NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.2719 8.3393 109.7716 45.5115 0.0000 174.3210 0 H 4.3695 8.6740 114.7109 55.9455 29.4878 173.4364 1 M 4.3076 8.0307 121.8884 54.2955 33.8634 175.5378 2 N 5.5225 8.4830 121.3434 51.0524 42.1906 174.2010 3 L 3.9089 8.7902 130.0035 58.8477 41.9252 179.3118 4 T 3.8792 7.8085 114.2821 66.7581 68.6125 176.2692 5 E 4.1182 8.3663 119.9837 59.3124 29.5035 179.2602 6 L 4.0317 8.0459 119.2400 57.6687 41.4399 179.6505 7 K 4.0405 7.9439 117.6422 58.8025 32.0136 178.0837 8 N 4.7204 7.5323 113.9914 52.4577 39.0935 174.9292 9 T 4.3166 7.1426 118.6175 61.6235 69.6327 173.1147 10 P 4.3106 0.0000 0.0000 62.9286 32.1463 177.6652 11 V 3.6295 8.4083 120.8900 65.9625 31.4729 178.6133 12 S 4.1389 8.0141 113.8442 61.5439 62.8515 176.2630 13 E 4.0429 8.0720 122.0200 58.8230 29.0981 179.3235 14 L 4.0213 7.7469 118.9507 57.7280 41.7926 179.2789 15 I 3.7184 8.1529 120.2295 64.5685 37.0115 178.5615 16 T 3.8490 7.8416 116.5180 66.4868 68.2884 176.3285 17 L 4.0392 8.1027 122.2567 58.0827 42.1242 179.2115 18 G 3.6233 8.1939 105.5747 48.0490 0.0000 175.5110 19 E 4.4747 8.5705 123.3768 58.5085 29.2145 178.9830 20 N 4.3083 8.1483 116.3262 56.7817 39.1047 176.1261 21 M 4.3700 7.9260 117.6538 55.9683 32.1437 177.0521 22 G 3.9590 8.0999 108.1262 45.0880 0.0000 173.3258 23 L 4.2671 8.1255 120.9666 53.8658 42.1770 175.7824 24 E 4.4493 8.5938 123.5462 56.8216 30.7122 176.7728 25 N 3.9785 8.4960 113.0536 55.0331 35.2023 173.6729 26 L 4.2178 7.8540 123.6113 55.9131 42.5979 179.1392 27 A 3.9792 7.9636 120.8204 54.6900 18.3361 178.0789 28 R 4.1967 7.8773 113.5583 57.2768 30.6236 175.9897 29 M 4.4813 7.7944 117.0675 54.5849 33.6159 176.8321 30 R 4.0391 8.1734 119.8411 55.7715 32.1929 177.6361 31 K 3.7380 8.6381 123.4408 60.0988 32.1109 178.6812 32 Q 3.6543 7.9530 118.8247 59.3515 28.8124 178.0777 33 D 4.2372 7.7684 119.2613 57.0536 40.9886 178.4481 34 I 3.6824 7.7267 120.3887 64.4621 37.1187 178.2223 35 I 3.7124 7.5789 120.4221 64.5944 36.8955 178.3450 36 F 4.6124 8.0604 118.0311 60.7115 38.7995 177.3432 37 A 4.0976 8.1826 120.3067 55.4700 18.0703 179.7540 38 I 3.6928 7.9088 117.9019 64.6198 37.1625 178.7042 39 L 4.1050 8.2223 119.7903 57.7993 41.2498 179.7270 40 K 3.9785 8.3317 117.7018 59.4987 32.1751 178.9265 41 Q 4.1050 8.0092 119.3090 59.5333 28.9776 177.6361 42 H 4.2181 8.6328 119.3413 59.2596 29.8674 177.0486 43 A 4.0132 8.5255 122.8703 54.8068 17.9254 179.5802 44 K 4.0164 7.6661 116.6050 58.8975 32.1469 178.6742 45 S 4.3904 7.6747 112.7495 58.9224 63.4117 175.1319 46 G 3.9046 8.1347 111.4457 45.1395 0.0000 173.6600 47 E 4.1080 7.1959 118.8236 55.7647 30.2538 176.0084 48 D 4.4709 8.4022 124.2437 54.0205 41.8237 175.8622 49 I 4.8189 7.7220 115.3426 59.1888 41.2431 174.1132 50 F 5.3660 8.9280 122.2063 56.2287 43.0472 174.0588 51 G 4.6847 8.9485 106.2566 46.1367 0.0000 171.5669 52 D 5.4586 7.1755 117.8424 53.2457 42.2917 174.7782 53 G 3.9683 7.7495 105.1125 46.7197 0.0000 171.0458 54 V 4.8944 7.8067 119.9525 60.7507 33.4938 175.1266 55 L 4.7001 9.0473 131.3034 55.1869 43.4776 175.3257 56 E 4.9947 9.1496 124.7514 54.6638 33.2772 174.5630 57 I 4.4543 7.9491 124.2260 59.8942 38.7327 175.9705 58 L 4.3780 8.0326 126.9548 52.9035 43.3596 177.6836 59 Q 3.8998 8.3115 118.2289 59.3423 28.5616 177.8176 60 D 4.4900 7.7739 114.8918 55.0747 40.7896 177.0576 61 G 3.8877 8.5603 109.9388 44.6549 0.0000 173.5402 62 F 4.5120 7.5106 115.0366 55.8442 40.8109 174.2335 63 G 4.4658 9.0609 105.5355 44.7655 0.0000 171.2905 64 F 5.6004 8.7757 117.3957 55.4871 43.1964 175.1818 65 L 4.9109 9.2073 122.7959 54.0523 42.4829 176.5331 66 R 4.8709 8.9626 124.2190 55.0563 32.2526 176.4167 67 S 4.4614 8.6445 117.6612 57.9902 63.3439 175.2831 68 A 4.4293 8.1863 130.0205 51.1443 18.4652 176.8415 *74 A 4.0753 7.6625 124.2751 51.9529 20.5418 177.8963 75 G 3.7597 8.9674 112.7532 48.4303 0.0000 173.8416 76 P 4.7837 0.0000 0.0000 64.3764 31.4161 176.8210 77 D 5.2211 7.5372 115.3801 52.9307 39.5950 176.0476 78 D 4.7414 8.4812 120.0621 55.1780 41.7660 175.7504 79 I 4.8138 8.4050 122.6096 59.9185 39.2598 174.7034 80 Y 4.3157 9.1838 129.2008 57.5511 40.2839 174.5414 81 V 4.4911 7.3943 125.5954 60.7829 34.6176 175.4601 82 S 4.4321 8.9813 122.7780 56.9967 64.2148 173.3176 83 P 4.4817 0.0000 0.0000 65.2403 30.8562 179.1241 84 S 4.1810 8.0071 112.4843 61.2895 63.2466 176.4587 85 Q 4.1705 8.0466 121.2772 58.8974 28.5058 178.5899 86 I 3.7392 7.7201 120.8410 64.5663 36.8335 178.5103 87 R 3.9401 8.1080 119.3888 59.2105 29.7065 178.4576 88 R 3.5655 8.1323 118.1750 58.2546 30.0292 177.4671 89 F 4.7213 7.6722 114.3964 55.7109 40.3831 174.9660 90 N 4.1324 7.5098 115.7735 54.4834 37.4724 173.9262 91 L 4.7172 7.8521 117.0404 53.9747 43.7363 177.2155 92 R 4.6934 8.9230 119.9612 54.1044 34.0457 175.1051 93 T 4.1406 8.4604 116.7163 65.9688 68.5808 174.6993 94 G 3.9975 9.4945 116.1579 44.8275 0.0000 173.2364 95 D 4.5432 8.0218 120.2135 54.6476 42.2308 175.5739 96 T 4.8637 8.4021 118.7878 62.6581 69.7986 174.1577 97 I 4.6155 8.6427 127.6152 59.5175 40.3934 175.0576 98 S 5.1775 8.1790 121.0259 57.0225 67.0716 173.1257 99 G 4.6017 8.3399 108.1695 46.4826 0.0000 172.3772 100 K 4.3861 9.0092 120.6967 55.9771 32.8746 177.1086 101 I 5.1039 8.4164 118.5534 59.0206 40.7919 174.8282 102 R 4.8633 8.9588 118.4555 53.3810 32.7562 173.1552 103 P 3.0452 0.0000 0.0000 61.5485 32.0766 174.0773 104 P 4.3280 0.0000 0.0000 63.0681 32.1397 176.6616 105 K 4.2990 9.5218 123.3726 55.5692 35.0842 175.1541 106 E 4.1428 8.4186 118.6418 58.1806 29.6743 176.4978 107 G 4.0154 9.0231 111.7155 45.3046 0.0000 173.4121 108 E 4.5097 7.4015 117.5119 55.0490 31.1068 175.9556 109 R 4.3506 8.2718 117.2387 55.8460 32.4379 175.5537 110 Y 4.8338 7.4607 113.9377 55.4830 41.7164 175.5315 111 F 4.0812 9.2442 120.3933 58.1896 40.5412 174.0459 112 A 5.3816 8.9712 122.0319 49.8474 22.6347 175.3666 113 L 4.1765 8.8288 124.4302 55.7192 42.2237 175.9679 114 L 4.5308 9.2399 128.6539 56.3911 43.5288 176.6420 115 K 4.6018 7.5881 116.8987 54.6224 36.1840 175.9267 116 V 3.8094 8.0714 124.2180 62.6546 32.5753 174.2928 117 N 4.1512 8.7247 123.0270 54.3999 36.8212 174.1333 118 E 4.3312 7.8409 120.7922 56.4528 30.5308 176.1919 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 G 8.34 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 0.00 0.00 0.00 0.00 0 H 8.67 4.37 0.00 3.40 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.03 4.31 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 2 N 8.48 5.52 0.00 2.78 2.66 0.00 0.00 6.80 6.66 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 3 L 8.79 3.91 0.00 1.68 1.64 0.87 0.74 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 4 T 7.81 3.88 4.45 0.00 0.00 0.00 0.00 0.00 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 5 E 8.37 4.12 0.00 2.10 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 2.59 2.34 0.00 6 L 8.05 4.03 0.00 1.82 1.70 0.92 0.56 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 7 K 7.94 4.04 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.61 7.81 8 N 7.53 4.72 0.00 2.76 2.83 0.00 0.00 7.01 8.89 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 9 T 7.14 4.32 4.39 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 1.20 0.00 0.00 10 P 0.00 4.31 0.00 2.16 1.98 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 11 V 8.41 3.63 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 1.14 0.00 0.00 0.91 0.00 0.00 12 S 8.01 4.14 0.00 4.08 4.10 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 13 E 8.07 4.04 0.00 2.09 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 2.32 2.34 0.00 14 L 7.75 4.02 0.00 1.86 1.70 0.89 0.88 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 15 I 8.15 3.72 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.91 0.00 0.00 16 T 7.84 3.85 4.34 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 0.00 0.00 1.21 0.00 0.00 17 L 8.10 4.04 0.00 1.76 1.80 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.19 3.62 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 0.00 0.00 0.00 19 E 8.57 4.47 0.00 2.06 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 2.45 2.28 0.00 20 N 8.15 4.31 0.00 2.81 3.01 0.00 0.00 7.29 7.26 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 21 M 7.93 4.37 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 22 G 8.10 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 23 L 8.13 4.27 0.00 1.83 1.62 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.59 4.45 0.00 1.93 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 0.00 2.26 2.38 0.00 25 N 8.50 3.98 0.00 2.79 2.96 0.00 0.00 7.08 7.85 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 26 L 7.85 4.22 0.00 1.71 1.70 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.96 3.98 1.28 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 0.00 0.00 28 R 7.88 4.20 0.00 1.76 1.95 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 29 M 7.79 4.48 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 30 R 8.17 4.04 0.00 1.78 1.79 0.00 3.12 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 31 K 8.64 3.74 0.00 1.77 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 32 Q 7.95 3.65 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 1.43 2.02 0.00 33 D 7.77 4.24 0.00 2.81 2.69 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 34 I 7.73 3.68 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 0.91 0.00 0.00 35 I 7.58 3.71 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 0.93 0.00 0.00 36 F 8.06 4.61 0.00 3.19 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 37 A 8.18 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.91 3.69 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.93 0.00 0.00 39 L 8.22 4.11 0.00 1.95 1.96 0.78 0.88 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 40 K 8.33 3.98 0.00 1.84 1.89 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.64 7.81 41 Q 8.01 4.10 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 42 H 8.63 4.22 0.00 3.38 3.54 0.00 5.84 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 43 A 8.53 4.01 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 K 7.67 4.02 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 45 S 7.67 4.39 0.00 4.00 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 46 G 8.13 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 47 E 7.20 4.11 0.00 1.88 1.64 0.00 0.00 0.00 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 2.37 0.00 48 D 8.40 4.47 0.00 2.71 2.17 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 49 I 7.72 4.82 1.90 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 1.37 1.39 0.97 0.00 0.00 50 F 8.93 5.37 0.00 3.02 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 51 G 8.95 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.18 5.46 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.81 4.89 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 0.99 0.00 0.00 0.94 0.00 0.00 55 L 9.05 4.70 0.00 1.78 1.52 0.89 0.67 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 56 E 9.15 4.99 0.00 1.96 1.78 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 2.22 2.27 0.00 57 I 7.95 4.45 1.80 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 1.18 0.75 0.80 0.00 0.00 58 L 8.03 4.38 0.00 0.80 1.22 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.31 3.90 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 60 D 7.77 4.49 0.00 2.85 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 61 G 8.56 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 0.00 0.00 0.00 62 F 7.51 4.51 0.00 2.99 3.20 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 0.00 0.00 0.00 0.00 63 G 9.06 4.47 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 0.00 0.00 0.00 64 F 8.78 5.60 0.00 2.99 2.85 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 65 L 9.21 4.91 0.00 1.70 1.69 0.94 0.97 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 66 R 8.96 4.87 0.00 1.71 1.85 0.00 3.28 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 67 S 8.64 4.46 0.00 3.76 3.82 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 68 A 8.19 4.43 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 *74 A 7.66 4.08 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 75 G 8.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.78 0.00 2.19 2.28 0.00 3.64 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 2.08 2.16 0.00 77 D 7.54 5.22 0.00 2.75 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 78 D 8.48 4.74 0.00 2.24 2.55 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 79 I 8.41 4.81 2.01 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 1.28 0.77 1.05 0.00 0.00 80 Y 9.18 4.32 0.00 3.17 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 81 V 7.39 4.49 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 0.87 0.00 0.00 0.88 0.00 0.00 82 S 8.98 4.43 0.00 4.10 4.04 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 83 P 0.00 4.48 0.00 2.20 2.18 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 84 S 8.01 4.18 0.00 4.04 4.10 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 85 Q 8.05 4.17 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 86 I 7.72 3.74 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.95 0.00 0.00 87 R 8.11 3.94 0.00 2.05 1.87 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 R 8.13 3.57 0.00 1.67 1.12 0.00 2.51 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.36 0.00 89 F 7.67 4.72 0.00 3.23 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 90 N 7.51 4.13 0.00 2.85 2.86 0.00 0.00 7.08 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 91 L 7.85 4.72 0.00 1.71 1.59 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.92 4.69 0.00 1.90 1.75 0.00 3.15 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 93 T 8.46 4.14 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 1.20 0.00 0.00 94 G 9.49 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 0.00 0.00 0.00 95 D 8.02 4.54 0.00 2.64 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 96 T 8.40 4.86 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 97 I 8.64 4.62 1.88 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 1.22 1.35 0.90 0.00 0.00 98 S 8.18 5.18 0.00 3.74 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 99 G 8.34 4.60 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 0.00 0.00 0.00 100 K 9.01 4.39 0.00 1.59 1.53 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.71 1.27 7.81 101 I 8.42 5.10 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.99 0.00 0.00 102 R 8.96 4.86 0.00 1.76 1.97 0.00 2.72 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 103 P 0.00 3.05 0.00 1.73 1.76 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 104 P 0.00 4.33 0.00 1.96 2.06 0.00 2.67 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 105 K 9.52 4.30 0.00 1.83 1.94 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.33 7.81 106 E 8.42 4.14 0.00 1.93 1.89 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 2.26 2.25 0.00 107 G 9.02 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 0.00 0.00 0.00 108 E 7.40 4.51 0.00 1.98 1.75 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 2.13 2.15 0.00 109 R 8.27 4.35 0.00 1.61 1.42 0.00 3.12 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 110 Y 7.46 4.83 0.00 3.03 3.15 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 0.00 0.00 0.00 111 F 9.24 4.08 0.00 3.09 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 0.00 112 A 8.97 5.38 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 4.18 0.00 1.68 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.24 4.53 0.00 1.66 1.69 0.92 0.50 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 0.00 115 K 7.59 4.60 0.00 2.19 1.55 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.39 7.81 116 V 8.07 3.81 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 0.54 0.00 0.00 0.77 0.00 0.00 117 N 8.72 4.15 0.00 2.78 2.77 0.00 0.00 6.92 7.28 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 0.00 118 E 7.84 4.33 0.00 2.31 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 2.36 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.