NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 5.1898 8.1648 122.9783 52.1333 18.7486 174.8053 *2 I 4.0515 7.8460 120.0129 61.8550 38.3228 176.2467 3 V 4.1337 8.6900 118.6831 62.3713 32.6801 176.3848 4 G 4.6791 7.4819 104.7593 46.1247 0.0000 172.1710 5 L 5.2657 8.5650 123.1568 53.0526 45.1615 175.7765 6 G 4.3070 9.1628 112.2222 44.9950 0.0000 171.1517 7 T 5.2457 8.2172 115.4177 60.8605 70.9371 172.1850 8 D 4.6965 8.6784 123.3313 53.2637 45.2322 173.7984 9 I 5.0307 8.5005 124.2761 59.1619 41.0357 174.1745 10 A 4.9424 9.3437 130.0790 50.0668 22.3160 174.7607 11 E 4.4699 8.8665 122.8105 55.3674 30.5202 177.3249 12 I 3.7322 8.6115 128.7670 64.4511 37.0720 178.0500 13 E 4.0793 8.0581 119.6795 59.3611 29.4153 178.9654 14 R 3.8481 7.6870 117.7959 59.0900 30.0211 179.2003 15 V 3.6294 7.6636 117.6435 65.9912 31.6320 177.7975 16 E 4.0211 8.3767 118.4402 59.3782 29.1978 179.5317 17 K 3.9552 8.3575 118.5425 59.2935 32.0773 179.2630 18 A 3.7937 7.8949 121.0956 55.0783 18.2037 179.7058 19 L 4.1521 8.3131 117.4100 57.9761 41.5083 179.6009 20 A 4.0690 8.0719 119.7245 54.6955 18.2746 179.3637 21 R 4.2156 7.5021 115.3658 58.2802 30.9648 178.2404 22 S 4.7134 8.5374 112.5869 56.3326 64.9054 175.7976 23 G 3.9702 8.7443 111.2810 46.2636 0.0000 176.4769 24 E 4.0373 8.9815 122.9012 59.1743 28.8288 178.0253 25 N 4.3890 7.7974 116.0105 56.2480 38.9993 176.9731 26 F 4.5087 8.1917 121.1261 61.3605 39.6454 176.8847 27 A 3.3074 7.9370 120.4089 55.0579 17.8717 179.6023 28 R 3.7708 8.2081 115.8888 59.1330 30.1428 178.5943 29 R 4.0951 7.5057 117.0441 58.7754 30.0953 178.1687 30 I 3.6243 7.2720 117.9658 61.6465 38.1149 175.9633 31 L 4.8366 7.2141 118.5921 53.1772 43.4132 177.0805 32 T 4.2225 8.7734 113.3788 61.1945 71.0405 175.7369 33 D 4.3332 8.4856 120.8759 57.2637 40.7390 179.2416 34 S 4.1663 8.0004 114.6599 61.5543 63.0955 176.2856 35 E 4.1373 8.0298 122.2423 59.0460 29.1946 179.2627 36 L 3.9019 8.2391 119.3168 57.6123 41.4399 179.3994 37 E 3.9846 7.9449 118.7597 59.5998 29.2136 179.4487 38 Q 3.9706 7.4672 116.0925 58.7277 29.1080 178.0774 39 F 2.8589 8.0782 121.9421 61.3926 39.1266 177.0290 40 H 4.0843 8.4322 114.2566 58.4924 28.5212 177.1938 41 A 4.0681 7.3605 121.1115 53.0154 18.7463 177.7848 42 S 4.1561 6.9882 112.1753 58.2129 62.9394 173.8769 43 K 4.3917 8.4316 124.2913 56.4249 32.9171 177.0160 44 Q 4.6048 8.0689 117.7852 53.9385 29.2383 176.0925 45 Q 3.9247 7.8657 120.0483 58.7190 29.1934 178.7868 46 G 3.7177 8.0953 106.4760 47.8690 0.0000 175.9114 47 R 3.9786 7.9919 120.0751 58.7848 30.2286 178.4501 48 F 4.0246 8.4929 120.6435 61.5529 39.3942 177.0678 49 L 4.1477 8.8594 119.9358 58.0419 41.8947 178.6291 50 A 4.1302 8.3793 120.9891 55.1132 18.2246 179.8147 51 K 3.9589 8.0169 116.5638 59.6778 32.0544 179.8405 52 R 3.8414 7.7333 117.8831 59.0615 29.8878 178.7971 53 F 4.0026 8.6996 120.6481 61.3073 39.3191 177.0288 54 A 4.3923 8.5717 121.3897 54.5828 18.1471 179.3775 55 A 3.8456 8.1542 119.4074 55.3874 18.4088 180.1169 56 K 3.4400 8.2088 117.1876 59.2112 32.0959 179.5158 57 E 3.6263 8.1082 118.8845 59.2254 29.3235 179.2283 58 A 3.8639 8.0468 120.7040 55.0798 18.4441 179.4966 59 A 3.8175 7.8266 119.5665 55.2626 18.2830 180.0641 60 S 4.1826 7.7062 112.7522 61.3052 63.1255 176.9391 61 K 3.9513 7.9043 122.1851 59.1406 31.8053 179.0820 62 A 4.1588 8.1471 121.1904 55.1907 18.0282 179.6687 63 L 4.0850 7.7543 116.7473 56.0859 41.7134 178.4849 64 G 4.0137 8.0158 106.0882 45.2793 0.0000 173.7353 65 T 4.2875 7.6066 108.8978 59.9955 70.9477 175.6183 66 G 3.9906 7.8163 110.5782 45.6818 0.0000 173.7291 67 I 3.8267 7.8508 118.1022 59.4365 35.7120 174.6194 68 A 4.1813 8.3829 127.1251 52.2726 22.5775 176.1991 69 Q 3.5691 9.8104 114.8025 57.1951 26.0208 175.6014 70 G 3.8887 8.5051 105.3661 45.1932 0.0000 174.3170 71 V 4.0368 7.6730 121.2311 62.1286 32.3253 175.0947 72 T 4.8260 8.5419 116.5161 59.2208 71.7968 175.0165 73 F 4.3931 8.5737 119.9369 61.0816 38.9709 177.3641 74 H 4.6333 7.8347 116.1285 57.7887 28.5422 175.9697 75 D 4.4127 8.0049 118.6618 54.6641 40.8578 175.4544 76 F 5.1854 7.8224 117.7768 55.7982 41.9389 174.8189 77 T 4.8326 9.0310 119.4563 61.8853 71.8905 172.7966 78 I 4.8522 9.1271 128.2218 60.0873 38.8536 175.2082 79 S 5.0189 8.8290 122.1276 57.1362 66.5676 172.4469 80 H 5.2619 8.5722 114.7702 54.5333 32.6649 173.4005 81 D 4.7492 8.6579 122.6127 52.1288 41.1171 176.9335 82 K 4.0093 8.5471 119.0562 59.1695 32.1722 177.4961 83 L 4.3231 8.0415 116.1373 54.6016 42.0006 177.1544 84 G 4.0028 8.1014 107.6850 44.4098 0.0000 173.9633 85 K 4.2289 8.2864 122.9047 55.8030 33.1259 174.3880 86 P 4.8076 0.0000 0.0000 62.6542 32.5798 175.4143 87 L 4.8212 8.8874 121.5827 52.8634 45.5116 175.0246 88 L 5.0277 8.5802 124.7130 53.4810 43.9079 175.1852 89 I 4.5624 8.7513 127.5051 59.5845 39.6733 174.8048 90 L 5.0360 8.5020 126.4744 53.7085 43.2174 175.6413 91 S 4.3737 8.5847 116.2302 57.1161 67.1409 174.2319 92 G 4.0226 8.6564 106.8039 45.4647 0.0000 175.6015 93 Q 4.0739 8.5170 118.4984 58.9237 28.9791 178.3709 94 A 3.8521 7.9021 121.3622 55.0638 18.4065 179.2808 95 A 3.8736 7.7058 119.2287 55.2436 18.3985 179.7692 96 E 3.8909 8.0118 117.0572 59.5135 29.5217 179.5529 97 L 3.9571 8.2830 119.2113 57.7432 41.6425 179.4596 98 A 3.9797 8.2070 120.8773 55.1411 18.3237 179.6217 99 S 4.0374 8.2125 111.6825 61.6861 62.2493 176.4474 100 Q 4.0411 7.8663 119.7084 58.7587 28.5674 177.9979 101 L 4.2138 7.9426 117.0889 54.4082 42.0103 176.7213 102 Q 3.5893 7.9730 116.9915 56.6802 26.6263 174.0793 103 V 3.8871 8.1483 118.1819 63.2267 31.9683 175.0728 104 E 4.7197 8.9804 125.6658 56.3839 32.2645 176.1178 105 N 5.0204 8.0133 116.1473 51.3891 42.9943 173.3562 106 I 4.9024 8.3534 123.3926 59.7427 40.1915 174.5583 107 H 5.0168 9.2943 123.6333 53.8570 32.0937 172.5083 108 L 5.2445 8.5362 123.6446 53.4043 45.2442 175.2545 109 S 4.8299 9.0074 119.3193 56.6417 66.1245 172.5499 110 I 4.9825 8.2897 124.7972 59.8251 40.5497 174.7213 111 S 4.6867 8.3986 117.8140 56.9817 65.4728 172.5394 112 D 5.0310 8.3842 123.9011 51.7041 42.4970 174.5805 113 E 4.8365 8.7077 118.4574 54.8468 32.2813 174.6850 114 R 3.9539 8.0341 118.0748 59.9889 30.1104 178.0351 115 H 4.6110 8.5460 112.3557 55.6850 30.7430 173.4705 116 Y 5.3292 7.9522 115.9449 56.0553 42.1233 174.5495 117 A 5.3922 9.1439 123.6686 49.2374 22.9658 174.9390 *119 A 4.5354 8.2125 119.0466 52.5007 20.5580 175.9860 120 T 5.1120 8.4824 114.9583 61.8068 73.0881 173.4158 121 V 5.0044 8.9157 124.6788 61.1759 35.2519 174.1785 122 I 5.0194 8.9368 127.4141 59.5214 40.9856 174.1423 123 L 5.2528 8.8506 126.7218 52.9546 44.0058 175.4060 124 E 5.1001 9.3840 121.4506 54.3061 33.6274 176.2518 125 R 4.2807 8.3825 116.1005 56.4326 29.7425 175.5219 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 0 A 8.16 5.19 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 *2 I 7.85 4.05 1.87 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 1.42 0.59 0.97 0.00 0.00 3 V 8.69 4.13 2.08 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 0.64 0.00 0.00 0.99 0.00 0.00 4 G 7.48 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 5 L 8.57 5.27 0.00 1.58 1.48 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.16 4.31 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 0.00 7 T 8.22 5.25 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 1.19 0.00 0.00 8 D 8.68 4.70 0.00 2.77 2.54 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 0.00 0.00 0.00 0.00 9 I 8.50 5.03 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.92 0.00 0.00 10 A 9.34 4.94 1.40 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 0.00 0.00 11 E 8.87 4.47 0.00 2.16 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 0.00 2.23 2.00 0.00 12 I 8.61 3.73 1.79 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 1.42 0.53 0.91 0.00 0.00 13 E 8.06 4.08 0.00 1.99 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 2.35 2.38 0.00 14 R 7.69 3.85 0.00 2.00 1.88 0.00 3.28 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 15 V 7.66 3.63 2.26 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 1.33 0.00 0.00 0.93 0.00 0.00 16 E 8.38 4.02 0.00 2.21 1.99 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 2.36 2.48 0.00 17 K 8.36 3.96 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.61 7.81 18 A 7.89 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.31 4.15 0.00 1.97 1.87 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.07 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 4.22 0.00 1.70 1.95 0.00 3.05 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 22 S 8.54 4.71 0.00 3.89 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 23 G 8.74 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 24 E 8.98 4.04 0.00 2.04 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 0.00 2.48 2.42 0.00 25 N 7.80 4.39 0.00 2.89 2.95 0.00 0.00 6.98 7.73 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 26 F 8.19 4.51 0.00 2.98 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 27 A 7.94 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.21 3.77 0.00 1.84 2.00 0.00 3.28 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 29 R 7.51 4.10 0.00 2.04 2.01 0.00 3.35 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 30 I 7.27 3.62 1.43 0.00 0.00 -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 1.14 0.15 0.63 0.00 0.00 31 L 7.21 4.84 0.00 1.49 1.52 0.53 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.77 4.22 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 1.32 0.00 0.00 33 D 8.49 4.33 0.00 2.73 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 34 S 8.00 4.17 0.00 4.08 4.14 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 35 E 8.03 4.14 0.00 2.22 2.20 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 2.43 2.42 0.00 36 L 8.24 3.90 0.00 1.82 1.60 0.92 0.84 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 37 E 7.94 3.98 0.00 2.15 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 2.36 2.62 0.00 38 Q 7.47 3.97 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 39 F 8.08 2.86 0.00 2.54 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 40 H 8.43 4.08 0.00 3.25 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.36 4.07 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 42 S 6.99 4.16 0.00 3.62 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 43 K 8.43 4.39 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.38 7.81 44 Q 8.07 4.60 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 45 Q 7.87 3.92 0.00 1.85 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.45 2.10 0.00 46 G 8.10 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 47 R 7.99 3.98 0.00 2.06 2.03 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 48 F 8.49 4.02 0.00 3.24 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 4.15 0.00 2.12 1.85 0.60 0.58 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 50 A 8.38 4.13 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 51 K 8.02 3.96 0.00 1.89 1.79 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.60 7.81 52 R 7.73 3.84 0.00 1.95 1.97 0.00 3.25 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 53 F 8.70 4.00 0.00 3.10 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 54 A 8.57 4.39 1.43 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 0.00 0.00 55 A 8.15 3.85 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 56 K 8.21 3.44 0.00 1.86 1.77 0.00 1.85 0.00 0.00 2.15 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.68 7.81 57 E 8.11 3.63 0.00 1.96 1.81 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 1.79 1.64 0.00 58 A 8.05 3.86 1.34 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 0.00 0.00 0.00 59 A 7.83 3.82 0.88 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 0.00 0.00 60 S 7.71 4.18 0.00 4.12 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 61 K 7.90 3.95 0.00 1.93 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.55 7.81 62 A 8.15 4.16 1.37 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 0.00 0.00 0.00 63 L 7.75 4.09 0.00 1.90 1.78 1.08 1.05 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 64 G 8.02 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 0.00 0.00 0.00 65 T 7.61 4.29 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 66 G 7.82 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 0.00 0.00 0.00 67 I 7.85 3.83 1.65 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.03 0.59 0.00 0.00 68 A 8.38 4.18 1.20 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 0.00 0.00 69 Q 9.81 3.57 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.51 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 71 V 7.67 4.04 2.21 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 1.01 0.00 0.00 0.90 0.00 0.00 72 T 8.54 4.83 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 1.25 0.00 0.00 73 F 8.57 4.39 0.00 3.25 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.63 0.00 3.14 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.00 4.41 0.00 2.03 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 0.00 0.00 0.00 76 F 7.82 5.19 0.00 2.97 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 77 T 9.03 4.83 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 78 I 9.13 4.85 1.85 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 1.24 0.39 0.79 0.00 0.00 79 S 8.83 5.02 0.00 3.86 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 80 H 8.57 5.26 0.00 3.09 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.66 4.75 0.00 2.92 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 82 K 8.55 4.01 0.00 1.75 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 L 8.04 4.32 0.00 1.68 1.69 0.93 1.00 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 84 G 8.10 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 85 K 8.29 4.23 0.00 1.89 2.00 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 86 P 0.00 4.81 0.00 2.05 1.97 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 87 L 8.89 4.82 0.00 1.50 1.54 0.95 0.44 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 88 L 8.58 5.03 0.00 1.62 1.56 1.09 1.05 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 89 I 8.75 4.56 1.89 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 1.23 0.42 0.91 0.00 0.00 90 L 8.50 5.04 0.00 1.48 1.47 0.99 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 91 S 8.58 4.37 0.00 3.74 3.88 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 92 G 8.66 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 93 Q 8.52 4.07 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 94 A 7.90 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.71 3.87 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 96 E 8.01 3.89 0.00 2.16 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 2.30 2.44 0.00 97 L 8.28 3.96 0.00 1.78 1.71 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.21 3.98 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 99 S 8.21 4.04 0.00 3.89 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 0.00 100 Q 7.87 4.04 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 101 L 7.94 4.21 0.00 1.76 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.97 3.59 0.00 2.22 2.20 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 2.28 2.45 0.00 103 V 8.15 3.89 2.15 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 0.75 0.00 0.00 0.96 0.00 0.00 104 E 8.98 4.72 0.00 1.84 1.93 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 2.22 2.40 0.00 105 N 8.01 5.02 0.00 2.72 2.54 0.00 0.00 6.95 7.25 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 0.00 106 I 8.35 4.90 1.84 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 1.34 0.59 0.91 0.00 0.00 107 H 9.29 5.02 0.00 3.01 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.54 5.24 0.00 1.56 1.46 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.01 4.83 0.00 3.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 4.98 1.86 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 1.20 0.76 0.90 0.00 0.00 111 S 8.40 4.69 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 5.03 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.84 0.00 2.04 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 2.28 2.37 0.00 114 R 8.03 3.95 0.00 1.69 1.90 0.00 3.13 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.49 0.00 115 H 8.55 4.61 0.00 2.97 2.65 0.00 5.61 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 0.00 116 Y 7.95 5.33 0.00 2.94 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 0.00 117 A 9.14 5.39 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 *119 A 8.21 4.54 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 0.00 120 T 8.48 5.11 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 1.27 0.00 0.00 121 V 8.92 5.00 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 1.09 0.00 0.00 0.89 0.00 0.00 122 I 8.94 5.02 1.92 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 1.23 0.68 0.99 0.00 0.00 123 L 8.85 5.25 0.00 1.59 1.56 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.38 5.10 0.00 1.98 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 0.00 2.39 2.24 0.00 125 R 8.38 4.28 0.00 2.14 2.02 0.00 3.13 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.