749 39.3892 176.0290 114 D 4.3847 8.2616 119.9610 54.0458 41.2242 176.5690 115 L 3.9306 8.2700 128.5986 57.4445 41.5777 179.1069 116 K 3.8275 8.0535 118.0414 59.4818 32.2562 178.0110 117 A 4.2622 7.9699 118.5382 53.5101 18.9331 178.5596 118 R 4.4724 7.9137 114.1194 56.2410 31.3169 176.0296 119 C 4.9022 8.0568 114.1183 56.1745 41.7172 173.5331 120 N 4.5343 8.0257 123.8145 53.6178 38.7603 173.8366 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 N 8.28 4.59 0.00 2.69 2.97 0.00 0.00 6.10 6.34 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 2 T 7.68 3.56 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 0.82 0.00 0.00 3 Y 7.91 4.10 0.00 3.08 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 4 Q 8.53 4.02 0.00 1.68 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 5 F 8.14 4.41 0.00 3.19 3.12 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 0.00 0.00 0.00 6 R 7.94 3.43 0.00 1.26 1.79 0.00 2.35 0.00 0.00 2.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 7 N 7.84 4.38 0.00 3.09 3.02 0.00 0.00 7.00 8.24 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 8 M 8.13 4.16 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.70 0.00 9 I 7.50 3.60 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.05 0.96 0.00 0.00 10 Q 7.81 4.37 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 11 C 8.48 4.45 0.00 3.26 3.23 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 0.00 12 T 8.20 4.01 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 13 V 8.22 4.50 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 1.17 0.00 0.00 1.07 0.00 0.00 14 P 0.00 4.58 0.00 2.11 2.14 0.00 3.77 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 2.06 2.40 0.00 15 S 7.60 4.26 0.00 3.96 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 *17 R 7.56 4.30 0.00 1.90 1.74 0.00 3.14 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 1.20 1.49 0.00 18 S 8.12 4.50 0.00 3.87 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 19 W 8.96 4.81 0.00 3.60 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 20 W 7.46 3.38 0.00 3.12 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 21 D 8.21 4.30 0.00 1.93 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 0.00 0.00 0.00 22 F 7.67 4.91 0.00 3.27 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 23 A 8.29 4.50 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 24 D 7.79 4.75 0.00 2.71 2.18 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 25 Y 8.09 4.77 0.00 3.20 2.70 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 26 G 8.38 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 0.00 0.00 0.00 27 C 9.17 4.42 0.00 2.92 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 28 Y 8.93 4.36 0.00 3.34 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 29 C 8.09 4.88 0.00 3.45 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 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 0.00 0.00 0.00 *32 C 7.31 4.69 0.00 3.05 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 33 G 8.30 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 0.00 0.00 0.00 0.00 34 S 8.00 4.84 0.00 3.87 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 35 G 8.64 3.63 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 0.00 0.00 0.00 36 T 8.37 4.30 4.27 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 0.00 0.00 0.00 1.25 0.00 0.00 37 P 0.00 4.60 0.00 2.08 2.20 0.00 3.86 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 38 V 8.93 3.72 2.18 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 0.79 0.00 0.00 1.00 0.00 0.00 39 D 7.63 4.45 0.00 2.95 2.80 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 40 D 8.54 4.40 0.00 2.75 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 41 L 7.95 3.95 0.00 1.76 1.59 0.56 0.36 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 42 D 8.89 4.50 0.00 3.23 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 43 R 8.29 3.85 0.00 2.11 1.94 0.00 3.19 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 1.63 1.89 0.00 44 C 8.17 4.28 0.00 3.52 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.12 4.40 0.00 3.29 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 3.35 0.00 0.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 1.99 1.43 0.00 47 V 7.99 3.57 2.18 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 0.89 0.00 0.00 0.93 0.00 0.00 48 H 8.00 3.98 0.00 3.26 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.24 4.16 0.00 3.07 3.17 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 50 N 7.98 4.15 0.00 2.80 2.77 0.00 0.00 6.90 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 51 C 8.00 4.27 0.00 3.23 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 52 Y 8.06 4.03 0.00 3.14 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 53 R 8.00 4.03 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 54 Q 8.09 4.12 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 55 A 8.01 4.11 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.38 0.00 2.07 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 2.34 2.60 0.00 58 I 7.45 4.09 1.98 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 1.33 0.70 0.89 0.00 0.00 59 S 8.67 4.12 0.00 3.96 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 60 G 9.03 3.72 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 0.00 0.00 0.00 61 C 8.13 4.49 0.00 3.05 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 62 R 8.04 4.65 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 63 P 0.00 3.81 0.00 1.57 1.23 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 64 K 8.02 3.63 0.00 1.84 1.15 0.00 1.67 0.00 0.00 2.05 0.00 0.00 3.66 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.20 7.81 65 F 7.32 4.52 0.00 2.77 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 66 K 8.56 3.85 0.00 1.73 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.52 7.81 67 T 8.40 4.14 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 1.15 0.00 0.00 68 Y 8.44 4.92 0.00 2.90 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 69 T 9.13 4.92 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 1.29 0.00 0.00 70 Y 8.60 5.40 0.00 3.11 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 71 E 9.88 4.32 0.00 1.91 1.73 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 2.09 2.11 0.00 72 C 8.79 5.23 0.00 3.14 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 73 S 9.53 4.46 0.00 3.84 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 74 G 9.63 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 75 G 8.21 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 76 T 7.51 4.47 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 1.22 0.00 0.00 77 L 8.41 5.32 0.00 1.49 1.57 0.96 1.02 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 78 T 9.51 4.63 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 1.22 0.00 0.00 79 C 8.84 5.04 0.00 2.80 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 80 K 9.01 4.32 0.00 1.77 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.44 7.81 81 G 8.93 3.73 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 0.00 0.00 0.00 82 D 7.41 4.44 0.00 2.85 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 83 N 8.33 4.74 0.00 2.76 2.88 0.00 0.00 6.93 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 84 N 8.44 4.70 0.00 2.99 2.98 0.00 0.00 6.11 7.46 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 85 A 8.50 3.97 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 86 C 8.22 4.14 0.00 2.98 3.27 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 0.00 0.00 0.00 0.00 87 A 8.77 3.94 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 88 A 8.73 3.86 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 89 S 8.10 3.96 0.00 3.97 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 90 S 8.01 3.88 0.00 3.82 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 91 C 7.91 2.87 0.00 2.36 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.83 4.02 0.00 2.78 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 93 C 7.80 4.15 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 94 D 7.75 3.55 0.00 2.42 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.78 0.00 1.76 1.92 0.00 3.04 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 96 L 7.82 3.89 0.00 1.82 1.62 0.87 0.85 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 97 A 8.13 3.76 1.06 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 98 A 8.32 3.39 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 99 I 7.70 3.64 1.95 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 1.39 0.68 0.89 0.00 0.00 100 C 8.43 4.38 0.00 3.12 3.25 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 0.00 101 F 8.39 4.30 0.00 2.96 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 0.00 102 A 7.86 4.30 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 0.00 103 G 7.98 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 0.00 104 A 7.35 4.82 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 0.00 105 P 0.00 4.34 0.00 2.12 2.07 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 106 Y 8.51 4.24 0.00 2.93 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 0.00 107 N 9.02 4.83 0.00 2.84 2.74 0.00 0.00 6.80 8.79 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 0.00 108 D 9.08 4.77 0.00 2.81 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 0.00 109 N 8.80 4.31 0.00 2.95 2.83 0.00 0.00 7.05 7.54 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 0.00 110 N 8.31 4.27 0.00 1.81 1.94 0.00 0.00 6.62 7.04 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 0.00 111 Y 7.34 4.32 0.00 2.94 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 0.00 112 N 8.39 4.15 0.00 1.84 2.53 0.00 0.00 7.18 7.82 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 0.00 113 I 7.02 3.88 1.76 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 1.13 0.59 0.76 0.00 0.00 114 D 8.26 4.38 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.27 3.93 0.00 1.67 1.62 0.86 0.60 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 0.00 116 K 8.05 3.83 0.00 1.72 1.98 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.49 7.81 117 A 7.97 4.26 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 0.00 118 R 7.91 4.47 0.00 1.92 1.91 0.00 3.06 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 119 C 8.06 4.90 0.00 2.92 3.25 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 0.00 120 N 8.03 4.53 0.00 2.59 2.91 0.00 0.00 6.94 7.56 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 * Residues marked with a * may have inaccurate shift predictions.