NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1765 8.3033 121.4519 55.9902 32.0035 177.7397 3 Q 3.8318 7.8849 117.8985 56.9513 29.1155 176.1678 4 Q 4.0538 8.8381 119.3933 59.5659 28.5840 178.6913 5 L 3.5788 7.5456 120.0238 57.3694 41.6295 179.1816 6 K 3.8523 7.4981 118.2327 59.2178 32.0348 178.2783 7 D 4.3452 8.4490 119.3876 56.6807 40.8326 178.6314 8 I 3.5085 7.5188 120.5910 63.7469 37.0666 178.3703 9 I 3.4877 7.7100 121.1784 64.2956 36.9049 178.4847 10 S 4.0223 7.6262 114.7651 61.4114 62.6374 176.1143 11 A 3.8704 7.8106 124.4341 55.0929 18.0618 179.5159 12 C 3.8851 7.6999 114.9607 62.9283 27.7195 175.6078 13 D 4.3140 8.4490 119.9462 57.3272 40.5504 178.2953 14 L 3.9439 8.2142 120.7160 57.8778 42.2328 178.5614 15 A 4.2954 7.9622 122.0034 54.3411 18.1627 179.5413 16 I 3.6354 7.6778 118.4152 64.0560 37.1348 178.4387 17 Q 3.9752 7.3912 117.3710 59.0680 28.6353 177.0012 18 N 4.5418 8.2810 112.3586 52.7356 38.3775 174.6699 19 E 2.8818 7.2149 116.9032 57.2911 28.3653 175.5396 20 D 4.7101 7.0018 114.8913 51.6973 38.9406 176.9728 21 F 4.3860 6.8916 120.9538 60.2465 39.7972 177.7416 22 D 4.5596 8.1639 120.2500 55.9580 39.4304 177.3939 23 T 4.3736 7.7865 108.5841 62.6713 69.9480 175.7215 24 L 4.4179 7.2635 125.1356 55.1193 41.2677 177.7982 *26 N 4.6911 8.1066 114.7485 52.8402 40.6403 174.9421 27 Y 4.5896 7.7781 114.5262 58.4610 39.2218 174.9622 28 Y 5.2528 7.9525 116.7738 56.3507 40.3486 175.5842 29 S 4.5511 8.9495 117.7997 57.7700 64.6228 173.8664 30 E 4.1686 8.9216 120.4262 58.2390 30.4574 177.2524 31 D 4.8624 7.5814 115.8445 53.0157 40.3471 176.8564 32 A 4.5264 8.0802 121.0513 53.0921 20.1443 177.4231 33 V 4.8547 9.2441 111.6801 59.5501 36.0568 174.8747 34 L 5.1275 8.7882 126.1305 53.2334 45.2625 175.3265 35 V 4.1274 8.6001 127.1974 61.9965 31.2182 175.9974 36 V 3.6287 8.4275 128.8859 65.2033 31.7410 175.9426 37 K 4.2248 7.5061 114.4836 54.7007 34.6986 172.9759 38 P 3.7615 0.0000 0.0000 64.3338 31.7712 176.1371 39 G 3.6179 8.2969 112.1322 45.8131 0.0000 172.3799 *41 I 4.1177 7.3732 113.4174 60.9892 39.5412 175.7891 42 A 4.7175 8.7104 125.5889 50.2183 21.4772 175.4526 43 R 4.7931 8.6648 121.4187 55.4375 32.8286 177.0068 44 G 4.4436 9.0452 109.1565 45.8819 0.0000 174.4789 45 K 3.8655 8.6473 120.2975 59.3047 32.0226 179.2595 46 E 3.8859 8.0489 118.8389 59.4738 29.7834 178.4072 47 E 3.9231 8.1355 118.0111 59.6582 29.6087 179.4908 48 I 3.5392 7.6589 119.7221 63.8358 37.0998 178.3776 49 K 3.9909 8.0145 120.5452 59.4853 32.1029 178.9039 50 K 3.7944 8.0116 118.4490 59.3812 31.8840 178.9043 51 A 3.8013 7.7715 120.8272 55.3462 17.9871 179.7714 52 F 4.0124 7.4201 114.4248 60.6307 39.0147 177.6695 53 I 3.2155 6.9964 118.2827 64.4661 37.1125 178.3151 54 T 4.0533 8.2050 117.1266 66.5508 68.0558 176.4358 55 I 4.0425 7.6612 111.8266 61.4108 37.7261 177.3398 56 A 4.3841 7.9687 124.8960 55.4572 18.6831 178.8347 57 N 4.8809 8.2739 112.6911 53.5749 39.0687 174.9392 58 Y 4.5300 8.1851 119.0602 57.4437 38.7739 174.4825 59 F 4.6395 8.1260 116.2925 55.5807 42.3898 175.0406 60 N 4.7235 8.4076 125.6161 52.7592 38.0693 176.3144 61 H 4.7152 7.9710 130.4924 53.7246 28.5783 176.1422 62 H 4.1844 8.7081 115.9831 58.4687 26.2045 174.7355 63 I 4.2894 7.6754 114.4741 61.8344 38.1679 177.2003 64 V 3.2626 7.8567 117.0063 61.4088 30.0150 172.6018 65 P 4.3017 0.0000 0.0000 64.4851 32.2286 177.3522 66 T 4.3611 8.8816 122.2947 62.0869 69.7497 174.2183 67 Q 4.1575 8.9419 128.5221 56.8562 29.5039 175.9599 68 G 4.3211 8.4632 114.1910 44.9078 0.0000 170.9624 69 K 4.0239 8.8332 123.2102 56.9040 33.5457 176.7633 *71 I 4.2564 8.1106 119.5309 61.1404 38.8281 174.9872 72 L 5.0715 8.4331 124.3468 53.0121 44.6105 176.0549 73 L 4.5372 9.0861 125.0481 53.0973 43.2448 174.6205 74 E 4.6424 8.6220 124.8353 54.1160 30.7834 176.1743 75 A 4.7411 8.2339 129.0923 50.7134 20.2513 176.8126 76 G 3.9904 8.8260 113.4298 45.8479 0.0000 172.9598 77 D 4.3970 9.5212 120.6524 56.9651 42.4154 174.9538 78 T 5.6089 7.8206 107.5897 60.2696 72.6101 173.0905 79 V 4.8035 8.8339 120.7827 61.5243 35.2822 172.9300 80 L 4.9226 9.3366 131.0619 53.9078 43.5295 174.9765 81 V 4.6190 9.2615 127.6292 61.6281 33.3909 174.7528 82 L 5.1512 8.8802 129.2775 52.4003 41.5372 174.0757 83 S 4.5498 8.0685 117.4262 57.0434 64.2251 171.8688 84 Q 4.8901 9.1206 129.4175 55.0940 31.0394 174.1403 85 T 5.0022 8.5415 122.4243 61.7897 71.7141 173.0453 86 L 4.6358 9.1981 126.8694 53.8124 43.0904 177.7094 87 L 4.0436 8.6583 124.7513 57.1222 42.5967 177.0745 88 D 4.6683 7.9068 115.7296 54.6818 42.9501 175.7404 *99 E 4.3423 7.7930 115.0816 56.1770 31.3332 175.9343 100 R 4.3431 9.0810 119.9645 54.8170 32.5995 174.3612 101 R 4.8304 8.5760 126.8744 55.2493 31.0546 175.9893 102 A 4.6265 8.7461 126.9495 50.4022 21.8188 175.6375 103 T 4.6779 7.7750 108.0116 60.3803 71.5196 172.5813 104 Y 5.0726 8.7123 124.1746 56.0025 41.8781 175.2136 105 V 4.8701 8.6389 121.2337 61.4686 34.6112 174.3241 106 F 5.4428 9.2424 126.6052 55.6912 42.4527 174.6393 107 K 5.2787 9.2838 122.5073 54.5631 35.2262 174.9542 108 K 3.9009 7.6136 129.5254 55.5635 32.4923 176.6528 109 N 4.5747 8.2494 126.0411 51.7203 39.0001 175.5079 110 A 3.9180 8.5243 120.1990 55.6976 18.2828 179.1663 111 Q 3.9445 7.8879 112.6663 57.5058 28.8008 177.7132 112 G 3.7714 8.0968 106.2378 44.8513 0.0000 172.5549 113 E 4.5862 8.1359 118.7810 54.1792 31.6940 175.3585 114 W 4.6538 8.9407 124.5720 56.7040 29.7170 175.7366 115 L 5.0827 9.0131 125.1122 53.3256 44.5162 175.0174 116 C 4.0919 9.2189 121.6223 58.6503 32.5998 173.9467 117 V 4.2364 8.9244 125.3480 63.6432 34.2151 175.0785 118 I 4.9058 7.5662 120.7617 59.7063 40.8434 174.1799 119 D 5.1517 9.2201 128.5837 52.6728 42.4763 173.3025 120 N 5.4381 8.7445 124.5725 50.9147 39.3307 174.6626 121 S 4.4090 8.9911 114.8768 59.3718 63.5321 175.1138 122 Y 4.2814 8.5892 119.0057 57.2837 39.7699 176.9910 123 G 4.0702 8.3835 108.7910 45.3810 0.0000 175.2862 124 T 4.1596 8.3276 109.8670 63.3294 69.2094 176.3434 125 D 4.4541 8.0286 122.7123 56.9518 41.1205 178.1087 126 L 3.8352 7.6680 120.4239 58.2128 42.0950 178.3630 127 I 3.7893 7.6510 118.7297 64.2983 37.3148 176.2141 128 G 3.7459 7.5704 112.3334 45.8339 0.0000 173.1616 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 2 E 8.30 4.18 0.00 1.96 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 2.29 0.00 3 Q 7.88 3.83 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 4 Q 8.84 4.05 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 5 L 7.55 3.58 0.00 1.44 1.35 0.46 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.50 3.85 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 7 D 8.45 4.35 0.00 2.87 2.63 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 8 I 7.52 3.51 1.73 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 1.50 0.82 0.66 0.00 0.00 9 I 7.71 3.49 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.84 0.81 0.00 0.00 10 S 7.63 4.02 0.00 3.96 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 11 A 7.81 3.87 1.15 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 0.00 0.00 12 C 7.70 3.89 0.00 2.91 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 13 D 8.45 4.31 0.00 2.76 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 14 L 8.21 3.94 0.00 1.83 1.75 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.96 4.30 1.39 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 0.00 0.00 16 I 7.68 3.64 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.92 0.00 0.00 17 Q 7.39 3.98 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.20 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 18 N 8.28 4.54 0.00 2.81 2.75 0.00 0.00 7.30 8.13 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 19 E 7.21 2.88 0.00 1.92 1.80 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 2.29 2.34 0.00 20 D 7.00 4.71 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.89 4.39 0.00 3.24 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 22 D 8.16 4.56 0.00 2.79 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 23 T 7.79 4.37 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 1.29 0.00 0.00 24 L 7.26 4.42 0.00 1.84 1.84 0.94 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *26 N 8.11 4.69 0.00 2.51 2.62 0.00 0.00 7.13 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 27 Y 7.78 4.59 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 28 Y 7.95 5.25 0.00 2.97 2.90 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 29 S 8.95 4.55 0.00 3.92 4.12 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 30 E 8.92 4.17 0.00 2.15 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 2.38 2.38 0.00 31 D 7.58 4.86 0.00 2.76 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 32 A 8.08 4.53 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 33 V 9.24 4.85 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 0.76 0.00 0.00 1.01 0.00 0.00 34 L 8.79 5.13 0.00 1.47 1.26 0.48 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.60 4.13 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 0.54 0.00 0.00 0.91 0.00 0.00 36 V 8.43 3.63 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 0.68 0.00 0.00 0.71 0.00 0.00 37 K 7.51 4.22 0.00 1.83 1.83 0.00 1.49 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.43 7.81 38 P 0.00 3.76 0.00 1.96 1.96 0.00 3.70 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 39 G 8.30 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 *41 I 7.37 4.12 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.84 0.00 0.00 42 A 8.71 4.72 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 43 R 8.66 4.79 0.00 1.62 1.79 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 44 G 9.05 4.44 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 0.00 45 K 8.65 3.87 0.00 1.82 1.91 0.00 1.98 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.66 7.81 46 E 8.05 3.89 0.00 2.02 1.91 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 2.35 2.39 0.00 47 E 8.14 3.92 0.00 2.17 1.91 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 2.35 2.37 0.00 48 I 7.66 3.54 1.81 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 1.17 1.16 0.53 0.00 0.00 49 K 8.01 3.99 0.00 2.01 1.95 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.57 7.81 50 K 8.01 3.79 0.00 1.94 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 51 A 7.77 3.80 1.05 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 0.00 0.00 52 F 7.42 4.01 0.00 2.93 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 53 I 7.00 3.22 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.04 0.88 0.00 0.00 54 T 8.21 4.05 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 55 I 7.66 4.04 1.64 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.45 0.82 0.00 0.00 56 A 7.97 4.38 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.27 4.88 0.00 3.01 3.16 0.00 0.00 5.84 7.57 0.00 0.00 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 Y 8.19 4.53 0.00 3.11 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.64 0.00 3.24 2.66 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 0.00 0.00 0.00 0.00 60 N 8.41 4.72 0.00 2.62 2.68 0.00 0.00 7.27 7.89 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 61 H 7.97 4.72 0.00 2.92 3.10 0.00 6.10 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.71 4.18 0.00 3.29 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.68 4.29 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.91 0.00 0.00 64 V 7.86 3.26 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 0.72 0.00 0.00 0.94 0.00 0.00 65 P 0.00 4.30 0.00 2.12 2.16 0.00 3.78 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 2.02 2.05 0.00 66 T 8.88 4.36 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 67 Q 8.94 4.16 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 68 G 8.46 4.32 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 0.00 69 K 8.83 4.02 0.00 1.97 1.75 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 *71 I 8.11 4.26 1.86 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 1.33 0.37 0.90 0.00 0.00 72 L 8.43 5.07 0.00 1.39 1.46 0.86 0.74 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 73 L 9.09 4.54 0.00 1.54 1.61 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.62 4.64 0.00 1.88 1.83 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 2.30 2.39 0.00 75 A 8.23 4.74 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 76 G 8.83 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 77 D 9.52 4.40 0.00 2.76 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 78 T 7.82 5.61 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 1.32 0.00 0.00 79 V 8.83 4.80 1.74 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 0.70 0.00 0.00 0.23 0.00 0.00 80 L 9.34 4.92 0.00 1.80 1.55 1.00 0.87 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 81 V 9.26 4.62 2.42 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 1.13 0.00 0.00 1.07 0.00 0.00 82 L 8.88 5.15 0.00 1.48 1.56 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.07 4.55 0.00 4.06 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 84 Q 9.12 4.89 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 85 T 8.54 5.00 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 1.24 0.00 0.00 86 L 9.20 4.64 0.00 1.66 1.57 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.66 4.04 0.00 1.57 1.67 0.91 1.16 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 88 D 7.91 4.67 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 *99 E 7.79 4.34 0.00 1.99 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 2.17 2.31 0.00 100 R 9.08 4.34 0.00 1.76 1.77 0.00 2.80 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 101 R 8.58 4.83 0.00 1.78 1.83 0.00 3.14 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 102 A 8.75 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.78 4.68 4.18 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 1.15 0.00 0.00 104 Y 8.71 5.07 0.00 3.09 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 0.00 105 V 8.64 4.87 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 1.08 0.00 0.00 0.97 0.00 0.00 106 F 9.24 5.44 0.00 3.15 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 0.00 107 K 9.28 5.28 0.00 1.93 1.72 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 108 K 7.61 3.90 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.58 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.94 0.52 7.81 109 N 8.25 4.57 0.00 2.81 2.92 0.00 0.00 6.43 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 0.00 110 A 8.52 3.92 1.26 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 0.00 0.00 111 Q 7.89 3.94 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 112 G 8.10 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.14 4.59 0.00 2.09 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 2.18 2.39 0.00 114 W 8.94 4.65 0.00 3.15 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 0.00 115 L 9.01 5.08 0.00 1.74 1.69 0.96 0.59 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 0.00 116 C 9.22 4.09 0.00 2.61 2.41 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 0.00 117 V 8.92 4.24 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 0.97 0.00 0.00 1.08 0.00 0.00 118 I 7.57 4.91 1.90 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 1.25 0.67 0.94 0.00 0.00 119 D 9.22 5.15 0.00 3.01 2.76 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 0.00 120 N 8.74 5.44 0.00 2.93 2.84 0.00 0.00 6.78 7.52 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 0.00 121 S 8.99 4.41 0.00 4.08 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 0.00 122 Y 8.59 4.28 0.00 3.30 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 0.00 123 G 8.38 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 0.00 0.00 0.00 124 T 8.33 4.16 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 1.21 0.00 0.00 125 D 8.03 4.45 0.00 3.06 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 0.00 126 L 7.67 3.84 0.00 1.81 1.70 0.64 1.43 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 0.00 127 I 7.65 3.79 2.03 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 1.23 0.65 0.91 0.00 0.00 128 G 7.57 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 * Residues marked with a * may have inaccurate shift predictions.